A0A077ZCE8_TRITR Loading...

Mevalonate kinase family protein

AlphaFold DB , UniProt , Accession A0A077ZCE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M34.2Very low38.5Very low7 Ų725.8 Ų25.83%0.03414%0.137CC..  0154.50-87.5-177.3-87.300108.2I20 L22 L138 L144 A149M1-I20 HydrophobicContact CB-CG1 4.16Å; M1-I20 VanDerWaalsContact O-CG1 3.3Å; M1-I20 WeakPolarHBondContact O-CG1 3.39Å; M1-I20 PolarHBondContact O-N 3.29Å; M1-L22 WeakPolarHBondContact CB-O 3.07Å; M1-L22 HydrophobicContact CE-CB 4.05Å; M1-L22 VanDerWaalsContact CE-O 3.25Å; M1-L22 WeakPolarHBondContact CE-O 3.35Å; M1-L22 PolarHBondContact N-O 3.4Å; M1-L138 HydrophobicContact CE-CB 3.64Å; M1-L138 HydrophobicContact CE-CD1 3.97Å; M1-L138 HydrophobicContact CE-CG 3.91Å; M1-L138 HydrophobicContact SD-CB 3.89Å; M1-L138 HydrophobicContact SD-CD1 3.9Å; M1-L138 HydrophobicContact SD-CG 4.34Å; M1-L144 CarbonylContact C-O 3.51Å; M1-L144 VanDerWaalsContact CA-O 3.28Å; M1-L144 WeakPolarHBondContact CA-O 3.3Å; M1-L144 HydrophobicContact CB-CB 4.4Å; M1-L144 WeakPolarHBondContact CB-O 3.23Å; M1-L144 VanDerWaalsContact CG-O 3.26Å; M1-L144 WeakPolarHBondContact CG-O 3.3Å; M1-L144 HydrophobicContact SD-CB 4.45Å; M1-A149 HydrophobicContact CG-CB 4.36Å
2S32.1Very low39.7Very low0 Ų029.9 Ų29.90%018%0.177CC..  trans-130.8118.9-174.935.70000112.3E4 G18 L144 G145 D206S2-E4 PolarHBondContact O-N 3.34Å; S2-G18 WeakPolarHBondContact CA-O 3.49Å; S2-G18 WeakPolarHBondContact CB-O 3.33Å; S2-L144 PolarHBondContact N-O 3.4Å; S2-L144 CarbonylContact O-C 3.51Å; S2-L144 VanDerWaalsContact O-CA 3.22Å; S2-L144 WeakPolarHBondContact O-CA 3.47Å; S2-G145 PolarHBondContact O-N 2.96Å; S2-D206 PolarHBondContact OG-OD1 2.92Å
3P36.5Very low42.4Very low8 Ų827.7 Ų27.75%0.05216%0.164CC..  trans-69.7114.1158.425.5-36000109.1G18 I20 L144 T361 F370P3-G18 WeakPolarHBondContact CD-O 3.33Å; P3-G18 PolarHBondContact O-N 3.09Å; P3-I20 VanDerWaalsContact CD-CG1 3.48Å; P3-I20 VanDerWaalsContact CD-CG2 3.44Å; P3-I20 HydrophobicContact CG-CD1 4.45Å; P3-I20 HydrophobicContact CG-CG1 4.48Å; P3-I20 HydrophobicContact CG-CG2 3.58Å; P3-L144 HydrophobicContact CB-CD2 4.25Å; P3-T361 HydrophobicContact CB-CG2 4.33Å; P3-F370 HydrophobicContact CB-CD1 3.91Å; P3-F370 HydrophobicContact CB-CE1 4.38Å; P3-F370 HydrophobicContact CB-CG 4.44Å
4E40.3Very low45.4Very low12 Ų1226.4 Ų26.46%0.05616%0.157CC..BIsolated β-bridgetrans-80.5125172.4-62-179.2133.800109.8S2 E7 A17 D206S2-E4 PolarHBondContact O-N 3.34Å; E4-E7 WeakPolarHBondContact OE2-CG 3.41Å; E4-A17 HydrophobicContact CG-CB 4.46Å; E4-D206 WeakPolarHBondContact CG-OD1 3.43Å
5F38.3Very low48Very low12 Ų1224.8 Ų24.85%0.05315%0.148CC..SBendtrans-70.9-32.4176.3-113.3-100.4000111.3V16 F323 C327 K359 F370 F372F5-V16 WeakPolarHBondContact CA-O 3.27Å; F5-V16 HydrophobicContact CB-CB 3.88Å; F5-V16 WeakPolarHBondContact CB-O 3.45Å; F5-V16 HydrophobicContact CG-CB 4.42Å; F5-V16 PolarHBondContact N-O 3.09Å; F5-F323 HydrophobicContact CD1-CZ 4.48Å; F5-F323 HydrophobicContact CD2-CZ 4.43Å; F5-F323 HydrophobicContact CE1-CE1 4.11Å; F5-F323 HydrophobicContact CE1-CE2 4.12Å; F5-F323 AromaticContact CE1-CZ 3.57Å; F5-F323 HydrophobicContact CE1-CZ 3.57Å; F5-F323 AromaticContact CE2-CE1 3.74Å; F5-F323 HydrophobicContact CE2-CE1 3.74Å; F5-F323 AromaticContact CE2-CZ 3.51Å; F5-F323 HydrophobicContact CE2-CZ 3.51Å; F5-F323 HydrophobicContact CZ-CD1 4.23Å; F5-F323 AromaticContact CZ-CE1 3.21Å; F5-F323 HydrophobicContact CZ-CE1 3.21Å; F5-F323 AromaticContact CZ-CE2 3.97Å; F5-F323 HydrophobicContact CZ-CE2 3.97Å; F5-F323 AromaticContact CZ-CZ 3Å; F5-F323 HydrophobicContact CZ-CZ 3Å; F5-C327 WeakPolarHBondContact CZ-SG 3.37Å; F5-K359 HydrophobicContact CD1-CD 4.37Å; F5-K359 WeakPolarHBondContact O-CE 3.33Å; F5-K359 PolarHBondContact O-NZ 3.02Å; F5-F370 HydrophobicContact CD1-CZ 4.1Å; F5-F370 HydrophobicContact CD2-CE1 4.25Å; F5-F370 AromaticContact CD2-CE2 3.95Å; F5-F370 HydrophobicContact CD2-CE2 3.95Å; F5-F370 AromaticContact CD2-CZ 3.45Å; F5-F370 HydrophobicContact CD2-CZ 3.45Å; F5-F370 VanDerWaalsContact CD2-CZ 3.45Å; F5-F370 HydrophobicContact CE1-CE2 4.07Å; F5-F370 AromaticContact CE1-CZ 3.93Å; F5-F370 HydrophobicContact CE1-CZ 3.93Å; F5-F370 HydrophobicContact CE2-CD2 4.25Å; F5-F370 HydrophobicContact CE2-CE1 4.32Å; F5-F370 AromaticContact CE2-CE2 3.23Å; F5-F370 HydrophobicContact CE2-CE2 3.23Å; F5-F370 AromaticContact CE2-CZ 3.25Å; F5-F370 HydrophobicContact CE2-CZ 3.25Å; F5-F370 AromaticContact CG-CZ 3.86Å; F5-F370 HydrophobicContact CG-CZ 3.86Å; F5-F370 HydrophobicContact CZ-CD2 4.47Å; F5-F370 AromaticContact CZ-CE2 3.28Å; F5-F370 HydrophobicContact CZ-CE2 3.28Å; F5-F370 AromaticContact CZ-CZ 3.48Å; F5-F370 HydrophobicContact CZ-CZ 3.48Å; F5-F370 VanDerWaalsContact CZ-CZ 3.48Å; F5-F372 AromaticContact CE2-CE2 3.79Å; F5-F372 HydrophobicContact CE2-CE2 3.79Å; F5-F372 HydrophobicContact CE2-CZ 4.1Å; F5-F372 AromaticContact CZ-CE2 3.72Å; F5-F372 HydrophobicContact CZ-CE2 3.72Å; F5-F372 HydrophobicContact CZ-CZ 4.42Å
6V36.7Very low50.4Low4 Ų423.3 Ų23.32%0.02414%0.139CC..  trans-154.5100.3-179.7178.30000111.4V9 A15 I271 S275V6-V9 HydrophobicContact CG1-CB 3.64Å; V6-V9 HydrophobicContact CG1-CG2 3.49Å; V6-V9 VanDerWaalsContact CG1-CG2 3.49Å; V6-V9 VanDerWaalsContact CG1-N 3.32Å; V6-A15 HydrophobicContact CB-CB 4.5Å; V6-A15 WeakPolarHBondContact O-CB 3.48Å; V6-I271 HydrophobicContact CG1-CG2 3.92Å; V6-I271 HydrophobicContact CG2-CG2 3.84Å; V6-S275 WeakPolarHBondContact CG2-OG 3.26Å
7E39.4Very low52.5Low70 Ų7021.9 Ų21.933%0.32713%0.131SC..SBendtrans-86.4-25159-128.7-171.5168.700110.6E4 V9 A10 R244E4-E7 WeakPolarHBondContact OE2-CG 3.41Å; E7-V9 PolarHBondContact O-N 3.39Å; E7-V9 VanDerWaalsContact O-N 3.13Å; E7-A10 VanDerWaalsContact O-CB 3.3Å; E7-A10 WeakPolarHBondContact O-CB 3.47Å; E7-A10 PolarHBondContact O-N 3.4Å; E7-R244 IonicContact OE2-NH1 3.47Å
8H40.8Very low54.4Low18 Ų1820.9 Ų20.98%0.08313%0.126CC..THydrogen-bonded Turntrans-62.2-25-173.8-72.1-70.7000115L334 G362 A363H8-L334 HydrophobicContact CB-CD2 3.89Å; H8-L334 WeakPolarHBondContact CD2-CD2 3.28Å; H8-G362 PolarHBondContact CD2-O 3.47Å; H8-G362 VanDerWaalsContact CD2-O 3.24Å; H8-G362 PolarHBondContact NE2-O 3.47Å; H8-A363 WeakPolarHBondContact CE1-CA 3.42Å; H8-A363 PolarHBondContact CE1-O 2.99Å; H8-A363 VanDerWaalsContact NE2-C 3.31Å; H8-A363 WeakPolarHBondContact NE2-CA 3.27Å
9V37.2Very low56Low5 Ų520 Ų203%0.0312%0.12CC..THydrogen-bonded Turntrans-110.611.5176.2-152.70000111.5V6 E7 I11 A12 G13 F268 I271V6-V9 HydrophobicContact CG1-CB 3.64Å; V6-V9 HydrophobicContact CG1-CG2 3.49Å; V6-V9 VanDerWaalsContact CG1-CG2 3.49Å; V6-V9 VanDerWaalsContact CG1-N 3.32Å; E7-V9 PolarHBondContact O-N 3.39Å; E7-V9 VanDerWaalsContact O-N 3.13Å; V9-I11 PolarHBondContact O-N 3.36Å; V9-A12 PolarHBondContact O-N 3.04Å; V9-G13 VanDerWaalsContact CG1-CA 3.5Å; V9-G13 PolarHBondContact O-N 3.27Å; V9-F268 HydrophobicContact CG1-CB 4.33Å; V9-F268 HydrophobicContact CG2-CD1 4.25Å; V9-I271 HydrophobicContact CG2-CB 3.68Å; V9-I271 HydrophobicContact CG2-CD1 4.44Å; V9-I271 HydrophobicContact CG2-CG2 3.33Å
10A38.8Very low57.4Low28 Ų2819 Ų1923%0.23111%0.114CC..THydrogen-bonded Turntrans-60.6-8.2173.200000113.1E7E7-A10 VanDerWaalsContact O-CB 3.3Å; E7-A10 WeakPolarHBondContact O-CB 3.47Å; E7-A10 PolarHBondContact O-N 3.4Å
11I48.8Very low58.5Low120 Ų12020.8 Ų20.862%0.61512%0.123SC*.THydrogen-bonded Turntrans-77.5-22.6171-58.4178.5000112.4V9V9-I11 PolarHBondContact O-N 3.36Å
12A53.4Low60.8Low75 Ų7521 Ų2162%0.6213%0.125SC*.THydrogen-bonded Turntrans-160.4-2.9-179.300000117.8V9V9-A12 PolarHBondContact O-N 3.04Å
13G75.2Confident63.4Low1 Ų122.9 Ų22.91%0.0113%0.131CC..SBendtrans-131.3-174-16700000113.6V9 D272V9-G13 VanDerWaalsContact CG1-CA 3.5Å; V9-G13 PolarHBondContact O-N 3.27Å; G13-D272 VanDerWaalsContact CA-OD1 3.31Å; G13-D272 WeakPolarHBondContact CA-OD1 3.39Å
14T84.2Confident65.9Low9 Ų923.1 Ų23.16%0.05513%0.133CC..EExtended strand (participates in β ladder)trans-81.1129.8-176.3-49.40000109.9Y218 R219 D272 S275 R276 V279T14-Y218 CarbonylContact C-O 3.57Å; T14-Y218 WeakPolarHBondContact CA-O 3.46Å; T14-R219 PolarHBondContact OG1-NH1 2.94Å; T14-D272 WeakPolarHBondContact CB-OD1 3.22Å; T14-D272 PolarHBondContact N-OD1 3.24Å; T14-D272 PolarHBondContact OG1-OD1 3.34Å; T14-S275 WeakPolarHBondContact O-CB 3.49Å; T14-S275 PolarHBondContact O-OG 3.36Å; T14-R276 HydrophobicContact CG2-CG 4.37Å; T14-V279 HydrophobicContact CG2-CG2 4.37Å
15A84.7Confident68.3Low3 Ų323.9 Ų23.93%0.02514%0.136CC..EExtended strand (participates in β ladder)trans-113.3147170.600000109.2V6 L205 S217 Y218V6-A15 HydrophobicContact CB-CB 4.5Å; V6-A15 WeakPolarHBondContact O-CB 3.48Å; A15-L205 HydrophobicContact CB-CD2 3.98Å; A15-S217 CarbonylContact O-C 3.58Å; A15-S217 VanDerWaalsContact O-CA 3.26Å; A15-S217 WeakPolarHBondContact O-CA 3.35Å; A15-Y218 PolarHBondContact N-O 3.48Å; A15-Y218 PolarHBondContact O-N 3.43Å
16V85.7Confident70.9Confident1 Ų125.2 Ų25.21%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-122.2142.6169.8-174.80000106.7F5 V215 A216 L227 V279 L282F5-V16 WeakPolarHBondContact CA-O 3.27Å; F5-V16 HydrophobicContact CB-CB 3.88Å; F5-V16 WeakPolarHBondContact CB-O 3.45Å; F5-V16 HydrophobicContact CG-CB 4.42Å; F5-V16 PolarHBondContact N-O 3.09Å; V16-V215 HydrophobicContact CG1-CG1 3.83Å; V16-A216 CarbonylContact C-O 3.33Å; V16-A216 WeakPolarHBondContact CA-O 3.37Å; V16-L227 HydrophobicContact CG1-CD1 4.43Å; V16-V279 HydrophobicContact CG2-CG2 3.46Å; V16-V279 VanDerWaalsContact CG2-CG2 3.46Å; V16-L282 HydrophobicContact CG1-CD1 4.06Å
17A86.5Confident73.6Confident0 Ų027 Ų270%015%0.152CC..EExtended strand (participates in β ladder)trans-142.6137.5172.800000109.2E4 L205 I209 V215 A216E4-A17 HydrophobicContact CG-CB 4.46Å; A17-L205 HydrophobicContact CB-CD1 4.08Å; A17-L205 HydrophobicContact CB-CD2 3.64Å; A17-L205 HydrophobicContact CB-CG 3.72Å; A17-I209 HydrophobicContact CB-CD1 4.35Å; A17-I209 HydrophobicContact CB-CG1 3.81Å; A17-I209 VanDerWaalsContact O-CD1 3.3Å; A17-I209 WeakPolarHBondContact O-CD1 3.24Å; A17-V215 CarbonylContact O-C 3.55Å; A17-V215 VanDerWaalsContact O-CA 3.32Å; A17-V215 WeakPolarHBondContact O-CA 3.21Å; A17-V215 WeakPolarHBondContact O-CG1 3.34Å; A17-A216 PolarHBondContact N-O 3.2Å; A17-A216 PolarHBondContact O-N 3.11Å
18G85.7Confident76.1Confident4 Ų425.6 Ų25.64%0.04115%0.147CC..EExtended strand (participates in β ladder)trans-115.4141.8175.700000110.3S2 P3S2-G18 WeakPolarHBondContact CA-O 3.49Å; S2-G18 WeakPolarHBondContact CB-O 3.33Å; P3-G18 WeakPolarHBondContact CD-O 3.33Å; P3-G18 PolarHBondContact O-N 3.09Å
19C86.1Confident78.4Confident3 Ų331 Ų312%0.0217%0.17CC..  trans-64.7140.1164.6-1670000108.2I209 G214 G402C19-I209 HydrophobicContact CB-CG2 3.78Å; C19-G214 PolarHBondContact N-O 3.07Å; C19-G402 WeakPolarHBondContact O-CA 3.43Å; C19-G402 PolarHBondContact O-N 2.88Å
20I84.1Confident80.9Confident0 Ų034.4 Ų34.40%019%0.191CC..BIsolated β-bridgetrans-115.9138.6163.453.7172.5000107.4M1 P3 L22 L144 L237 P399 K400M1-I20 HydrophobicContact CB-CG1 4.16Å; M1-I20 VanDerWaalsContact O-CG1 3.3Å; M1-I20 WeakPolarHBondContact O-CG1 3.39Å; M1-I20 PolarHBondContact O-N 3.29Å; P3-I20 VanDerWaalsContact CD-CG1 3.48Å; P3-I20 VanDerWaalsContact CD-CG2 3.44Å; P3-I20 HydrophobicContact CG-CD1 4.45Å; P3-I20 HydrophobicContact CG-CG1 4.48Å; P3-I20 HydrophobicContact CG-CG2 3.58Å; I20-L22 HydrophobicContact CD1-CD1 4.09Å; I20-L22 PolarHBondContact O-N 2.97Å; I20-L144 HydrophobicContact CD1-CD1 4.39Å; I20-L144 HydrophobicContact CD1-CD2 4.26Å; I20-L237 HydrophobicContact CD1-CD2 4.01Å; I20-P399 HydrophobicContact CB-CB 3.87Å; I20-P399 HydrophobicContact CB-CG 4.04Å; I20-P399 HydrophobicContact CD1-CG 4.33Å; I20-P399 HydrophobicContact CG2-CB 4.21Å; I20-P399 HydrophobicContact CG2-CG 3.96Å; I20-K400 WeakPolarHBondContact CA-O 3.37Å
21D78.9Confident83Confident57 Ų5734.8 Ų34.831%0.30519%0.192SC..SBendtrans-71.532.9-173.6-159.934.5000114.1R23 K400D21-R23 IonicContact OD1-CZ 2.8Å; D21-R23 VanDerWaalsContact OD1-CZ 3.25Å; D21-R23 IonicContact OD1-NE 3.77Å; D21-R23 PolarHBondContact OD1-NE 3.41Å; D21-R23 IonicContact OD1-NH2 3.95Å; D21-R23 PolarHBondContact OD1-NH2 3.3Å; D21-K400 HydrophobicContact CB-CB 4.34Å; D21-K400 PolarHBondContact N-O 2.74Å
22L82.5Confident84.6Confident12 Ų1234.1 Ų34.16%0.06321%0.205CC..  trans-97.4102.9168.2-62175.2000107.4M1 I20 K137 L138 L237 W397 P399M1-L22 WeakPolarHBondContact CB-O 3.07Å; M1-L22 HydrophobicContact CE-CB 4.05Å; M1-L22 VanDerWaalsContact CE-O 3.25Å; M1-L22 WeakPolarHBondContact CE-O 3.35Å; M1-L22 PolarHBondContact N-O 3.4Å; I20-L22 HydrophobicContact CD1-CD1 4.09Å; I20-L22 PolarHBondContact O-N 2.97Å; L22-K137 HydrophobicContact CD2-CD 3.98Å; L22-K137 HydrophobicContact CD2-CG 4.21Å; L22-L138 HydrophobicContact CB-CD1 3.81Å; L22-L138 HydrophobicContact CB-CG 3.99Å; L22-L138 HydrophobicContact CD1-CD1 3.37Å; L22-L138 HydrophobicContact CD1-CD2 3.84Å; L22-L138 HydrophobicContact CD1-CG 3.71Å; L22-L138 HydrophobicContact CG-CD1 4.17Å; L22-L138 HydrophobicContact CG-CG 4.32Å; L22-L237 HydrophobicContact CD1-CD2 3.87Å; L22-W397 HydrophobicContact CD1-CB 4.4Å; L22-P399 HydrophobicContact CD1-CB 3.89Å; L22-P399 HydrophobicContact CD1-CG 4.17Å; L22-P399 HydrophobicContact CG-CB 3.94Å
23R86.7Confident86.3Confident38 Ų3834.1 Ų34.114%0.14319%0.194CC..  trans-91.6152.8-164.5-61.8-71.9178.2174.5-9.5112.7D21 Y25 K137 N404 G405D21-R23 IonicContact OD1-CZ 2.8Å; D21-R23 VanDerWaalsContact OD1-CZ 3.25Å; D21-R23 IonicContact OD1-NE 3.77Å; D21-R23 PolarHBondContact OD1-NE 3.41Å; D21-R23 IonicContact OD1-NH2 3.95Å; D21-R23 PolarHBondContact OD1-NH2 3.3Å; R23-Y25 HydrophobicContact CB-CD2 4.32Å; R23-Y25 HydrophobicContact CB-CE1 4.02Å; R23-Y25 HydrophobicContact CB-CE2 3.67Å; R23-K137 WeakPolarHBondContact O-CB 3.46Å; R23-K137 PolarHBondContact O-N 2.93Å; R23-N404 PolarHBondContact NH1-O 3.37Å; R23-N404 PolarHBondContact NH2-O 3.08Å; R23-G405 PolarHBondContact NH1-O 3.27Å
24T90Very high86.9Confident14 Ų1435.6 Ų35.69%0.08621%0.209CC..EExtended strand (participates in β ladder)trans-103.9134.3162.3-60.50000107.1V134 F136 A149 C153T24-V134 HydrophobicContact CG2-CG1 3.4Å; T24-F136 HydrophobicContact CG2-CD1 3.83Å; T24-F136 HydrophobicContact CG2-CE1 3.83Å; T24-F136 WeakPolarHBondContact OG1-CD1 3.17Å; T24-A149 WeakPolarHBondContact OG1-CB 3.48Å; T24-C153 PolarHBondContact O-SG 2.8Å; T24-C153 VanDerWaalsContact O-SG 3.4Å
25Y90.7Very high87.3Confident28 Ų2840.5 Ų40.511%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-117.3130.1-176.5-62.9-79.6000110.2R23 V134 N135 P413 V416R23-Y25 HydrophobicContact CB-CD2 4.32Å; R23-Y25 HydrophobicContact CB-CE1 4.02Å; R23-Y25 HydrophobicContact CB-CE2 3.67Å; Y25-V134 CarbonylContact O-C 3.52Å; Y25-V134 VanDerWaalsContact O-CA 3.3Å; Y25-V134 WeakPolarHBondContact O-CA 3.42Å; Y25-N135 PolarHBondContact N-O 2.96Å; Y25-N135 PolarHBondContact O-N 3.41Å; Y25-P413 HydrophobicContact CE1-CG 4.2Å; Y25-V416 HydrophobicContact CD1-CG2 3.61Å; Y25-V416 HydrophobicContact CD2-CG2 3.53Å; Y25-V416 HydrophobicContact CE1-CG2 3.59Å; Y25-V416 HydrophobicContact CE2-CG2 3.49Å; Y25-V416 VanDerWaalsContact CE2-CG2 3.49Å; Y25-V416 HydrophobicContact CG-CG2 3.56Å
26I93Very high87.8Confident40 Ų4040.3 Ų40.321%0.20523%0.226CC..EExtended strand (participates in β ladder)trans-111.8129.7173-177.4161.7000109.6V132 T133 V134 C153 I154 A157I26-V132 HydrophobicContact CD1-CG1 3.58Å; I26-V132 HydrophobicContact CG1-CG1 3.86Å; I26-T133 WeakPolarHBondContact CA-O 3.23Å; I26-V134 HydrophobicContact CB-CG2 4.27Å; I26-V134 HydrophobicContact CD1-CG2 4.07Å; I26-V134 HydrophobicContact CG1-CG2 4.06Å; I26-C153 HydrophobicContact CB-CB 3.95Å; I26-C153 HydrophobicContact CG2-CB 3.7Å; I26-I154 HydrophobicContact CD1-CG1 4.03Å; I26-A157 HydrophobicContact CD1-CB 3.67Å; I26-A157 HydrophobicContact CG1-CB 4.28Å; I26-A157 HydrophobicContact CG2-CB 4.26Å
27N92.2Very high88.3Confident42 Ų4243.1 Ų43.123%0.22524%0.236CC..EExtended strand (participates in β ladder)trans-110.8124.2166.7-68.8-41.3000107.9F29 V132 T133N27-F29 HydrophobicContact CB-CE2 4.16Å; N27-V132 WeakPolarHBondContact O-CA 3.28Å; N27-T133 PolarHBondContact N-O 3.22Å; N27-T133 PolarHBondContact O-N 2.69Å
28L92.5Very high88.7Confident39 Ų3943.1 Ų43.120%0.20424%0.236CC..EExtended strand (participates in β ladder)trans-124.6126.2178.3-174.5159.9000109.7T30 V130 K131 V132 A157 L158 V161L28-T30 HydrophobicContact CD2-CG2 4.49Å; L28-V130 HydrophobicContact CD1-CB 4.41Å; L28-V130 HydrophobicContact CD1-CG1 4.37Å; L28-V130 HydrophobicContact CD2-CB 4.22Å; L28-V130 HydrophobicContact CD2-CG1 3.92Å; L28-V130 HydrophobicContact CG-CB 4.22Å; L28-V130 HydrophobicContact CG-CG1 4.35Å; L28-K131 WeakPolarHBondContact CA-O 3.41Å; L28-V132 HydrophobicContact CB-CG2 4.32Å; L28-V132 HydrophobicContact CD1-CG2 3.78Å; L28-V132 HydrophobicContact CG-CG2 3.83Å; L28-A157 HydrophobicContact CD1-CB 3.96Å; L28-L158 HydrophobicContact CD1-CD2 3.81Å; L28-V161 HydrophobicContact CD1-CG2 3.93Å; L28-V161 HydrophobicContact CD2-CB 4.42Å; L28-V161 HydrophobicContact CD2-CG1 4.3Å; L28-V161 HydrophobicContact CD2-CG2 3.48Å; L28-V161 VanDerWaalsContact CD2-CG2 3.48Å; L28-V161 HydrophobicContact CG-CG2 4.32Å
29F90Very high89.1Confident133 Ų13343.4 Ų43.458%0.58324%0.238SC*.EExtended strand (participates in β ladder)trans-116.7140.4171.1-59-85.8000109.9N27 V130 K131N27-F29 HydrophobicContact CB-CE2 4.16Å; F29-V130 CarbonylContact O-C 3.54Å; F29-V130 VanDerWaalsContact O-CA 3.28Å; F29-V130 WeakPolarHBondContact O-CA 3.32Å; F29-K131 PolarHBondContact N-O 3.3Å; F29-K131 PolarHBondContact O-N 3.42Å
30T88.9Confident89.5Confident75 Ų7543.3 Ų43.346%0.4624%0.237SC..EExtended strand (participates in β ladder)trans-81.6141.9166.962.80000109.4L28 K128 S129 V130 V161L28-T30 HydrophobicContact CD2-CG2 4.49Å; T30-K128 HydrophobicContact CG2-CB 4.15Å; T30-K128 HydrophobicContact CG2-CD 4.4Å; T30-S129 CarbonylContact C-O 3.6Å; T30-S129 WeakPolarHBondContact CA-O 3.5Å; T30-V130 HydrophobicContact CG2-CG1 4.47Å; T30-V161 HydrophobicContact CG2-CG1 4.04Å
31S83.3Confident89.7Confident36 Ų3646.2 Ų46.225%0.25226%0.256SS..EExtended strand (participates in β ladder)trans-123.7159.2178.2179.90000109.7D33 S129S31-D33 WeakPolarHBondContact CB-OD1 3.49Å; S31-D33 PolarHBondContact OG-N 3.41Å; S31-D33 PolarHBondContact OG-OD1 3.24Å; S31-S129 VanDerWaalsContact C-OG 3.29Å; S31-S129 WeakPolarHBondContact CB-OG 3.05Å; S31-S129 PolarHBondContact N-O 2.54Å; S31-S129 PolarHBondContact O-OG 2.85Å
32A83Confident90Very high107 Ų10747.3 Ų47.388%0.88426%0.262SS*.SBendtrans-1080.3175.100000112.5G34A32-G34 PolarHBondContact O-N 2.9Å
33D88.2Confident90.2Very high74 Ų7448 Ų4840%0.39627%0.266SS..SBendtrans-78.31-177.772.4-17.7000114.2S31 R35 Y37 S129S31-D33 WeakPolarHBondContact CB-OD1 3.49Å; S31-D33 PolarHBondContact OG-N 3.41Å; S31-D33 PolarHBondContact OG-OD1 3.24Å; D33-R35 PolarHBondContact O-N 2.85Å; D33-R35 PolarHBondContact OD1-N 3.44Å; D33-R35 VanDerWaalsContact OD1-N 3.08Å; D33-Y37 WeakPolarHBondContact OD2-CE2 3.31Å; D33-Y37 PolarHBondContact OD2-OH 3.03Å; D33-S129 PolarHBondContact OD1-OG 2.66Å
34G88.6Confident90.2Very high32 Ų3249.2 Ų49.233%0.3329%0.289SS..SBendtrans69.815.7178.900000114A32 M51 S129A32-G34 PolarHBondContact O-N 2.9Å; G34-M51 VanDerWaalsContact O-CB 3.24Å; G34-M51 WeakPolarHBondContact O-CB 3.22Å; G34-M51 PolarHBondContact O-N 3.21Å; G34-S129 PolarHBondContact N-OG 2.98Å
35R92.7Very high90.3Very high112 Ų11249 Ų4942%0.42329%0.288SS..EExtended strand (participates in β ladder)trans-117.5135.9-179.8-71.1168.5-178.3-90.93.4111.5D33 Y37 T48 W49 L50 S129D33-R35 PolarHBondContact O-N 2.85Å; D33-R35 PolarHBondContact OD1-N 3.44Å; D33-R35 VanDerWaalsContact OD1-N 3.08Å; R35-Y37 HydrophobicContact CB-CD2 4.19Å; R35-Y37 HydrophobicContact CB-CE1 4.28Å; R35-Y37 HydrophobicContact CB-CE2 3.36Å; R35-Y37 VanDerWaalsContact CB-CZ 3.42Å; R35-Y37 WeakPolarHBondContact CB-OH 3.25Å; R35-Y37 WeakPolarHBondContact CD-OH 3.45Å; R35-Y37 WeakPolarHBondContact O-CE2 3.3Å; R35-T48 HydrophobicContact CB-CG2 4.05Å; R35-T48 HydrophobicContact CG-CG2 4.25Å; R35-W49 WeakPolarHBondContact CA-O 3.21Å; R35-L50 HydrophobicContact CG-CD2 3.9Å; R35-S129 WeakPolarHBondContact O-CB 3.31Å; R35-S129 PolarHBondContact O-OG 3.44Å
36V94.8Very high90.4Very high0 Ų053.8 Ų53.80%031%0.311CS..EExtended strand (participates in β ladder)trans-98.2128170.9174.70000108.6T48 W49 M51 L54 F103 L107 V130V36-T48 CarbonylContact O-C 3.53Å; V36-T48 VanDerWaalsContact O-CA 3.25Å; V36-T48 WeakPolarHBondContact O-CA 3.49Å; V36-W49 HydrophobicContact CG1-CE3 4.29Å; V36-W49 PolarHBondContact N-O 3.23Å; V36-W49 PolarHBondContact O-N 3.12Å; V36-M51 HydrophobicContact CG2-SD 3.79Å; V36-L54 HydrophobicContact CB-CD1 3.86Å; V36-L54 HydrophobicContact CG1-CD1 4.44Å; V36-L54 HydrophobicContact CG2-CD1 3.46Å; V36-L54 VanDerWaalsContact CG2-CD1 3.46Å; V36-F103 HydrophobicContact CG1-CE1 3.89Å; V36-F103 HydrophobicContact CG1-CZ 3.85Å; V36-L107 HydrophobicContact CB-CD2 4.4Å; V36-L107 HydrophobicContact CG1-CD2 3.68Å; V36-L107 HydrophobicContact CG2-CD2 4.27Å; V36-V130 CarbonylContact C-O 3.53Å; V36-V130 VanDerWaalsContact CA-O 3.23Å; V36-V130 WeakPolarHBondContact CA-O 3.2Å; V36-V130 HydrophobicContact CG1-CG2 3.88Å; V36-V130 HydrophobicContact CG2-CG2 4.31Å
37Y95.1Very high90.4Very high59 Ų5954.4 Ų54.423%0.23131%0.311CS..EExtended strand (participates in β ladder)trans-118.1135.2-179.3-55.9-94.4000110.3D33 R35 R47 T48 V130 K131 V132D33-Y37 WeakPolarHBondContact OD2-CE2 3.31Å; D33-Y37 PolarHBondContact OD2-OH 3.03Å; R35-Y37 HydrophobicContact CB-CD2 4.19Å; R35-Y37 HydrophobicContact CB-CE1 4.28Å; R35-Y37 HydrophobicContact CB-CE2 3.36Å; R35-Y37 VanDerWaalsContact CB-CZ 3.42Å; R35-Y37 WeakPolarHBondContact CB-OH 3.25Å; R35-Y37 WeakPolarHBondContact CD-OH 3.45Å; R35-Y37 WeakPolarHBondContact O-CE2 3.3Å; Y37-R47 CarbonylContact C-O 3.55Å; Y37-R47 WeakPolarHBondContact CA-O 3.45Å; Y37-T48 HydrophobicContact CD1-CG2 3.68Å; Y37-T48 WeakPolarHBondContact CD1-OG1 2.99Å; Y37-T48 HydrophobicContact CE1-CG2 3.47Å; Y37-T48 VanDerWaalsContact CE1-CG2 3.47Å; Y37-T48 WeakPolarHBondContact CE1-OG1 3.41Å; Y37-T48 HydrophobicContact CG-CG2 4.42Å; Y37-V130 PolarHBondContact N-O 3.22Å; Y37-K131 HydrophobicContact CD2-CB 4.19Å; Y37-V132 PolarHBondContact O-N 3.38Å
38L95.9Very high90.5Very high0 Ų055.6 Ų55.60%032%0.32CS..EExtended strand (participates in β ladder)trans-123.3121.9171.1178.168.4000109.3L40 E46 R47 W49 F103 V132L38-L40 HydrophobicContact CD1-CD2 3.9Å; L38-L40 HydrophobicContact CD1-CG 4.32Å; L38-L40 HydrophobicContact CD2-CD1 4.3Å; L38-L40 HydrophobicContact CD2-CG 4.47Å; L38-L40 HydrophobicContact CG-CD2 4.31Å; L38-L40 HydrophobicContact CG-CG 4.18Å; L38-E46 WeakPolarHBondContact O-CA 3.12Å; L38-R47 HydrophobicContact CB-CB 4.48Å; L38-R47 PolarHBondContact N-O 3.38Å; L38-R47 PolarHBondContact O-N 3.48Å; L38-W49 HydrophobicContact CB-CH2 4.05Å; L38-W49 HydrophobicContact CB-CZ3 3.66Å; L38-W49 HydrophobicContact CD2-CH2 4.04Å; L38-W49 HydrophobicContact CD2-CZ3 4.39Å; L38-F103 HydrophobicContact CB-CD1 4.25Å; L38-F103 HydrophobicContact CB-CE1 4.12Å; L38-F103 HydrophobicContact CB-CZ 4.42Å; L38-F103 HydrophobicContact CD1-CD1 4.39Å; L38-F103 HydrophobicContact CD1-CD2 3.8Å; L38-F103 HydrophobicContact CD1-CE2 4.03Å; L38-F103 HydrophobicContact CD1-CG 3.98Å; L38-F103 HydrophobicContact CD1-CZ 4.41Å; L38-F103 HydrophobicContact CD2-CB 3.82Å; L38-F103 HydrophobicContact CD2-CD1 3.81Å; L38-F103 HydrophobicContact CD2-CD2 4.43Å; L38-F103 HydrophobicContact CD2-CG 3.76Å; L38-F103 HydrophobicContact CG-CD1 4.38Å; L38-F103 HydrophobicContact CG-CG 4.35Å; L38-V132 WeakPolarHBondContact CA-O 3.43Å; L38-V132 HydrophobicContact CD1-CB 4.3Å; L38-V132 HydrophobicContact CD1-CG1 4.11Å
39S94.8Very high90.6Very high11 Ų1154.8 Ų54.88%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-119.8120.6176.4171.60000109.3V45 E46 V132 T133 V134S39-V45 CarbonylContact C-O 3.51Å; S39-V45 WeakPolarHBondContact CA-O 3.47Å; S39-E46 WeakPolarHBondContact CB-OE1 3.25Å; S39-E46 VanDerWaalsContact CB-OE2 3.31Å; S39-E46 WeakPolarHBondContact CB-OE2 3.23Å; S39-E46 PolarHBondContact OG-OE1 3.27Å; S39-V132 PolarHBondContact N-O 2.9Å; S39-T133 VanDerWaalsContact O-CA 3.32Å; S39-T133 WeakPolarHBondContact O-CA 3.43Å; S39-V134 PolarHBondContact O-N 3.5Å
40L93.1Very high90.7Very high0 Ų051 Ų510%030%0.3CS..EExtended strand (participates in β ladder)trans-124.881.1172.4-43.8173.1000108L38 D42 L43 G44 V45 A99 V134 Y150L38-L40 HydrophobicContact CD1-CD2 3.9Å; L38-L40 HydrophobicContact CD1-CG 4.32Å; L38-L40 HydrophobicContact CD2-CD1 4.3Å; L38-L40 HydrophobicContact CD2-CG 4.47Å; L38-L40 HydrophobicContact CG-CD2 4.31Å; L38-L40 HydrophobicContact CG-CG 4.18Å; L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 PolarHBondContact O-N 3.3Å; L40-L43 HydrophobicContact CB-CB 4.16Å; L40-L43 HydrophobicContact CB-CD1 4.44Å; L40-L43 HydrophobicContact CD1-CD1 4.06Å; L40-L43 CarbonylContact O-C 3.54Å; L40-L43 PolarHBondContact O-N 3.31Å; L40-G44 PolarHBondContact O-N 3.21Å; L40-V45 HydrophobicContact CB-CB 3.95Å; L40-V45 HydrophobicContact CB-CG2 4.47Å; L40-V45 HydrophobicContact CD1-CB 4.17Å; L40-V45 HydrophobicContact CD1-CG1 4.37Å; L40-V45 HydrophobicContact CD1-CG2 4.32Å; L40-V45 HydrophobicContact CG-CB 4.17Å; L40-V45 PolarHBondContact N-O 2.92Å; L40-V45 PolarHBondContact O-N 3.18Å; L40-V45 VanDerWaalsContact O-N 3.08Å; L40-A99 HydrophobicContact CD1-CB 3.86Å; L40-V134 HydrophobicContact CD2-CB 3.66Å; L40-V134 HydrophobicContact CD2-CG2 3.91Å; L40-Y150 HydrophobicContact CD1-CE2 4.1Å; L40-Y150 HydrophobicContact CD2-CD2 4.46Å; L40-Y150 HydrophobicContact CD2-CE2 3.58Å
41P89.9Confident90.8Very high62 Ų6248.1 Ų48.140%0.40328%0.281SS..G310 helixtrans-56.7-41.3-173-27.236.3000113.2L43 G44 T133 V134P41-L43 PolarHBondContact O-N 3Å; P41-L43 VanDerWaalsContact O-N 3.14Å; P41-G44 PolarHBondContact O-N 2.82Å; P41-T133 HydrophobicContact CG-CG2 4.36Å; P41-V134 WeakPolarHBondContact CD-O 3.32Å
42D84.6Confident91.1Very high80 Ų8052.8 Ų52.843%0.42830%0.297SS..G310 helixtrans-65.8-16.8179.9-59.1-46.4000113.6L40 F136L40-D42 VanDerWaalsContact C-N 3.29Å; L40-D42 PolarHBondContact O-N 3.3Å; D42-F136 HydrophobicContact CB-CD2 3.97Å; D42-F136 WeakPolarHBondContact OD2-CD2 3.46Å; D42-F136 PolarHBondContact OD2-N 2.81Å
43L85.6Confident91.5Very high27 Ų2750.8 Ų50.814%0.14127%0.272CS..G310 helixtrans-107.6-0.1174.2-64.8179.1000112.3L40 P41 V45 V95 Q96 A99 S140L40-L43 HydrophobicContact CB-CB 4.16Å; L40-L43 HydrophobicContact CB-CD1 4.44Å; L40-L43 HydrophobicContact CD1-CD1 4.06Å; L40-L43 CarbonylContact O-C 3.54Å; L40-L43 PolarHBondContact O-N 3.31Å; P41-L43 PolarHBondContact O-N 3Å; P41-L43 VanDerWaalsContact O-N 3.14Å; L43-V45 VanDerWaalsContact C-N 3.25Å; L43-V45 HydrophobicContact CB-CG2 3.92Å; L43-V45 PolarHBondContact O-N 3.18Å; L43-V95 HydrophobicContact CD2-CG1 4.37Å; L43-Q96 HydrophobicContact CB-CG 4.42Å; L43-Q96 WeakPolarHBondContact O-CG 3.21Å; L43-Q96 PolarHBondContact O-NE2 3.47Å; L43-A99 HydrophobicContact CD1-CB 4.3Å; L43-S140 VanDerWaalsContact CD2-OG 3.23Å; L43-S140 WeakPolarHBondContact CD2-OG 3.19Å
44G88.1Confident91.7Very high62 Ų6247.3 Ų47.364%0.63925%0.253SS*.THydrogen-bonded Turntrans62.428.8-174.300000113.8L40 P41L40-G44 PolarHBondContact O-N 3.21Å; P41-G44 PolarHBondContact O-N 2.82Å
45V90.7Very high91.7Very high9 Ų947.6 Ų47.66%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-99.4124.6-179.2179.90000110.3S39 L40 L43 R47 Q96S39-V45 CarbonylContact C-O 3.51Å; S39-V45 WeakPolarHBondContact CA-O 3.47Å; L40-V45 HydrophobicContact CB-CB 3.95Å; L40-V45 HydrophobicContact CB-CG2 4.47Å; L40-V45 HydrophobicContact CD1-CB 4.17Å; L40-V45 HydrophobicContact CD1-CG1 4.37Å; L40-V45 HydrophobicContact CD1-CG2 4.32Å; L40-V45 HydrophobicContact CG-CB 4.17Å; L40-V45 PolarHBondContact N-O 2.92Å; L40-V45 PolarHBondContact O-N 3.18Å; L40-V45 VanDerWaalsContact O-N 3.08Å; L43-V45 VanDerWaalsContact C-N 3.25Å; L43-V45 HydrophobicContact CB-CG2 3.92Å; L43-V45 PolarHBondContact O-N 3.18Å; V45-R47 HydrophobicContact CG1-CG 3.79Å; V45-Q96 HydrophobicContact CG2-CB 3.66Å; V45-Q96 HydrophobicContact CG2-CG 3.54Å
46E92.9Very high91.6Very high129 Ų12949.3 Ų49.360%0.60326%0.257SS*.EExtended strand (participates in β ladder)trans-130.7116.4164.9-70.2-67.4160.900107.9L38 S39L38-E46 WeakPolarHBondContact O-CA 3.12Å; S39-E46 WeakPolarHBondContact CB-OE1 3.25Å; S39-E46 VanDerWaalsContact CB-OE2 3.31Å; S39-E46 WeakPolarHBondContact CB-OE2 3.23Å; S39-E46 PolarHBondContact OG-OE1 3.27Å
47R93.2Very high91.3Very high54 Ų5449.5 Ų49.520%0.20426%0.259CS..EExtended strand (participates in β ladder)trans-130.7145.8-178.5-67.6-64.1-127.9-154.23.8110.9Y37 L38 V45 W49 C85Y37-R47 CarbonylContact C-O 3.55Å; Y37-R47 WeakPolarHBondContact CA-O 3.45Å; L38-R47 HydrophobicContact CB-CB 4.48Å; L38-R47 PolarHBondContact N-O 3.38Å; L38-R47 PolarHBondContact O-N 3.48Å; V45-R47 HydrophobicContact CG1-CG 3.79Å; R47-W49 HydrophobicContact CB-CE3 4.39Å; R47-W49 HydrophobicContact CB-CH2 3.33Å; R47-W49 HydrophobicContact CB-CZ2 3.59Å; R47-W49 HydrophobicContact CB-CZ3 3.76Å; R47-W49 HydrophobicContact CG-CH2 4Å; R47-W49 HydrophobicContact CG-CZ2 4Å; R47-C85 PolarHBondContact NH2-O 3.24Å
48T94.6Very high91Very high66 Ų6646.7 Ų46.741%0.40525%0.248SC..EExtended strand (participates in β ladder)trans-135.2133.6176-55.50000109.7R35 V36 Y37R35-T48 HydrophobicContact CB-CG2 4.05Å; R35-T48 HydrophobicContact CG-CG2 4.25Å; V36-T48 CarbonylContact O-C 3.53Å; V36-T48 VanDerWaalsContact O-CA 3.25Å; V36-T48 WeakPolarHBondContact O-CA 3.49Å; Y37-T48 HydrophobicContact CD1-CG2 3.68Å; Y37-T48 WeakPolarHBondContact CD1-OG1 2.99Å; Y37-T48 HydrophobicContact CE1-CG2 3.47Å; Y37-T48 VanDerWaalsContact CE1-CG2 3.47Å; Y37-T48 WeakPolarHBondContact CE1-OG1 3.41Å; Y37-T48 HydrophobicContact CG-CG2 4.42Å
49W94.5Very high90.6Very high22 Ų2250.6 Ų50.68%0.08327%0.269CS..EExtended strand (participates in β ladder)trans-126.1151.2173.5-57.4-83000110.1R35 V36 L38 R47 L54 I84 C100 F103 L104R35-W49 WeakPolarHBondContact CA-O 3.21Å; V36-W49 HydrophobicContact CG1-CE3 4.29Å; V36-W49 PolarHBondContact N-O 3.23Å; V36-W49 PolarHBondContact O-N 3.12Å; L38-W49 HydrophobicContact CB-CH2 4.05Å; L38-W49 HydrophobicContact CB-CZ3 3.66Å; L38-W49 HydrophobicContact CD2-CH2 4.04Å; L38-W49 HydrophobicContact CD2-CZ3 4.39Å; R47-W49 HydrophobicContact CB-CE3 4.39Å; R47-W49 HydrophobicContact CB-CH2 3.33Å; R47-W49 HydrophobicContact CB-CZ2 3.59Å; R47-W49 HydrophobicContact CB-CZ3 3.76Å; R47-W49 HydrophobicContact CG-CH2 4Å; R47-W49 HydrophobicContact CG-CZ2 4Å; W49-L54 HydrophobicContact CB-CD1 4.35Å; W49-L54 HydrophobicContact CB-CG 4.46Å; W49-I84 HydrophobicContact CG-CG2 4Å; W49-I84 PolarHBondContact NE1-O 2.81Å; W49-C100 HydrophobicContact CZ2-CB 4.49Å; W49-F103 HydrophobicContact CE3-CE1 4.2Å; W49-F103 HydrophobicContact CH2-CD1 4.04Å; W49-F103 HydrophobicContact CH2-CE1 4.32Å; W49-F103 AromaticContact CZ3-CD1 3.77Å; W49-F103 HydrophobicContact CZ3-CD1 3.77Å; W49-F103 AromaticContact CZ3-CE1 3.58Å; W49-F103 HydrophobicContact CZ3-CE1 3.58Å; W49-L104 HydrophobicContact CD2-CD2 3.93Å; W49-L104 HydrophobicContact CE3-CD2 4.2Å; W49-L104 HydrophobicContact CG-CD2 4.39Å; W49-L104 HydrophobicContact CH2-CD2 4.33Å; W49-L104 HydrophobicContact CH2-CG 4.3Å; W49-L104 HydrophobicContact CZ2-CD1 3.83Å; W49-L104 HydrophobicContact CZ2-CD2 4.11Å; W49-L104 HydrophobicContact CZ2-CG 4.03Å; W49-L104 HydrophobicContact CZ3-CD2 4.39Å
50L92.9Very high90.2Very high53 Ų5355.6 Ų55.628%0.27730%0.295SS..EExtended strand (participates in β ladder)trans-81.9134.6172.8-58.2172.3000109.2R35 K52 D53 L54R35-L50 HydrophobicContact CG-CD2 3.9Å; L50-K52 HydrophobicContact CB-CG 3.95Å; L50-K52 HydrophobicContact CD1-CD 4.45Å; L50-K52 VanDerWaalsContact CD1-CE 3.41Å; L50-K52 PolarHBondContact O-N 3.24Å; L50-D53 WeakPolarHBondContact CB-OD2 3.49Å; L50-D53 PolarHBondContact O-N 2.83Å; L50-L54 PolarHBondContact O-N 3.05Å
51M90.4Very high89.8Confident15 Ų1555.7 Ų55.77%0.07430%0.295CS..Hα-helixtrans-59.1-33.9179.5-168.665.6-165.500111.8G34 V36 D53 L54 L55 T111 L127G34-M51 VanDerWaalsContact O-CB 3.24Å; G34-M51 WeakPolarHBondContact O-CB 3.22Å; G34-M51 PolarHBondContact O-N 3.21Å; V36-M51 HydrophobicContact CG2-SD 3.79Å; M51-D53 VanDerWaalsContact C-N 3.26Å; M51-D53 PolarHBondContact O-N 3.23Å; M51-L54 PolarHBondContact O-N 3.39Å; M51-L54 HydrophobicContact SD-CD1 4.12Å; M51-L55 HydrophobicContact CE-CD2 4.13Å; M51-L55 HydrophobicContact CE-CG 4.26Å; M51-L55 HydrophobicContact CG-CD1 4.32Å; M51-L55 HydrophobicContact CG-CG 4.42Å; M51-L55 VanDerWaalsContact O-CG 3.27Å; M51-L55 WeakPolarHBondContact O-CG 3.41Å; M51-L55 PolarHBondContact O-N 3.2Å; M51-T111 HydrophobicContact CE-CG2 4.4Å; M51-L127 HydrophobicContact CE-CB 4.13Å; M51-L127 HydrophobicContact CE-CD2 4.17Å; M51-L127 HydrophobicContact CE-CG 4.31Å; M51-L127 WeakPolarHBondContact CE-O 3.49Å
52K90.2Very high89.1Confident134 Ų13462 Ų6258%0.58331%0.312SS*.Hα-helixtrans-58.9-35.9175.672.1-178.5-173.3-176.70112.9L50 K56L50-K52 HydrophobicContact CB-CG 3.95Å; L50-K52 HydrophobicContact CD1-CD 4.45Å; L50-K52 VanDerWaalsContact CD1-CE 3.41Å; L50-K52 PolarHBondContact O-N 3.24Å; K52-K56 PolarHBondContact O-N 3.04Å
53D91.7Very high88.4Confident66 Ų6660.4 Ų60.435%0.35330%0.302SS..Hα-helixtrans-76.8-37.6-177.8-59.8-30.3000109.5L50 M51 K56 A57L50-D53 WeakPolarHBondContact CB-OD2 3.49Å; L50-D53 PolarHBondContact O-N 2.83Å; M51-D53 VanDerWaalsContact C-N 3.26Å; M51-D53 PolarHBondContact O-N 3.23Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-A57 WeakPolarHBondContact O-CB 3.11Å; D53-A57 PolarHBondContact O-N 3.49Å
54L90.5Very high87Confident0 Ų066.3 Ų66.30%033%0.332CS..Hα-helixtrans-63.3-39.9171.6-67.9168.2000112.5V36 W49 L50 M51 A57 A58 I84 L104 L107 I108V36-L54 HydrophobicContact CB-CD1 3.86Å; V36-L54 HydrophobicContact CG1-CD1 4.44Å; V36-L54 HydrophobicContact CG2-CD1 3.46Å; V36-L54 VanDerWaalsContact CG2-CD1 3.46Å; W49-L54 HydrophobicContact CB-CD1 4.35Å; W49-L54 HydrophobicContact CB-CG 4.46Å; L50-L54 PolarHBondContact O-N 3.05Å; M51-L54 PolarHBondContact O-N 3.39Å; M51-L54 HydrophobicContact SD-CD1 4.12Å; L54-A57 WeakPolarHBondContact O-CB 3.08Å; L54-A57 PolarHBondContact O-N 3.05Å; L54-A58 WeakPolarHBondContact O-CB 3.24Å; L54-A58 PolarHBondContact O-N 3.06Å; L54-I84 HydrophobicContact CD2-CD1 4Å; L54-I84 HydrophobicContact CD2-CG2 4.37Å; L54-L104 HydrophobicContact CD2-CD2 3.77Å; L54-L107 HydrophobicContact CD1-CD2 3.58Å; L54-L107 HydrophobicContact CD1-CG 4.42Å; L54-L107 HydrophobicContact CD2-CD2 4.1Å; L54-L107 HydrophobicContact CG-CD2 4.49Å; L54-I108 HydrophobicContact CD2-CG1 4.07Å
55L89.6Confident85.9Confident39 Ų3971.5 Ų71.520%0.20434%0.337CS..Hα-helixtrans-65-45.9175.2-70169.9000111.3M51 A57 A58 D59 T111M51-L55 HydrophobicContact CE-CD2 4.13Å; M51-L55 HydrophobicContact CE-CG 4.26Å; M51-L55 HydrophobicContact CG-CD1 4.32Å; M51-L55 HydrophobicContact CG-CG 4.42Å; M51-L55 VanDerWaalsContact O-CG 3.27Å; M51-L55 WeakPolarHBondContact O-CG 3.41Å; M51-L55 PolarHBondContact O-N 3.2Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-A57 PolarHBondContact O-N 3.02Å; L55-A58 PolarHBondContact O-N 2.82Å; L55-D59 PolarHBondContact O-N 3.18Å; L55-T111 HydrophobicContact CD2-CG2 3.76Å
56K90.1Very high84.7Confident147 Ų14774.1 Ų74.164%0.63935%0.351SS*.Hα-helixtrans-58.3-43.2172.9-106.3-177.4175.7-178.60112.1K52 D53 D59 N60K52-K56 PolarHBondContact O-N 3.04Å; D53-K56 PolarHBondContact O-N 3.45Å; K56-D59 PolarHBondContact O-N 3.47Å; K56-N60 VanDerWaalsContact O-CG 3.3Å; K56-N60 PolarHBondContact O-N 3.11Å; K56-N60 VanDerWaalsContact O-N 3.09Å; K56-N60 PolarHBondContact O-ND2 3.08Å
57A90.1Very high83.8Confident4 Ų471.9 Ų71.93%0.03334%0.343CS..Hα-helixtrans-60.4-47.5175.700000111.9D53 L54 L55 D59 N60 V61 V80 I84 I108D53-A57 WeakPolarHBondContact O-CB 3.11Å; D53-A57 PolarHBondContact O-N 3.49Å; L54-A57 WeakPolarHBondContact O-CB 3.08Å; L54-A57 PolarHBondContact O-N 3.05Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-A57 PolarHBondContact O-N 3.02Å; A57-D59 VanDerWaalsContact C-N 3.3Å; A57-D59 PolarHBondContact O-N 3.41Å; A57-N60 PolarHBondContact O-N 3.21Å; A57-N60 VanDerWaalsContact O-N 3.11Å; A57-V61 WeakPolarHBondContact O-CG2 3.43Å; A57-V61 PolarHBondContact O-N 2.68Å; A57-V80 HydrophobicContact CB-CG1 3.25Å; A57-I84 HydrophobicContact CB-CD1 3.26Å; A57-I84 HydrophobicContact CB-CG1 4.28Å; A57-I108 HydrophobicContact CB-CD1 4.28Å
58A88.8Confident82.6Confident0 Ų072.6 Ų72.60%035%0.351CS..Hα-helixtrans-59-42.117600000111.5L54 L55 N60 V61 I108 T111 R112L54-A58 WeakPolarHBondContact O-CB 3.24Å; L54-A58 PolarHBondContact O-N 3.06Å; L55-A58 PolarHBondContact O-N 2.82Å; A58-N60 PolarHBondContact O-N 3.39Å; A58-V61 WeakPolarHBondContact O-CB 3.19Å; A58-V61 PolarHBondContact O-N 3.33Å; A58-V61 VanDerWaalsContact O-N 3.09Å; A58-I108 HydrophobicContact CB-CG2 4.4Å; A58-T111 HydrophobicContact CB-CG2 3.88Å; A58-R112 HydrophobicContact CB-CB 4.34Å; A58-R112 WeakPolarHBondContact O-CD 3.39Å
59D86.3Confident81.7Confident83 Ų8375.3 Ų75.344%0.44436%0.357SS..Hα-helixtrans-63.9-28.1177.5-69.4-21.4000112.8L55 K56 A57 V61 R115L55-D59 PolarHBondContact O-N 3.18Å; K56-D59 PolarHBondContact O-N 3.47Å; A57-D59 VanDerWaalsContact C-N 3.3Å; A57-D59 PolarHBondContact O-N 3.41Å; D59-V61 VanDerWaalsContact C-N 3.32Å; D59-R115 IonicContact OD1-CZ 2.78Å; D59-R115 VanDerWaalsContact OD1-CZ 3.27Å; D59-R115 IonicContact OD1-NE 3.36Å; D59-R115 PolarHBondContact OD1-NE 2.91Å; D59-R115 IonicContact OD1-NH2 3.42Å; D59-R115 PolarHBondContact OD1-NH2 3.37Å; D59-R115 IonicContact OD2-CZ 2.73Å; D59-R115 IonicContact OD2-NE 3.74Å; D59-R115 IonicContact OD2-NH2 3.92Å; D59-R115 PolarHBondContact OD2-NH2 2.85Å
60N86.5Confident81.3Confident116 Ų11677.1 Ų77.162%0.6237%0.371SS*.THydrogen-bonded Turntrans-81.3-5.2176-68.1-20.8000114K56 A57 A58 Y62K56-N60 VanDerWaalsContact O-CG 3.3Å; K56-N60 PolarHBondContact O-N 3.11Å; K56-N60 VanDerWaalsContact O-N 3.09Å; K56-N60 PolarHBondContact O-ND2 3.08Å; A57-N60 PolarHBondContact O-N 3.21Å; A57-N60 VanDerWaalsContact O-N 3.11Å; A58-N60 PolarHBondContact O-N 3.39Å; N60-Y62 PolarHBondContact O-N 3.31Å
61V85.6Confident81.2Confident2 Ų275.6 Ų75.61%0.01236%0.364CS..  trans-82.7107.2177.3-179.70000109.8A57 A58 D59 A76 I77 V80 I108 R112A57-V61 WeakPolarHBondContact O-CG2 3.43Å; A57-V61 PolarHBondContact O-N 2.68Å; A58-V61 WeakPolarHBondContact O-CB 3.19Å; A58-V61 PolarHBondContact O-N 3.33Å; A58-V61 VanDerWaalsContact O-N 3.09Å; D59-V61 VanDerWaalsContact C-N 3.32Å; V61-A76 HydrophobicContact CG1-CB 3.92Å; V61-I77 HydrophobicContact CG1-CG1 3.91Å; V61-I77 HydrophobicContact CG2-CG1 4.13Å; V61-V80 HydrophobicContact CG2-CG2 4.48Å; V61-I108 HydrophobicContact CG2-CG2 4.01Å; V61-R112 PolarHBondContact O-NE 3.42Å; V61-R112 PolarHBondContact O-NH2 3.11Å
62Y74.6Confident81.1Confident195 Ų19575 Ų7577%0.76536%0.362SS*.  trans-88.1112.3172.2-166.1-94.1000110.6N60 I64N60-Y62 PolarHBondContact O-N 3.31Å; Y62-I64 HydrophobicContact CE1-CG1 3.98Å
63E68.9Low81.1Confident45 Ų4571.3 Ų71.321%0.2135%0.352CS..  trans-133.3130.5176.6-170.4170.3-14000109.5P72 C73E63-P72 VanDerWaalsContact OE1-CA 3.24Å; E63-P72 WeakPolarHBondContact OE1-CA 3.47Å; E63-P72 WeakPolarHBondContact OE2-CB 3.19Å; E63-C73 PolarHBondContact OE1-N 3.23Å
64I56.8Low81Confident151 Ų15170 Ų7077%0.77434%0.344SS*.SBendtrans-79.4-28.5-172.2-59.3170.5000111.7Y62Y62-I64 HydrophobicContact CE1-CG1 3.98Å
65K64.6Low80.9Confident171 Ų17176.9 Ų76.974%0.74338%0.376SS*.  trans-116.6120.6-175.1-68.4-174.1178.9-178.30111
66N66.6Low81Confident64 Ų6476 Ų7634%0.34238%0.375SS..  trans-104.288.7172.1-166.433.7000111.3K113 L116N66-K113 WeakPolarHBondContact OD1-CD 3.49Å; N66-K113 PolarHBondContact OD1-NZ 3.49Å; N66-L116 HydrophobicContact CB-CD1 3.95Å; N66-L116 VanDerWaalsContact CG-CD1 3.41Å
67D74.1Confident81.1Confident82 Ų8269 Ų6944%0.43935%0.345SS..  trans-103.8118.8160.2-175.6-13.5000108.4K69 V70 K113D67-K69 PolarHBondContact O-N 3.45Å; D67-K69 WeakPolarHBondContact OD1-CB 3.27Å; D67-K69 PolarHBondContact OD1-N 3.35Å; D67-V70 HydrophobicContact CB-CB 4.19Å; D67-V70 HydrophobicContact CB-CG2 4.03Å; D67-V70 PolarHBondContact O-N 2.85Å; D67-V70 WeakPolarHBondContact OD2-CG2 3.3Å; D67-K113 PolarHBondContact O-NZ 2.96Å
68D66.8Low81.2Confident69 Ų6969.3 Ų69.337%0.36935%0.346SS..THydrogen-bonded Turntrans-64.7-22.3-179.2-69.5-24000112.8V70D68-V70 VanDerWaalsContact C-N 3.33Å
69K75.4Confident81.3Confident123 Ų12372.3 Ų72.354%0.53537%0.365SS..THydrogen-bonded Turntrans-85.9-6.8-179.2-61.1178.3-177.2174.30113D67 V186D67-K69 PolarHBondContact O-N 3.45Å; D67-K69 WeakPolarHBondContact OD1-CB 3.27Å; D67-K69 PolarHBondContact OD1-N 3.35Å; K69-V186 HydrophobicContact CB-CG2 4.04Å; K69-V186 HydrophobicContact CG-CG2 4.32Å
70V87Confident81.6Confident60 Ų6069.1 Ų69.136%0.36435%0.349SS..SBendtrans-116132.9-176.2-176.90000109.3D67 D68D67-V70 HydrophobicContact CB-CB 4.19Å; D67-V70 HydrophobicContact CB-CG2 4.03Å; D67-V70 PolarHBondContact O-N 2.85Å; D67-V70 WeakPolarHBondContact OD2-CG2 3.3Å; D68-V70 VanDerWaalsContact C-N 3.33Å
71P90.3Very high81.9Confident22 Ų2263.7 Ų63.714%0.14332%0.32CS..PPolyproline II helixtrans-63.2146.1175.327.6-36.4000111.3Y105 K189 W190 A193P71-Y105 WeakPolarHBondContact CB-OH 3.48Å; P71-K189 HydrophobicContact CG-CB 4.17Å; P71-W190 HydrophobicContact CB-CB 4.4Å; P71-W190 HydrophobicContact CB-CD2 3.79Å; P71-W190 HydrophobicContact CB-CE3 4.33Å; P71-W190 HydrophobicContact CB-CG 3.78Å; P71-A193 HydrophobicContact CB-CB 4.14Å; P71-A193 HydrophobicContact CG-CB 4.08Å
72P89Confident82.2Confident3 Ų370.3 Ų70.32%0.01935%0.345CS..PPolyproline II helixtrans-61152.2176.2-24.233.6000113E63 L74 I77 Y105 W190E63-P72 VanDerWaalsContact OE1-CA 3.24Å; E63-P72 WeakPolarHBondContact OE1-CA 3.47Å; E63-P72 WeakPolarHBondContact OE2-CB 3.19Å; P72-L74 PolarHBondContact O-N 3.27Å; P72-I77 HydrophobicContact CB-CD1 3.4Å; P72-I77 HydrophobicContact CB-CG1 4.04Å; P72-I77 HydrophobicContact CG-CD1 3.67Å; P72-Y105 PolarHBondContact O-OH 3.12Å; P72-W190 VanDerWaalsContact CD-CH2 3.42Å; P72-W190 HydrophobicContact CG-CH2 4.07Å
73C89.8Confident83Confident56 Ų5668.1 Ų68.138%0.37834%0.342SS..PPolyproline II helixtrans-53.8128.9174.3177.20000111.7E63 E75 A76 I77E63-C73 PolarHBondContact OE1-N 3.23Å; C73-E75 VanDerWaalsContact C-N 3.29Å; C73-E75 PolarHBondContact O-N 3.41Å; C73-E75 PolarHBondContact SG-OE2 2.87Å; C73-A76 HydrophobicContact CB-CB 4.26Å; C73-A76 PolarHBondContact O-N 2.83Å; C73-I77 PolarHBondContact O-N 3.39Å
74L89.9Confident84Confident37 Ų3767.7 Ų67.719%0.19434%0.341CS..Hα-helixtrans-59.7-42.8-179.2-65.5179.5000110.9P72 A76 I77 V78 Y105 A193 S196 L197P72-L74 PolarHBondContact O-N 3.27Å; L74-A76 PolarHBondContact O-N 3.29Å; L74-I77 PolarHBondContact O-N 3.47Å; L74-V78 HydrophobicContact CB-CG2 4.14Å; L74-V78 WeakPolarHBondContact O-CB 3.35Å; L74-V78 WeakPolarHBondContact O-CG2 3.43Å; L74-V78 PolarHBondContact O-N 3.31Å; L74-Y105 HydrophobicContact CD2-CD2 3.93Å; L74-Y105 HydrophobicContact CD2-CE1 4.07Å; L74-Y105 HydrophobicContact CD2-CE2 3.43Å; L74-Y105 VanDerWaalsContact CD2-CE2 3.43Å; L74-Y105 HydrophobicContact CD2-CG 4.46Å; L74-Y105 VanDerWaalsContact CD2-CZ 3.49Å; L74-A193 HydrophobicContact CD2-CB 4.25Å; L74-S196 WeakPolarHBondContact CD1-OG 3.29Å; L74-L197 HydrophobicContact CD1-CD2 4.15Å; L74-L197 HydrophobicContact CD2-CD1 4.17Å; L74-L197 HydrophobicContact CD2-CD2 3.92Å; L74-L197 HydrophobicContact CD2-CG 4.01Å; L74-L197 HydrophobicContact CG-CD2 4.42Å
75E89.2Confident85.6Confident145 Ų14560.8 Ų60.868%0.67831%0.306SS*.Hα-helixtrans-60.6-27.2-178.8-64.671.3-161.100112.3C73 P79C73-E75 VanDerWaalsContact C-N 3.29Å; C73-E75 PolarHBondContact O-N 3.41Å; C73-E75 PolarHBondContact SG-OE2 2.87Å; E75-P79 WeakPolarHBondContact O-CD 3.47Å; E75-P79 WeakPolarHBondContact O-CG 3.4Å
76A90Very high86.5Confident22 Ų2253.9 Ų53.918%0.18228%0.283CS..Hα-helixtrans-81.8-40.5177.800000112.6V61 C73 L74V61-A76 HydrophobicContact CG1-CB 3.92Å; C73-A76 HydrophobicContact CB-CB 4.26Å; C73-A76 PolarHBondContact O-N 2.83Å; L74-A76 PolarHBondContact O-N 3.29Å
77I92.5Very high86.8Confident0 Ų055.6 Ų55.60%030%0.297CS..Hα-helixtrans-90.9-41-174-64.2-166.5000112.8V61 P72 C73 L74 P79 V80 A81 Y105 I108 G109V61-I77 HydrophobicContact CG1-CG1 3.91Å; V61-I77 HydrophobicContact CG2-CG1 4.13Å; P72-I77 HydrophobicContact CB-CD1 3.4Å; P72-I77 HydrophobicContact CB-CG1 4.04Å; P72-I77 HydrophobicContact CG-CD1 3.67Å; C73-I77 PolarHBondContact O-N 3.39Å; L74-I77 PolarHBondContact O-N 3.47Å; I77-P79 VanDerWaalsContact C-CD 3.5Å; I77-V80 PolarHBondContact O-N 3.28Å; I77-V80 VanDerWaalsContact O-N 3.08Å; I77-A81 HydrophobicContact CG2-CB 4.38Å; I77-A81 WeakPolarHBondContact O-CB 3.34Å; I77-A81 PolarHBondContact O-N 2.64Å; I77-Y105 HydrophobicContact CB-CD2 3.81Å; I77-Y105 HydrophobicContact CB-CE2 4.13Å; I77-Y105 HydrophobicContact CD1-CD2 4.32Å; I77-Y105 HydrophobicContact CD1-CE2 4.17Å; I77-Y105 HydrophobicContact CG2-CD2 3.66Å; I77-Y105 HydrophobicContact CG2-CE2 4.4Å; I77-Y105 HydrophobicContact CG2-CG 4.46Å; I77-I108 HydrophobicContact CD1-CG2 4.35Å; I77-I108 HydrophobicContact CG2-CB 4.02Å; I77-I108 HydrophobicContact CG2-CD1 4.44Å; I77-I108 HydrophobicContact CG2-CG2 3.97Å; I77-G109 VanDerWaalsContact CD1-CA 3.49Å
78V92Very high86.5Confident10 Ų1056.1 Ų56.16%0.06130%0.299CS..Hα-helixtrans-57.7-41.9-171172.70000113.1L74 V80 A81 R82 L197L74-V78 HydrophobicContact CB-CG2 4.14Å; L74-V78 WeakPolarHBondContact O-CB 3.35Å; L74-V78 WeakPolarHBondContact O-CG2 3.43Å; L74-V78 PolarHBondContact O-N 3.31Å; V78-V80 VanDerWaalsContact C-N 3.31Å; V78-V80 PolarHBondContact O-N 3.27Å; V78-A81 PolarHBondContact O-N 3.25Å; V78-R82 HydrophobicContact CG1-CG 4.34Å; V78-R82 WeakPolarHBondContact O-CB 3.28Å; V78-R82 WeakPolarHBondContact O-CG 3.33Å; V78-R82 PolarHBondContact O-N 2.97Å; V78-L197 HydrophobicContact CG2-CD1 3.99Å; V78-L197 HydrophobicContact CG2-CD2 3.34Å; V78-L197 HydrophobicContact CG2-CG 4.31Å
79P92.1Very high86.5Confident62 Ų6256.6 Ų56.640%0.40330%0.302SS..Hα-helixtrans-58.6-42.9176.3-25.436000112.6E75 I77 R82 Q83E75-P79 WeakPolarHBondContact O-CD 3.47Å; E75-P79 WeakPolarHBondContact O-CG 3.4Å; I77-P79 VanDerWaalsContact C-CD 3.5Å; P79-R82 PolarHBondContact O-N 2.96Å; P79-Q83 WeakPolarHBondContact O-CG 3.46Å; P79-Q83 PolarHBondContact O-N 3.08Å
80V92.3Very high85.8Confident16 Ų1659.3 Ų59.310%0.09732%0.322CS..Hα-helixtrans-72.9-40180-170.20000111.2A57 V61 I77 V78 R82 Q83 I84A57-V80 HydrophobicContact CB-CG1 3.25Å; V61-V80 HydrophobicContact CG2-CG2 4.48Å; I77-V80 PolarHBondContact O-N 3.28Å; I77-V80 VanDerWaalsContact O-N 3.08Å; V78-V80 VanDerWaalsContact C-N 3.31Å; V78-V80 PolarHBondContact O-N 3.27Å; V80-R82 VanDerWaalsContact C-N 3.3Å; V80-R82 PolarHBondContact O-N 3.39Å; V80-Q83 WeakPolarHBondContact O-CB 3.36Å; V80-Q83 PolarHBondContact O-N 2.83Å; V80-I84 PolarHBondContact O-N 2.61Å; V80-I84 VanDerWaalsContact O-N 3.11Å
81A93Very high84.5Confident2 Ų265.5 Ų65.52%0.01735%0.347CS..Hα-helixtrans-60-40.5174.300000111.7I77 V78 I84 C85 L101 L104 I108I77-A81 HydrophobicContact CG2-CB 4.38Å; I77-A81 WeakPolarHBondContact O-CB 3.34Å; I77-A81 PolarHBondContact O-N 2.64Å; V78-A81 PolarHBondContact O-N 3.25Å; A81-I84 PolarHBondContact O-N 2.67Å; A81-C85 VanDerWaalsContact O-CB 3.25Å; A81-C85 WeakPolarHBondContact O-CB 3.43Å; A81-C85 PolarHBondContact O-N 2.87Å; A81-L101 HydrophobicContact CB-CD2 4.34Å; A81-L104 HydrophobicContact CB-CB 4.08Å; A81-I108 HydrophobicContact CB-CD1 3.93Å
82R91.7Very high83.3Confident142 Ų14265.9 Ų65.954%0.53635%0.347SS..Hα-helixtrans-63.3-40.9174.7-76.5177.3-178.7143.82.8112.6V78 P79 V80 I84 C85 G86 L101V78-R82 HydrophobicContact CG1-CG 4.34Å; V78-R82 WeakPolarHBondContact O-CB 3.28Å; V78-R82 WeakPolarHBondContact O-CG 3.33Å; V78-R82 PolarHBondContact O-N 2.97Å; P79-R82 PolarHBondContact O-N 2.96Å; V80-R82 VanDerWaalsContact C-N 3.3Å; V80-R82 PolarHBondContact O-N 3.39Å; R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 3.39Å; R82-C85 PolarHBondContact O-N 3.34Å; R82-G86 PolarHBondContact O-N 2.81Å; R82-G86 VanDerWaalsContact O-N 3.11Å; R82-L101 HydrophobicContact CB-CD2 4.36Å; R82-L101 HydrophobicContact CG-CD1 4.07Å; R82-L101 HydrophobicContact CG-CD2 3.69Å
83Q91Very high82.5Confident148 Ų14868.5 Ų68.569%0.69237%0.365SS*.Hα-helixtrans-60.5-42.6175.9-71.2172.2-5.300111.8P79 V80P79-Q83 WeakPolarHBondContact O-CG 3.46Å; P79-Q83 PolarHBondContact O-N 3.08Å; V80-Q83 WeakPolarHBondContact O-CB 3.36Å; V80-Q83 PolarHBondContact O-N 2.83Å
84I90.6Very high82.1Confident37 Ų3767.9 Ų67.919%0.1937%0.368CS..Hα-helixtrans-71.4-37.3176.8-71.5-171.9000112.3W49 L54 A57 V80 A81 R82 G86 L104 I108W49-I84 HydrophobicContact CG-CG2 4Å; W49-I84 PolarHBondContact NE1-O 2.81Å; L54-I84 HydrophobicContact CD2-CD1 4Å; L54-I84 HydrophobicContact CD2-CG2 4.37Å; A57-I84 HydrophobicContact CB-CD1 3.26Å; A57-I84 HydrophobicContact CB-CG1 4.28Å; V80-I84 PolarHBondContact O-N 2.61Å; V80-I84 VanDerWaalsContact O-N 3.11Å; A81-I84 PolarHBondContact O-N 2.67Å; R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 3.39Å; I84-G86 PolarHBondContact O-N 3.27Å; I84-L104 HydrophobicContact CG2-CD1 4.1Å; I84-L104 HydrophobicContact CG2-CD2 4.05Å; I84-I108 HydrophobicContact CD1-CD1 4.41Å
85C89.4Confident81.8Confident6 Ų669.2 Ų69.24%0.04138%0.378CS..Hα-helixtrans-67.9-27-178.6-1650000112.5R47 A81 R82 L101 L104R47-C85 PolarHBondContact NH2-O 3.24Å; A81-C85 VanDerWaalsContact O-CB 3.25Å; A81-C85 WeakPolarHBondContact O-CB 3.43Å; A81-C85 PolarHBondContact O-N 2.87Å; R82-C85 PolarHBondContact O-N 3.34Å; C85-L101 HydrophobicContact CB-CD2 3.77Å; C85-L104 HydrophobicContact CB-CD1 3.68Å
86G83Confident81.8Confident25 Ų2564.1 Ų64.126%0.25835%0.354SS..  trans79.5177.2-175.800000113.2R82 I84 H97R82-G86 PolarHBondContact O-N 2.81Å; R82-G86 VanDerWaalsContact O-N 3.11Å; I84-G86 PolarHBondContact O-N 3.27Å; G86-H97 PolarHBondContact O-CE1 2.84Å
87P74Confident81.8Confident100 Ų10064 Ų6465%0.64935%0.349SS*.  trans-64159.3175.628.7-34000111.8D89P87-D89 PolarHBondContact O-N 3.49Å
88I67.6Low81.7Confident93 Ų9366.5 Ų66.548%0.47736%0.363SS..  trans-73.5108.4167.8-57.9173.9000106.1Q92 H97I88-Q92 HydrophobicContact CG2-CB 4.18Å; I88-H97 HydrophobicContact CD1-CB 4.42Å; I88-H97 HydrophobicContact CG1-CB 4.07Å
89D66.2Low81.7Confident80 Ų8066.3 Ų66.343%0.42836%0.362SS..  trans-66.2150.6171.7-60.7-45.4000109.5P87 Q91 Q92P87-D89 PolarHBondContact O-N 3.49Å; D89-Q91 PolarHBondContact O-N 3.4Å; D89-Q92 PolarHBondContact O-N 3.37Å; D89-Q92 PolarHBondContact OD2-NE2 2.87Å
90D60.3Low81.8Confident180 Ų18063.4 Ų63.496%0.96334%0.344SS*.THydrogen-bonded Turntrans-55.5-21.7179.2-66.6-32.3000113.6
91Q60.7Low81.9Confident189 Ų18963.1 Ų63.188%0.88334%0.341SS*.THydrogen-bonded Turntrans-83.8-16.4177.8-62.9-179.32.500113.8D89D89-Q91 PolarHBondContact O-N 3.4Å
92Q64.7Low82Confident31 Ų3163 Ų6315%0.14534%0.341CS..SBendtrans-91133.6-176.2-79.5168.54600111.6I88 D89I88-Q92 HydrophobicContact CG2-CB 4.18Å; D89-Q92 PolarHBondContact O-N 3.37Å; D89-Q92 PolarHBondContact OD2-NE2 2.87Å
93S73Confident82.3Confident57 Ų5756.3 Ų56.340%0.39932%0.315SS..  trans-75.3150.5168.776.30000110.5V95 Q96 H97S93-V95 PolarHBondContact O-N 2.95Å; S93-V95 VanDerWaalsContact O-N 3.1Å; S93-Q96 VanDerWaalsContact N-OE1 3.12Å; S93-Q96 PolarHBondContact O-N 2.81Å; S93-Q96 VanDerWaalsContact O-N 3.08Å; S93-Q96 WeakPolarHBondContact OG-CG 3.4Å; S93-Q96 PolarHBondContact OG-N 3.33Å; S93-H97 PolarHBondContact O-N 3.19Å
94G81Confident82.5Confident43 Ų4349.2 Ų49.244%0.44328%0.282SS..Hα-helixtrans-55.1-30.717500000113L98G94-L98 WeakPolarHBondContact O-CB 3.1Å; G94-L98 WeakPolarHBondContact O-CG 3.45Å; G94-L98 PolarHBondContact O-N 3.36Å
95V83.2Confident82.8Confident65 Ų6547.5 Ų47.539%0.39427%0.273SS..Hα-helixtrans-66.3-43.9177.41790000111.8L43 S93 H97 L98 A99L43-V95 HydrophobicContact CD2-CG1 4.37Å; S93-V95 PolarHBondContact O-N 2.95Å; S93-V95 VanDerWaalsContact O-N 3.1Å; V95-H97 PolarHBondContact O-N 3.47Å; V95-L98 PolarHBondContact O-N 2.99Å; V95-A99 WeakPolarHBondContact O-CB 3.47Å; V95-A99 PolarHBondContact O-N 3.47Å
96Q88.5Confident83.1Confident39 Ų3947.2 Ų47.218%0.18227%0.272CS..Hα-helixtrans-61.6-44.7178.4-69.3168-11.400111.2L43 V45 S93 A99 C100L43-Q96 HydrophobicContact CB-CG 4.42Å; L43-Q96 WeakPolarHBondContact O-CG 3.21Å; L43-Q96 PolarHBondContact O-NE2 3.47Å; V45-Q96 HydrophobicContact CG2-CB 3.66Å; V45-Q96 HydrophobicContact CG2-CG 3.54Å; S93-Q96 VanDerWaalsContact N-OE1 3.12Å; S93-Q96 PolarHBondContact O-N 2.81Å; S93-Q96 VanDerWaalsContact O-N 3.08Å; S93-Q96 WeakPolarHBondContact OG-CG 3.4Å; S93-Q96 PolarHBondContact OG-N 3.33Å; Q96-A99 PolarHBondContact O-N 3.27Å; Q96-C100 PolarHBondContact O-N 3.45Å; Q96-C100 PolarHBondContact O-SG 3.37Å
97H90.2Very high83.7Confident18 Ų1846.1 Ų46.18%0.08326%0.26CS..Hα-helixtrans-63.7-45178.3-17582.9000111.8G86 I88 S93 V95 A99 C100 L101G86-H97 PolarHBondContact O-CE1 2.84Å; I88-H97 HydrophobicContact CD1-CB 4.42Å; I88-H97 HydrophobicContact CG1-CB 4.07Å; S93-H97 PolarHBondContact O-N 3.19Å; V95-H97 PolarHBondContact O-N 3.47Å; H97-A99 VanDerWaalsContact C-N 3.35Å; H97-A99 PolarHBondContact O-N 3.43Å; H97-C100 WeakPolarHBondContact O-CB 3.34Å; H97-C100 PolarHBondContact O-N 2.82Å; H97-L101 WeakPolarHBondContact NE2-CD1 3.39Å; H97-L101 WeakPolarHBondContact O-CG 3.3Å; H97-L101 PolarHBondContact O-N 2.89Å
98L90.5Very high84.6Confident54 Ų5441.4 Ų41.428%0.28323%0.229SC..Hα-helixtrans-63.3-38.6177.6-70.6172.4000112.6G94 V95 L101 A102 L197 I198G94-L98 WeakPolarHBondContact O-CB 3.1Å; G94-L98 WeakPolarHBondContact O-CG 3.45Å; G94-L98 PolarHBondContact O-N 3.36Å; V95-L98 PolarHBondContact O-N 2.99Å; L98-L101 PolarHBondContact O-N 3.23Å; L98-A102 WeakPolarHBondContact O-CB 3.12Å; L98-A102 PolarHBondContact O-N 2.8Å; L98-L197 WeakPolarHBondContact CD2-O 3.43Å; L98-I198 HydrophobicContact CB-CG1 4.45Å
99A92.4Very high85.8Confident6 Ų637 Ų375%0.0521%0.206CC..Hα-helixtrans-62-45.3173.700000111.5L40 L43 V95 Q96 H97 L101 A102 F103 Y150L40-A99 HydrophobicContact CD1-CB 3.86Å; L43-A99 HydrophobicContact CD1-CB 4.3Å; V95-A99 WeakPolarHBondContact O-CB 3.47Å; V95-A99 PolarHBondContact O-N 3.47Å; Q96-A99 PolarHBondContact O-N 3.27Å; H97-A99 VanDerWaalsContact C-N 3.35Å; H97-A99 PolarHBondContact O-N 3.43Å; A99-L101 VanDerWaalsContact C-N 3.35Å; A99-L101 PolarHBondContact O-N 2.88Å; A99-A102 PolarHBondContact O-N 2.78Å; A99-F103 PolarHBondContact O-N 2.92Å; A99-Y150 HydrophobicContact CB-CE1 4.11Å; A99-Y150 PolarHBondContact O-OH 3.4Å
100C94.9Very high87Confident1 Ų133.1 Ų33.11%0.00719%0.186CC..Hα-helixtrans-60.6-42.7175.1-65.10000112.2W49 Q96 H97 F103 L104W49-C100 HydrophobicContact CZ2-CB 4.49Å; Q96-C100 PolarHBondContact O-N 3.45Å; Q96-C100 PolarHBondContact O-SG 3.37Å; H97-C100 WeakPolarHBondContact O-CB 3.34Å; H97-C100 PolarHBondContact O-N 2.82Å; C100-F103 PolarHBondContact O-N 3.34Å; C100-L104 WeakPolarHBondContact O-CB 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.46Å; C100-L104 PolarHBondContact O-N 2.91Å
101L94.4Very high88.4Confident9 Ų924.6 Ų24.65%0.04714%0.14CC..Hα-helixtrans-63.7-42.7176.8-75.3-179.4000112.3A81 R82 C85 H97 L98 A99 F103 L104 Y105A81-L101 HydrophobicContact CB-CD2 4.34Å; R82-L101 HydrophobicContact CB-CD2 4.36Å; R82-L101 HydrophobicContact CG-CD1 4.07Å; R82-L101 HydrophobicContact CG-CD2 3.69Å; C85-L101 HydrophobicContact CB-CD2 3.77Å; H97-L101 WeakPolarHBondContact NE2-CD1 3.39Å; H97-L101 WeakPolarHBondContact O-CG 3.3Å; H97-L101 PolarHBondContact O-N 2.89Å; L98-L101 PolarHBondContact O-N 3.23Å; A99-L101 VanDerWaalsContact C-N 3.35Å; A99-L101 PolarHBondContact O-N 2.88Å; L101-F103 VanDerWaalsContact C-N 3.35Å; L101-L104 PolarHBondContact O-N 2.87Å; L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.48Å; L101-Y105 PolarHBondContact O-N 2.82Å
102A95.3Very high89.7Confident1 Ų117.4 Ų17.41%0.00811%0.105CC..Hα-helixtrans-62.1-42.617600000111.5L98 A99 Y105 V106 Y150 A194 I198L98-A102 WeakPolarHBondContact O-CB 3.12Å; L98-A102 PolarHBondContact O-N 2.8Å; A99-A102 PolarHBondContact O-N 2.78Å; A102-Y105 PolarHBondContact O-N 2.84Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 2.65Å; A102-Y150 HydrophobicContact CB-CE1 4.3Å; A102-A194 HydrophobicContact CB-CB 4.31Å; A102-I198 HydrophobicContact CB-CD1 4Å; A102-I198 HydrophobicContact CB-CG1 4.05Å
103F96.9Very high90.8Very high0 Ų016 Ų160%010%0.099CC..Hα-helixtrans-60.4-50.6173.2173.6-100.9000112.4V36 L38 W49 A99 C100 L101 Y105 V106 L107 V132 I154 L158V36-F103 HydrophobicContact CG1-CE1 3.89Å; V36-F103 HydrophobicContact CG1-CZ 3.85Å; L38-F103 HydrophobicContact CB-CD1 4.25Å; L38-F103 HydrophobicContact CB-CE1 4.12Å; L38-F103 HydrophobicContact CB-CZ 4.42Å; L38-F103 HydrophobicContact CD1-CD1 4.39Å; L38-F103 HydrophobicContact CD1-CD2 3.8Å; L38-F103 HydrophobicContact CD1-CE2 4.03Å; L38-F103 HydrophobicContact CD1-CG 3.98Å; L38-F103 HydrophobicContact CD1-CZ 4.41Å; L38-F103 HydrophobicContact CD2-CB 3.82Å; L38-F103 HydrophobicContact CD2-CD1 3.81Å; L38-F103 HydrophobicContact CD2-CD2 4.43Å; L38-F103 HydrophobicContact CD2-CG 3.76Å; L38-F103 HydrophobicContact CG-CD1 4.38Å; L38-F103 HydrophobicContact CG-CG 4.35Å; W49-F103 HydrophobicContact CE3-CE1 4.2Å; W49-F103 HydrophobicContact CH2-CD1 4.04Å; W49-F103 HydrophobicContact CH2-CE1 4.32Å; W49-F103 AromaticContact CZ3-CD1 3.77Å; W49-F103 HydrophobicContact CZ3-CD1 3.77Å; W49-F103 AromaticContact CZ3-CE1 3.58Å; W49-F103 HydrophobicContact CZ3-CE1 3.58Å; A99-F103 PolarHBondContact O-N 2.92Å; C100-F103 PolarHBondContact O-N 3.34Å; L101-F103 VanDerWaalsContact C-N 3.35Å; F103-Y105 VanDerWaalsContact C-N 3.31Å; F103-Y105 PolarHBondContact O-N 2.9Å; F103-V106 PolarHBondContact O-N 3.29Å; F103-L107 HydrophobicContact CE1-CD2 3.79Å; F103-L107 HydrophobicContact CZ-CD2 4Å; F103-L107 WeakPolarHBondContact O-CB 3.47Å; F103-L107 PolarHBondContact O-N 3.01Å; F103-V132 HydrophobicContact CE2-CB 4.12Å; F103-V132 HydrophobicContact CE2-CG1 4.28Å; F103-V132 HydrophobicContact CE2-CG2 3.95Å; F103-V132 HydrophobicContact CZ-CB 4.5Å; F103-V132 HydrophobicContact CZ-CG2 4.26Å; F103-I154 HydrophobicContact CB-CD1 4.12Å; F103-I154 HydrophobicContact CD2-CD1 3.92Å; F103-I154 HydrophobicContact CD2-CG1 4.31Å; F103-I154 HydrophobicContact CD2-CG2 4.05Å; F103-L158 HydrophobicContact CD2-CD1 4.34Å; F103-L158 HydrophobicContact CE2-CD1 4.08Å
104L96.3Very high91.2Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-63.4-37.5179.8-74.7172.5000112W49 L54 A81 I84 C85 C100 L101 L107 I108W49-L104 HydrophobicContact CD2-CD2 3.93Å; W49-L104 HydrophobicContact CE3-CD2 4.2Å; W49-L104 HydrophobicContact CG-CD2 4.39Å; W49-L104 HydrophobicContact CH2-CD2 4.33Å; W49-L104 HydrophobicContact CH2-CG 4.3Å; W49-L104 HydrophobicContact CZ2-CD1 3.83Å; W49-L104 HydrophobicContact CZ2-CD2 4.11Å; W49-L104 HydrophobicContact CZ2-CG 4.03Å; W49-L104 HydrophobicContact CZ3-CD2 4.39Å; L54-L104 HydrophobicContact CD2-CD2 3.77Å; A81-L104 HydrophobicContact CB-CB 4.08Å; I84-L104 HydrophobicContact CG2-CD1 4.1Å; I84-L104 HydrophobicContact CG2-CD2 4.05Å; C85-L104 HydrophobicContact CB-CD1 3.68Å; C100-L104 WeakPolarHBondContact O-CB 3.31Å; C100-L104 WeakPolarHBondContact O-CG 3.46Å; C100-L104 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 2.87Å; L104-L107 PolarHBondContact O-N 2.86Å; L104-I108 HydrophobicContact CB-CD1 4.43Å; L104-I108 VanDerWaalsContact O-CB 3.3Å; L104-I108 WeakPolarHBondContact O-CB 3.48Å; L104-I108 VanDerWaalsContact O-CG1 3.22Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.94Å
105Y95.9Very high91.2Very high1 Ų118.3 Ų18.30%0.0049%0.085CC..Hα-helixtrans-57.2-53.2174.9164.6-101.5000111.3P71 P72 L74 I77 L101 A102 F103 L107 G109 A193 A194 L197P71-Y105 WeakPolarHBondContact CB-OH 3.48Å; P72-Y105 PolarHBondContact O-OH 3.12Å; L74-Y105 HydrophobicContact CD2-CD2 3.93Å; L74-Y105 HydrophobicContact CD2-CE1 4.07Å; L74-Y105 HydrophobicContact CD2-CE2 3.43Å; L74-Y105 VanDerWaalsContact CD2-CE2 3.43Å; L74-Y105 HydrophobicContact CD2-CG 4.46Å; L74-Y105 VanDerWaalsContact CD2-CZ 3.49Å; I77-Y105 HydrophobicContact CB-CD2 3.81Å; I77-Y105 HydrophobicContact CB-CE2 4.13Å; I77-Y105 HydrophobicContact CD1-CD2 4.32Å; I77-Y105 HydrophobicContact CD1-CE2 4.17Å; I77-Y105 HydrophobicContact CG2-CD2 3.66Å; I77-Y105 HydrophobicContact CG2-CE2 4.4Å; I77-Y105 HydrophobicContact CG2-CG 4.46Å; L101-Y105 VanDerWaalsContact O-CB 3.27Å; L101-Y105 WeakPolarHBondContact O-CB 3.48Å; L101-Y105 PolarHBondContact O-N 2.82Å; A102-Y105 PolarHBondContact O-N 2.84Å; F103-Y105 VanDerWaalsContact C-N 3.31Å; F103-Y105 PolarHBondContact O-N 2.9Å; Y105-L107 VanDerWaalsContact C-N 3.35Å; Y105-L107 PolarHBondContact O-N 3.21Å; Y105-G109 PolarHBondContact O-N 3.14Å; Y105-A193 HydrophobicContact CE1-CB 3.84Å; Y105-A193 WeakPolarHBondContact OH-CB 3.38Å; Y105-A194 HydrophobicContact CD1-CB 3.98Å; Y105-A194 HydrophobicContact CE1-CB 4.33Å; Y105-L197 HydrophobicContact CD1-CD1 4.08Å; Y105-L197 HydrophobicContact CD2-CD1 4.17Å; Y105-L197 HydrophobicContact CG-CD1 3.65Å
106V95.8Very high90.7Very high0 Ų016.8 Ų16.80%07%0.074CC..Hα-helixtrans-63-44.5178.6179.90000110.2A102 F103 G109 V110 I154 L158 W190 A194A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 2.65Å; F103-V106 PolarHBondContact O-N 3.29Å; V106-G109 PolarHBondContact O-N 3.46Å; V106-V110 HydrophobicContact CG1-CG1 4.31Å; V106-V110 WeakPolarHBondContact O-CG1 3.18Å; V106-V110 WeakPolarHBondContact O-CG2 3.41Å; V106-V110 PolarHBondContact O-N 2.93Å; V106-I154 HydrophobicContact CB-CG2 3.91Å; V106-I154 HydrophobicContact CG1-CG2 4.03Å; V106-I154 HydrophobicContact CG2-CG2 4.1Å; V106-L158 HydrophobicContact CB-CD1 4.07Å; V106-L158 HydrophobicContact CG1-CB 4.01Å; V106-L158 HydrophobicContact CG1-CD1 3.72Å; V106-L158 HydrophobicContact CG1-CG 4.45Å; V106-W190 HydrophobicContact CG1-CE3 4.04Å; V106-W190 HydrophobicContact CG1-CZ3 4.36Å; V106-A194 HydrophobicContact CG2-CB 3.79Å
107L95Very high89.9Confident2 Ų216.1 Ų16.11%0.018%0.075CC..Hα-helixtrans-63.5-48.8-177.5-178.462.8000113.2V36 L54 F103 L104 Y105 G109 V110 T111 L127 V130 L158V36-L107 HydrophobicContact CB-CD2 4.4Å; V36-L107 HydrophobicContact CG1-CD2 3.68Å; V36-L107 HydrophobicContact CG2-CD2 4.27Å; L54-L107 HydrophobicContact CD1-CD2 3.58Å; L54-L107 HydrophobicContact CD1-CG 4.42Å; L54-L107 HydrophobicContact CD2-CD2 4.1Å; L54-L107 HydrophobicContact CG-CD2 4.49Å; F103-L107 HydrophobicContact CE1-CD2 3.79Å; F103-L107 HydrophobicContact CZ-CD2 4Å; F103-L107 WeakPolarHBondContact O-CB 3.47Å; F103-L107 PolarHBondContact O-N 3.01Å; L104-L107 PolarHBondContact O-N 2.86Å; Y105-L107 VanDerWaalsContact C-N 3.35Å; Y105-L107 PolarHBondContact O-N 3.21Å; L107-G109 VanDerWaalsContact C-N 3.27Å; L107-G109 PolarHBondContact O-N 3.4Å; L107-V110 HydrophobicContact CD1-CG2 4.5Å; L107-V110 VanDerWaalsContact O-CG2 3.3Å; L107-V110 WeakPolarHBondContact O-CG2 3.19Å; L107-V110 PolarHBondContact O-N 3.42Å; L107-T111 VanDerWaalsContact O-CB 3.31Å; L107-T111 WeakPolarHBondContact O-CB 3.38Å; L107-T111 PolarHBondContact O-N 2.9Å; L107-T111 PolarHBondContact O-OG1 3.05Å; L107-L127 HydrophobicContact CD1-CD2 4.19Å; L107-V130 HydrophobicContact CD1-CG2 4.46Å; L107-L158 HydrophobicContact CB-CD1 3.98Å; L107-L158 HydrophobicContact CD1-CD1 4.28Å; L107-L158 HydrophobicContact CD1-CD2 4.04Å
108I93.8Very high88.5Confident0 Ų019 Ų190%09%0.088CC..Hα-helixtrans-62.9-40.8176.4-67.2166.1000109.1L54 A57 A58 V61 I77 A81 I84 L104 T111 R112L54-I108 HydrophobicContact CD2-CG1 4.07Å; A57-I108 HydrophobicContact CB-CD1 4.28Å; A58-I108 HydrophobicContact CB-CG2 4.4Å; V61-I108 HydrophobicContact CG2-CG2 4.01Å; I77-I108 HydrophobicContact CD1-CG2 4.35Å; I77-I108 HydrophobicContact CG2-CB 4.02Å; I77-I108 HydrophobicContact CG2-CD1 4.44Å; I77-I108 HydrophobicContact CG2-CG2 3.97Å; A81-I108 HydrophobicContact CB-CD1 3.93Å; I84-I108 HydrophobicContact CD1-CD1 4.41Å; L104-I108 HydrophobicContact CB-CD1 4.43Å; L104-I108 VanDerWaalsContact O-CB 3.3Å; L104-I108 WeakPolarHBondContact O-CB 3.48Å; L104-I108 VanDerWaalsContact O-CG1 3.22Å; L104-I108 WeakPolarHBondContact O-CG1 3.22Å; L104-I108 PolarHBondContact O-N 2.94Å; I108-T111 WeakPolarHBondContact O-CB 3.49Å; I108-T111 PolarHBondContact O-N 3.32Å; I108-R112 WeakPolarHBondContact O-CB 3.41Å; I108-R112 PolarHBondContact O-N 3.19Å
109G92.8Very high87.1Confident0 Ų023.1 Ų23.10%011%0.109CC..Hα-helixtrans-60-51.5177.600000113I77 Y105 V106 L107 T111 R112 K113 W190I77-G109 VanDerWaalsContact CD1-CA 3.49Å; Y105-G109 PolarHBondContact O-N 3.14Å; V106-G109 PolarHBondContact O-N 3.46Å; L107-G109 VanDerWaalsContact C-N 3.27Å; L107-G109 PolarHBondContact O-N 3.4Å; G109-T111 VanDerWaalsContact C-N 3.28Å; G109-T111 PolarHBondContact O-N 3.45Å; G109-R112 PolarHBondContact O-N 2.88Å; G109-K113 WeakPolarHBondContact O-CG 3.37Å; G109-K113 PolarHBondContact O-N 2.93Å; G109-W190 VanDerWaalsContact C-CH2 3.46Å
110V91.9Very high85.5Confident0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-66.4-34178.9-59.80000111.6V106 L107 R114 L127 L158 L159 A162 L164 W190V106-V110 HydrophobicContact CG1-CG1 4.31Å; V106-V110 WeakPolarHBondContact O-CG1 3.18Å; V106-V110 WeakPolarHBondContact O-CG2 3.41Å; V106-V110 PolarHBondContact O-N 2.93Å; L107-V110 HydrophobicContact CD1-CG2 4.5Å; L107-V110 VanDerWaalsContact O-CG2 3.3Å; L107-V110 WeakPolarHBondContact O-CG2 3.19Å; L107-V110 PolarHBondContact O-N 3.42Å; V110-R114 WeakPolarHBondContact O-CB 3.42Å; V110-R114 PolarHBondContact O-N 3.42Å; V110-L127 HydrophobicContact CG2-CD2 4.16Å; V110-L158 HydrophobicContact CG1-CB 4.38Å; V110-L158 HydrophobicContact CG2-CB 4.17Å; V110-L159 HydrophobicContact CG1-CD2 3.87Å; V110-L159 HydrophobicContact CG1-CG 4.26Å; V110-A162 HydrophobicContact CB-CB 3.83Å; V110-A162 HydrophobicContact CG2-CB 4.16Å; V110-L164 HydrophobicContact CB-CD1 3.96Å; V110-L164 HydrophobicContact CG1-CD1 3.99Å; V110-W190 HydrophobicContact CG1-CE3 4.27Å; V110-W190 HydrophobicContact CG1-CH2 3.77Å; V110-W190 HydrophobicContact CG1-CZ3 3.62Å
111T90.1Very high83.6Confident1 Ų134.3 Ų34.31%0.00617%0.169CC..Hα-helixtrans-62.6-45.6174.3-570000110.7M51 L55 A58 L107 I108 G109 R114 R115 L127M51-T111 HydrophobicContact CE-CG2 4.4Å; L55-T111 HydrophobicContact CD2-CG2 3.76Å; A58-T111 HydrophobicContact CB-CG2 3.88Å; L107-T111 VanDerWaalsContact O-CB 3.31Å; L107-T111 WeakPolarHBondContact O-CB 3.38Å; L107-T111 PolarHBondContact O-N 2.9Å; L107-T111 PolarHBondContact O-OG1 3.05Å; I108-T111 WeakPolarHBondContact O-CB 3.49Å; I108-T111 PolarHBondContact O-N 3.32Å; G109-T111 VanDerWaalsContact C-N 3.28Å; G109-T111 PolarHBondContact O-N 3.45Å; T111-R114 PolarHBondContact O-N 3.01Å; T111-R115 WeakPolarHBondContact O-CG 3.09Å; T111-R115 PolarHBondContact O-N 3.39Å; T111-L127 WeakPolarHBondContact OG1-CD2 3.44Å
112R87.8Confident81.7Confident37 Ų3738.9 Ų38.914%0.1421%0.208CC..Hα-helixtrans-61.7-50.6178.9-179.570.117899.64.3111.9A58 V61 I108 G109 R114 R115 L116A58-R112 HydrophobicContact CB-CB 4.34Å; A58-R112 WeakPolarHBondContact O-CD 3.39Å; V61-R112 PolarHBondContact O-NE 3.42Å; V61-R112 PolarHBondContact O-NH2 3.11Å; I108-R112 WeakPolarHBondContact O-CB 3.41Å; I108-R112 PolarHBondContact O-N 3.19Å; G109-R112 PolarHBondContact O-N 2.88Å; R112-R114 VanDerWaalsContact C-N 3.33Å; R112-R114 PolarHBondContact O-N 3.03Å; R112-R115 PolarHBondContact O-N 3.23Å; R112-L116 PolarHBondContact O-N 2.92Å
113K86.9Confident79.7Confident3 Ų342.2 Ų42.21%0.01323%0.231CC..Hα-helixtrans-59-45.1179.7-68.6-69179.7176.60111.2N66 D67 G109 R115 L116 A117 L164 W190N66-K113 WeakPolarHBondContact OD1-CD 3.49Å; N66-K113 PolarHBondContact OD1-NZ 3.49Å; D67-K113 PolarHBondContact O-NZ 2.96Å; G109-K113 WeakPolarHBondContact O-CG 3.37Å; G109-K113 PolarHBondContact O-N 2.93Å; K113-R115 VanDerWaalsContact C-N 3.33Å; K113-R115 PolarHBondContact O-N 3.45Å; K113-L116 PolarHBondContact O-N 3.07Å; K113-A117 PolarHBondContact O-N 2.99Å; K113-A117 VanDerWaalsContact O-N 3.12Å; K113-L164 HydrophobicContact CB-CD1 3.92Å; K113-L164 HydrophobicContact CB-CD2 4.23Å; K113-W190 HydrophobicContact CG-CH2 4.21Å; K113-W190 HydrophobicContact CG-CZ2 4.18Å
114R82.1Confident77.4Confident65 Ų6549.9 Ų49.925%0.24526%0.264CS..Hα-helixtrans-65-36178.1-167.959.7175.2-1723.1113V110 T111 R112 A117 F118 A162V110-R114 WeakPolarHBondContact O-CB 3.42Å; V110-R114 PolarHBondContact O-N 3.42Å; T111-R114 PolarHBondContact O-N 3.01Å; R112-R114 VanDerWaalsContact C-N 3.33Å; R112-R114 PolarHBondContact O-N 3.03Å; R114-A117 PolarHBondContact O-N 3.4Å; R114-F118 PolarHBondContact O-N 3.1Å; R114-A162 WeakPolarHBondContact CD-O 3.31Å
115R79.5Confident75.4Confident82 Ų8257.2 Ų57.231%0.30929%0.293SS..Hα-helixtrans-68.5-33.2175.5-74.2179.871.375.5-8.6113.1D59 T111 R112 K113 F118 L119D59-R115 IonicContact OD1-CZ 2.78Å; D59-R115 VanDerWaalsContact OD1-CZ 3.27Å; D59-R115 IonicContact OD1-NE 3.36Å; D59-R115 PolarHBondContact OD1-NE 2.91Å; D59-R115 IonicContact OD1-NH2 3.42Å; D59-R115 PolarHBondContact OD1-NH2 3.37Å; D59-R115 IonicContact OD2-CZ 2.73Å; D59-R115 IonicContact OD2-NE 3.74Å; D59-R115 IonicContact OD2-NH2 3.92Å; D59-R115 PolarHBondContact OD2-NH2 2.85Å; T111-R115 WeakPolarHBondContact O-CG 3.09Å; T111-R115 PolarHBondContact O-N 3.39Å; R112-R115 PolarHBondContact O-N 3.23Å; K113-R115 VanDerWaalsContact C-N 3.33Å; K113-R115 PolarHBondContact O-N 3.45Å; R115-F118 WeakPolarHBondContact O-CB 3.18Å; R115-F118 PolarHBondContact O-N 3.31Å; R115-L119 PolarHBondContact O-N 3.4Å
116L73.9Confident73.8Confident33 Ų3360.8 Ų60.817%0.17331%0.314CS..Hα-helixtrans-66.2-47172.6-72.7172.2000111.4N66 R112 K113 F118 L119 E120N66-L116 HydrophobicContact CB-CD1 3.95Å; N66-L116 VanDerWaalsContact CG-CD1 3.41Å; R112-L116 PolarHBondContact O-N 2.92Å; K113-L116 PolarHBondContact O-N 3.07Å; L116-F118 PolarHBondContact O-N 2.99Å; L116-L119 HydrophobicContact CD2-CD1 4.5Å; L116-L119 PolarHBondContact O-N 3.29Å; L116-E120 PolarHBondContact O-N 3.08Å
117A71.1Confident72.7Confident25 Ų2561.6 Ų61.621%0.20732%0.319CS..Hα-helixtrans-60.5-30.2176.100000112.7K113 R114 E120 C121K113-A117 PolarHBondContact O-N 2.99Å; K113-A117 VanDerWaalsContact O-N 3.12Å; R114-A117 PolarHBondContact O-N 3.4Å; A117-E120 PolarHBondContact O-N 3.49Å; A117-C121 WeakPolarHBondContact O-CB 3.26Å; A117-C121 PolarHBondContact O-N 2.97Å
118F62.2Low72Confident79 Ų7967.8 Ų67.835%0.34635%0.345SS..Hα-helixtrans-67.3-37173.3176.1-100.5000113.4R114 R115 L116 E120 C121 C123 F124R114-F118 PolarHBondContact O-N 3.1Å; R115-F118 WeakPolarHBondContact O-CB 3.18Å; R115-F118 PolarHBondContact O-N 3.31Å; L116-F118 PolarHBondContact O-N 2.99Å; F118-E120 PolarHBondContact O-N 2.93Å; F118-C121 CarbonylContact O-C 3.55Å; F118-C123 WeakPolarHBondContact CD2-O 3.45Å; F118-F124 HydrophobicContact CE2-CB 4.22Å; F118-F124 AromaticContact CE2-CD2 3.67Å; F118-F124 HydrophobicContact CE2-CD2 3.67Å; F118-F124 HydrophobicContact CE2-CG 4.3Å; F118-F124 AromaticContact CZ-CD2 3.78Å; F118-F124 HydrophobicContact CZ-CD2 3.78Å; F118-F124 HydrophobicContact CZ-CE2 4.27Å
119L59.3Low71.7Confident140 Ų14068 Ų6873%0.73335%0.347SS*.Hα-helixtrans-67.7-25.6176.9-69.9168.2000111.8R115 L116R115-L119 PolarHBondContact O-N 3.4Å; L116-L119 HydrophobicContact CD2-CD1 4.5Å; L116-L119 PolarHBondContact O-N 3.29Å
120E58.5Low71.7Confident160 Ų16068 Ų6875%0.74835%0.347SS*.Hα-helixtrans-91.1-31.1178.2-66.5179.5-179.900113.2L116 A117 F118L116-E120 PolarHBondContact O-N 3.08Å; A117-E120 PolarHBondContact O-N 3.49Å; F118-E120 PolarHBondContact O-N 2.93Å
121C56Low71.8Confident83 Ų8373.2 Ų73.256%0.56137%0.37SS*.SBendtrans-128.5116.6-173.3-145.40000108.9A117 F118 C123A117-C121 WeakPolarHBondContact O-CB 3.26Å; A117-C121 PolarHBondContact O-N 2.97Å; F118-C121 CarbonylContact O-C 3.55Å; C121-C123 PolarHBondContact O-N 3.08Å
122A54.6Low72.1Confident105 Ų10573.2 Ų73.287%0.86837%0.37SS*.  trans-62.617.1-175.500000115.7F124A122-F124 PolarHBondContact O-N 2.75Å
123C52.4Low72.4Confident71 Ų7172.9 Ų72.948%0.4837%0.372SS..  trans-82106.9178.8-142.30000110.2F118 C121 Y125F118-C123 WeakPolarHBondContact CD2-O 3.45Å; C121-C123 PolarHBondContact O-N 3.08Å; C123-Y125 HydrophobicContact CB-CD2 4.4Å; C123-Y125 PolarHBondContact O-N 3.38Å
124F49.9Very low72.7Confident160 Ų16072.8 Ų72.870%0.70237%0.372SS*.  trans-73.669.1-179.2-160.6-94000112.5F118 A122 V126F118-F124 HydrophobicContact CE2-CB 4.22Å; F118-F124 AromaticContact CE2-CD2 3.67Å; F118-F124 HydrophobicContact CE2-CD2 3.67Å; F118-F124 HydrophobicContact CE2-CG 4.3Å; F118-F124 AromaticContact CZ-CD2 3.78Å; F118-F124 HydrophobicContact CZ-CD2 3.78Å; F118-F124 HydrophobicContact CZ-CE2 4.27Å; A122-F124 PolarHBondContact O-N 2.75Å; F124-V126 HydrophobicContact CD1-CG2 4.03Å; F124-V126 HydrophobicContact CE1-CG2 3.55Å; F124-V126 HydrophobicContact CE2-CG2 4.27Å; F124-V126 HydrophobicContact CZ-CG2 3.69Å
125Y53.6Low73Confident155 Ų15570.8 Ų70.861%0.60837%0.366SS*.  trans-103.186167.7-81-79.7000109.5C123C123-Y125 HydrophobicContact CB-CD2 4.4Å; C123-Y125 PolarHBondContact O-N 3.38Å
126V63.1Low73.2Confident75 Ų7567.8 Ų67.846%0.45536%0.355SS..PPolyproline II helixtrans-69.1131.4167.6-179.40000108.3F124 K128F124-V126 HydrophobicContact CD1-CG2 4.03Å; F124-V126 HydrophobicContact CE1-CG2 3.55Å; F124-V126 HydrophobicContact CE2-CG2 4.27Å; F124-V126 HydrophobicContact CZ-CG2 3.69Å; V126-K128 PolarHBondContact O-N 2.82Å; V126-K128 VanDerWaalsContact O-N 3.12Å
127L72.2Confident73.4Confident17 Ų1769.2 Ų69.29%0.08936%0.36CS..PPolyproline II helixtrans-58.1118.4172.1-173.269.7000108.5M51 L107 V110 T111 V161 A162M51-L127 HydrophobicContact CE-CB 4.13Å; M51-L127 HydrophobicContact CE-CD2 4.17Å; M51-L127 HydrophobicContact CE-CG 4.31Å; M51-L127 WeakPolarHBondContact CE-O 3.49Å; L107-L127 HydrophobicContact CD1-CD2 4.19Å; V110-L127 HydrophobicContact CG2-CD2 4.16Å; T111-L127 WeakPolarHBondContact OG1-CD2 3.44Å; L127-V161 HydrophobicContact CD1-CG1 4.29Å; L127-A162 HydrophobicContact CD1-CB 3.81Å
128K79.4Confident73.3Confident132 Ų13268.1 Ų68.157%0.57435%0.351SS*.PPolyproline II helixtrans-67.7155.5178-69.9-178.3178.6-179.80110.2T30 V126T30-K128 HydrophobicContact CG2-CB 4.15Å; T30-K128 HydrophobicContact CG2-CD 4.4Å; V126-K128 PolarHBondContact O-N 2.82Å; V126-K128 VanDerWaalsContact O-N 3.12Å
129S88.3Confident73.4Confident6 Ų667 Ų674%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-64.9149.4170.673.50000109.5T30 S31 D33 G34 R35T30-S129 CarbonylContact C-O 3.6Å; T30-S129 WeakPolarHBondContact CA-O 3.5Å; S31-S129 VanDerWaalsContact C-OG 3.29Å; S31-S129 WeakPolarHBondContact CB-OG 3.05Å; S31-S129 PolarHBondContact N-O 2.54Å; S31-S129 PolarHBondContact O-OG 2.85Å; D33-S129 PolarHBondContact OD1-OG 2.66Å; G34-S129 PolarHBondContact N-OG 2.98Å; R35-S129 WeakPolarHBondContact O-CB 3.31Å; R35-S129 PolarHBondContact O-OG 3.44Å
130V92.9Very high73.5Confident0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans-129.2141.5-172.5-63.60000111.5L28 F29 T30 V36 Y37 L107 V132 L158 V161L28-V130 HydrophobicContact CD1-CB 4.41Å; L28-V130 HydrophobicContact CD1-CG1 4.37Å; L28-V130 HydrophobicContact CD2-CB 4.22Å; L28-V130 HydrophobicContact CD2-CG1 3.92Å; L28-V130 HydrophobicContact CG-CB 4.22Å; L28-V130 HydrophobicContact CG-CG1 4.35Å; F29-V130 CarbonylContact O-C 3.54Å; F29-V130 VanDerWaalsContact O-CA 3.28Å; F29-V130 WeakPolarHBondContact O-CA 3.32Å; T30-V130 HydrophobicContact CG2-CG1 4.47Å; V36-V130 CarbonylContact C-O 3.53Å; V36-V130 VanDerWaalsContact CA-O 3.23Å; V36-V130 WeakPolarHBondContact CA-O 3.2Å; V36-V130 HydrophobicContact CG1-CG2 3.88Å; V36-V130 HydrophobicContact CG2-CG2 4.31Å; Y37-V130 PolarHBondContact N-O 3.22Å; L107-V130 HydrophobicContact CD1-CG2 4.46Å; V130-V132 HydrophobicContact CB-CG2 4.33Å; V130-V132 HydrophobicContact CG2-CG2 4.03Å; V130-L158 HydrophobicContact CG2-CD2 4.24Å; V130-V161 HydrophobicContact CG1-CG1 4.06Å
131K94.5Very high73.5Confident109 Ų10957.3 Ų57.347%0.47431%0.312SS..EExtended strand (participates in β ladder)trans-108.5116.7166.8175.9167.2-177172.60108.5L28 F29 Y37L28-K131 WeakPolarHBondContact CA-O 3.41Å; F29-K131 PolarHBondContact N-O 3.3Å; F29-K131 PolarHBondContact O-N 3.42Å; Y37-K131 HydrophobicContact CD2-CB 4.19Å
132V95.3Very high73.8Confident1 Ų154 Ų541%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-116.8126.7-175.3179.20000109.5I26 N27 L28 Y37 L38 S39 F103 V130 V134I26-V132 HydrophobicContact CD1-CG1 3.58Å; I26-V132 HydrophobicContact CG1-CG1 3.86Å; N27-V132 WeakPolarHBondContact O-CA 3.28Å; L28-V132 HydrophobicContact CB-CG2 4.32Å; L28-V132 HydrophobicContact CD1-CG2 3.78Å; L28-V132 HydrophobicContact CG-CG2 3.83Å; Y37-V132 PolarHBondContact O-N 3.38Å; L38-V132 WeakPolarHBondContact CA-O 3.43Å; L38-V132 HydrophobicContact CD1-CB 4.3Å; L38-V132 HydrophobicContact CD1-CG1 4.11Å; S39-V132 PolarHBondContact N-O 2.9Å; F103-V132 HydrophobicContact CE2-CB 4.12Å; F103-V132 HydrophobicContact CE2-CG1 4.28Å; F103-V132 HydrophobicContact CE2-CG2 3.95Å; F103-V132 HydrophobicContact CZ-CB 4.5Å; F103-V132 HydrophobicContact CZ-CG2 4.26Å; V130-V132 HydrophobicContact CB-CG2 4.33Å; V130-V132 HydrophobicContact CG2-CG2 4.03Å; V132-V134 HydrophobicContact CG1-CG2 4.04Å
133T94.6Very high74.4Confident30 Ų3049.5 Ų49.518%0.18425%0.253CS..EExtended strand (participates in β ladder)trans-122.7127.1170.1-57.30000108.9I26 N27 S39 P41I26-T133 WeakPolarHBondContact CA-O 3.23Å; N27-T133 PolarHBondContact N-O 3.22Å; N27-T133 PolarHBondContact O-N 2.69Å; S39-T133 VanDerWaalsContact O-CA 3.32Å; S39-T133 WeakPolarHBondContact O-CA 3.43Å; P41-T133 HydrophobicContact CG-CG2 4.36Å
134V92.4Very high75.4Confident0 Ų046.1 Ų46.10%023%0.23CC..EExtended strand (participates in β ladder)trans-116.6128.7175.9-169.80000110T24 Y25 I26 S39 L40 P41 V132 F136 Y150T24-V134 HydrophobicContact CG2-CG1 3.4Å; Y25-V134 CarbonylContact O-C 3.52Å; Y25-V134 VanDerWaalsContact O-CA 3.3Å; Y25-V134 WeakPolarHBondContact O-CA 3.42Å; I26-V134 HydrophobicContact CB-CG2 4.27Å; I26-V134 HydrophobicContact CD1-CG2 4.07Å; I26-V134 HydrophobicContact CG1-CG2 4.06Å; S39-V134 PolarHBondContact O-N 3.5Å; L40-V134 HydrophobicContact CD2-CB 3.66Å; L40-V134 HydrophobicContact CD2-CG2 3.91Å; P41-V134 WeakPolarHBondContact CD-O 3.32Å; V132-V134 HydrophobicContact CG1-CG2 4.04Å; V134-F136 HydrophobicContact CG1-CE2 4.48Å; V134-F136 HydrophobicContact CG1-CZ 4.36Å; V134-Y150 HydrophobicContact CB-CD2 4.37Å; V134-Y150 HydrophobicContact CB-CE2 4.38Å; V134-Y150 HydrophobicContact CG1-CD2 4.04Å; V134-Y150 HydrophobicContact CG2-CD2 4.32Å; V134-Y150 HydrophobicContact CG2-CE2 4.11Å
135N88.7Confident76.8Confident24 Ų2438.7 Ų38.713%0.12820%0.199CC..EExtended strand (participates in β ladder)trans-120.9140.3178.3-59.3-88.3000110Y25Y25-N135 PolarHBondContact N-O 2.96Å; Y25-N135 PolarHBondContact O-N 3.41Å
136F83.7Confident78.3Confident18 Ų1832.1 Ų32.18%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-106.7131.7179.7-57.9-92.6000110T24 D42 V134 L138 Y150T24-F136 HydrophobicContact CG2-CD1 3.83Å; T24-F136 HydrophobicContact CG2-CE1 3.83Å; T24-F136 WeakPolarHBondContact OG1-CD1 3.17Å; D42-F136 HydrophobicContact CB-CD2 3.97Å; D42-F136 WeakPolarHBondContact OD2-CD2 3.46Å; D42-F136 PolarHBondContact OD2-N 2.81Å; V134-F136 HydrophobicContact CG1-CE2 4.48Å; V134-F136 HydrophobicContact CG1-CZ 4.36Å; F136-L138 WeakPolarHBondContact CB-O 3.47Å; F136-L138 PolarHBondContact O-N 2.98Å; F136-Y150 AromaticContact CZ-CD2 3.91Å; F136-Y150 HydrophobicContact CZ-CD2 3.91Å; F136-Y150 HydrophobicContact CZ-CG 4.32Å
137K77.9Confident79.4Confident63 Ų6329.2 Ų29.227%0.27416%0.158SC..SBendtrans-71.9-21.8175-171.2167.4179176.90112.8L22 R23 E415L22-K137 HydrophobicContact CD2-CD 3.98Å; L22-K137 HydrophobicContact CD2-CG 4.21Å; R23-K137 WeakPolarHBondContact O-CB 3.46Å; R23-K137 PolarHBondContact O-N 2.93Å; K137-E415 IonicContact NZ-OE2 3.28Å; K137-E415 PolarHBondContact NZ-OE2 2.95Å
138L70.3Confident80.2Confident3 Ų328.4 Ų28.42%0.01615%0.154CC..SBendtrans-115.2154.9172.6-72.9174000110.4M1 L22 F136 S140 L144 L237 W397M1-L138 HydrophobicContact CE-CB 3.64Å; M1-L138 HydrophobicContact CE-CD1 3.97Å; M1-L138 HydrophobicContact CE-CG 3.91Å; M1-L138 HydrophobicContact SD-CB 3.89Å; M1-L138 HydrophobicContact SD-CD1 3.9Å; M1-L138 HydrophobicContact SD-CG 4.34Å; L22-L138 HydrophobicContact CB-CD1 3.81Å; L22-L138 HydrophobicContact CB-CG 3.99Å; L22-L138 HydrophobicContact CD1-CD1 3.37Å; L22-L138 HydrophobicContact CD1-CD2 3.84Å; L22-L138 HydrophobicContact CD1-CG 3.71Å; L22-L138 HydrophobicContact CG-CD1 4.17Å; L22-L138 HydrophobicContact CG-CG 4.32Å; F136-L138 WeakPolarHBondContact CB-O 3.47Å; F136-L138 PolarHBondContact O-N 2.98Å; L138-S140 PolarHBondContact O-N 3.47Å; L138-L144 HydrophobicContact CD1-CD1 3.29Å; L138-L237 HydrophobicContact CD1-CD2 4.04Å; L138-W397 HydrophobicContact CD2-CD2 3.78Å; L138-W397 HydrophobicContact CD2-CE3 4.1Å; L138-W397 HydrophobicContact CD2-CG 4.36Å; L138-W397 HydrophobicContact CD2-CH2 3.93Å; L138-W397 HydrophobicContact CD2-CZ2 3.62Å; L138-W397 HydrophobicContact CD2-CZ3 4.17Å
139P64.4Low80.8Confident56 Ų5622.5 Ų22.536%0.36413%0.13SC..  trans-50.5135.8167.2-21.932000110.4V142P139-V142 HydrophobicContact CB-CG1 4.1Å; P139-V142 WeakPolarHBondContact O-CG2 3.26Å
140S61.2Low81.1Confident29 Ų2922.5 Ų22.520%0.20313%0.129CC..THydrogen-bonded Turntrans-63.7157.9174.259.50000110.8L43 L138 V142L43-S140 VanDerWaalsContact CD2-OG 3.23Å; L43-S140 WeakPolarHBondContact CD2-OG 3.19Å; L138-S140 PolarHBondContact O-N 3.47Å; S140-V142 VanDerWaalsContact C-N 3.33Å; S140-V142 PolarHBondContact O-N 3.45Å
141C58.4Low81.2Confident66 Ų6622.6 Ų22.645%0.44613%0.129SC..THydrogen-bonded Turntrans69.612.9171.2-51.90000117.6G143C141-G143 VanDerWaalsContact C-N 3.28Å; C141-G143 PolarHBondContact O-N 3.04Å
142V62.6Low81.2Confident15 Ų1517.5 Ų17.59%0.09111%0.108CC..SBendtrans-86.110.5178.4-60.40000114.8P139 S140 L144 N239 S368P139-V142 HydrophobicContact CB-CG1 4.1Å; P139-V142 WeakPolarHBondContact O-CG2 3.26Å; S140-V142 VanDerWaalsContact C-N 3.33Å; S140-V142 PolarHBondContact O-N 3.45Å; V142-L144 HydrophobicContact CG2-CB 4.37Å; V142-L144 HydrophobicContact CG2-CD1 3.5Å; V142-L144 VanDerWaalsContact CG2-CD1 3.5Å; V142-L144 HydrophobicContact CG2-CG 3.86Å; V142-N239 WeakPolarHBondContact CG1-ND2 3.43Å; V142-S368 WeakPolarHBondContact CB-OG 3.28Å; V142-S368 WeakPolarHBondContact O-CB 3.27Å; V142-S368 PolarHBondContact O-N 3.47Å; V142-S368 PolarHBondContact O-OG 3.41Å
143G65.6Low81.3Confident9 Ų918.2 Ų18.29%0.09311%0.112CC..SBendtrans75.645.217800000113.9C141 T361C141-G143 VanDerWaalsContact C-N 3.28Å; C141-G143 PolarHBondContact O-N 3.04Å; G143-T361 VanDerWaalsContact O-CB 3.26Å; G143-T361 WeakPolarHBondContact O-CB 3.31Å; G143-T361 PolarHBondContact O-OG1 3.19Å
144L74.3Confident81.4Confident1 Ų116.9 Ų16.91%0.00510%0.104CC..SBendtrans-128.629-178.2-60.9173.1000112.4M1 S2 P3 I20 L138 V142 S146 L237 T361M1-L144 CarbonylContact C-O 3.51Å; M1-L144 VanDerWaalsContact CA-O 3.28Å; M1-L144 WeakPolarHBondContact CA-O 3.3Å; M1-L144 HydrophobicContact CB-CB 4.4Å; M1-L144 WeakPolarHBondContact CB-O 3.23Å; M1-L144 VanDerWaalsContact CG-O 3.26Å; M1-L144 WeakPolarHBondContact CG-O 3.3Å; M1-L144 HydrophobicContact SD-CB 4.45Å; S2-L144 PolarHBondContact N-O 3.4Å; S2-L144 CarbonylContact O-C 3.51Å; S2-L144 VanDerWaalsContact O-CA 3.22Å; S2-L144 WeakPolarHBondContact O-CA 3.47Å; P3-L144 HydrophobicContact CB-CD2 4.25Å; I20-L144 HydrophobicContact CD1-CD1 4.39Å; I20-L144 HydrophobicContact CD1-CD2 4.26Å; L138-L144 HydrophobicContact CD1-CD1 3.29Å; V142-L144 HydrophobicContact CG2-CB 4.37Å; V142-L144 HydrophobicContact CG2-CD1 3.5Å; V142-L144 VanDerWaalsContact CG2-CD1 3.5Å; V142-L144 HydrophobicContact CG2-CG 3.86Å; L144-S146 PolarHBondContact O-N 2.83Å; L144-L237 HydrophobicContact CD1-CD1 4.03Å; L144-L237 HydrophobicContact CD1-CD2 3.59Å; L144-L237 HydrophobicContact CD1-CG 4.36Å; L144-L237 HydrophobicContact CD2-CD1 3.69Å; L144-L237 HydrophobicContact CD2-CD2 4.49Å; L144-L237 HydrophobicContact CG-CD1 4.5Å; L144-T361 HydrophobicContact CD2-CG2 4.11Å
145G79.4Confident81.6Confident4 Ų416.9 Ų16.94%0.04110%0.104CC..SBendtrans61.336.517900000115.3S2 S147 A149 D206S2-G145 PolarHBondContact O-N 2.96Å; G145-S147 VanDerWaalsContact C-N 3.32Å; G145-A149 PolarHBondContact O-N 3.07Å; G145-D206 WeakPolarHBondContact CA-OD2 3.48Å
146S84.4Confident82Confident16 Ų1616 Ų1611%0.11210%0.1CC..Hα-helixtrans-67.6-32.117760.10000112.6L144 Y150L144-S146 PolarHBondContact O-N 2.83Å; S146-Y150 VanDerWaalsContact O-CB 3.26Å; S146-Y150 WeakPolarHBondContact O-CB 3.4Å; S146-Y150 PolarHBondContact O-N 2.81Å
147S87.4Confident82.6Confident15 Ų1515.9 Ų15.911%0.10510%0.102CC..Hα-helixtrans-66.6-46.9174.539.30000111.3G145 A149 Y150 C151 H199G145-S147 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 3.42Å; S147-Y150 WeakPolarHBondContact O-CB 3.45Å; S147-Y150 PolarHBondContact O-N 2.85Å; S147-C151 WeakPolarHBondContact O-CB 3.34Å; S147-C151 PolarHBondContact O-N 2.93Å; S147-C151 PolarHBondContact O-SG 2.86Å; S147-H199 WeakPolarHBondContact CB-NE2 3.41Å; S147-H199 PolarHBondContact OG-CD2 3.1Å; S147-H199 PolarHBondContact OG-NE2 3.35Å
148G89.6Confident83.4Confident0 Ų013 Ų130%09%0.09CC..Hα-helixtrans-57.4-48.1172.500000111.9Y150 C151 V152 E195G148-Y150 PolarHBondContact O-N 2.71Å; G148-C151 PolarHBondContact O-N 3.37Å; G148-V152 WeakPolarHBondContact O-CB 3.46Å; G148-V152 VanDerWaalsContact O-CG2 3.28Å; G148-V152 WeakPolarHBondContact O-CG2 3.29Å; G148-V152 PolarHBondContact O-N 2.9Å; G148-E195 WeakPolarHBondContact CA-OE1 3.31Å; G148-E195 PolarHBondContact N-OE1 3.36Å
149A91.6Very high84.6Confident7 Ų712.8 Ų12.86%0.0589%0.089CC..Hα-helixtrans-60.8-43.2176.800000112.7M1 T24 G145 S147 V152 C153 C210M1-A149 HydrophobicContact CG-CB 4.36Å; T24-A149 WeakPolarHBondContact OG1-CB 3.48Å; G145-A149 PolarHBondContact O-N 3.07Å; S147-A149 PolarHBondContact O-N 3.42Å; A149-V152 PolarHBondContact O-N 3.44Å; A149-C153 WeakPolarHBondContact O-CB 3.32Å; A149-C153 PolarHBondContact O-N 3.25Å; A149-C153 PolarHBondContact O-SG 2.98Å; A149-C153 VanDerWaalsContact O-SG 3.35Å; A149-C210 PolarHBondContact N-SG 2.64Å
150Y93.1Very high85.9Confident6 Ų612.9 Ų12.92%0.0248%0.084CC..Hα-helixtrans-58.8-49.6174.8171.7-106.9000112.2L40 A99 A102 V134 F136 S146 S147 G148 V152 C153 I154 I198L40-Y150 HydrophobicContact CD1-CE2 4.1Å; L40-Y150 HydrophobicContact CD2-CD2 4.46Å; L40-Y150 HydrophobicContact CD2-CE2 3.58Å; A99-Y150 HydrophobicContact CB-CE1 4.11Å; A99-Y150 PolarHBondContact O-OH 3.4Å; A102-Y150 HydrophobicContact CB-CE1 4.3Å; V134-Y150 HydrophobicContact CB-CD2 4.37Å; V134-Y150 HydrophobicContact CB-CE2 4.38Å; V134-Y150 HydrophobicContact CG1-CD2 4.04Å; V134-Y150 HydrophobicContact CG2-CD2 4.32Å; V134-Y150 HydrophobicContact CG2-CE2 4.11Å; F136-Y150 AromaticContact CZ-CD2 3.91Å; F136-Y150 HydrophobicContact CZ-CD2 3.91Å; F136-Y150 HydrophobicContact CZ-CG 4.32Å; S146-Y150 VanDerWaalsContact O-CB 3.26Å; S146-Y150 WeakPolarHBondContact O-CB 3.4Å; S146-Y150 PolarHBondContact O-N 2.81Å; S147-Y150 WeakPolarHBondContact O-CB 3.45Å; S147-Y150 PolarHBondContact O-N 2.85Å; G148-Y150 PolarHBondContact O-N 2.71Å; Y150-V152 PolarHBondContact O-N 3.49Å; Y150-C153 PolarHBondContact O-N 3.36Å; Y150-I154 HydrophobicContact CD1-CD1 4.03Å; Y150-I154 HydrophobicContact CD2-CD1 3.81Å; Y150-I154 HydrophobicContact CE1-CD1 3.47Å; Y150-I154 VanDerWaalsContact CE1-CD1 3.47Å; Y150-I154 HydrophobicContact CE2-CD1 3.2Å; Y150-I154 HydrophobicContact CE2-CG1 4.22Å; Y150-I154 HydrophobicContact CG-CD1 4.19Å; Y150-I154 PolarHBondContact O-N 3.06Å; Y150-I154 VanDerWaalsContact OH-CD1 3.22Å; Y150-I154 WeakPolarHBondContact OH-CD1 3.41Å; Y150-I198 HydrophobicContact CD1-CD1 4.28Å
151C95Very high87.4Confident2 Ų214 Ų141%0.0149%0.09CC..Hα-helixtrans-65.1-39.5-179.1-65.50000111.8S147 G148 I154 A155 A191 A194 E195S147-C151 WeakPolarHBondContact O-CB 3.34Å; S147-C151 PolarHBondContact O-N 2.93Å; S147-C151 PolarHBondContact O-SG 2.86Å; G148-C151 PolarHBondContact O-N 3.37Å; C151-I154 PolarHBondContact O-N 3.17Å; C151-A155 WeakPolarHBondContact O-CB 3.48Å; C151-A155 PolarHBondContact O-N 3.5Å; C151-A191 HydrophobicContact CB-CB 4.05Å; C151-A191 WeakPolarHBondContact CB-O 3.47Å; C151-A194 HydrophobicContact CB-CB 4.1Å; C151-E195 HydrophobicContact CB-CB 4.38Å
152V96.4Very high88.9Confident3 Ų311.1 Ų11.12%0.0187%0.071CC..Hα-helixtrans-64-46.4175169.70000111.4G148 A149 Y150 I154 A155 A156 I187 A191 A207 C210 T211 V406G148-V152 WeakPolarHBondContact O-CB 3.46Å; G148-V152 VanDerWaalsContact O-CG2 3.28Å; G148-V152 WeakPolarHBondContact O-CG2 3.29Å; G148-V152 PolarHBondContact O-N 2.9Å; A149-V152 PolarHBondContact O-N 3.44Å; Y150-V152 PolarHBondContact O-N 3.49Å; V152-I154 PolarHBondContact O-N 3.43Å; V152-A155 PolarHBondContact O-N 3.34Å; V152-A156 VanDerWaalsContact O-CB 3.28Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3Å; V152-I187 HydrophobicContact CG1-CG2 4.02Å; V152-A191 HydrophobicContact CB-CB 4.25Å; V152-A191 HydrophobicContact CG2-CB 3.52Å; V152-A207 HydrophobicContact CG2-CB 4.42Å; V152-A207 WeakPolarHBondContact CG2-O 3.38Å; V152-C210 HydrophobicContact CB-CB 4.24Å; V152-C210 HydrophobicContact CG2-CB 3.81Å; V152-T211 VanDerWaalsContact CG2-OG1 3.32Å; V152-T211 WeakPolarHBondContact CG2-OG1 3.39Å; V152-V406 HydrophobicContact CG1-CB 3.6Å; V152-V406 HydrophobicContact CG1-CG1 4.33Å; V152-V406 HydrophobicContact CG1-CG2 3.7Å
153C95.6Very high90.1Very high16 Ų1612.6 Ų12.611%0.1089%0.089CC..Hα-helixtrans-58.3-47.9176.4-78.30000112T24 I26 A149 Y150 A157T24-C153 PolarHBondContact O-SG 2.8Å; T24-C153 VanDerWaalsContact O-SG 3.4Å; I26-C153 HydrophobicContact CB-CB 3.95Å; I26-C153 HydrophobicContact CG2-CB 3.7Å; A149-C153 WeakPolarHBondContact O-CB 3.32Å; A149-C153 PolarHBondContact O-N 3.25Å; A149-C153 PolarHBondContact O-SG 2.98Å; A149-C153 VanDerWaalsContact O-SG 3.35Å; Y150-C153 PolarHBondContact O-N 3.36Å; C153-A157 VanDerWaalsContact O-CB 3.3Å; C153-A157 WeakPolarHBondContact O-CB 3.41Å; C153-A157 PolarHBondContact O-N 3.47Å
154I96.5Very high91.3Very high2 Ų213.8 Ų13.81%0.019%0.093CC..Hα-helixtrans-65.4-47.3179.3-74.3171.7000111.3I26 F103 V106 Y150 C151 V152 A157 L158I26-I154 HydrophobicContact CD1-CG1 4.03Å; F103-I154 HydrophobicContact CB-CD1 4.12Å; F103-I154 HydrophobicContact CD2-CD1 3.92Å; F103-I154 HydrophobicContact CD2-CG1 4.31Å; F103-I154 HydrophobicContact CD2-CG2 4.05Å; V106-I154 HydrophobicContact CB-CG2 3.91Å; V106-I154 HydrophobicContact CG1-CG2 4.03Å; V106-I154 HydrophobicContact CG2-CG2 4.1Å; Y150-I154 HydrophobicContact CD1-CD1 4.03Å; Y150-I154 HydrophobicContact CD2-CD1 3.81Å; Y150-I154 HydrophobicContact CE1-CD1 3.47Å; Y150-I154 VanDerWaalsContact CE1-CD1 3.47Å; Y150-I154 HydrophobicContact CE2-CD1 3.2Å; Y150-I154 HydrophobicContact CE2-CG1 4.22Å; Y150-I154 HydrophobicContact CG-CD1 4.19Å; Y150-I154 PolarHBondContact O-N 3.06Å; Y150-I154 VanDerWaalsContact OH-CD1 3.22Å; Y150-I154 WeakPolarHBondContact OH-CD1 3.41Å; C151-I154 PolarHBondContact O-N 3.17Å; V152-I154 PolarHBondContact O-N 3.43Å; I154-A157 PolarHBondContact O-N 2.93Å; I154-L158 HydrophobicContact CG2-CD1 3.57Å; I154-L158 HydrophobicContact CG2-CG 4.2Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.36Å; I154-L158 WeakPolarHBondContact O-CG 3.32Å; I154-L158 PolarHBondContact O-N 2.89Å
155A97.3Very high92.2Very high0 Ų014 Ų140%09%0.094CC..Hα-helixtrans-57.4-52.7178.500000110.5C151 V152 A157 L158 L159 I187 W190 A191C151-A155 WeakPolarHBondContact O-CB 3.48Å; C151-A155 PolarHBondContact O-N 3.5Å; V152-A155 PolarHBondContact O-N 3.34Å; A155-A157 PolarHBondContact O-N 3Å; A155-L158 PolarHBondContact O-N 3.01Å; A155-L159 HydrophobicContact CB-CD1 4.36Å; A155-L159 WeakPolarHBondContact O-CB 3.42Å; A155-L159 VanDerWaalsContact O-CD1 3.32Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 WeakPolarHBondContact O-CG 3.46Å; A155-L159 PolarHBondContact O-N 3.06Å; A155-I187 HydrophobicContact CB-CG2 4.36Å; A155-W190 HydrophobicContact CB-CB 3.94Å; A155-A191 HydrophobicContact CB-CB 4.22Å
156A97.6Very high92.9Very high4 Ų416.5 Ų16.53%0.03311%0.11CC..Hα-helixtrans-58.2-48.9179.500000112.3V152 Q160 W179 I187 V406V152-A156 VanDerWaalsContact O-CB 3.28Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3Å; A156-Q160 VanDerWaalsContact O-CB 3.27Å; A156-Q160 WeakPolarHBondContact O-CB 3.32Å; A156-Q160 PolarHBondContact O-N 3Å; A156-W179 HydrophobicContact CB-CH2 3.99Å; A156-W179 HydrophobicContact CB-CZ2 4.44Å; A156-W179 HydrophobicContact CB-CZ3 4.4Å; A156-I187 HydrophobicContact CB-CD1 3.91Å; A156-I187 HydrophobicContact CB-CG1 4.22Å; A156-I187 HydrophobicContact CB-CG2 4.11Å; A156-V406 HydrophobicContact CB-CG2 3.91Å
157A95.6Very high93.3Very high16 Ų1620.4 Ų20.413%0.13213%0.133CC..Hα-helixtrans-65.9-45.7-177.800000112.6I26 L28 C153 I154 A155 V161I26-A157 HydrophobicContact CD1-CB 3.67Å; I26-A157 HydrophobicContact CG1-CB 4.28Å; I26-A157 HydrophobicContact CG2-CB 4.26Å; L28-A157 HydrophobicContact CD1-CB 3.96Å; C153-A157 VanDerWaalsContact O-CB 3.3Å; C153-A157 WeakPolarHBondContact O-CB 3.41Å; C153-A157 PolarHBondContact O-N 3.47Å; I154-A157 PolarHBondContact O-N 2.93Å; A155-A157 PolarHBondContact O-N 3Å; A157-V161 WeakPolarHBondContact O-CB 3.33Å; A157-V161 WeakPolarHBondContact O-CG2 3.29Å; A157-V161 PolarHBondContact O-N 3.14Å
158L95.1Very high93.7Very high2 Ų220.2 Ų20.21%0.0113%0.131CC..Hα-helixtrans-73.8-38.1-177.9-68.3-178.4000112.5L28 F103 V106 L107 V110 V130 I154 A155 Q160 V161 A162L28-L158 HydrophobicContact CD1-CD2 3.81Å; F103-L158 HydrophobicContact CD2-CD1 4.34Å; F103-L158 HydrophobicContact CE2-CD1 4.08Å; V106-L158 HydrophobicContact CB-CD1 4.07Å; V106-L158 HydrophobicContact CG1-CB 4.01Å; V106-L158 HydrophobicContact CG1-CD1 3.72Å; V106-L158 HydrophobicContact CG1-CG 4.45Å; L107-L158 HydrophobicContact CB-CD1 3.98Å; L107-L158 HydrophobicContact CD1-CD1 4.28Å; L107-L158 HydrophobicContact CD1-CD2 4.04Å; V110-L158 HydrophobicContact CG1-CB 4.38Å; V110-L158 HydrophobicContact CG2-CB 4.17Å; V130-L158 HydrophobicContact CG2-CD2 4.24Å; I154-L158 HydrophobicContact CG2-CD1 3.57Å; I154-L158 HydrophobicContact CG2-CG 4.2Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.36Å; I154-L158 WeakPolarHBondContact O-CG 3.32Å; I154-L158 PolarHBondContact O-N 2.89Å; A155-L158 PolarHBondContact O-N 3.01Å; L158-Q160 VanDerWaalsContact C-N 3.34Å; L158-V161 PolarHBondContact O-N 2.88Å; L158-A162 WeakPolarHBondContact O-CB 3.43Å; L158-A162 PolarHBondContact O-N 2.92Å
159L94.8Very high93.9Very high0 Ų025.6 Ų25.60%016%0.16CC..Hα-helixtrans-61.8-43.3173.4-73.3166.5000111.1V110 A155 G163 L164 I165 V186 I187 W190V110-L159 HydrophobicContact CG1-CD2 3.87Å; V110-L159 HydrophobicContact CG1-CG 4.26Å; A155-L159 HydrophobicContact CB-CD1 4.36Å; A155-L159 WeakPolarHBondContact O-CB 3.42Å; A155-L159 VanDerWaalsContact O-CD1 3.32Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 WeakPolarHBondContact O-CG 3.46Å; A155-L159 PolarHBondContact O-N 3.06Å; L159-G163 PolarHBondContact O-N 2.95Å; L159-L164 HydrophobicContact CD2-CB 3.95Å; L159-L164 HydrophobicContact CD2-CD1 3.9Å; L159-L164 PolarHBondContact O-N 2.99Å; L159-I165 HydrophobicContact CB-CD1 3.74Å; L159-I165 HydrophobicContact CB-CG1 3.79Å; L159-I165 HydrophobicContact CB-CG2 4.23Å; L159-I165 PolarHBondContact O-N 3Å; L159-V186 HydrophobicContact CD1-CG1 4.04Å; L159-V186 HydrophobicContact CD2-CG1 4.44Å; L159-I187 HydrophobicContact CD1-CG1 4.18Å; L159-W190 HydrophobicContact CD1-CB 4.21Å; L159-W190 HydrophobicContact CD1-CD2 4.47Å; L159-W190 HydrophobicContact CD1-CG 4.02Å; L159-W190 HydrophobicContact CD2-CD2 3.97Å; L159-W190 HydrophobicContact CD2-CE3 4.47Å; L159-W190 HydrophobicContact CD2-CG 4.3Å; L159-W190 HydrophobicContact CD2-CZ2 4.04Å
160Q93.4Very high94.1Very high58 Ų5827.8 Ų27.827%0.27117%0.172SC..Hα-helixtrans-66.2-46.2179.2-176.3-174.7-33.900111.2A156 L158 A162 G163 I165 W179A156-Q160 VanDerWaalsContact O-CB 3.27Å; A156-Q160 WeakPolarHBondContact O-CB 3.32Å; A156-Q160 PolarHBondContact O-N 3Å; L158-Q160 VanDerWaalsContact C-N 3.34Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.31Å; Q160-G163 WeakPolarHBondContact O-CA 3.09Å; Q160-G163 PolarHBondContact O-N 2.73Å; Q160-I165 HydrophobicContact CB-CD1 4.33Å; Q160-I165 HydrophobicContact CB-CG1 4Å; Q160-W179 VanDerWaalsContact OE1-CZ2 3.29Å
161V91.4Very high94Very high52 Ų5232.1 Ų32.132%0.31520%0.202SC..Hα-helixtrans-67.3-32.4-179.8170.30000112.1L28 T30 L127 V130 A157 L158 G163L28-V161 HydrophobicContact CD1-CG2 3.93Å; L28-V161 HydrophobicContact CD2-CB 4.42Å; L28-V161 HydrophobicContact CD2-CG1 4.3Å; L28-V161 HydrophobicContact CD2-CG2 3.48Å; L28-V161 VanDerWaalsContact CD2-CG2 3.48Å; L28-V161 HydrophobicContact CG-CG2 4.32Å; T30-V161 HydrophobicContact CG2-CG1 4.04Å; L127-V161 HydrophobicContact CD1-CG1 4.29Å; V130-V161 HydrophobicContact CG1-CG1 4.06Å; A157-V161 WeakPolarHBondContact O-CB 3.33Å; A157-V161 WeakPolarHBondContact O-CG2 3.29Å; A157-V161 PolarHBondContact O-N 3.14Å; L158-V161 PolarHBondContact O-N 2.88Å; V161-G163 PolarHBondContact O-N 3.27Å
162A89.6Confident93.6Very high5 Ų533.1 Ų33.14%0.04121%0.208CC..THydrogen-bonded Turntrans-74-8.8171.500000113.6V110 R114 L127 L158 Q160 L164V110-A162 HydrophobicContact CB-CB 3.83Å; V110-A162 HydrophobicContact CG2-CB 4.16Å; R114-A162 WeakPolarHBondContact CD-O 3.31Å; L127-A162 HydrophobicContact CD1-CB 3.81Å; L158-A162 WeakPolarHBondContact O-CB 3.43Å; L158-A162 PolarHBondContact O-N 2.92Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.31Å; A162-L164 VanDerWaalsContact C-N 3.27Å; A162-L164 HydrophobicContact CB-CD1 4.18Å; A162-L164 HydrophobicContact CB-CG 4.1Å; A162-L164 PolarHBondContact O-N 3.42Å
163G89Confident92.7Very high46 Ų4640.9 Ų40.947%0.47425%0.249SC..THydrogen-bonded Turntrans69.122.8-177.100000113.7L159 Q160 V161L159-G163 PolarHBondContact O-N 2.95Å; Q160-G163 WeakPolarHBondContact O-CA 3.09Å; Q160-G163 PolarHBondContact O-N 2.73Å; V161-G163 PolarHBondContact O-N 3.27Å
164L89.8Confident91.8Very high35 Ų3542.6 Ų42.618%0.18327%0.269CS..SBendtrans-83.9-20.6175-64.5174.4000111.9V110 K113 L159 A162V110-L164 HydrophobicContact CB-CD1 3.96Å; V110-L164 HydrophobicContact CG1-CD1 3.99Å; K113-L164 HydrophobicContact CB-CD1 3.92Å; K113-L164 HydrophobicContact CB-CD2 4.23Å; L159-L164 HydrophobicContact CD2-CB 3.95Å; L159-L164 HydrophobicContact CD2-CD1 3.9Å; L159-L164 PolarHBondContact O-N 2.99Å; A162-L164 VanDerWaalsContact C-N 3.27Å; A162-L164 HydrophobicContact CB-CD1 4.18Å; A162-L164 HydrophobicContact CB-CG 4.1Å; A162-L164 PolarHBondContact O-N 3.42Å
165I93.1Very high91Very high5 Ų547.1 Ų47.13%0.02630%0.301CS..SBendtrans-130151.7166.166.8178.7000109L159 Q160 W179 H183 V186 I187L159-I165 HydrophobicContact CB-CD1 3.74Å; L159-I165 HydrophobicContact CB-CG1 3.79Å; L159-I165 HydrophobicContact CB-CG2 4.23Å; L159-I165 PolarHBondContact O-N 3Å; Q160-I165 HydrophobicContact CB-CD1 4.33Å; Q160-I165 HydrophobicContact CB-CG1 4Å; I165-W179 HydrophobicContact CD1-CZ2 4.23Å; I165-H183 HydrophobicContact CG2-CB 4.43Å; I165-V186 HydrophobicContact CG2-CB 4.47Å; I165-V186 HydrophobicContact CG2-CG1 4.26Å; I165-I187 HydrophobicContact CD1-CD1 3.78Å; I165-I187 HydrophobicContact CD1-CG1 3.82Å
166P94Very high90.7Very high57 Ų5747.4 Ų47.437%0.3730%0.304SS..PPolyproline II helixtrans-73.117117832.3-36.4000111.5W179 H183P166-W179 PolarHBondContact O-NE1 3.35Å; P166-H183 VanDerWaalsContact CD-CD2 3.5Å; P166-H183 WeakPolarHBondContact CD-CD2 3.27Å; P166-H183 VanDerWaalsContact CD-NE2 3.31Å; P166-H183 WeakPolarHBondContact CD-NE2 3.48Å
167T93.7Very high90.5Very high97 Ų9752.1 Ų52.160%0.59532%0.321SS*.PPolyproline II helixtrans-58.1137.7162.4-550000109.5
168P95.8Very high90.5Very high11 Ų1152.4 Ų52.47%0.07132%0.321CS..PPolyproline II helixtrans-62.3139.5179.821.3-29.4000111.5T178 W179P168-T178 WeakPolarHBondContact CA-O 3.34Å; P168-T178 VanDerWaalsContact CB-C 3.43Å; P168-T178 WeakPolarHBondContact CB-O 3.28Å; P168-W179 HydrophobicContact CB-CD2 3.74Å; P168-W179 HydrophobicContact CB-CE3 4.07Å; P168-W179 HydrophobicContact CB-CG 4.1Å; P168-W179 HydrophobicContact CB-CH2 4.45Å; P168-W179 HydrophobicContact CB-CZ2 4.17Å; P168-W179 HydrophobicContact CB-CZ3 4.39Å; P168-W179 HydrophobicContact CG-CD2 4.29Å; P168-W179 HydrophobicContact CG-CH2 4.04Å; P168-W179 HydrophobicContact CG-CZ2 3.79Å; P168-W179 HydrophobicContact CG-CZ3 4.39Å
169N93.1Very high90.6Very high114 Ų11452.7 Ų52.761%0.6132%0.322SS*.  trans-137.13.2-174.664.5-2.9000113.5T178N169-T178 PolarHBondContact N-O 3.49Å
170V95.3Very high90.7Very high52 Ų5254 Ų5432%0.31533%0.332SS..EExtended strand (participates in β ladder)trans-92.9118.2176.2-179.50000108.1Y177 T178V170-Y177 CarbonylContact O-C 3.59Å; V170-Y177 VanDerWaalsContact O-CA 3.31Å; V170-Y177 WeakPolarHBondContact O-CA 3.1Å; V170-T178 HydrophobicContact CB-CG2 3.82Å; V170-T178 WeakPolarHBondContact CB-O 3.44Å; V170-T178 HydrophobicContact CG1-CG2 3.89Å; V170-T178 PolarHBondContact N-O 3.14Å; V170-T178 PolarHBondContact O-N 3.03Å
171P91.4Very high90.7Very high98 Ų9856.1 Ų56.164%0.63635%0.35SS*.EExtended strand (participates in β ladder)trans-66.9153.1179.728.5-34.3000111.4
172T88.4Confident90.9Very high23 Ų2359 Ų5914%0.14136%0.363CS..  trans-120.5176.6172.765.60000109.9G174 A176 T178 V407T172-G174 PolarHBondContact O-N 2.98Å; T172-G174 VanDerWaalsContact O-O 3.11Å; T172-A176 PolarHBondContact N-O 3.49Å; T172-A176 PolarHBondContact OG1-O 3.43Å; T172-T178 HydrophobicContact CG2-CG2 3.89Å; T172-V407 HydrophobicContact CG2-CG1 3.93Å
173D76.7Confident91.2Very high166 Ų16661.3 Ų61.389%0.88837%0.372SS*.SBendtrans-60.41.5-179.7-62.2-24000115.3
174G76.2Confident91.6Very high52 Ų5259.9 Ų59.954%0.53635%0.354SS..SBendtrans-135.2-159.5175.600000112.9T172 A176T172-G174 PolarHBondContact O-N 2.98Å; T172-G174 VanDerWaalsContact O-O 3.11Å; G174-A176 PolarHBondContact O-N 3.05Å; G174-A176 VanDerWaalsContact O-N 3.15Å
175S80.7Confident91.8Very high97 Ų9760.2 Ų60.268%0.67836%0.356SS*.SBendtrans-77.68.3-18058.70000114.6
176A89.6Confident92Very high6 Ų660.3 Ų60.35%0.0536%0.357CS..  trans-101.2154.3-17600000111.5T172 G174 V407 S408T172-A176 PolarHBondContact N-O 3.49Å; T172-A176 PolarHBondContact OG1-O 3.43Å; G174-A176 PolarHBondContact O-N 3.05Å; G174-A176 VanDerWaalsContact O-N 3.15Å; A176-V407 HydrophobicContact CB-CB 3.92Å; A176-V407 HydrophobicContact CB-CG2 4.1Å; A176-S408 WeakPolarHBondContact CA-O 3.45Å
177Y94.1Very high92.2Very high103 Ų10357.6 Ų57.640%0.40434%0.339SS..EExtended strand (participates in β ladder)trans-115.8145.2178-62.4-94.4000110.1V170 V407 S408 T410V170-Y177 CarbonylContact O-C 3.59Å; V170-Y177 VanDerWaalsContact O-CA 3.31Å; V170-Y177 WeakPolarHBondContact O-CA 3.1Å; Y177-V407 CarbonylContact O-C 3.47Å; Y177-V407 WeakPolarHBondContact O-CA 3.44Å; Y177-S408 PolarHBondContact N-O 2.95Å; Y177-S408 PolarHBondContact O-N 2.78Å; Y177-T410 HydrophobicContact CE2-CG2 4.44Å
178T95.6Very high92.2Very high21 Ų2155.8 Ų55.813%0.12932%0.321CS..EExtended strand (participates in β ladder)trans-115.1-179.4169.3-163.60000110.4P168 N169 V170 T172 V406P168-T178 WeakPolarHBondContact CA-O 3.34Å; P168-T178 VanDerWaalsContact CB-C 3.43Å; P168-T178 WeakPolarHBondContact CB-O 3.28Å; N169-T178 PolarHBondContact N-O 3.49Å; V170-T178 HydrophobicContact CB-CG2 3.82Å; V170-T178 WeakPolarHBondContact CB-O 3.44Å; V170-T178 HydrophobicContact CG1-CG2 3.89Å; V170-T178 PolarHBondContact N-O 3.14Å; V170-T178 PolarHBondContact O-N 3.03Å; T172-T178 HydrophobicContact CG2-CG2 3.89Å; T178-V406 WeakPolarHBondContact CB-O 3.41Å; T178-V406 PolarHBondContact OG1-O 3.46Å
179W97Very high92.2Very high8 Ų858.5 Ų58.53%0.0333%0.332CS..  trans-97.1158.4-179.8-69.3-97.2000111.4A156 Q160 I165 P166 P168 H183 L184 I187 V406A156-W179 HydrophobicContact CB-CH2 3.99Å; A156-W179 HydrophobicContact CB-CZ2 4.44Å; A156-W179 HydrophobicContact CB-CZ3 4.4Å; Q160-W179 VanDerWaalsContact OE1-CZ2 3.29Å; I165-W179 HydrophobicContact CD1-CZ2 4.23Å; P166-W179 PolarHBondContact O-NE1 3.35Å; P168-W179 HydrophobicContact CB-CD2 3.74Å; P168-W179 HydrophobicContact CB-CE3 4.07Å; P168-W179 HydrophobicContact CB-CG 4.1Å; P168-W179 HydrophobicContact CB-CH2 4.45Å; P168-W179 HydrophobicContact CB-CZ2 4.17Å; P168-W179 HydrophobicContact CB-CZ3 4.39Å; P168-W179 HydrophobicContact CG-CD2 4.29Å; P168-W179 HydrophobicContact CG-CH2 4.04Å; P168-W179 HydrophobicContact CG-CZ2 3.79Å; P168-W179 HydrophobicContact CG-CZ3 4.39Å; W179-H183 HydrophobicContact CB-CB 3.8Å; W179-H183 HydrophobicContact CG-CB 4.23Å; W179-L184 HydrophobicContact CB-CD2 4.05Å; W179-L184 HydrophobicContact CB-CG 4.08Å; W179-L184 HydrophobicContact CE3-CD2 4.41Å; W179-L184 WeakPolarHBondContact O-CD1 3.37Å; W179-L184 WeakPolarHBondContact O-CG 3.43Å; W179-I187 HydrophobicContact CD2-CD1 3.78Å; W179-I187 HydrophobicContact CE3-CD1 3.83Å; W179-I187 HydrophobicContact CG-CD1 4.16Å; W179-I187 HydrophobicContact CZ3-CD1 4.3Å; W179-V406 HydrophobicContact CE3-CG1 3.94Å; W179-V406 HydrophobicContact CZ3-CB 4.47Å; W179-V406 HydrophobicContact CZ3-CG1 3.94Å; W179-V406 HydrophobicContact CZ3-CG2 3.92Å
180S96.3Very high92.3Very high29 Ų2953.1 Ų53.120%0.20330%0.303CS..  trans-59156.717067.40000111.6I182 H183 L184S180-I182 PolarHBondContact O-N 3.02Å; S180-H183 PolarHBondContact O-N 3.27Å; S180-H183 PolarHBondContact OG-ND1 3.03Å; S180-L184 PolarHBondContact O-N 2.88Å
181P94.2Very high92.3Very high102 Ų10250.6 Ų50.666%0.66229%0.288SS*.Hα-helixtrans-50.3-38.5-178.6-3035.8000115.3H183 L184 D185P181-H183 PolarHBondContact O-N 2.96Å; P181-L184 PolarHBondContact O-N 3.46Å; P181-D185 PolarHBondContact O-N 2.66Å
182I94.9Very high92.3Very high113 Ų11347 Ų4758%0.57927%0.265SS*.Hα-helixtrans-61.1-46.6178.9-62.6170.9000111.2S180 D185 V186S180-I182 PolarHBondContact O-N 3.02Å; I182-D185 PolarHBondContact O-N 2.85Å; I182-V186 PolarHBondContact O-N 2.91Å
183H96.4Very high92.5Very high52 Ų5246.7 Ų46.724%0.24127%0.265CS..Hα-helixtrans-75.9-32.8-178.8-62.4119.6000112I165 P166 W179 S180 P181 D185 V186 I187I165-H183 HydrophobicContact CG2-CB 4.43Å; P166-H183 VanDerWaalsContact CD-CD2 3.5Å; P166-H183 WeakPolarHBondContact CD-CD2 3.27Å; P166-H183 VanDerWaalsContact CD-NE2 3.31Å; P166-H183 WeakPolarHBondContact CD-NE2 3.48Å; W179-H183 HydrophobicContact CB-CB 3.8Å; W179-H183 HydrophobicContact CG-CB 4.23Å; S180-H183 PolarHBondContact O-N 3.27Å; S180-H183 PolarHBondContact OG-ND1 3.03Å; P181-H183 PolarHBondContact O-N 2.96Å; H183-D185 VanDerWaalsContact C-N 3.3Å; H183-D185 PolarHBondContact O-N 3.35Å; H183-V186 WeakPolarHBondContact O-CB 3.38Å; H183-V186 PolarHBondContact O-N 2.92Å; H183-I187 WeakPolarHBondContact O-CG1 3.21Å; H183-I187 PolarHBondContact O-N 3.26Å
184L96.9Very high93.3Very high16 Ų1638.8 Ų38.88%0.08422%0.223CC..Hα-helixtrans-60.8-40.8170.2-71.3177.5000111.2W179 S180 P181 V186 I187 R188 T211 Y212 V406W179-L184 HydrophobicContact CB-CD2 4.05Å; W179-L184 HydrophobicContact CB-CG 4.08Å; W179-L184 HydrophobicContact CE3-CD2 4.41Å; W179-L184 WeakPolarHBondContact O-CD1 3.37Å; W179-L184 WeakPolarHBondContact O-CG 3.43Å; S180-L184 PolarHBondContact O-N 2.88Å; P181-L184 PolarHBondContact O-N 3.46Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 3.45Å; L184-I187 HydrophobicContact CD2-CD1 4.4Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-R188 WeakPolarHBondContact O-CB 3.34Å; L184-R188 PolarHBondContact O-N 3.38Å; L184-T211 HydrophobicContact CB-CG2 4.03Å; L184-T211 HydrophobicContact CD2-CG2 3.97Å; L184-T211 VanDerWaalsContact O-CG2 3.29Å; L184-T211 WeakPolarHBondContact O-CG2 3.42Å; L184-Y212 HydrophobicContact CB-CD1 4.07Å; L184-Y212 HydrophobicContact CB-CE1 3.53Å; L184-Y212 HydrophobicContact CD1-CD1 3.93Å; L184-Y212 HydrophobicContact CD1-CE1 4.15Å; L184-Y212 HydrophobicContact CG-CE1 4.47Å; L184-V406 HydrophobicContact CD2-CG1 3.48Å; L184-V406 VanDerWaalsContact CD2-CG1 3.48Å
185D95.2Very high94Very high42 Ų4236.5 Ų36.523%0.22520%0.198CC..Hα-helixtrans-63.6-36175.3-175.753.7000112.7P181 I182 H183 R188 K189 Y212P181-D185 PolarHBondContact O-N 2.66Å; I182-D185 PolarHBondContact O-N 2.85Å; H183-D185 VanDerWaalsContact C-N 3.3Å; H183-D185 PolarHBondContact O-N 3.35Å; D185-R188 PolarHBondContact O-N 3.48Å; D185-R188 IonicContact OD1-CZ 3.27Å; D185-R188 VanDerWaalsContact OD1-CZ 3.3Å; D185-R188 IonicContact OD1-NE 2.74Å; D185-R188 PolarHBondContact OD1-NE 3.24Å; D185-R188 IonicContact OD1-NH2 2.97Å; D185-R188 PolarHBondContact OD1-NH2 2.88Å; D185-K189 WeakPolarHBondContact O-CB 3.36Å; D185-K189 VanDerWaalsContact O-CG 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.37Å; D185-K189 PolarHBondContact O-N 3.47Å; D185-K189 WeakPolarHBondContact OD2-CE 3.44Å; D185-K189 IonicContact OD2-NZ 2.96Å; D185-K189 PolarHBondContact OD2-NZ 3.48Å; D185-Y212 WeakPolarHBondContact CA-OH 3.31Å
186V96.5Very high94.4Very high7 Ų733.1 Ų33.14%0.04218%0.175CC..Hα-helixtrans-62.3-51171.5-179.90000110.5K69 L159 I165 I182 H183 L184 R188 K189 W190K69-V186 HydrophobicContact CB-CG2 4.04Å; K69-V186 HydrophobicContact CG-CG2 4.32Å; L159-V186 HydrophobicContact CD1-CG1 4.04Å; L159-V186 HydrophobicContact CD2-CG1 4.44Å; I165-V186 HydrophobicContact CG2-CB 4.47Å; I165-V186 HydrophobicContact CG2-CG1 4.26Å; I182-V186 PolarHBondContact O-N 2.91Å; H183-V186 WeakPolarHBondContact O-CB 3.38Å; H183-V186 PolarHBondContact O-N 2.92Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 3.45Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 2.95Å; V186-K189 PolarHBondContact O-N 3.02Å; V186-W190 PolarHBondContact O-N 3.48Å
187I97.7Very high94.4Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-55.1-48.7177.6-67.3166.4000110.4V152 A155 A156 L159 I165 W179 H183 L184 K189 W190 A191 T211 V406V152-I187 HydrophobicContact CG1-CG2 4.02Å; A155-I187 HydrophobicContact CB-CG2 4.36Å; A156-I187 HydrophobicContact CB-CD1 3.91Å; A156-I187 HydrophobicContact CB-CG1 4.22Å; A156-I187 HydrophobicContact CB-CG2 4.11Å; L159-I187 HydrophobicContact CD1-CG1 4.18Å; I165-I187 HydrophobicContact CD1-CD1 3.78Å; I165-I187 HydrophobicContact CD1-CG1 3.82Å; W179-I187 HydrophobicContact CD2-CD1 3.78Å; W179-I187 HydrophobicContact CE3-CD1 3.83Å; W179-I187 HydrophobicContact CG-CD1 4.16Å; W179-I187 HydrophobicContact CZ3-CD1 4.3Å; H183-I187 WeakPolarHBondContact O-CG1 3.21Å; H183-I187 PolarHBondContact O-N 3.26Å; L184-I187 HydrophobicContact CD2-CD1 4.4Å; L184-I187 PolarHBondContact O-N 3.45Å; I187-K189 PolarHBondContact O-N 2.92Å; I187-W190 PolarHBondContact O-N 3.43Å; I187-A191 VanDerWaalsContact O-CB 3.23Å; I187-A191 WeakPolarHBondContact O-CB 3.47Å; I187-A191 PolarHBondContact O-N 3.31Å; I187-T211 HydrophobicContact CB-CG2 4.36Å; I187-T211 HydrophobicContact CG2-CG2 4.25Å; I187-V406 HydrophobicContact CD1-CG1 4.18Å
188R95.3Very high94Very high59 Ų5931 Ų3122%0.22317%0.169CC..Hα-helixtrans-57.4-47.4179.1-179-167.371.183.2-1.2112.1L184 D185 V186 A191 S192 T208 T211 Y212L184-R188 WeakPolarHBondContact O-CB 3.34Å; L184-R188 PolarHBondContact O-N 3.38Å; D185-R188 PolarHBondContact O-N 3.48Å; D185-R188 IonicContact OD1-CZ 3.27Å; D185-R188 VanDerWaalsContact OD1-CZ 3.3Å; D185-R188 IonicContact OD1-NE 2.74Å; D185-R188 PolarHBondContact OD1-NE 3.24Å; D185-R188 IonicContact OD1-NH2 2.97Å; D185-R188 PolarHBondContact OD1-NH2 2.88Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 2.95Å; R188-A191 PolarHBondContact O-N 3.19Å; R188-S192 VanDerWaalsContact O-CB 3.32Å; R188-S192 WeakPolarHBondContact O-CB 3.29Å; R188-S192 PolarHBondContact O-N 3.19Å; R188-S192 PolarHBondContact O-OG 2.93Å; R188-T208 WeakPolarHBondContact CD-OG1 3.48Å; R188-T211 HydrophobicContact CB-CG2 3.98Å; R188-Y212 VanDerWaalsContact CD-CE2 3.48Å; R188-Y212 HydrophobicContact CG-CE2 4.44Å
189K94.1Very high92.9Very high69 Ų6934.6 Ų34.630%0.318%0.184SC..Hα-helixtrans-61.7-47.7-179.5-76.4166.8171.6163.30111.2P71 D185 V186 I187 S192 A193P71-K189 HydrophobicContact CG-CB 4.17Å; D185-K189 WeakPolarHBondContact O-CB 3.36Å; D185-K189 VanDerWaalsContact O-CG 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.37Å; D185-K189 PolarHBondContact O-N 3.47Å; D185-K189 WeakPolarHBondContact OD2-CE 3.44Å; D185-K189 IonicContact OD2-NZ 2.96Å; D185-K189 PolarHBondContact OD2-NZ 3.48Å; V186-K189 PolarHBondContact O-N 3.02Å; I187-K189 PolarHBondContact O-N 2.92Å; K189-S192 PolarHBondContact O-N 3.18Å; K189-A193 PolarHBondContact O-N 3.49Å
190W95.7Very high91.6Very high0 Ų036.8 Ų36.80%021%0.209CC..Hα-helixtrans-64-42.7177.5-80.173.1000112.4P71 P72 V106 G109 V110 K113 A155 L159 V186 I187 A193 A194P71-W190 HydrophobicContact CB-CB 4.4Å; P71-W190 HydrophobicContact CB-CD2 3.79Å; P71-W190 HydrophobicContact CB-CE3 4.33Å; P71-W190 HydrophobicContact CB-CG 3.78Å; P72-W190 VanDerWaalsContact CD-CH2 3.42Å; P72-W190 HydrophobicContact CG-CH2 4.07Å; V106-W190 HydrophobicContact CG1-CE3 4.04Å; V106-W190 HydrophobicContact CG1-CZ3 4.36Å; G109-W190 VanDerWaalsContact C-CH2 3.46Å; V110-W190 HydrophobicContact CG1-CE3 4.27Å; V110-W190 HydrophobicContact CG1-CH2 3.77Å; V110-W190 HydrophobicContact CG1-CZ3 3.62Å; K113-W190 HydrophobicContact CG-CH2 4.21Å; K113-W190 HydrophobicContact CG-CZ2 4.18Å; A155-W190 HydrophobicContact CB-CB 3.94Å; L159-W190 HydrophobicContact CD1-CB 4.21Å; L159-W190 HydrophobicContact CD1-CD2 4.47Å; L159-W190 HydrophobicContact CD1-CG 4.02Å; L159-W190 HydrophobicContact CD2-CD2 3.97Å; L159-W190 HydrophobicContact CD2-CE3 4.47Å; L159-W190 HydrophobicContact CD2-CG 4.3Å; L159-W190 HydrophobicContact CD2-CZ2 4.04Å; V186-W190 PolarHBondContact O-N 3.48Å; I187-W190 PolarHBondContact O-N 3.43Å; W190-A193 PolarHBondContact O-N 2.91Å; W190-A194 PolarHBondContact O-N 3.4Å
191A95.2Very high90.1Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-64-42.8176.500000112.1C151 V152 A155 I187 R188 A193 A194 E195 A207C151-A191 HydrophobicContact CB-CB 4.05Å; C151-A191 WeakPolarHBondContact CB-O 3.47Å; V152-A191 HydrophobicContact CB-CB 4.25Å; V152-A191 HydrophobicContact CG2-CB 3.52Å; A155-A191 HydrophobicContact CB-CB 4.22Å; I187-A191 VanDerWaalsContact O-CB 3.23Å; I187-A191 WeakPolarHBondContact O-CB 3.47Å; I187-A191 PolarHBondContact O-N 3.31Å; R188-A191 PolarHBondContact O-N 3.19Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 3.35Å; A191-A194 PolarHBondContact O-N 3.26Å; A191-E195 VanDerWaalsContact O-CB 3.28Å; A191-E195 WeakPolarHBondContact O-CB 3.3Å; A191-E195 PolarHBondContact O-N 3.23Å; A191-A207 HydrophobicContact CB-CB 4.1Å
192S91.8Very high88.8Confident22 Ų2243.9 Ų43.915%0.15423%0.226CC..Hα-helixtrans-63.7-39.9178-56.50000111.6R188 K189 E195 S196R188-S192 VanDerWaalsContact O-CB 3.32Å; R188-S192 WeakPolarHBondContact O-CB 3.29Å; R188-S192 PolarHBondContact O-N 3.19Å; R188-S192 PolarHBondContact O-OG 2.93Å; K189-S192 PolarHBondContact O-N 3.18Å; S192-E195 PolarHBondContact O-N 3.28Å; S192-S196 PolarHBondContact O-N 2.89Å
193A92.6Very high87.6Confident17 Ų1740.6 Ų40.614%0.1421%0.213CC..Hα-helixtrans-63.7-47174.700000111.2P71 L74 Y105 K189 W190 A191 E195 S196P71-A193 HydrophobicContact CB-CB 4.14Å; P71-A193 HydrophobicContact CG-CB 4.08Å; L74-A193 HydrophobicContact CD2-CB 4.25Å; Y105-A193 HydrophobicContact CE1-CB 3.84Å; Y105-A193 WeakPolarHBondContact OH-CB 3.38Å; K189-A193 PolarHBondContact O-N 3.49Å; W190-A193 PolarHBondContact O-N 2.91Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 3.35Å; A193-E195 PolarHBondContact O-N 2.97Å; A193-S196 PolarHBondContact O-N 3.07Å; A193-S196 PolarHBondContact O-OG 2.95Å
194A94Very high86.7Confident0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-62.3-40.817600000112.5A102 Y105 V106 C151 W190 A191 S196 L197A102-A194 HydrophobicContact CB-CB 4.31Å; Y105-A194 HydrophobicContact CD1-CB 3.98Å; Y105-A194 HydrophobicContact CE1-CB 4.33Å; V106-A194 HydrophobicContact CG2-CB 3.79Å; C151-A194 HydrophobicContact CB-CB 4.1Å; W190-A194 PolarHBondContact O-N 3.4Å; A191-A194 PolarHBondContact O-N 3.26Å; A194-S196 VanDerWaalsContact C-N 3.34Å; A194-S196 PolarHBondContact O-N 2.82Å; A194-L197 VanDerWaalsContact O-CB 3.31Å; A194-L197 WeakPolarHBondContact O-CB 3.41Å; A194-L197 PolarHBondContact O-N 3.39Å; A194-L197 VanDerWaalsContact O-N 3.14Å
195E91Very high86.2Confident4 Ų438 Ų382%0.01920%0.203CC..Hα-helixtrans-65.7-35.5178.3-178.1173.4-133.600112.3G148 C151 A191 S192 A193 L197 I198 H199 A202 D206 A207G148-E195 WeakPolarHBondContact CA-OE1 3.31Å; G148-E195 PolarHBondContact N-OE1 3.36Å; C151-E195 HydrophobicContact CB-CB 4.38Å; A191-E195 VanDerWaalsContact O-CB 3.28Å; A191-E195 WeakPolarHBondContact O-CB 3.3Å; A191-E195 PolarHBondContact O-N 3.23Å; S192-E195 PolarHBondContact O-N 3.28Å; A193-E195 PolarHBondContact O-N 2.97Å; E195-L197 PolarHBondContact O-N 3.05Å; E195-I198 WeakPolarHBondContact O-CB 3.38Å; E195-I198 PolarHBondContact O-N 3.38Å; E195-H199 PolarHBondContact O-N 3.45Å; E195-A202 HydrophobicContact CG-CB 4.08Å; E195-D206 WeakPolarHBondContact OE1-CB 3.42Å; E195-A207 VanDerWaalsContact OE2-CB 3.29Å; E195-A207 WeakPolarHBondContact OE2-CB 3.38Å; E195-A207 PolarHBondContact OE2-N 2.88Å
196S89.4Confident85.7Confident26 Ų2636.5 Ų36.518%0.18220%0.195CC..Hα-helixtrans-62-23.8174.577.60000112.9L74 S192 A193 A194 I198 G200L74-S196 WeakPolarHBondContact CD1-OG 3.29Å; S192-S196 PolarHBondContact O-N 2.89Å; A193-S196 PolarHBondContact O-N 3.07Å; A193-S196 PolarHBondContact O-OG 2.95Å; A194-S196 VanDerWaalsContact C-N 3.34Å; A194-S196 PolarHBondContact O-N 2.82Å; S196-I198 VanDerWaalsContact C-N 3.35Å; S196-G200 CarbonylContact O-C 3.02Å; S196-G200 WeakPolarHBondContact O-CA 3.34Å; S196-G200 PolarHBondContact O-N 3.44Å
197L88.7Confident85.4Confident35 Ų3536.2 Ų36.218%0.18319%0.193CC..Hα-helixtrans-70.7-32.8171.4-61.1175.2000112.3L74 V78 L98 Y105 A194 E195L74-L197 HydrophobicContact CD1-CD2 4.15Å; L74-L197 HydrophobicContact CD2-CD1 4.17Å; L74-L197 HydrophobicContact CD2-CD2 3.92Å; L74-L197 HydrophobicContact CD2-CG 4.01Å; L74-L197 HydrophobicContact CG-CD2 4.42Å; V78-L197 HydrophobicContact CG2-CD1 3.99Å; V78-L197 HydrophobicContact CG2-CD2 3.34Å; V78-L197 HydrophobicContact CG2-CG 4.31Å; L98-L197 WeakPolarHBondContact CD2-O 3.43Å; Y105-L197 HydrophobicContact CD1-CD1 4.08Å; Y105-L197 HydrophobicContact CD2-CD1 4.17Å; Y105-L197 HydrophobicContact CG-CD1 3.65Å; A194-L197 VanDerWaalsContact O-CB 3.31Å; A194-L197 WeakPolarHBondContact O-CB 3.41Å; A194-L197 PolarHBondContact O-N 3.39Å; A194-L197 VanDerWaalsContact O-N 3.14Å; E195-L197 PolarHBondContact O-N 3.05Å
198I85.2Confident85Confident30 Ų3036.4 Ų36.415%0.15419%0.194CC..Hα-helixtrans-78.3-43.5-178.4-58.6176.9000110.9L98 A102 Y150 E195 S196L98-I198 HydrophobicContact CB-CG1 4.45Å; A102-I198 HydrophobicContact CB-CD1 4Å; A102-I198 HydrophobicContact CB-CG1 4.05Å; Y150-I198 HydrophobicContact CD1-CD1 4.28Å; E195-I198 WeakPolarHBondContact O-CB 3.38Å; E195-I198 PolarHBondContact O-N 3.38Å; S196-I198 VanDerWaalsContact C-N 3.35Å
199H72.7Confident84.8Confident95 Ų9533.6 Ų33.644%0.4418%0.184SC..Hα-helixtrans-110.3-3.1-173.4-68.4-57.5000114.7S147 E195 R201S147-H199 WeakPolarHBondContact CB-NE2 3.41Å; S147-H199 PolarHBondContact OG-CD2 3.1Å; S147-H199 PolarHBondContact OG-NE2 3.35Å; E195-H199 PolarHBondContact O-N 3.45Å; H199-R201 VanDerWaalsContact C-N 3.32Å; H199-R201 PolarHBondContact O-N 3.33Å
200G70Confident84.7Confident54 Ų5430.7 Ų30.756%0.55717%0.172SC*.SBendtrans75.6-76.2-177.600000112.2S196S196-G200 CarbonylContact O-C 3.02Å; S196-G200 WeakPolarHBondContact O-CA 3.34Å; S196-G200 PolarHBondContact O-N 3.44Å
201R65.6Low84.6Confident244 Ų24430.8 Ų30.892%0.92117%0.172SC*.SBendtrans-107.180.4175.9-68.1-173.5-165.1-177.22.4109.9H199H199-R201 VanDerWaalsContact C-N 3.32Å; H199-R201 PolarHBondContact O-N 3.33Å
202A65.4Low84.5Confident36 Ų3634.5 Ų34.530%0.29819%0.187SC..  trans-80135.4168.100000109.4E195 G204E195-A202 HydrophobicContact CG-CB 4.08Å; A202-G204 PolarHBondContact O-N 3.32Å
203S70.3Confident84.5Confident45 Ų4533.5 Ų33.532%0.31518%0.18SC..  trans-66-18.1170.358.40000112.3L205S203-L205 VanDerWaalsContact C-N 3.25Å; S203-L205 VanDerWaalsContact OG-CB 3.29Å; S203-L205 WeakPolarHBondContact OG-CB 3.43Å; S203-L205 PolarHBondContact OG-N 3.11Å
204G78.5Confident84.3Confident8 Ų833.7 Ų33.78%0.08218%0.183CC..SBendtrans804.1-170.100000113.2A202 T208A202-G204 PolarHBondContact O-N 3.32Å; G204-T208 WeakPolarHBondContact O-CB 3.25Å; G204-T208 PolarHBondContact O-N 2.85Å; G204-T208 PolarHBondContact O-OG1 2.9Å
205L84.4Confident84Confident4 Ų433.8 Ų33.82%0.02118%0.184CC..Hα-helixtrans-63.3-50.7-179.4-176.857.5000111.6A15 A17 S203 T208 I209 I224A15-L205 HydrophobicContact CB-CD2 3.98Å; A17-L205 HydrophobicContact CB-CD1 4.08Å; A17-L205 HydrophobicContact CB-CD2 3.64Å; A17-L205 HydrophobicContact CB-CG 3.72Å; S203-L205 VanDerWaalsContact C-N 3.25Å; S203-L205 VanDerWaalsContact OG-CB 3.29Å; S203-L205 WeakPolarHBondContact OG-CB 3.43Å; S203-L205 PolarHBondContact OG-N 3.11Å; L205-T208 WeakPolarHBondContact O-CB 3.48Å; L205-T208 PolarHBondContact O-N 3.28Å; L205-T208 VanDerWaalsContact O-N 3.09Å; L205-I209 HydrophobicContact CD1-CG1 4.1Å; L205-I209 HydrophobicContact CG-CG1 4.47Å; L205-I209 WeakPolarHBondContact O-CG1 3.26Å; L205-I209 PolarHBondContact O-N 3.38Å; L205-I224 HydrophobicContact CD1-CD1 4.3Å; L205-I224 HydrophobicContact CD1-CG2 4.13Å
206D85.7Confident83.8Confident12 Ų1233.6 Ų33.66%0.06418%0.183CC..Hα-helixtrans-61.8-48.9-179.1-86.9-12.8000112.8S2 E4 G145 E195 T208 I209 C210S2-D206 PolarHBondContact OG-OD1 2.92Å; E4-D206 WeakPolarHBondContact CG-OD1 3.43Å; G145-D206 WeakPolarHBondContact CA-OD2 3.48Å; E195-D206 WeakPolarHBondContact OE1-CB 3.42Å; D206-T208 PolarHBondContact O-N 3.11Å; D206-I209 PolarHBondContact O-N 2.81Å; D206-C210 VanDerWaalsContact O-CB 3.27Å; D206-C210 WeakPolarHBondContact O-CB 3.19Å; D206-C210 PolarHBondContact O-N 2.97Å; D206-C210 PolarHBondContact O-SG 3.08Å
207A89.4Confident83.7Confident0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-57.5-37.9171.800000112.4V152 A191 E195 T211V152-A207 HydrophobicContact CG2-CB 4.42Å; V152-A207 WeakPolarHBondContact CG2-O 3.38Å; A191-A207 HydrophobicContact CB-CB 4.1Å; E195-A207 VanDerWaalsContact OE2-CB 3.29Å; E195-A207 WeakPolarHBondContact OE2-CB 3.38Å; E195-A207 PolarHBondContact OE2-N 2.88Å; A207-T211 VanDerWaalsContact O-CB 3.32Å; A207-T211 WeakPolarHBondContact O-CB 3.11Å; A207-T211 PolarHBondContact O-N 3.42Å; A207-T211 PolarHBondContact O-OG1 3.12Å
208T91Very high83.5Confident4 Ų432.5 Ų32.53%0.02517%0.174CC..Hα-helixtrans-68.9-48.4179.9-62.30000112R188 G204 L205 D206 C210 T211 Y212 I224R188-T208 WeakPolarHBondContact CD-OG1 3.48Å; G204-T208 WeakPolarHBondContact O-CB 3.25Å; G204-T208 PolarHBondContact O-N 2.85Å; G204-T208 PolarHBondContact O-OG1 2.9Å; L205-T208 WeakPolarHBondContact O-CB 3.48Å; L205-T208 PolarHBondContact O-N 3.28Å; L205-T208 VanDerWaalsContact O-N 3.09Å; D206-T208 PolarHBondContact O-N 3.11Å; T208-C210 VanDerWaalsContact C-N 3.34Å; T208-C210 PolarHBondContact O-N 3.43Å; T208-T211 PolarHBondContact O-N 3.05Å; T208-T211 VanDerWaalsContact O-N 3.14Å; T208-Y212 HydrophobicContact CG2-CD2 3.62Å; T208-Y212 HydrophobicContact CG2-CE2 3.82Å; T208-Y212 WeakPolarHBondContact O-CD2 3.42Å; T208-Y212 PolarHBondContact O-N 3.38Å; T208-I224 HydrophobicContact CG2-CB 4.18Å; T208-I224 HydrophobicContact CG2-CD1 3.71Å; T208-I224 HydrophobicContact CG2-CG2 3.83Å; T208-I224 VanDerWaalsContact OG1-CD1 3.29Å; T208-I224 WeakPolarHBondContact OG1-CD1 3.36Å
209I89.7Confident83.3Confident0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-62.2-42.3175.3-65.8-62.3000110.9A17 C19 L205 D206 T211 G213 A216A17-I209 HydrophobicContact CB-CD1 4.35Å; A17-I209 HydrophobicContact CB-CG1 3.81Å; A17-I209 VanDerWaalsContact O-CD1 3.3Å; A17-I209 WeakPolarHBondContact O-CD1 3.24Å; C19-I209 HydrophobicContact CB-CG2 3.78Å; L205-I209 HydrophobicContact CD1-CG1 4.1Å; L205-I209 HydrophobicContact CG-CG1 4.47Å; L205-I209 WeakPolarHBondContact O-CG1 3.26Å; L205-I209 PolarHBondContact O-N 3.38Å; D206-I209 PolarHBondContact O-N 2.81Å; I209-T211 PolarHBondContact O-N 2.86Å; I209-G213 WeakPolarHBondContact O-CA 3.27Å; I209-G213 PolarHBondContact O-N 3.48Å; I209-A216 HydrophobicContact CD1-CB 3.37Å
210C92.1Very high83.4Confident9 Ų934.8 Ų34.86%0.06118%0.182CC..Hα-helixtrans-67-26.1177.3-690000112.5A149 V152 D206 T208 G405 V406A149-C210 PolarHBondContact N-SG 2.64Å; V152-C210 HydrophobicContact CB-CB 4.24Å; V152-C210 HydrophobicContact CG2-CB 3.81Å; D206-C210 VanDerWaalsContact O-CB 3.27Å; D206-C210 WeakPolarHBondContact O-CB 3.19Å; D206-C210 PolarHBondContact O-N 2.97Å; D206-C210 PolarHBondContact O-SG 3.08Å; T208-C210 VanDerWaalsContact C-N 3.34Å; T208-C210 PolarHBondContact O-N 3.43Å; C210-G405 CarbonylContact O-C 3.5Å; C210-G405 WeakPolarHBondContact O-CA 3.47Å; C210-V406 PolarHBondContact O-N 3.37Å
211T94.7Very high83.5Confident1 Ų135.7 Ų35.71%0.00619%0.191CC..Hα-helixtrans-80.5-50.2177.9-57.80000112.2V152 L184 I187 R188 A207 T208 I209 G405 V406V152-T211 VanDerWaalsContact CG2-OG1 3.32Å; V152-T211 WeakPolarHBondContact CG2-OG1 3.39Å; L184-T211 HydrophobicContact CB-CG2 4.03Å; L184-T211 HydrophobicContact CD2-CG2 3.97Å; L184-T211 VanDerWaalsContact O-CG2 3.29Å; L184-T211 WeakPolarHBondContact O-CG2 3.42Å; I187-T211 HydrophobicContact CB-CG2 4.36Å; I187-T211 HydrophobicContact CG2-CG2 4.25Å; R188-T211 HydrophobicContact CB-CG2 3.98Å; A207-T211 VanDerWaalsContact O-CB 3.32Å; A207-T211 WeakPolarHBondContact O-CB 3.11Å; A207-T211 PolarHBondContact O-N 3.42Å; A207-T211 PolarHBondContact O-OG1 3.12Å; T208-T211 PolarHBondContact O-N 3.05Å; T208-T211 VanDerWaalsContact O-N 3.14Å; I209-T211 PolarHBondContact O-N 2.86Å; T211-G405 WeakPolarHBondContact O-CA 3.48Å; T211-V406 HydrophobicContact CG2-CG1 4.31Å; T211-V406 PolarHBondContact O-N 3.34Å
212Y93.1Very high84.3Confident79 Ų7926.2 Ų26.231%0.3116%0.162SC..Hα-helixtrans-93.8-24-173.9-61.3-63.8000113.9L184 D185 R188 T208 G405L184-Y212 HydrophobicContact CB-CD1 4.07Å; L184-Y212 HydrophobicContact CB-CE1 3.53Å; L184-Y212 HydrophobicContact CD1-CD1 3.93Å; L184-Y212 HydrophobicContact CD1-CE1 4.15Å; L184-Y212 HydrophobicContact CG-CE1 4.47Å; D185-Y212 WeakPolarHBondContact CA-OH 3.31Å; R188-Y212 VanDerWaalsContact CD-CE2 3.48Å; R188-Y212 HydrophobicContact CG-CE2 4.44Å; T208-Y212 HydrophobicContact CG2-CD2 3.62Å; T208-Y212 HydrophobicContact CG2-CE2 3.82Å; T208-Y212 WeakPolarHBondContact O-CD2 3.42Å; T208-Y212 PolarHBondContact O-N 3.38Å; Y212-G405 VanDerWaalsContact C-CA 3.49Å; Y212-G405 PolarHBondContact O-N 3.43Å
213G90.3Very high85Confident1 Ų129.9 Ų29.91%0.0117%0.173CC..BIsolated β-bridgetrans79.6-158.3-17100000111.6I209 Q226 G403 G405I209-G213 WeakPolarHBondContact O-CA 3.27Å; I209-G213 PolarHBondContact O-N 3.48Å; G213-Q226 PolarHBondContact O-OE1 3.08Å; G213-G403 VanDerWaalsContact CA-O 3.32Å; G213-G403 WeakPolarHBondContact CA-O 3.16Å; G213-G405 VanDerWaalsContact CA-CA 3.46Å; G213-G405 VanDerWaalsContact CA-N 3.32Å
214G88.6Confident85.7Confident20 Ų2029.7 Ų29.721%0.20617%0.168CC..SBendtrans67.2-151.7176.300000113.9C19 G403C19-G214 PolarHBondContact N-O 3.07Å; G214-G403 PolarHBondContact N-O 2.04Å
215V87.7Confident86Confident3 Ų331.6 Ų31.62%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-129.2135.6175.3179.30000107.2V16 A17 Q226 L227 L230 L282 L401V16-V215 HydrophobicContact CG1-CG1 3.83Å; A17-V215 CarbonylContact O-C 3.55Å; A17-V215 VanDerWaalsContact O-CA 3.32Å; A17-V215 WeakPolarHBondContact O-CA 3.21Å; A17-V215 WeakPolarHBondContact O-CG1 3.34Å; V215-Q226 PolarHBondContact O-OE1 3.14Å; V215-L227 HydrophobicContact CG1-CD1 3.95Å; V215-L227 HydrophobicContact CG1-CG 4.49Å; V215-L227 WeakPolarHBondContact O-CB 3.49Å; V215-L227 PolarHBondContact O-N 2.58Å; V215-L230 HydrophobicContact CB-CD1 3.76Å; V215-L230 HydrophobicContact CB-CD2 3.99Å; V215-L230 HydrophobicContact CG1-CD2 4.43Å; V215-L230 HydrophobicContact CG2-CD1 3.34Å; V215-L230 HydrophobicContact CG2-CD2 4.1Å; V215-L230 HydrophobicContact CG2-CG 4.37Å; V215-L282 HydrophobicContact CG1-CD1 4.36Å; V215-L401 HydrophobicContact CG2-CD1 4.26Å; V215-L401 HydrophobicContact CG2-CD2 4.21Å; V215-L401 HydrophobicContact CG2-CG 4.08Å
216A87.7Confident86.1Confident0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-131.8154.1178.300000112.2V16 A17 I209 I224 E225V16-A216 CarbonylContact C-O 3.33Å; V16-A216 WeakPolarHBondContact CA-O 3.37Å; A17-A216 PolarHBondContact N-O 3.2Å; A17-A216 PolarHBondContact O-N 3.11Å; I209-A216 HydrophobicContact CD1-CB 3.37Å; A216-I224 HydrophobicContact CB-CG2 3.49Å; A216-I224 VanDerWaalsContact CB-CG2 3.49Å; A216-E225 CarbonylContact C-O 3.53Å; A216-E225 WeakPolarHBondContact CA-O 3.47Å; A216-E225 VanDerWaalsContact CB-O 3.26Å; A216-E225 WeakPolarHBondContact CB-O 3.41Å
217S86.7Confident86Confident9 Ų934 Ų346%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-102.9151.5166.965.90000110.5A15 I224 E225A15-S217 CarbonylContact O-C 3.58Å; A15-S217 VanDerWaalsContact O-CA 3.26Å; A15-S217 WeakPolarHBondContact O-CA 3.35Å; S217-I224 CarbonylContact O-C 3.6Å; S217-I224 WeakPolarHBondContact O-CA 3.28Å; S217-E225 PolarHBondContact N-O 2.84Å; S217-E225 PolarHBondContact O-N 3.09Å
218Y84Confident85.6Confident29 Ų2938 Ų3811%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-142.9133175.3173.2-110.2000109.7T14 A15 C222 I224T14-Y218 CarbonylContact C-O 3.57Å; T14-Y218 WeakPolarHBondContact CA-O 3.46Å; A15-Y218 PolarHBondContact N-O 3.48Å; A15-Y218 PolarHBondContact O-N 3.43Å; Y218-C222 WeakPolarHBondContact CE2-O 3.03Å; Y218-I224 HydrophobicContact CD2-CD1 4.38Å; Y218-I224 HydrophobicContact CD2-CG1 3.47Å; Y218-I224 VanDerWaalsContact CD2-CG1 3.47Å; Y218-I224 HydrophobicContact CE2-CG1 4.27Å; Y218-I224 HydrophobicContact CG-CG1 4.06Å
219R82.8Confident84.8Confident55 Ų5544.5 Ų44.521%0.20824%0.239CC..EExtended strand (participates in β ladder)trans-117.5140.9166.2-172.9-168.2-76-80.514.1108.1T14 G221 C222 D272 E298T14-R219 PolarHBondContact OG1-NH1 2.94Å; R219-G221 PolarHBondContact O-N 3.31Å; R219-C222 HydrophobicContact CB-CB 4.09Å; R219-C222 WeakPolarHBondContact O-CB 3.26Å; R219-C222 PolarHBondContact O-N 3.14Å; R219-D272 IonicContact CZ-OD1 3.3Å; R219-D272 IonicContact NH1-OD1 2.99Å; R219-D272 PolarHBondContact NH1-OD1 3.33Å; R219-D272 VanDerWaalsContact NH1-OD1 3.12Å; R219-D272 IonicContact NH1-OD2 2.73Å; R219-E298 IonicContact CZ-OE1 3.19Å; R219-E298 IonicContact NE-OE1 2.9Å; R219-E298 PolarHBondContact NE-OE1 3.29Å; R219-E298 IonicContact NH2-OE1 2.86Å; R219-E298 PolarHBondContact NH2-OE1 2.55Å
220H73.9Confident84.2Confident117 Ų11747.1 Ų47.154%0.54225%0.253SS..THydrogen-bonded Turntrans-52.9130.4176.6-173.371.3000111.3C222H220-C222 VanDerWaalsContact C-N 3.25Å; H220-C222 PolarHBondContact O-N 2.98Å
221G73Confident83.3Confident73 Ų7347.6 Ų47.675%0.75326%0.256SS*.THydrogen-bonded Turntrans82.6-12.6-176.100000115.4R219R219-G221 PolarHBondContact O-N 3.31Å
222C80.9Confident82.3Confident45 Ų4553.2 Ų53.230%0.30429%0.286SS..SBendtrans-97.4167.2177-59.20000111.6Y218 R219 H220Y218-C222 WeakPolarHBondContact CE2-O 3.03Å; R219-C222 HydrophobicContact CB-CB 4.09Å; R219-C222 WeakPolarHBondContact O-CB 3.26Å; R219-C222 PolarHBondContact O-N 3.14Å; H220-C222 VanDerWaalsContact C-N 3.25Å; H220-C222 PolarHBondContact O-N 2.98Å
223Q80.8Confident81.6Confident113 Ų11349.9 Ų49.953%0.52827%0.273SS..PPolyproline II helixtrans-76.1155.3168.7-62.4-168.12300110.4
224I84.5Confident81.3Confident41 Ų4153.9 Ų53.921%0.2129%0.29CS..PPolyproline II helixtrans-75.4126.5173.9-63169000108.1L205 T208 A216 S217 Y218L205-I224 HydrophobicContact CD1-CD1 4.3Å; L205-I224 HydrophobicContact CD1-CG2 4.13Å; T208-I224 HydrophobicContact CG2-CB 4.18Å; T208-I224 HydrophobicContact CG2-CD1 3.71Å; T208-I224 HydrophobicContact CG2-CG2 3.83Å; T208-I224 VanDerWaalsContact OG1-CD1 3.29Å; T208-I224 WeakPolarHBondContact OG1-CD1 3.36Å; A216-I224 HydrophobicContact CB-CG2 3.49Å; A216-I224 VanDerWaalsContact CB-CG2 3.49Å; S217-I224 CarbonylContact O-C 3.6Å; S217-I224 WeakPolarHBondContact O-CA 3.28Å; Y218-I224 HydrophobicContact CD2-CD1 4.38Å; Y218-I224 HydrophobicContact CD2-CG1 3.47Å; Y218-I224 VanDerWaalsContact CD2-CG1 3.47Å; Y218-I224 HydrophobicContact CE2-CG1 4.27Å; Y218-I224 HydrophobicContact CG-CG1 4.06Å
225E84.5Confident81.3Confident48 Ų4853.1 Ų53.122%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-107.8122.4-177.4-57.4-169.1145.100110.6A216 S217 P285 N290A216-E225 CarbonylContact C-O 3.53Å; A216-E225 WeakPolarHBondContact CA-O 3.47Å; A216-E225 VanDerWaalsContact CB-O 3.26Å; A216-E225 WeakPolarHBondContact CB-O 3.41Å; S217-E225 PolarHBondContact N-O 2.84Å; S217-E225 PolarHBondContact O-N 3.09Å; E225-P285 WeakPolarHBondContact OE2-CB 3.27Å; E225-N290 PolarHBondContact OE1-ND2 2.82Å
226Q86.4Confident81.5Confident58 Ų5853.1 Ų53.127%0.27128%0.282SS..EExtended strand (participates in β ladder)trans-73.8133.9174.3-69.8-70.2-20.800109.9G213 V215G213-Q226 PolarHBondContact O-OE1 3.08Å; V215-Q226 PolarHBondContact O-OE1 3.14Å
227L84.6Confident81.7Confident9 Ų953.2 Ų53.25%0.04728%0.282CS..EExtended strand (participates in β ladder)trans-91.8130.8176.9-55.2-173.5000109.5V16 V215 L230 V279 L282V16-L227 HydrophobicContact CG1-CD1 4.43Å; V215-L227 HydrophobicContact CG1-CD1 3.95Å; V215-L227 HydrophobicContact CG1-CG 4.49Å; V215-L227 WeakPolarHBondContact O-CB 3.49Å; V215-L227 PolarHBondContact O-N 2.58Å; L227-L230 HydrophobicContact CB-CD2 4Å; L227-V279 HydrophobicContact CD1-CG1 4.39Å; L227-V279 HydrophobicContact CD2-CG1 3.83Å; L227-L282 HydrophobicContact CD1-CB 4.15Å; L227-L282 HydrophobicContact CD1-CD1 4.41Å
228E80.8Confident81.9Confident85 Ų8552.9 Ų52.940%0.39728%0.279SS..EExtended strand (participates in β ladder)trans-107.7164.1178-60.9-173.2173.600111.2L230 K289E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 3.22Å; E228-K289 IonicContact OE1-NZ 3.87Å
229N74Confident82.3Confident140 Ų14051.8 Ų51.875%0.74928%0.275SS*.SBendtrans58.240.7177.7-55.1-58.7000114
230L78Confident82.7Confident55 Ų5549.1 Ų49.129%0.28827%0.266SS..  trans-59.7135.3178.2-62169.3000110.7V215 L227 E228 L282V215-L230 HydrophobicContact CB-CD1 3.76Å; V215-L230 HydrophobicContact CB-CD2 3.99Å; V215-L230 HydrophobicContact CG1-CD2 4.43Å; V215-L230 HydrophobicContact CG2-CD1 3.34Å; V215-L230 HydrophobicContact CG2-CD2 4.1Å; V215-L230 HydrophobicContact CG2-CG 4.37Å; L227-L230 HydrophobicContact CB-CD2 4Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 3.22Å; L230-L282 HydrophobicContact CD2-CB 4.13Å
231P73.3Confident83.4Confident19 Ų1948.7 Ų48.712%0.12326%0.262CS..  trans-63.9153.7171.424.6-30.4000110.6L233 L282 T316P231-L233 HydrophobicContact CB-CG 4.36Å; P231-L233 HydrophobicContact CG-CD1 4.01Å; P231-L233 HydrophobicContact CG-CD2 4.26Å; P231-L233 HydrophobicContact CG-CG 3.92Å; P231-L233 WeakPolarHBondContact O-CG 3.46Å; P231-L233 PolarHBondContact O-N 3.46Å; P231-L282 WeakPolarHBondContact CD-O 3.23Å; P231-T316 HydrophobicContact CB-CG2 4.34Å
232D73.6Confident84Confident119 Ų11946.3 Ų46.364%0.63623%0.233SC*.  trans-66.1105.5170.9-176.622.5000109.4
233L77.7Confident84Confident8 Ų853.1 Ų53.14%0.04226%0.26CS..  trans-117.9109.7-174.3-73.8-178.3000109.5P231 V235 L282 N320 F323 F372 L401P231-L233 HydrophobicContact CB-CG 4.36Å; P231-L233 HydrophobicContact CG-CD1 4.01Å; P231-L233 HydrophobicContact CG-CD2 4.26Å; P231-L233 HydrophobicContact CG-CG 3.92Å; P231-L233 WeakPolarHBondContact O-CG 3.46Å; P231-L233 PolarHBondContact O-N 3.46Å; L233-V235 PolarHBondContact O-N 3.33Å; L233-L282 HydrophobicContact CD1-CD2 3.29Å; L233-N320 HydrophobicContact CD2-CB 4.26Å; L233-N320 WeakPolarHBondContact CD2-ND2 2.93Å; L233-F323 HydrophobicContact CD1-CD1 4.43Å; L233-F323 HydrophobicContact CD1-CE1 4.44Å; L233-F372 HydrophobicContact CB-CD1 3.72Å; L233-F372 HydrophobicContact CB-CE1 3.8Å; L233-F372 HydrophobicContact CD1-CD1 4.06Å; L233-F372 HydrophobicContact CD1-CE1 3.86Å; L233-F372 HydrophobicContact CD2-CD1 4.18Å; L233-F372 HydrophobicContact CG-CD1 4.2Å; L233-F372 HydrophobicContact CG-CE1 4.35Å; L233-L401 HydrophobicContact CB-CD2 4.03Å; L233-L401 HydrophobicContact CD1-CD2 3.92Å
234K84.5Confident83.6Confident86 Ų8650.5 Ų50.537%0.37425%0.245SC..EExtended strand (participates in β ladder)trans-75.9114.2172.1-70.2179.1179.1175.80109.5F372 L373 P375K234-F372 WeakPolarHBondContact O-CA 3.17Å; K234-L373 HydrophobicContact CB-CB 3.94Å; K234-L373 HydrophobicContact CB-CD1 4.44Å; K234-L373 HydrophobicContact CB-CG 4.47Å; K234-L373 PolarHBondContact O-N 2.87Å; K234-P375 PolarHBondContact NZ-O 2.95Å
235V88Confident83.1Confident4 Ų452.3 Ų52.32%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-92.3135.4179.3179.70000110.1L233 F370 A371 F372 Q398 P399 L401L233-V235 PolarHBondContact O-N 3.33Å; V235-F370 HydrophobicContact CG1-CB 4.28Å; V235-A371 CarbonylContact C-O 3.49Å; V235-A371 WeakPolarHBondContact CA-O 3.41Å; V235-F372 HydrophobicContact CG2-CD1 4.04Å; V235-F372 HydrophobicContact CG2-CE1 3.45Å; V235-F372 VanDerWaalsContact CG2-CE1 3.45Å; V235-F372 HydrophobicContact CG2-CZ 4.08Å; V235-Q398 VanDerWaalsContact O-CA 3.31Å; V235-Q398 WeakPolarHBondContact O-CA 3.25Å; V235-P399 HydrophobicContact CB-CG 4.36Å; V235-P399 HydrophobicContact CG1-CG 4.12Å; V235-L401 HydrophobicContact CG2-CB 3.76Å; V235-L401 HydrophobicContact CG2-CD1 4.25Å; V235-L401 HydrophobicContact CG2-CG 4.44Å
236L91.2Very high82.5Confident3 Ų352.1 Ų52.12%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-104.7129.9162.5-163.369.8000108.1V238 L351 F370 A371 L373 I385 L396 Q398L236-V238 HydrophobicContact CD2-CG2 4.36Å; L236-V238 HydrophobicContact CG-CG2 4.37Å; L236-L351 HydrophobicContact CD2-CD1 4.14Å; L236-L351 HydrophobicContact CD2-CD2 3.77Å; L236-F370 CarbonylContact O-C 3.14Å; L236-F370 WeakPolarHBondContact O-CA 3.29Å; L236-A371 HydrophobicContact CB-CB 4.31Å; L236-A371 PolarHBondContact N-O 3.43Å; L236-A371 PolarHBondContact O-N 2.91Å; L236-L373 HydrophobicContact CB-CD2 4.23Å; L236-L373 HydrophobicContact CB-CG 4.39Å; L236-L373 HydrophobicContact CD2-CD2 4.4Å; L236-I385 HydrophobicContact CD2-CG2 4.22Å; L236-L396 HydrophobicContact CD1-CD1 3.81Å; L236-L396 HydrophobicContact CD1-CD2 3.61Å; L236-L396 HydrophobicContact CD1-CG 3.81Å; L236-L396 HydrophobicContact CD2-CD1 4.1Å; L236-L396 HydrophobicContact CG-CD1 4.09Å; L236-L396 HydrophobicContact CG-CG 4.25Å; L236-Q398 HydrophobicContact CD1-CG 3.68Å
237L91.9Very high81.8Confident1 Ų153.5 Ų53.51%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-120.6123.7176.6176.171.1000108.7I20 L22 L138 L144 L369 F370 L396 W397 P399I20-L237 HydrophobicContact CD1-CD2 4.01Å; L22-L237 HydrophobicContact CD1-CD2 3.87Å; L138-L237 HydrophobicContact CD1-CD2 4.04Å; L144-L237 HydrophobicContact CD1-CD1 4.03Å; L144-L237 HydrophobicContact CD1-CD2 3.59Å; L144-L237 HydrophobicContact CD1-CG 4.36Å; L144-L237 HydrophobicContact CD2-CD1 3.69Å; L144-L237 HydrophobicContact CD2-CD2 4.49Å; L144-L237 HydrophobicContact CG-CD1 4.5Å; L237-L369 WeakPolarHBondContact CA-O 3.24Å; L237-F370 HydrophobicContact CD1-CB 4.48Å; L237-L396 CarbonylContact O-C 3.58Å; L237-L396 VanDerWaalsContact O-CA 3.31Å; L237-L396 WeakPolarHBondContact O-CA 3.25Å; L237-W397 HydrophobicContact CB-CB 4.43Å; L237-W397 HydrophobicContact CD2-CE3 4.03Å; L237-W397 HydrophobicContact CG-CE3 4.18Å; L237-W397 PolarHBondContact N-O 3.1Å; L237-W397 PolarHBondContact O-N 3.06Å; L237-P399 HydrophobicContact CB-CG 4.2Å
238V92.5Very high81.7Confident2 Ų261.4 Ų61.41%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-121122.2180-174.60000109.4L236 I347 L351 S368 L369 V389 D395 L396L236-V238 HydrophobicContact CD2-CG2 4.36Å; L236-V238 HydrophobicContact CG-CG2 4.37Å; V238-I347 HydrophobicContact CB-CG2 4.22Å; V238-I347 HydrophobicContact CG1-CD1 3.94Å; V238-I347 HydrophobicContact CG1-CG1 4.32Å; V238-I347 HydrophobicContact CG1-CG2 3.91Å; V238-I347 HydrophobicContact CG2-CG2 4.46Å; V238-L351 HydrophobicContact CG2-CD1 4.3Å; V238-S368 CarbonylContact O-C 3.48Å; V238-S368 VanDerWaalsContact O-CA 3.25Å; V238-S368 WeakPolarHBondContact O-CA 3.4Å; V238-L369 PolarHBondContact N-O 3.29Å; V238-L369 PolarHBondContact O-N 3.44Å; V238-V389 HydrophobicContact CG1-CG1 3.68Å; V238-D395 CarbonylContact C-O 3.42Å; V238-D395 VanDerWaalsContact CA-O 3.31Å; V238-D395 WeakPolarHBondContact CA-O 3.29Å; V238-L396 HydrophobicContact CG2-CD1 4.03Å; V238-L396 HydrophobicContact CG2-CG 4.25Å
239N91.6Very high81.9Confident6 Ų658.5 Ų58.53%0.03229%0.29CS..EExtended strand (participates in β ladder)trans-94.3118.4171.7176.513000109.6V142 K241 G367 Y394 D395 W397V142-N239 WeakPolarHBondContact CG1-ND2 3.43Å; N239-K241 PolarHBondContact O-N 2.71Å; N239-K241 PolarHBondContact OD1-N 2.97Å; N239-G367 PolarHBondContact OD1-O 3.43Å; N239-Y394 WeakPolarHBondContact O-CB 3.49Å; N239-D395 HydrophobicContact CB-CB 4.34Å; N239-D395 PolarHBondContact N-O 3.04Å; N239-D395 PolarHBondContact O-N 2.8Å; N239-W397 HydrophobicContact CB-CH2 3.91Å; N239-W397 HydrophobicContact CB-CZ3 3.52Å
240S91.3Very high82.2Confident0 Ų054.4 Ų54.40%027%0.27CS..  trans-69.5-9.9179.268.10000114.2V242 G367 Y394S240-V242 PolarHBondContact O-N 2.77Å; S240-V242 PolarHBondContact OG-N 3.49Å; S240-G367 VanDerWaalsContact CB-O 3.31Å; S240-G367 WeakPolarHBondContact CB-O 3.19Å; S240-G367 PolarHBondContact N-O 2.95Å; S240-G367 PolarHBondContact OG-N 2.9Å; S240-G367 PolarHBondContact OG-O 3.48Å; S240-Y394 VanDerWaalsContact O-CD1 3.27Å; S240-Y394 WeakPolarHBondContact O-CD1 3.44Å; S240-Y394 VanDerWaalsContact O-CE1 3.23Å; S240-Y394 WeakPolarHBondContact O-CE1 3.4Å
241K88Confident82.4Confident108 Ų10854.5 Ų54.547%0.4728%0.275SS..  trans58.216.3-174.3-50.1-72.1-87.5-158.90113.2N239 D395N239-K241 PolarHBondContact O-N 2.71Å; N239-K241 PolarHBondContact OD1-N 2.97Å; K241-D395 VanDerWaalsContact CD-OD2 3.3Å; K241-D395 WeakPolarHBondContact CD-OD2 3.48Å; K241-D395 WeakPolarHBondContact CE-OD2 3.36Å; K241-D395 IonicContact NZ-OD1 3.69Å; K241-D395 IonicContact NZ-OD2 2.87Å; K241-D395 PolarHBondContact NZ-OD2 3.45Å
242V87.1Confident83.1Confident23 Ų2356.3 Ų56.314%0.13928%0.283CS..PPolyproline II helixtrans-90.8123172.5-179.40000108S240 K343 G367S240-V242 PolarHBondContact O-N 2.77Å; S240-V242 PolarHBondContact OG-N 3.49Å; V242-K343 HydrophobicContact CG2-CB 3.89Å; V242-K343 HydrophobicContact CG2-CD 3.54Å; V242-K343 HydrophobicContact CG2-CG 3.99Å; V242-G367 PolarHBondContact O-N 2.77Å
243E80.2Confident83.8Confident187 Ų18751.2 Ų51.287%0.87426%0.257SS*.PPolyproline II helixtrans-60.7135.6173.6-68.6-174.1172.800111.1
244R71.7Confident84.3Confident58 Ų5855.9 Ų55.922%0.21928%0.276CS..PPolyproline II helixtrans-97.4136.1-177.6-176.8171.672.4130.7-1.3110.6E7 T246 G364E7-R244 IonicContact OE2-NH1 3.47Å; R244-T246 PolarHBondContact NE-OG1 2.9Å; R244-T246 PolarHBondContact NH1-OG1 3.24Å; R244-T246 PolarHBondContact NH2-OG1 3.33Å; R244-G364 WeakPolarHBondContact CD-O 3.48Å; R244-G364 WeakPolarHBondContact CG-O 3.3Å
245N73.3Confident84.5Confident80 Ų8055.7 Ų55.743%0.42828%0.28SS..  trans-112.885.7165.5-170.1-34.8000110S247 R248 M249N245-S247 VanDerWaalsContact C-N 3.33Å; N245-S247 PolarHBondContact O-N 2.77Å; N245-S247 PolarHBondContact OD1-OG 3.01Å; N245-R248 HydrophobicContact CB-CB 3.98Å; N245-R248 VanDerWaalsContact CG-CB 3.48Å; N245-R248 PolarHBondContact O-N 2.72Å; N245-R248 VanDerWaalsContact OD1-CB 3.27Å; N245-R248 WeakPolarHBondContact OD1-CB 3.25Å; N245-R248 PolarHBondContact OD1-N 3.15Å; N245-M249 WeakPolarHBondContact O-CG 3.19Å; N245-M249 PolarHBondContact O-N 3.44Å; N245-M249 VanDerWaalsContact O-N 3.08Å
246T72.1Confident84.7Confident43 Ų4359.4 Ų59.426%0.26429%0.293SS..Hα-helixtrans-55.8-44.8-177.4-55.40000112.4R244 R248 M249 V250 A363R244-T246 PolarHBondContact NE-OG1 2.9Å; R244-T246 PolarHBondContact NH1-OG1 3.24Å; R244-T246 PolarHBondContact NH2-OG1 3.33Å; T246-R248 VanDerWaalsContact C-N 3.35Å; T246-R248 PolarHBondContact O-N 2.94Å; T246-M249 PolarHBondContact O-N 3.41Å; T246-V250 HydrophobicContact CG2-CG2 4.36Å; T246-V250 WeakPolarHBondContact O-CG2 3.2Å; T246-V250 PolarHBondContact O-N 3.36Å; T246-A363 HydrophobicContact CG2-CB 3.73Å
247S73.1Confident84.7Confident87 Ų8761.7 Ų61.761%0.60831%0.305SS*.Hα-helixtrans-65-39.7-177.956.20000111.7N245 V250 S251N245-S247 VanDerWaalsContact C-N 3.33Å; N245-S247 PolarHBondContact O-N 2.77Å; N245-S247 PolarHBondContact OD1-OG 3.01Å; S247-V250 PolarHBondContact O-N 3.21Å; S247-S251 WeakPolarHBondContact O-CB 3.31Å; S247-S251 PolarHBondContact O-N 3.18Å
248R81.1Confident84.8Confident175 Ų17569.6 Ų69.666%0.6634%0.339SS*.Hα-helixtrans-62.5-44.5173.4-175.5-178.9178.5-173.90.1111.9N245 T246 S251 L252N245-R248 HydrophobicContact CB-CB 3.98Å; N245-R248 VanDerWaalsContact CG-CB 3.48Å; N245-R248 PolarHBondContact O-N 2.72Å; N245-R248 VanDerWaalsContact OD1-CB 3.27Å; N245-R248 WeakPolarHBondContact OD1-CB 3.25Å; N245-R248 PolarHBondContact OD1-N 3.15Å; T246-R248 VanDerWaalsContact C-N 3.35Å; T246-R248 PolarHBondContact O-N 2.94Å; R248-S251 PolarHBondContact O-N 3.06Å; R248-L252 WeakPolarHBondContact O-CB 3.25Å; R248-L252 PolarHBondContact O-N 3.05Å
249M85.1Confident85Confident24 Ų2476.7 Ų76.712%0.11837%0.37CS..Hα-helixtrans-63.3-43.8178-66-56.612000111.7N245 T246 S251 L252 V253 V339 A363N245-M249 WeakPolarHBondContact O-CG 3.19Å; N245-M249 PolarHBondContact O-N 3.44Å; N245-M249 VanDerWaalsContact O-N 3.08Å; T246-M249 PolarHBondContact O-N 3.41Å; M249-S251 PolarHBondContact O-N 3.24Å; M249-L252 WeakPolarHBondContact O-CB 3.4Å; M249-L252 PolarHBondContact O-N 3.2Å; M249-V253 WeakPolarHBondContact O-CG2 3.45Å; M249-V253 PolarHBondContact O-N 3.39Å; M249-V253 VanDerWaalsContact O-N 3.07Å; M249-V339 HydrophobicContact CB-CG1 4.14Å; M249-V339 HydrophobicContact SD-CB 4.24Å; M249-V339 HydrophobicContact SD-CG1 4.12Å; M249-A363 HydrophobicContact CB-CB 4.15Å; M249-A363 VanDerWaalsContact CB-O 3.26Å; M249-A363 WeakPolarHBondContact CB-O 3.37Å; M249-A363 WeakPolarHBondContact CG-O 3.47Å
250V80.7Confident85.2Confident55 Ų5581.6 Ų81.633%0.33339%0.391SS..Hα-helixtrans-63.3-41.6176.3172.30000111.3T246 S247 V253 K254T246-V250 HydrophobicContact CG2-CG2 4.36Å; T246-V250 WeakPolarHBondContact O-CG2 3.2Å; T246-V250 PolarHBondContact O-N 3.36Å; S247-V250 PolarHBondContact O-N 3.21Å; V250-V253 PolarHBondContact O-N 3Å; V250-K254 HydrophobicContact CG1-CD 4.19Å; V250-K254 WeakPolarHBondContact O-CG 3.21Å; V250-K254 PolarHBondContact O-N 3.4Å
251S82.9Confident85.3Confident56 Ų5684.5 Ų84.539%0.39241%0.41SS..Hα-helixtrans-62.1-45.8175.4-165.40000111.5S247 R248 M249 V253 K254 D255S247-S251 WeakPolarHBondContact O-CB 3.31Å; S247-S251 PolarHBondContact O-N 3.18Å; R248-S251 PolarHBondContact O-N 3.06Å; M249-S251 PolarHBondContact O-N 3.24Å; S251-V253 VanDerWaalsContact C-N 3.31Å; S251-V253 PolarHBondContact O-N 3.05Å; S251-K254 WeakPolarHBondContact O-CB 3.45Å; S251-K254 PolarHBondContact O-N 3.37Å; S251-K254 VanDerWaalsContact O-N 3.14Å; S251-D255 VanDerWaalsContact O-CG 3.26Å; S251-D255 PolarHBondContact O-N 3.28Å
252L87.1Confident85.8Confident57 Ų5787.4 Ų87.430%0.29843%0.426SS..Hα-helixtrans-56.3-46.1178.8178.566.9000111.7R248 M249 D255 R256 G338R248-L252 WeakPolarHBondContact O-CB 3.25Å; R248-L252 PolarHBondContact O-N 3.05Å; M249-L252 WeakPolarHBondContact O-CB 3.4Å; M249-L252 PolarHBondContact O-N 3.2Å; L252-D255 PolarHBondContact O-N 3.43Å; L252-R256 VanDerWaalsContact O-CG 3.31Å; L252-R256 WeakPolarHBondContact O-CG 3.36Å; L252-R256 PolarHBondContact O-N 3.17Å; L252-R256 VanDerWaalsContact O-N 3.08Å; L252-G338 VanDerWaalsContact CD2-O 3.25Å; L252-G338 WeakPolarHBondContact CD2-O 3.49Å
253V88.6Confident86.1Confident13 Ų1390.7 Ų90.78%0.07945%0.445CS..Hα-helixtrans-67-40.2178.6175.70000111.1M249 V250 S251 D255 R256 L257 F268 V339M249-V253 WeakPolarHBondContact O-CG2 3.45Å; M249-V253 PolarHBondContact O-N 3.39Å; M249-V253 VanDerWaalsContact O-N 3.07Å; V250-V253 PolarHBondContact O-N 3Å; S251-V253 VanDerWaalsContact C-N 3.31Å; S251-V253 PolarHBondContact O-N 3.05Å; V253-D255 PolarHBondContact O-N 2.96Å; V253-R256 PolarHBondContact O-N 3.16Å; V253-L257 WeakPolarHBondContact O-CB 3.26Å; V253-L257 PolarHBondContact O-N 2.85Å; V253-F268 HydrophobicContact CG1-CE1 4.12Å; V253-F268 HydrophobicContact CG1-CZ 3.59Å; V253-V339 HydrophobicContact CG2-CG1 3.63Å
254K87.7Confident86.7Confident105 Ų10582.1 Ų82.146%0.45741%0.406SS..Hα-helixtrans-62-41.7175.3-76.5176.9178.7178.50112.6V250 S251 R256 L257 K258V250-K254 HydrophobicContact CG1-CD 4.19Å; V250-K254 WeakPolarHBondContact O-CG 3.21Å; V250-K254 PolarHBondContact O-N 3.4Å; S251-K254 WeakPolarHBondContact O-CB 3.45Å; S251-K254 PolarHBondContact O-N 3.37Å; S251-K254 VanDerWaalsContact O-N 3.14Å; K254-R256 VanDerWaalsContact C-N 3.33Å; K254-L257 PolarHBondContact O-N 3.46Å; K254-K258 WeakPolarHBondContact O-CG 3.26Å; K254-K258 PolarHBondContact O-N 3.15Å
255D90.4Very high87.7Confident83 Ų8384.5 Ų84.544%0.44442%0.419SS..Hα-helixtrans-69.2-35.4180-65.1-28.4000111.3S251 L252 V253 K259S251-D255 VanDerWaalsContact O-CG 3.26Å; S251-D255 PolarHBondContact O-N 3.28Å; L252-D255 PolarHBondContact O-N 3.43Å; V253-D255 PolarHBondContact O-N 2.96Å; D255-K259 WeakPolarHBondContact O-CB 3.12Å; D255-K259 PolarHBondContact O-N 3.21Å; D255-K259 VanDerWaalsContact O-N 3.11Å
256R91.3Very high88.7Confident81 Ų8182.6 Ų82.631%0.30642%0.419SS..Hα-helixtrans-67-43.1172.1-70.9173.1-176.4-145.22.9112.4L252 V253 K254 K258 K259 F260 I264 G336 L337 G338L252-R256 VanDerWaalsContact O-CG 3.31Å; L252-R256 WeakPolarHBondContact O-CG 3.36Å; L252-R256 PolarHBondContact O-N 3.17Å; L252-R256 VanDerWaalsContact O-N 3.08Å; V253-R256 PolarHBondContact O-N 3.16Å; K254-R256 VanDerWaalsContact C-N 3.33Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 3.48Å; R256-K259 PolarHBondContact O-N 3.2Å; R256-K259 VanDerWaalsContact O-N 3.12Å; R256-F260 PolarHBondContact O-N 2.8Å; R256-I264 HydrophobicContact CB-CD1 4.04Å; R256-I264 HydrophobicContact CB-CG1 4.14Å; R256-G336 PolarHBondContact NH1-O 2.97Å; R256-L337 WeakPolarHBondContact CD-O 3.14Å; R256-L337 VanDerWaalsContact CZ-O 3.29Å; R256-L337 PolarHBondContact NE-O 3.04Å; R256-L337 PolarHBondContact NH1-O 3.39Å; R256-G338 VanDerWaalsContact NH1-N 3.16Å
257L91Very high89.6Confident52 Ų5282 Ų8227%0.27241%0.413SS..Hα-helixtrans-58.5-43.9176178.164.4000111.1V253 K254 K259 F260 P261 I264 E265 F268V253-L257 WeakPolarHBondContact O-CB 3.26Å; V253-L257 PolarHBondContact O-N 2.85Å; K254-L257 PolarHBondContact O-N 3.46Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 2.81Å; L257-F260 CarbonylContact O-C 3.58Å; L257-P261 WeakPolarHBondContact O-CA 3.32Å; L257-P261 VanDerWaalsContact O-N 3.17Å; L257-I264 HydrophobicContact CB-CB 4.4Å; L257-I264 HydrophobicContact CB-CG2 3.99Å; L257-I264 HydrophobicContact CD1-CB 3.93Å; L257-I264 HydrophobicContact CD1-CG2 3.84Å; L257-E265 HydrophobicContact CD1-CG 3.81Å; L257-F268 HydrophobicContact CD1-CE2 4.44Å; L257-F268 HydrophobicContact CD2-CE2 4.34Å
258K93.6Very high90.5Very high166 Ų16679.3 Ų79.372%0.72239%0.39SS*.Hα-helixtrans-62.4-37.5175.3-71.2172.9-176.1171.50112.8K254 R256K254-K258 WeakPolarHBondContact O-CG 3.26Å; K254-K258 PolarHBondContact O-N 3.15Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 3.48Å
259K96.7Very high91Very high152 Ų15274.7 Ų74.766%0.66139%0.385SS*.Hα-helixtrans-80.4-36-176-169.6174.7178.9-178.90113D255 R256 L257D255-K259 WeakPolarHBondContact O-CB 3.12Å; D255-K259 PolarHBondContact O-N 3.21Å; D255-K259 VanDerWaalsContact O-N 3.11Å; R256-K259 PolarHBondContact O-N 3.2Å; R256-K259 VanDerWaalsContact O-N 3.12Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 2.81Å
260F95.9Very high91.3Very high109 Ų10975.4 Ų75.448%0.47840%0.395SS..SBendtrans-137.866.1-174.1-54.1-65.9000110.6R256 L257 E262 V263 I264R256-F260 PolarHBondContact O-N 2.8Å; L257-F260 CarbonylContact O-C 3.58Å; F260-E262 PolarHBondContact O-N 2.81Å; F260-V263 HydrophobicContact CB-CB 4.17Å; F260-V263 HydrophobicContact CB-CG2 4.35Å; F260-V263 PolarHBondContact O-N 3.27Å; F260-I264 HydrophobicContact CB-CG1 4.49Å; F260-I264 WeakPolarHBondContact O-CG1 3.32Å; F260-I264 PolarHBondContact O-N 2.91Å
261P94.7Very high91.9Very high61 Ų6172.8 Ų72.840%0.39638%0.379SS..Hα-helixtrans-57.5-54.1-171.420.8-32.3000112.6L257 V263 I264 E265L257-P261 WeakPolarHBondContact O-CA 3.32Å; L257-P261 VanDerWaalsContact O-N 3.17Å; P261-V263 VanDerWaalsContact C-N 3.28Å; P261-V263 PolarHBondContact O-N 2.74Å; P261-I264 PolarHBondContact O-N 3.49Å; P261-E265 VanDerWaalsContact O-CB 3.25Å; P261-E265 WeakPolarHBondContact O-CB 3.44Å; P261-E265 VanDerWaalsContact O-CG 3.25Å; P261-E265 WeakPolarHBondContact O-CG 3.46Å; P261-E265 PolarHBondContact O-N 3.12Å
262E96.7Very high92.2Very high169 Ų16970.9 Ų70.979%0.7937%0.365SS*.Hα-helixtrans-58-38.1-177.7-64.1178.7-172.900113.2F260 G266F260-E262 PolarHBondContact O-N 2.81Å; E262-G266 PolarHBondContact O-N 3.07Å
263V95.1Very high92.3Very high91 Ų9169.9 Ų69.955%0.55236%0.364SS*.Hα-helixtrans-68.6-50.6179.1179.50000110.4F260 P261 G266 M267F260-V263 HydrophobicContact CB-CB 4.17Å; F260-V263 HydrophobicContact CB-CG2 4.35Å; F260-V263 PolarHBondContact O-N 3.27Å; P261-V263 VanDerWaalsContact C-N 3.28Å; P261-V263 PolarHBondContact O-N 2.74Å; V263-G266 PolarHBondContact O-N 2.87Å; V263-M267 WeakPolarHBondContact O-CG 3.18Å; V263-M267 PolarHBondContact O-N 2.76Å; V263-M267 VanDerWaalsContact O-N 3.08Å
264I92Very high92.4Very high8 Ų869.9 Ų69.94%0.04136%0.364CS..Hα-helixtrans-72.4-36.5-175.1-59-61.1000111.1R256 L257 F260 P261 M267 F268 L337R256-I264 HydrophobicContact CB-CD1 4.04Å; R256-I264 HydrophobicContact CB-CG1 4.14Å; L257-I264 HydrophobicContact CB-CB 4.4Å; L257-I264 HydrophobicContact CB-CG2 3.99Å; L257-I264 HydrophobicContact CD1-CB 3.93Å; L257-I264 HydrophobicContact CD1-CG2 3.84Å; F260-I264 HydrophobicContact CB-CG1 4.49Å; F260-I264 WeakPolarHBondContact O-CG1 3.32Å; F260-I264 PolarHBondContact O-N 2.91Å; P261-I264 PolarHBondContact O-N 3.49Å; I264-M267 HydrophobicContact CD1-SD 4.28Å; I264-M267 WeakPolarHBondContact O-CB 3.35Å; I264-M267 PolarHBondContact O-N 3.13Å; I264-F268 HydrophobicContact CG2-CD2 4.22Å; I264-F268 HydrophobicContact CG2-CE1 4.4Å; I264-F268 HydrophobicContact CG2-CE2 3.81Å; I264-F268 HydrophobicContact CG2-CZ 3.91Å; I264-F268 WeakPolarHBondContact O-CG 3.44Å; I264-F268 PolarHBondContact O-N 2.74Å; I264-L337 HydrophobicContact CD1-CD2 3.79Å; I264-L337 HydrophobicContact CG2-CD2 4Å
265E92Very high92.5Very high107 Ų10764.9 Ų64.950%0.534%0.342SS..Hα-helixtrans-62.9-44.6172.6-72.8174.517800111.2L257 P261 M267 F268 S269L257-E265 HydrophobicContact CD1-CG 3.81Å; P261-E265 VanDerWaalsContact O-CB 3.25Å; P261-E265 WeakPolarHBondContact O-CB 3.44Å; P261-E265 VanDerWaalsContact O-CG 3.25Å; P261-E265 WeakPolarHBondContact O-CG 3.46Å; P261-E265 PolarHBondContact O-N 3.12Å; E265-M267 VanDerWaalsContact C-N 3.28Å; E265-M267 PolarHBondContact O-N 3.19Å; E265-F268 PolarHBondContact O-N 2.8Å; E265-F268 VanDerWaalsContact O-N 3.09Å; E265-S269 PolarHBondContact O-N 2.89Å; E265-S269 PolarHBondContact O-OG 2.84Å
266G94.5Very high92.3Very high41 Ų4166.4 Ų66.442%0.42334%0.342SS..Hα-helixtrans-57.7-40.1173.500000112.8E262 V263 S269 A270E262-G266 PolarHBondContact O-N 3.07Å; V263-G266 PolarHBondContact O-N 2.87Å; G266-S269 PolarHBondContact O-N 3.18Å; G266-A270 PolarHBondContact O-N 2.85Å
267M92.6Very high92Very high30 Ų3065.6 Ų65.615%0.14834%0.343CS..Hα-helixtrans-66-41.3174.1-66.618079.400112.3V263 I264 E265 A270 I271 L333 L337V263-M267 WeakPolarHBondContact O-CG 3.18Å; V263-M267 PolarHBondContact O-N 2.76Å; V263-M267 VanDerWaalsContact O-N 3.08Å; I264-M267 HydrophobicContact CD1-SD 4.28Å; I264-M267 WeakPolarHBondContact O-CB 3.35Å; I264-M267 PolarHBondContact O-N 3.13Å; E265-M267 VanDerWaalsContact C-N 3.28Å; E265-M267 PolarHBondContact O-N 3.19Å; M267-A270 PolarHBondContact O-N 3.26Å; M267-I271 VanDerWaalsContact O-CG1 3.3Å; M267-I271 WeakPolarHBondContact O-CG1 3.3Å; M267-I271 PolarHBondContact O-N 3.46Å; M267-L333 HydrophobicContact CE-CB 4.35Å; M267-L333 HydrophobicContact CE-CD2 4.14Å; M267-L333 WeakPolarHBondContact CE-O 3.45Å; M267-L337 HydrophobicContact CB-CD2 4.09Å; M267-L337 HydrophobicContact CE-CD2 3.94Å; M267-L337 HydrophobicContact CE-CG 3.85Å; M267-L337 HydrophobicContact SD-CD2 3.74Å; M267-L337 HydrophobicContact SD-CG 4.33Å
268F90.6Very high91.8Very high30 Ų3063.1 Ų63.113%0.13233%0.33CS..Hα-helixtrans-64.2-40.5175-71.9-25.5000112.7V9 V253 L257 I264 E265 A270 I271 D272 L337V9-F268 HydrophobicContact CG1-CB 4.33Å; V9-F268 HydrophobicContact CG2-CD1 4.25Å; V253-F268 HydrophobicContact CG1-CE1 4.12Å; V253-F268 HydrophobicContact CG1-CZ 3.59Å; L257-F268 HydrophobicContact CD1-CE2 4.44Å; L257-F268 HydrophobicContact CD2-CE2 4.34Å; I264-F268 HydrophobicContact CG2-CD2 4.22Å; I264-F268 HydrophobicContact CG2-CE1 4.4Å; I264-F268 HydrophobicContact CG2-CE2 3.81Å; I264-F268 HydrophobicContact CG2-CZ 3.91Å; I264-F268 WeakPolarHBondContact O-CG 3.44Å; I264-F268 PolarHBondContact O-N 2.74Å; E265-F268 PolarHBondContact O-N 2.8Å; E265-F268 VanDerWaalsContact O-N 3.09Å; F268-A270 VanDerWaalsContact C-N 3.31Å; F268-A270 PolarHBondContact O-N 2.9Å; F268-I271 HydrophobicContact CD1-CD1 4.49Å; F268-I271 PolarHBondContact O-N 3.27Å; F268-D272 PolarHBondContact O-N 3.34Å; F268-L337 HydrophobicContact CD1-CD1 4.29Å; F268-L337 HydrophobicContact CE1-CD1 3.85Å; F268-L337 HydrophobicContact CE1-CD2 4.39Å
269S91.3Very high91.3Very high78 Ų7856 Ų5655%0.54530%0.3SS..Hα-helixtrans-60.9-40.8173.6-61.10000111.8E265 G266 D272 A273E265-S269 PolarHBondContact O-N 2.89Å; E265-S269 PolarHBondContact O-OG 2.84Å; G266-S269 PolarHBondContact O-N 3.18Å; S269-D272 PolarHBondContact O-N 2.78Å; S269-A273 WeakPolarHBondContact O-CB 3.46Å; S269-A273 PolarHBondContact O-N 3.4Å
270A93.2Very high90.5Very high39 Ų3952.7 Ų52.732%0.32228%0.284SS..Hα-helixtrans-64.5-42.4174.600000112.1G266 M267 F268 A273 I274 L333G266-A270 PolarHBondContact O-N 2.85Å; M267-A270 PolarHBondContact O-N 3.26Å; F268-A270 VanDerWaalsContact C-N 3.31Å; F268-A270 PolarHBondContact O-N 2.9Å; A270-A273 PolarHBondContact O-N 2.8Å; A270-I274 VanDerWaalsContact O-CG1 3.27Å; A270-I274 WeakPolarHBondContact O-CG1 3.2Å; A270-I274 PolarHBondContact O-N 2.96Å; A270-L333 HydrophobicContact CB-CD1 3.84Å
271I91.6Very high89.7Confident0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-66.4-38.1176.9-63.4165.1000111.5V6 V9 M267 F268 I274 S275 L333 L334 L337V6-I271 HydrophobicContact CG1-CG2 3.92Å; V6-I271 HydrophobicContact CG2-CG2 3.84Å; V9-I271 HydrophobicContact CG2-CB 3.68Å; V9-I271 HydrophobicContact CG2-CD1 4.44Å; V9-I271 HydrophobicContact CG2-CG2 3.33Å; M267-I271 VanDerWaalsContact O-CG1 3.3Å; M267-I271 WeakPolarHBondContact O-CG1 3.3Å; M267-I271 PolarHBondContact O-N 3.46Å; F268-I271 HydrophobicContact CD1-CD1 4.49Å; F268-I271 PolarHBondContact O-N 3.27Å; I271-I274 PolarHBondContact O-N 2.87Å; I271-S275 WeakPolarHBondContact O-CB 3.31Å; I271-S275 PolarHBondContact O-N 3.24Å; I271-S275 PolarHBondContact O-OG 3.16Å; I271-L333 HydrophobicContact CD1-CB 4.18Å; I271-L333 HydrophobicContact CG1-CB 4.02Å; I271-L333 HydrophobicContact CG1-CD1 3.8Å; I271-L334 HydrophobicContact CD1-CD2 4Å; I271-L337 HydrophobicContact CD1-CD1 3.77Å
272D90Very high89Confident17 Ų1746.1 Ų46.19%0.09125%0.25CS..Hα-helixtrans-62.7-45.8173176.276.5000111.4G13 T14 R219 F268 S269 I274 S275 R276G13-D272 VanDerWaalsContact CA-OD1 3.31Å; G13-D272 WeakPolarHBondContact CA-OD1 3.39Å; T14-D272 WeakPolarHBondContact CB-OD1 3.22Å; T14-D272 PolarHBondContact N-OD1 3.24Å; T14-D272 PolarHBondContact OG1-OD1 3.34Å; R219-D272 IonicContact CZ-OD1 3.3Å; R219-D272 IonicContact NH1-OD1 2.99Å; R219-D272 PolarHBondContact NH1-OD1 3.33Å; R219-D272 VanDerWaalsContact NH1-OD1 3.12Å; R219-D272 IonicContact NH1-OD2 2.73Å; F268-D272 PolarHBondContact O-N 3.34Å; S269-D272 PolarHBondContact O-N 2.78Å; D272-I274 PolarHBondContact O-N 3.32Å; D272-S275 WeakPolarHBondContact O-CB 3.08Å; D272-S275 PolarHBondContact O-N 3.45Å; D272-S275 VanDerWaalsContact O-N 3.09Å; D272-R276 PolarHBondContact O-N 3Å; D272-R276 IonicContact OD2-CZ 3.89Å; D272-R276 IonicContact OD2-NE 2.65Å; D272-R276 PolarHBondContact OD2-NE 3.48Å; D272-R276 IonicContact OD2-NH2 3.02Å; D272-R276 PolarHBondContact OD2-NH2 3.47Å
273A89.9Confident87.8Confident36 Ų3638.1 Ų38.130%0.29821%0.214SC..Hα-helixtrans-59.9-44.7176.700000111.9S269 A270 S275 R276 D277S269-A273 WeakPolarHBondContact O-CB 3.46Å; S269-A273 PolarHBondContact O-N 3.4Å; A270-A273 PolarHBondContact O-N 2.8Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 2.85Å; A273-R276 PolarHBondContact O-N 2.75Å; A273-D277 PolarHBondContact O-N 2.73Å
274I90.8Very high86.2Confident13 Ų1338.5 Ų38.57%0.06721%0.209CC..Hα-helixtrans-57.4-42.2173.5-71.7164.3000111A270 I271 D272 D277 A278 L326 I329 N330 L333A270-I274 VanDerWaalsContact O-CG1 3.27Å; A270-I274 WeakPolarHBondContact O-CG1 3.2Å; A270-I274 PolarHBondContact O-N 2.96Å; I271-I274 PolarHBondContact O-N 2.87Å; D272-I274 PolarHBondContact O-N 3.32Å; I274-D277 PolarHBondContact O-N 2.92Å; I274-A278 VanDerWaalsContact O-CB 3.23Å; I274-A278 WeakPolarHBondContact O-CB 3.49Å; I274-A278 PolarHBondContact O-N 2.81Å; I274-L326 HydrophobicContact CB-CD2 4.44Å; I274-L326 HydrophobicContact CG1-CD2 4.21Å; I274-L326 HydrophobicContact CG2-CB 3.94Å; I274-L326 HydrophobicContact CG2-CD2 4.08Å; I274-L326 HydrophobicContact CG2-CG 4.39Å; I274-I329 HydrophobicContact CD1-CB 4.23Å; I274-I329 HydrophobicContact CD1-CG2 3.69Å; I274-N330 HydrophobicContact CD1-CB 4.19Å; I274-N330 HydrophobicContact CG2-CB 4.07Å; I274-L333 HydrophobicContact CD1-CD1 3.58Å
275S88.5Confident84.4Confident0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-69-37.8-178.1-58.10000112V6 T14 I271 D272 A273 A278 V279V6-S275 WeakPolarHBondContact CG2-OG 3.26Å; T14-S275 WeakPolarHBondContact O-CB 3.49Å; T14-S275 PolarHBondContact O-OG 3.36Å; I271-S275 WeakPolarHBondContact O-CB 3.31Å; I271-S275 PolarHBondContact O-N 3.24Å; I271-S275 PolarHBondContact O-OG 3.16Å; D272-S275 WeakPolarHBondContact O-CB 3.08Å; D272-S275 PolarHBondContact O-N 3.45Å; D272-S275 VanDerWaalsContact O-N 3.09Å; A273-S275 VanDerWaalsContact C-N 3.26Å; A273-S275 PolarHBondContact O-N 2.85Å; S275-A278 WeakPolarHBondContact O-CB 3.11Å; S275-A278 PolarHBondContact O-N 2.82Å; S275-V279 WeakPolarHBondContact O-CG2 3.32Å; S275-V279 PolarHBondContact O-N 3.23Å
276R86.2Confident82.3Confident115 Ų11536.1 Ų36.143%0.43420%0.201SC..Hα-helixtrans-65.5-43.3172.3-73.5-170.5-82.6145.43.6112.7T14 D272 A273 A278 V279 R280T14-R276 HydrophobicContact CG2-CG 4.37Å; D272-R276 PolarHBondContact O-N 3Å; D272-R276 IonicContact OD2-CZ 3.89Å; D272-R276 IonicContact OD2-NE 2.65Å; D272-R276 PolarHBondContact OD2-NE 3.48Å; D272-R276 IonicContact OD2-NH2 3.02Å; D272-R276 PolarHBondContact OD2-NH2 3.47Å; A273-R276 PolarHBondContact O-N 2.75Å; R276-A278 VanDerWaalsContact C-N 3.29Å; R276-A278 PolarHBondContact O-N 2.89Å; R276-V279 PolarHBondContact O-N 2.96Å; R276-R280 PolarHBondContact O-N 3.21Å
277D86Confident79.9Confident63 Ų6338.3 Ų38.334%0.33720%0.2SC..Hα-helixtrans-65.7-35.6175.1-77.3-15.7000111.5A273 I274 R280 I281 L326A273-D277 PolarHBondContact O-N 2.73Å; I274-D277 PolarHBondContact O-N 2.92Å; D277-R280 PolarHBondContact O-N 3.28Å; D277-R280 IonicContact OD1-CZ 3.12Å; D277-R280 IonicContact OD1-NH1 2.81Å; D277-R280 PolarHBondContact OD1-NH1 3.47Å; D277-I281 WeakPolarHBondContact O-CB 3.3Å; D277-I281 VanDerWaalsContact O-CG1 3.28Å; D277-I281 WeakPolarHBondContact O-CG1 3.43Å; D277-I281 PolarHBondContact O-N 2.71Å; D277-L326 HydrophobicContact CB-CD1 3.81Å; D277-L326 HydrophobicContact CB-CD2 4.45Å
278A85.8Confident77.6Confident0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-59.8-4817200000111.8I274 S275 R276 R280 I281 L282 F323 L326I274-A278 VanDerWaalsContact O-CB 3.23Å; I274-A278 WeakPolarHBondContact O-CB 3.49Å; I274-A278 PolarHBondContact O-N 2.81Å; S275-A278 WeakPolarHBondContact O-CB 3.11Å; S275-A278 PolarHBondContact O-N 2.82Å; R276-A278 VanDerWaalsContact C-N 3.29Å; R276-A278 PolarHBondContact O-N 2.89Å; A278-R280 VanDerWaalsContact C-N 3.35Å; A278-R280 PolarHBondContact O-N 2.88Å; A278-I281 PolarHBondContact O-N 2.77Å; A278-L282 WeakPolarHBondContact O-CB 3.31Å; A278-L282 VanDerWaalsContact O-CG 3.25Å; A278-L282 WeakPolarHBondContact O-CG 3.25Å; A278-L282 PolarHBondContact O-N 3.27Å; A278-F323 HydrophobicContact CB-CD2 4.25Å; A278-F323 HydrophobicContact CB-CE2 3.54Å; A278-F323 HydrophobicContact CB-CZ 4.47Å; A278-L326 HydrophobicContact CB-CD1 4.09Å
279V83.8Confident75.3Confident16 Ų1647.6 Ų47.610%0.09725%0.252CS..Hα-helixtrans-54.3-53.5173.4170.70000109.8T14 V16 L227 S275 R276 I281 L282 G283T14-V279 HydrophobicContact CG2-CG2 4.37Å; V16-V279 HydrophobicContact CG2-CG2 3.46Å; V16-V279 VanDerWaalsContact CG2-CG2 3.46Å; L227-V279 HydrophobicContact CD1-CG1 4.39Å; L227-V279 HydrophobicContact CD2-CG1 3.83Å; S275-V279 WeakPolarHBondContact O-CG2 3.32Å; S275-V279 PolarHBondContact O-N 3.23Å; R276-V279 PolarHBondContact O-N 2.96Å; V279-I281 VanDerWaalsContact C-N 3.31Å; V279-I281 PolarHBondContact O-N 3.19Å; V279-L282 PolarHBondContact O-N 3.36Å; V279-L282 VanDerWaalsContact O-N 3.14Å; V279-G283 PolarHBondContact O-N 2.66Å
280R79.6Confident72.9Confident83 Ų8346.3 Ų46.331%0.31324%0.239SC..Hα-helixtrans-58.5-38-178.4-171.9-168.7-77.4151.11113.4R276 D277 A278 S301R276-R280 PolarHBondContact O-N 3.21Å; D277-R280 PolarHBondContact O-N 3.28Å; D277-R280 IonicContact OD1-CZ 3.12Å; D277-R280 IonicContact OD1-NH1 2.81Å; D277-R280 PolarHBondContact OD1-NH1 3.47Å; A278-R280 VanDerWaalsContact C-N 3.35Å; A278-R280 PolarHBondContact O-N 2.88Å; R280-S301 PolarHBondContact NE-O 3.04Å; R280-S301 PolarHBondContact NH2-OG 3.41Å
281I79.9Confident70.1Confident29 Ų2953.9 Ų53.915%0.14927%0.268CS..Hα-helixtrans-69.8-47176.4-72.9165.3000110.7D277 A278 V279 K319 C322 F323 L326D277-I281 WeakPolarHBondContact O-CB 3.3Å; D277-I281 VanDerWaalsContact O-CG1 3.28Å; D277-I281 WeakPolarHBondContact O-CG1 3.43Å; D277-I281 PolarHBondContact O-N 2.71Å; A278-I281 PolarHBondContact O-N 2.77Å; V279-I281 VanDerWaalsContact C-N 3.31Å; V279-I281 PolarHBondContact O-N 3.19Å; I281-K319 HydrophobicContact CG2-CB 3.82Å; I281-K319 HydrophobicContact CG2-CG 4.02Å; I281-K319 WeakPolarHBondContact CG2-O 3.49Å; I281-K319 VanDerWaalsContact O-CD 3.24Å; I281-K319 WeakPolarHBondContact O-CD 3.48Å; I281-K319 VanDerWaalsContact O-CE 3.24Å; I281-K319 WeakPolarHBondContact O-CE 3.49Å; I281-K319 PolarHBondContact O-NZ 3.09Å; I281-C322 HydrophobicContact CD1-CB 3.63Å; I281-C322 HydrophobicContact CG1-CB 4.47Å; I281-F323 HydrophobicContact CG2-CB 4.15Å; I281-F323 HydrophobicContact CG2-CD2 4.15Å; I281-L326 HydrophobicContact CD1-CD1 3.62Å; I281-L326 HydrophobicContact CD1-CG 4.41Å
282L78.8Confident67.6Low3 Ų363.7 Ų63.72%0.01631%0.305CS..Hα-helixtrans-68.5-40.9-175-73.2177.5000112.9V16 V215 L227 L230 P231 L233 A278 V279 F323V16-L282 HydrophobicContact CG1-CD1 4.06Å; V215-L282 HydrophobicContact CG1-CD1 4.36Å; L227-L282 HydrophobicContact CD1-CB 4.15Å; L227-L282 HydrophobicContact CD1-CD1 4.41Å; L230-L282 HydrophobicContact CD2-CB 4.13Å; P231-L282 WeakPolarHBondContact CD-O 3.23Å; L233-L282 HydrophobicContact CD1-CD2 3.29Å; A278-L282 WeakPolarHBondContact O-CB 3.31Å; A278-L282 VanDerWaalsContact O-CG 3.25Å; A278-L282 WeakPolarHBondContact O-CG 3.25Å; A278-L282 PolarHBondContact O-N 3.27Å; V279-L282 PolarHBondContact O-N 3.36Å; V279-L282 VanDerWaalsContact O-N 3.14Å; L282-F323 HydrophobicContact CD1-CE1 4.44Å; L282-F323 HydrophobicContact CD1-CE2 3.68Å; L282-F323 HydrophobicContact CD1-CZ 3.53Å; L282-F323 HydrophobicContact CD2-CD1 4.39Å; L282-F323 HydrophobicContact CD2-CD2 4.26Å; L282-F323 HydrophobicContact CD2-CE1 3.96Å; L282-F323 HydrophobicContact CD2-CE2 3.88Å; L282-F323 HydrophobicContact CD2-CZ 3.74Å; L282-F323 HydrophobicContact CG-CD2 4.19Å; L282-F323 HydrophobicContact CG-CE1 4.46Å; L282-F323 HydrophobicContact CG-CE2 3.56Å; L282-F323 HydrophobicContact CG-CZ 3.75Å
283G71.7Confident65Low2 Ų270.7 Ų70.72%0.02134%0.341CS..  trans-177.8169.8-177.200000112.4V279V279-G283 PolarHBondContact O-N 2.66Å
284H62.3Low62.5Low98 Ų9872.2 Ų72.245%0.45435%0.348SS..EExtended strand (participates in β ladder)trans-93.8133.8170.9-57.893.1000108.1
285P53.7Low59.9Low22 Ų2276.5 Ų76.514%0.14338%0.376CS..EExtended strand (participates in β ladder)trans-60.9137.9168.822.9-29.5000110.2E225 H287E225-P285 WeakPolarHBondContact OE2-CB 3.27Å; P285-H287 PolarHBondContact O-N 3.04Å
286D47.9Very low57.4Low43 Ų4385.4 Ų85.423%0.2342%0.417CS..  trans-75.288.7174.2178.614.7000109.9S288 K289D286-S288 VanDerWaalsContact CG-OG 3.28Å; D286-S288 PolarHBondContact O-N 2.94Å; D286-S288 WeakPolarHBondContact OD1-CB 3.5Å; D286-S288 PolarHBondContact OD1-N 3.21Å; D286-S288 PolarHBondContact OD1-OG 3.23Å; D286-S288 PolarHBondContact OD2-OG 2.74Å; D286-K289 WeakPolarHBondContact OD2-CE 3.3Å; D286-K289 IonicContact OD2-NZ 3.93Å; D286-K289 PolarHBondContact OD2-NZ 3.22Å
287H44.9Very low55.1Low88 Ų8887.3 Ų87.341%0.40744%0.436SS..G310 helixtrans-68.1-7.8176-67.8-57.1000113.7P285 K289 N290P285-H287 PolarHBondContact O-N 3.04Å; H287-K289 PolarHBondContact O-N 2.73Å; H287-K289 VanDerWaalsContact O-N 3.15Å; H287-N290 PolarHBondContact O-N 3.42Å
288S43Very low52.8Low102 Ų10288.9 Ų88.971%0.71344%0.441SS*.G310 helixtrans-66.7-15.4178.776.40000113.2D286D286-S288 VanDerWaalsContact CG-OG 3.28Å; D286-S288 PolarHBondContact O-N 2.94Å; D286-S288 WeakPolarHBondContact OD1-CB 3.5Å; D286-S288 PolarHBondContact OD1-N 3.21Å; D286-S288 PolarHBondContact OD1-OG 3.23Å; D286-S288 PolarHBondContact OD2-OG 2.74Å
289K42.6Very low50.1Low152 Ų15295.9 Ų95.966%0.66147%0.474SS*.G310 helixtrans-106.8-12.5-179.2-68.1175.2-169.7127.70115.4E228 D286 H287E228-K289 IonicContact OE1-NZ 3.87Å; D286-K289 WeakPolarHBondContact OD2-CE 3.3Å; D286-K289 IonicContact OD2-NZ 3.93Å; D286-K289 PolarHBondContact OD2-NZ 3.22Å; H287-K289 PolarHBondContact O-N 2.73Å; H287-K289 VanDerWaalsContact O-N 3.15Å
290N40.3Very low47.6Very low51 Ų51105.9 Ų105.927%0.27351%0.511SS..  trans-109.189.7-174.4-98.3-8.3000111.9E225 H287 R292E225-N290 PolarHBondContact OE1-ND2 2.82Å; H287-N290 PolarHBondContact O-N 3.42Å; N290-R292 VanDerWaalsContact C-N 3.28Å; N290-R292 PolarHBondContact O-N 2.78Å
291Q35.6Very low45.4Very low199 Ų199104.5 Ų104.593%0.9351%0.514SS*.  trans-90.528.2175.4-134.7178.135.400113.4
292R37.6Very low43.2Very low205 Ų205106.3 Ų106.377%0.77452%0.524SS*.SBendtrans-108.6127.5171.9-101.6-172.9-179.11791.8111.3N290 C294N290-R292 VanDerWaalsContact C-N 3.28Å; N290-R292 PolarHBondContact O-N 2.78Å; R292-C294 PolarHBondContact O-N 3.36Å
293I35.7Very low41Very low165 Ų165115.4 Ų115.485%0.84657%0.566SS**  trans-6291.9-176-53.7162.4000108.9
294C37Very low39.5Very low67 Ų67118.7 Ų118.745%0.45359%0.586SS.*  trans-69.1136.4145.4-66.90000106.1R292R292-C294 PolarHBondContact O-N 3.36Å
295T36.5Very low38.5Very low104 Ų104120.4 Ų120.464%0.63859%0.594SS**  trans-51.9148-178.7440000111.5D297 E298T295-D297 PolarHBondContact O-N 3.03Å; T295-E298 PolarHBondContact O-N 3.19Å
296E36.5Very low38.1Very low186 Ų186120.8 Ų120.887%0.86960%0.596SS**G310 helixtrans-55.3-10.4-168.8-70.5177.6152.300116E298E296-E298 PolarHBondContact O-N 3.04Å
297D37.3Very low38.1Very low155 Ų155124.6 Ų124.683%0.82962%0.624SS**G310 helixtrans-70.8-8.4179.3-72-33.6000115.3T295T295-D297 PolarHBondContact O-N 3.03Å
298E38.1Very low38.2Very low97 Ų97123.8 Ų123.845%0.45363%0.628SS.*G310 helixtrans-100.60.2179.7-68.7-167.9143.300115.1R219 T295 E296R219-E298 IonicContact CZ-OE1 3.19Å; R219-E298 IonicContact NE-OE1 2.9Å; R219-E298 PolarHBondContact NE-OE1 3.29Å; R219-E298 IonicContact NH2-OE1 2.86Å; R219-E298 PolarHBondContact NH2-OE1 2.55Å; T295-E298 PolarHBondContact O-N 3.19Å; E296-E298 PolarHBondContact O-N 3.04Å
299H30.2Very low38.4Very low146 Ų146119.7 Ų119.768%0.67660%0.599SS**SBendtrans-85.5-5.6-174.8-132.866000115.9S301H299-S301 PolarHBondContact O-N 3.34Å
300Y29.6Very low38.5Very low226 Ų226117.2 Ų117.289%0.88660%0.597SS**SBendtrans-93.914.4-164.9-166.9-107.6000116.9
301S33.1Very low38.7Very low54 Ų54121.3 Ų121.338%0.37861%0.614SS.*  trans-148.642.7-179.357.50000117.3R280 H299R280-S301 PolarHBondContact NE-O 3.04Å; R280-S301 PolarHBondContact NH2-OG 3.41Å; H299-S301 PolarHBondContact O-N 3.34Å
302L35.5Very low39.3Very low68 Ų68118.9 Ų118.936%0.35661%0.607SS.*SBendtrans-88-7.1172-80.3154.6000114.4
303Q32.1Very low39.7Very low193 Ų193117.5 Ų117.590%0.90261%0.607SS**  trans-108.460.3166.7-73.4-171.7-8.400110.9H305Q303-H305 VanDerWaalsContact C-N 3.34Å; Q303-H305 PolarHBondContact O-N 3.33Å; Q303-H305 VanDerWaalsContact O-N 3.1Å
304V41Very low40.5Very low71 Ų71112.2 Ų112.243%0.4358%0.582SS.*  trans-82.795.7165-177.40000107.2C306V304-C306 PolarHBondContact O-N 3.09Å
305H39.3Very low41.5Very low135 Ų135111.3 Ų111.363%0.62557%0.572SS**  trans-44.799.8137.7-107.365.4000106.2Q303 P307Q303-H305 VanDerWaalsContact C-N 3.34Å; Q303-H305 PolarHBondContact O-N 3.33Å; Q303-H305 VanDerWaalsContact O-N 3.1Å; H305-P307 WeakPolarHBondContact O-CD 3.47Å; H305-P307 VanDerWaalsContact O-N 3.09Å
306C45.7Very low42.7Very low29 Ų29108.9 Ų108.920%0.19656%0.557CS.*  trans-55.6116.4150.4143.60000103.3V304 S308 C309 V318V304-C306 PolarHBondContact O-N 3.09Å; C306-S308 PolarHBondContact O-N 3.18Å; C306-S308 PolarHBondContact SG-OG 3.43Å; C306-C309 HydrophobicContact CB-CB 3.42Å; C306-C309 VanDerWaalsContact CB-CB 3.42Å; C306-C309 WeakPolarHBondContact CB-SG 3.34Å; C306-C309 WeakPolarHBondContact O-CB 3.21Å; C306-C309 PolarHBondContact O-N 2.85Å; C306-C309 WeakPolarHBondContact SG-CB 3.45Å; C306-C309 PolarHBondContact SG-N 2.95Å; C306-C309 VanDerWaalsContact SG-N 3.37Å; C306-C309 CovalentContact SG-SG 2.04Å; C306-C309 PolarHBondContact SG-SG 3.45Å; C306-V318 VanDerWaalsContact SG-CG1 3.55Å
307P47.4Very low44Very low123 Ų123103 Ų10380%0.79953%0.534SS*.THydrogen-bonded Turntrans-58.7-19.5-170.9-25.935000112.6H305H305-P307 WeakPolarHBondContact O-CD 3.47Å; H305-P307 VanDerWaalsContact O-N 3.09Å
308S48.7Very low45.3Very low71 Ų7196.9 Ų96.950%0.49750%0.502SS..THydrogen-bonded Turntrans-92.3-1.7173.9490000115.3C306 V314 V318C306-S308 PolarHBondContact O-N 3.18Å; C306-S308 PolarHBondContact SG-OG 3.43Å; S308-V314 WeakPolarHBondContact O-CG1 3.38Å; S308-V318 WeakPolarHBondContact OG-CG1 3.35Å
309C45.8Very low46.9Very low17 Ų1794.2 Ų94.212%0.11549%0.489CS..  trans-113.364.2-169.5-61.60000112.9C306 I315 V318C306-C309 HydrophobicContact CB-CB 3.42Å; C306-C309 VanDerWaalsContact CB-CB 3.42Å; C306-C309 WeakPolarHBondContact CB-SG 3.34Å; C306-C309 WeakPolarHBondContact O-CB 3.21Å; C306-C309 PolarHBondContact O-N 2.85Å; C306-C309 WeakPolarHBondContact SG-CB 3.45Å; C306-C309 PolarHBondContact SG-N 2.95Å; C306-C309 VanDerWaalsContact SG-N 3.37Å; C306-C309 CovalentContact SG-SG 2.04Å; C306-C309 PolarHBondContact SG-SG 3.45Å; C309-I315 HydrophobicContact CB-CG1 4.05Å; C309-V318 VanDerWaalsContact SG-CB 3.53Å; C309-V318 WeakPolarHBondContact SG-CG1 3.3Å
310T45.2Very low49Very low99 Ų9987.3 Ų87.361%0.60746%0.457SS*.  trans-104.62.6-176.447.30000115.8
311Q44.3Very low51.3Low137 Ų13779.5 Ų79.564%0.6443%0.433SS*.SBendtrans-135.6138.2174.5-99.7-178.8-9.200111.4F313 V314 I315Q311-F313 VanDerWaalsContact C-N 3.3Å; Q311-F313 PolarHBondContact O-N 3.35Å; Q311-F313 VanDerWaalsContact O-N 3.08Å; Q311-V314 HydrophobicContact CB-CB 4.05Å; Q311-V314 HydrophobicContact CB-CG2 3.69Å; Q311-V314 CarbonylContact O-C 3.4Å; Q311-V314 VanDerWaalsContact O-CA 3.24Å; Q311-V314 WeakPolarHBondContact O-CA 3.47Å; Q311-V314 WeakPolarHBondContact O-CB 3.45Å; Q311-V314 PolarHBondContact O-N 3.28Å; Q311-I315 WeakPolarHBondContact O-CG1 3.36Å; Q311-I315 PolarHBondContact O-N 2.87Å
312L48.5Very low53.6Low149 Ų14979 Ų7978%0.7843%0.429SS*.Hα-helixtrans-51.3-41.1-170.5-161.173.9000114.8I315 T316L312-I315 HydrophobicContact CD1-CD1 4.36Å; L312-I315 WeakPolarHBondContact O-CB 3.22Å; L312-I315 PolarHBondContact O-N 2.76Å; L312-T316 PolarHBondContact O-N 2.77Å
313F46.9Very low55.8Low175 Ų17575.8 Ų75.877%0.76841%0.412SS*.Hα-helixtrans-72.9-33.3176.5-148.5-92.8000112.5Q311 I315Q311-F313 VanDerWaalsContact C-N 3.3Å; Q311-F313 PolarHBondContact O-N 3.35Å; Q311-F313 VanDerWaalsContact O-N 3.08Å; F313-I315 VanDerWaalsContact C-N 3.31Å
314V51.4Low58.4Low54 Ų5467 Ų6733%0.32737%0.371SS..Hα-helixtrans-66.8-34.8171-175.80000110.1S308 Q311 T316 V318S308-V314 WeakPolarHBondContact O-CG1 3.38Å; Q311-V314 HydrophobicContact CB-CB 4.05Å; Q311-V314 HydrophobicContact CB-CG2 3.69Å; Q311-V314 CarbonylContact O-C 3.4Å; Q311-V314 VanDerWaalsContact O-CA 3.24Å; Q311-V314 WeakPolarHBondContact O-CA 3.47Å; Q311-V314 WeakPolarHBondContact O-CB 3.45Å; Q311-V314 PolarHBondContact O-N 3.28Å; V314-T316 PolarHBondContact O-N 3.08Å; V314-V318 HydrophobicContact CG1-CG2 3.73Å; V314-V318 VanDerWaalsContact O-CB 3.24Å; V314-V318 WeakPolarHBondContact O-CB 3.4Å; V314-V318 WeakPolarHBondContact O-CG2 3.49Å; V314-V318 PolarHBondContact O-N 3.04Å
315I59Low60.6Low49 Ų4966.9 Ų66.925%0.25137%0.366SS..Hα-helixtrans-60.6-49.5-179.8-65.7172.9000110.9C309 Q311 L312 F313 V318 K319C309-I315 HydrophobicContact CB-CG1 4.05Å; Q311-I315 WeakPolarHBondContact O-CG1 3.36Å; Q311-I315 PolarHBondContact O-N 2.87Å; L312-I315 HydrophobicContact CD1-CD1 4.36Å; L312-I315 WeakPolarHBondContact O-CB 3.22Å; L312-I315 PolarHBondContact O-N 2.76Å; F313-I315 VanDerWaalsContact C-N 3.31Å; I315-V318 PolarHBondContact O-N 3.24Å; I315-K319 HydrophobicContact CG2-CD 3.69Å; I315-K319 VanDerWaalsContact CG2-CE 3.48Å; I315-K319 HydrophobicContact CG2-CG 4.01Å; I315-K319 WeakPolarHBondContact O-CB 3.05Å; I315-K319 WeakPolarHBondContact O-CG 3.2Å; I315-K319 PolarHBondContact O-N 3.45Å
316T61.1Low63Low52 Ų5261.3 Ų61.332%0.31934%0.341SS..Hα-helixtrans-65.5-45.2-176.6-55.40000112.6P231 L312 V314 K319 N320P231-T316 HydrophobicContact CB-CG2 4.34Å; L312-T316 PolarHBondContact O-N 2.77Å; V314-T316 PolarHBondContact O-N 3.08Å; T316-K319 PolarHBondContact O-N 3.3Å; T316-N320 WeakPolarHBondContact O-CB 3.08Å; T316-N320 PolarHBondContact O-N 2.92Å
317V63.2Low65.1Low64 Ų6460 Ų6039%0.38833%0.331SS..Hα-helixtrans-65.5-43179.8177.60000110.9N320 T321V317-N320 PolarHBondContact O-N 3.46Å; V317-T321 PolarHBondContact O-N 2.96Å; V317-T321 PolarHBondContact O-OG1 2.78Å
318V65.4Low67.2Low25 Ų2558.8 Ų58.815%0.15231%0.311CS..Hα-helixtrans-68.5-43.4178179.70000110.7C306 S308 C309 V314 I315 N320 T321 C322C306-V318 VanDerWaalsContact SG-CG1 3.55Å; S308-V318 WeakPolarHBondContact OG-CG1 3.35Å; C309-V318 VanDerWaalsContact SG-CB 3.53Å; C309-V318 WeakPolarHBondContact SG-CG1 3.3Å; V314-V318 HydrophobicContact CG1-CG2 3.73Å; V314-V318 VanDerWaalsContact O-CB 3.24Å; V314-V318 WeakPolarHBondContact O-CB 3.4Å; V314-V318 WeakPolarHBondContact O-CG2 3.49Å; V314-V318 PolarHBondContact O-N 3.04Å; I315-V318 PolarHBondContact O-N 3.24Å; V318-N320 VanDerWaalsContact C-N 3.33Å; V318-N320 PolarHBondContact O-N 2.99Å; V318-T321 PolarHBondContact O-N 2.95Å; V318-T321 VanDerWaalsContact O-N 3.15Å; V318-C322 WeakPolarHBondContact O-CB 3.34Å; V318-C322 PolarHBondContact O-N 2.88Å; V318-C322 PolarHBondContact O-SG 3.18Å
319K72.4Confident69.4Low42 Ų4259 Ų5918%0.18331%0.306CS..Hα-helixtrans-54.4-48.4173.4-79.9-176.9170.7-147.80111.5I281 I315 T316 T321 C322 F323I281-K319 HydrophobicContact CG2-CB 3.82Å; I281-K319 HydrophobicContact CG2-CG 4.02Å; I281-K319 WeakPolarHBondContact CG2-O 3.49Å; I281-K319 VanDerWaalsContact O-CD 3.24Å; I281-K319 WeakPolarHBondContact O-CD 3.48Å; I281-K319 VanDerWaalsContact O-CE 3.24Å; I281-K319 WeakPolarHBondContact O-CE 3.49Å; I281-K319 PolarHBondContact O-NZ 3.09Å; I315-K319 HydrophobicContact CG2-CD 3.69Å; I315-K319 VanDerWaalsContact CG2-CE 3.48Å; I315-K319 HydrophobicContact CG2-CG 4.01Å; I315-K319 WeakPolarHBondContact O-CB 3.05Å; I315-K319 WeakPolarHBondContact O-CG 3.2Å; I315-K319 PolarHBondContact O-N 3.45Å; T316-K319 PolarHBondContact O-N 3.3Å; K319-T321 VanDerWaalsContact C-N 3.35Å; K319-T321 PolarHBondContact O-N 2.86Å; K319-C322 PolarHBondContact O-N 3.46Å; K319-F323 VanDerWaalsContact O-CB 3.24Å; K319-F323 WeakPolarHBondContact O-CB 3.36Å; K319-F323 PolarHBondContact O-N 3.17Å
320N74.1Confident71.6Confident1 Ų158.1 Ų58.11%0.00530%0.3CS..Hα-helixtrans-61.5-43.3178.3-174.8-72000111.6L233 T316 V317 V318 F323 Q324 L373L233-N320 HydrophobicContact CD2-CB 4.26Å; L233-N320 WeakPolarHBondContact CD2-ND2 2.93Å; T316-N320 WeakPolarHBondContact O-CB 3.08Å; T316-N320 PolarHBondContact O-N 2.92Å; V317-N320 PolarHBondContact O-N 3.46Å; V318-N320 VanDerWaalsContact C-N 3.33Å; V318-N320 PolarHBondContact O-N 2.99Å; N320-F323 PolarHBondContact O-N 2.67Å; N320-Q324 WeakPolarHBondContact O-CG 3.45Å; N320-Q324 PolarHBondContact O-N 2.92Å; N320-Q324 PolarHBondContact OD1-NE2 3.27Å; N320-L373 PolarHBondContact ND2-O 2.78Å; N320-L373 PolarHBondContact OD1-O 3.37Å
321T77.3Confident73.9Confident62 Ų6253.6 Ų53.638%0.3827%0.272SS..Hα-helixtrans-64.8-50.1178.1-54.60000111.5V317 V318 K319 F323 Q324 E325V317-T321 PolarHBondContact O-N 2.96Å; V317-T321 PolarHBondContact O-OG1 2.78Å; V318-T321 PolarHBondContact O-N 2.95Å; V318-T321 VanDerWaalsContact O-N 3.15Å; K319-T321 VanDerWaalsContact C-N 3.35Å; K319-T321 PolarHBondContact O-N 2.86Å; T321-F323 PolarHBondContact O-N 3.44Å; T321-Q324 PolarHBondContact O-N 3.32Å; T321-E325 WeakPolarHBondContact O-CG 3.28Å; T321-E325 PolarHBondContact O-N 3.32Å
322C81.7Confident76.3Confident43 Ų4352.1 Ų52.129%0.29127%0.265SS..Hα-helixtrans-57.3-40175.8-67.90000111.3I281 V318 K319 E325 L326I281-C322 HydrophobicContact CD1-CB 3.63Å; I281-C322 HydrophobicContact CG1-CB 4.47Å; V318-C322 WeakPolarHBondContact O-CB 3.34Å; V318-C322 PolarHBondContact O-N 2.88Å; V318-C322 PolarHBondContact O-SG 3.18Å; K319-C322 PolarHBondContact O-N 3.46Å; C322-E325 WeakPolarHBondContact O-CB 3.29Å; C322-E325 PolarHBondContact O-N 3.41Å; C322-L326 WeakPolarHBondContact O-CG 3.15Å; C322-L326 PolarHBondContact O-N 2.74Å
323F82.1Confident78.5Confident1 Ų146.8 Ų46.80%0.00424%0.237CC..Hα-helixtrans-67.7-39.6178.8-158.6-118.2000113.1F5 L233 A278 I281 L282 K319 N320 T321 E325 L326 C327 F372F5-F323 HydrophobicContact CD1-CZ 4.48Å; F5-F323 HydrophobicContact CD2-CZ 4.43Å; F5-F323 HydrophobicContact CE1-CE1 4.11Å; F5-F323 HydrophobicContact CE1-CE2 4.12Å; F5-F323 AromaticContact CE1-CZ 3.57Å; F5-F323 HydrophobicContact CE1-CZ 3.57Å; F5-F323 AromaticContact CE2-CE1 3.74Å; F5-F323 HydrophobicContact CE2-CE1 3.74Å; F5-F323 AromaticContact CE2-CZ 3.51Å; F5-F323 HydrophobicContact CE2-CZ 3.51Å; F5-F323 HydrophobicContact CZ-CD1 4.23Å; F5-F323 AromaticContact CZ-CE1 3.21Å; F5-F323 HydrophobicContact CZ-CE1 3.21Å; F5-F323 AromaticContact CZ-CE2 3.97Å; F5-F323 HydrophobicContact CZ-CE2 3.97Å; F5-F323 AromaticContact CZ-CZ 3Å; F5-F323 HydrophobicContact CZ-CZ 3Å; L233-F323 HydrophobicContact CD1-CD1 4.43Å; L233-F323 HydrophobicContact CD1-CE1 4.44Å; A278-F323 HydrophobicContact CB-CD2 4.25Å; A278-F323 HydrophobicContact CB-CE2 3.54Å; A278-F323 HydrophobicContact CB-CZ 4.47Å; I281-F323 HydrophobicContact CG2-CB 4.15Å; I281-F323 HydrophobicContact CG2-CD2 4.15Å; L282-F323 HydrophobicContact CD1-CE1 4.44Å; L282-F323 HydrophobicContact CD1-CE2 3.68Å; L282-F323 HydrophobicContact CD1-CZ 3.53Å; L282-F323 HydrophobicContact CD2-CD1 4.39Å; L282-F323 HydrophobicContact CD2-CD2 4.26Å; L282-F323 HydrophobicContact CD2-CE1 3.96Å; L282-F323 HydrophobicContact CD2-CE2 3.88Å; L282-F323 HydrophobicContact CD2-CZ 3.74Å; L282-F323 HydrophobicContact CG-CD2 4.19Å; L282-F323 HydrophobicContact CG-CE1 4.46Å; L282-F323 HydrophobicContact CG-CE2 3.56Å; L282-F323 HydrophobicContact CG-CZ 3.75Å; K319-F323 VanDerWaalsContact O-CB 3.24Å; K319-F323 WeakPolarHBondContact O-CB 3.36Å; K319-F323 PolarHBondContact O-N 3.17Å; N320-F323 PolarHBondContact O-N 2.67Å; T321-F323 PolarHBondContact O-N 3.44Å; F323-E325 VanDerWaalsContact C-N 3.32Å; F323-L326 PolarHBondContact O-N 2.89Å; F323-C327 PolarHBondContact O-N 2.96Å; F323-C327 PolarHBondContact O-SG 3.02Å; F323-F372 HydrophobicContact CD1-CD1 4.48Å; F323-F372 AromaticContact CD1-CD2 3.5Å; F323-F372 HydrophobicContact CD1-CD2 3.5Å; F323-F372 VanDerWaalsContact CD1-CD2 3.5Å; F323-F372 AromaticContact CD1-CE2 3.68Å; F323-F372 HydrophobicContact CD1-CE2 3.68Å; F323-F372 AromaticContact CD1-CG 3.95Å; F323-F372 HydrophobicContact CD1-CG 3.95Å; F323-F372 HydrophobicContact CD1-CZ 4.21Å; F323-F372 AromaticContact CE1-CD2 3.57Å; F323-F372 HydrophobicContact CE1-CD2 3.57Å; F323-F372 HydrophobicContact CE1-CE1 4.21Å; F323-F372 AromaticContact CE1-CE2 3.2Å; F323-F372 HydrophobicContact CE1-CE2 3.2Å; F323-F372 HydrophobicContact CE1-CG 4.26Å; F323-F372 AromaticContact CE1-CZ 3.54Å; F323-F372 HydrophobicContact CE1-CZ 3.54Å; F323-F372 HydrophobicContact CZ-CE2 4.31Å
324Q85.3Confident80.6Confident8 Ų838.4 Ų38.44%0.03720%0.201CC..Hα-helixtrans-62.4-40172.3-72.9-17447.400111.7N320 T321 C327 R328 G355 F372N320-Q324 WeakPolarHBondContact O-CG 3.45Å; N320-Q324 PolarHBondContact O-N 2.92Å; N320-Q324 PolarHBondContact OD1-NE2 3.27Å; T321-Q324 PolarHBondContact O-N 3.32Å; Q324-C327 WeakPolarHBondContact O-CB 3.28Å; Q324-C327 PolarHBondContact O-N 3.37Å; Q324-R328 WeakPolarHBondContact O-CB 3.49Å; Q324-R328 PolarHBondContact O-N 2.81Å; Q324-G355 PolarHBondContact OE1-O 2.96Å; Q324-F372 HydrophobicContact CG-CB 4.04Å; Q324-F372 PolarHBondContact NE2-O 3.39Å
325E88Confident82.6Confident68 Ų6838 Ų3832%0.31820%0.196SC..Hα-helixtrans-62.8-43.9174.7-69.7-57.2140.400111.9T321 C322 F323 C327 R328 I329T321-E325 WeakPolarHBondContact O-CG 3.28Å; T321-E325 PolarHBondContact O-N 3.32Å; C322-E325 WeakPolarHBondContact O-CB 3.29Å; C322-E325 PolarHBondContact O-N 3.41Å; F323-E325 VanDerWaalsContact C-N 3.32Å; E325-C327 VanDerWaalsContact C-N 3.34Å; E325-C327 PolarHBondContact O-N 2.93Å; E325-R328 WeakPolarHBondContact O-CB 3.42Å; E325-R328 PolarHBondContact O-N 3.48Å; E325-R328 IonicContact OE1-NE 2.89Å; E325-R328 IonicContact OE2-CZ 3.93Å; E325-R328 IonicContact OE2-NE 3.25Å; E325-R328 PolarHBondContact OE2-NE 2.88Å; E325-R328 IonicContact OE2-NH2 2.74Å; E325-R328 PolarHBondContact OE2-NH2 3.12Å; E325-I329 VanDerWaalsContact O-CG1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.46Å; E325-I329 PolarHBondContact O-N 3.32Å
326L89.8Confident84.2Confident19 Ų1937.8 Ų37.810%0.09921%0.206CC..Hα-helixtrans-60.4-42.3173.4-71.3-173000112.1I274 D277 A278 I281 C322 F323 R328 I329 N330I274-L326 HydrophobicContact CB-CD2 4.44Å; I274-L326 HydrophobicContact CG1-CD2 4.21Å; I274-L326 HydrophobicContact CG2-CB 3.94Å; I274-L326 HydrophobicContact CG2-CD2 4.08Å; I274-L326 HydrophobicContact CG2-CG 4.39Å; D277-L326 HydrophobicContact CB-CD1 3.81Å; D277-L326 HydrophobicContact CB-CD2 4.45Å; A278-L326 HydrophobicContact CB-CD1 4.09Å; I281-L326 HydrophobicContact CD1-CD1 3.62Å; I281-L326 HydrophobicContact CD1-CG 4.41Å; C322-L326 WeakPolarHBondContact O-CG 3.15Å; C322-L326 PolarHBondContact O-N 2.74Å; F323-L326 PolarHBondContact O-N 2.89Å; L326-R328 VanDerWaalsContact C-N 3.34Å; L326-R328 PolarHBondContact O-N 2.93Å; L326-I329 PolarHBondContact O-N 3.07Å; L326-N330 WeakPolarHBondContact O-CB 3.34Å; L326-N330 PolarHBondContact O-N 3.42Å
327C89.9Confident85.6Confident0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-59.4-45.6174.7-68.60000111.4F5 F323 Q324 E325 N330 N331 K359F5-C327 WeakPolarHBondContact CZ-SG 3.37Å; F323-C327 PolarHBondContact O-N 2.96Å; F323-C327 PolarHBondContact O-SG 3.02Å; Q324-C327 WeakPolarHBondContact O-CB 3.28Å; Q324-C327 PolarHBondContact O-N 3.37Å; E325-C327 VanDerWaalsContact C-N 3.34Å; E325-C327 PolarHBondContact O-N 2.93Å; C327-N330 PolarHBondContact O-N 2.8Å; C327-N331 WeakPolarHBondContact O-CB 3.31Å; C327-N331 PolarHBondContact O-N 2.82Å; C327-K359 HydrophobicContact CB-CB 4.18Å
328R92Very high86.9Confident98 Ų9833.3 Ų33.337%0.3718%0.183SC..Hα-helixtrans-59.8-51.7178.8-170.1175.965.381.4-2.2111.5Q324 E325 L326 N331 Q332 H357Q324-R328 WeakPolarHBondContact O-CB 3.49Å; Q324-R328 PolarHBondContact O-N 2.81Å; E325-R328 WeakPolarHBondContact O-CB 3.42Å; E325-R328 PolarHBondContact O-N 3.48Å; E325-R328 IonicContact OE1-NE 2.89Å; E325-R328 IonicContact OE2-CZ 3.93Å; E325-R328 IonicContact OE2-NE 3.25Å; E325-R328 PolarHBondContact OE2-NE 2.88Å; E325-R328 IonicContact OE2-NH2 2.74Å; E325-R328 PolarHBondContact OE2-NH2 3.12Å; L326-R328 VanDerWaalsContact C-N 3.34Å; L326-R328 PolarHBondContact O-N 2.93Å; R328-N331 PolarHBondContact O-N 2.82Å; R328-Q332 WeakPolarHBondContact O-CG 3.49Å; R328-Q332 PolarHBondContact O-N 2.85Å; R328-Q332 VanDerWaalsContact O-N 3.15Å; R328-H357 HydrophobicContact CB-CB 3.7Å; R328-H357 HydrophobicContact CG-CB 3.94Å
329I93.5Very high88.1Confident75 Ų7532.1 Ų32.139%0.38518%0.175SC..Hα-helixtrans-63.5-46.9-178.9-62.7164.5000109.8I274 E325 L326 N331 Q332 L333I274-I329 HydrophobicContact CD1-CB 4.23Å; I274-I329 HydrophobicContact CD1-CG2 3.69Å; E325-I329 VanDerWaalsContact O-CG1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.46Å; E325-I329 PolarHBondContact O-N 3.32Å; L326-I329 PolarHBondContact O-N 3.07Å; I329-N331 VanDerWaalsContact C-N 3.33Å; I329-N331 PolarHBondContact O-N 3.35Å; I329-Q332 PolarHBondContact O-N 3.1Å; I329-L333 HydrophobicContact CG2-CD1 4.28Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 3.14Å
330N92.9Very high88.9Confident0 Ų031.2 Ų31.20%018%0.178CC..Hα-helixtrans-59.3-45.3179.1-163.1-11000111I274 L326 C327 Q332 L333 L334 K359I274-N330 HydrophobicContact CD1-CB 4.19Å; I274-N330 HydrophobicContact CG2-CB 4.07Å; L326-N330 WeakPolarHBondContact O-CB 3.34Å; L326-N330 PolarHBondContact O-N 3.42Å; C327-N330 PolarHBondContact O-N 2.8Å; N330-Q332 VanDerWaalsContact C-N 3.3Å; N330-Q332 PolarHBondContact O-N 2.81Å; N330-L333 WeakPolarHBondContact O-CB 3.49Å; N330-L333 PolarHBondContact O-N 2.91Å; N330-L333 VanDerWaalsContact O-N 3.15Å; N330-L334 WeakPolarHBondContact O-CG 3.27Å; N330-L334 PolarHBondContact O-N 3.49Å; N330-K359 HydrophobicContact CB-CD 4.08Å; N330-K359 WeakPolarHBondContact ND2-CE 3.49Å
331N93.6Very high89.8Confident3 Ų333.9 Ų33.92%0.01619%0.191CC..Hα-helixtrans-60.3-39.1178.5-163.669.8000112.7C327 R328 I329 L334 I335 P358 K359 M360C327-N331 WeakPolarHBondContact O-CB 3.31Å; C327-N331 PolarHBondContact O-N 2.82Å; R328-N331 PolarHBondContact O-N 2.82Å; I329-N331 VanDerWaalsContact C-N 3.33Å; I329-N331 PolarHBondContact O-N 3.35Å; N331-L334 PolarHBondContact O-N 3.25Å; N331-I335 WeakPolarHBondContact O-CG1 3.47Å; N331-I335 PolarHBondContact O-N 3.5Å; N331-P358 WeakPolarHBondContact CB-O 3.31Å; N331-K359 HydrophobicContact CB-CB 4.35Å; N331-K359 HydrophobicContact CB-CG 4.16Å; N331-K359 WeakPolarHBondContact OD1-CA 3.35Å; N331-M360 VanDerWaalsContact OD1-CE 3.29Å; N331-M360 WeakPolarHBondContact OD1-CE 3.43Å; N331-M360 PolarHBondContact OD1-N 2.66Å
332Q94.4Very high90.5Very high107 Ų10735.5 Ų35.550%0.520%0.202SC..Hα-helixtrans-68-37.8175.7-66-57.3-3600112.6R328 I329 N330 L334 I335 G336R328-Q332 WeakPolarHBondContact O-CG 3.49Å; R328-Q332 PolarHBondContact O-N 2.85Å; R328-Q332 VanDerWaalsContact O-N 3.15Å; I329-Q332 PolarHBondContact O-N 3.1Å; N330-Q332 VanDerWaalsContact C-N 3.3Å; N330-Q332 PolarHBondContact O-N 2.81Å; Q332-L334 VanDerWaalsContact C-N 3.32Å; Q332-L334 PolarHBondContact O-N 3.27Å; Q332-I335 PolarHBondContact O-N 2.91Å; Q332-G336 PolarHBondContact O-N 2.94Å
333L93.7Very high91.1Very high36 Ų3637.9 Ų37.919%0.18821%0.208CC..Hα-helixtrans-61.7-41.5172-67.8172.6000111.2M267 A270 I271 I274 I329 N330 G336 L337M267-L333 HydrophobicContact CE-CB 4.35Å; M267-L333 HydrophobicContact CE-CD2 4.14Å; M267-L333 WeakPolarHBondContact CE-O 3.45Å; A270-L333 HydrophobicContact CB-CD1 3.84Å; I271-L333 HydrophobicContact CD1-CB 4.18Å; I271-L333 HydrophobicContact CG1-CB 4.02Å; I271-L333 HydrophobicContact CG1-CD1 3.8Å; I274-L333 HydrophobicContact CD1-CD1 3.58Å; I329-L333 HydrophobicContact CG2-CD1 4.28Å; I329-L333 WeakPolarHBondContact O-CG 3.29Å; I329-L333 PolarHBondContact O-N 3.14Å; N330-L333 WeakPolarHBondContact O-CB 3.49Å; N330-L333 PolarHBondContact O-N 2.91Å; N330-L333 VanDerWaalsContact O-N 3.15Å; L333-G336 CarbonylContact O-C 3.39Å; L333-G336 WeakPolarHBondContact O-CA 3.24Å; L333-G336 PolarHBondContact O-N 3.5Å; L333-L337 WeakPolarHBondContact O-CG 3.23Å; L333-L337 PolarHBondContact O-N 3.34Å
334L92.1Very high91.5Very high0 Ų037.8 Ų37.80%021%0.207CC..Hα-helixtrans-63.9-41.5175.5-64.6-177.8000112.5H8 I271 N330 N331 Q332 G336 L337 G338 V339 M360H8-L334 HydrophobicContact CB-CD2 3.89Å; H8-L334 WeakPolarHBondContact CD2-CD2 3.28Å; I271-L334 HydrophobicContact CD1-CD2 4Å; N330-L334 WeakPolarHBondContact O-CG 3.27Å; N330-L334 PolarHBondContact O-N 3.49Å; N331-L334 PolarHBondContact O-N 3.25Å; Q332-L334 VanDerWaalsContact C-N 3.32Å; Q332-L334 PolarHBondContact O-N 3.27Å; L334-G336 VanDerWaalsContact C-N 3.3Å; L334-G336 PolarHBondContact O-N 2.93Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 3.47Å; L334-G338 PolarHBondContact O-N 2.89Å; L334-V339 HydrophobicContact CB-CG2 3.86Å; L334-V339 HydrophobicContact CD2-CG2 4.47Å; L334-V339 WeakPolarHBondContact O-CG2 3.36Å; L334-V339 PolarHBondContact O-N 3.02Å; L334-M360 HydrophobicContact CB-CE 3.95Å; L334-M360 HydrophobicContact CB-CG 4.41Å; L334-M360 HydrophobicContact CB-SD 3.86Å; L334-M360 HydrophobicContact CD1-CG 3.59Å; L334-M360 HydrophobicContact CD1-SD 4.07Å
335I92.6Very high91.9Very high46 Ų4640.4 Ų40.424%0.23622%0.221CC..Hα-helixtrans-59.2-43.9171.9-68.5166.3000110.3N331 Q332 L337 G338 M360N331-I335 WeakPolarHBondContact O-CG1 3.47Å; N331-I335 PolarHBondContact O-N 3.5Å; Q332-I335 PolarHBondContact O-N 2.91Å; I335-L337 VanDerWaalsContact C-N 3.32Å; I335-L337 PolarHBondContact O-N 2.82Å; I335-G338 VanDerWaalsContact O-CA 3.31Å; I335-G338 WeakPolarHBondContact O-CA 3.25Å; I335-G338 PolarHBondContact O-N 3.32Å; I335-M360 HydrophobicContact CG1-CE 3.81Å
336G92.2Very high92.3Very high44 Ų4441.5 Ų41.545%0.45423%0.227SC..Hα-helixtrans-60.8-36.817500000113.6R256 Q332 L333 L334 G338R256-G336 PolarHBondContact NH1-O 2.97Å; Q332-G336 PolarHBondContact O-N 2.94Å; L333-G336 CarbonylContact O-C 3.39Å; L333-G336 WeakPolarHBondContact O-CA 3.24Å; L333-G336 PolarHBondContact O-N 3.5Å; L334-G336 VanDerWaalsContact C-N 3.3Å; L334-G336 PolarHBondContact O-N 2.93Å; G336-G338 PolarHBondContact O-N 3.41Å; G336-G338 VanDerWaalsContact O-N 3.16Å
337L91.6Very high92.6Very high0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-66.8-10.7171.5-69.3178.7000112.9R256 I264 M267 F268 I271 L333 L334 I335R256-L337 WeakPolarHBondContact CD-O 3.14Å; R256-L337 VanDerWaalsContact CZ-O 3.29Å; R256-L337 PolarHBondContact NE-O 3.04Å; R256-L337 PolarHBondContact NH1-O 3.39Å; I264-L337 HydrophobicContact CD1-CD2 3.79Å; I264-L337 HydrophobicContact CG2-CD2 4Å; M267-L337 HydrophobicContact CB-CD2 4.09Å; M267-L337 HydrophobicContact CE-CD2 3.94Å; M267-L337 HydrophobicContact CE-CG 3.85Å; M267-L337 HydrophobicContact SD-CD2 3.74Å; M267-L337 HydrophobicContact SD-CG 4.33Å; F268-L337 HydrophobicContact CD1-CD1 4.29Å; F268-L337 HydrophobicContact CE1-CD1 3.85Å; F268-L337 HydrophobicContact CE1-CD2 4.39Å; I271-L337 HydrophobicContact CD1-CD1 3.77Å; L333-L337 WeakPolarHBondContact O-CG 3.23Å; L333-L337 PolarHBondContact O-N 3.34Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 3.47Å; I335-L337 VanDerWaalsContact C-N 3.32Å; I335-L337 PolarHBondContact O-N 2.82Å
338G90Very high92.8Very high21 Ų2141.4 Ų41.422%0.21623%0.228CC..THydrogen-bonded Turntrans87.616.1174.500000114.9L252 R256 L334 I335 G336 G340L252-G338 VanDerWaalsContact CD2-O 3.25Å; L252-G338 WeakPolarHBondContact CD2-O 3.49Å; R256-G338 VanDerWaalsContact NH1-N 3.16Å; L334-G338 PolarHBondContact O-N 2.89Å; I335-G338 VanDerWaalsContact O-CA 3.31Å; I335-G338 WeakPolarHBondContact O-CA 3.25Å; I335-G338 PolarHBondContact O-N 3.32Å; G336-G338 PolarHBondContact O-N 3.41Å; G336-G338 VanDerWaalsContact O-N 3.16Å; G338-G340 VanDerWaalsContact C-N 3.34Å
339V90.2Very high93Very high0 Ų040.8 Ų40.80%023%0.234CC..  trans-98.314.2178-60.80000112M249 V253 L334 M360 G364 G365M249-V339 HydrophobicContact CB-CG1 4.14Å; M249-V339 HydrophobicContact SD-CB 4.24Å; M249-V339 HydrophobicContact SD-CG1 4.12Å; V253-V339 HydrophobicContact CG2-CG1 3.63Å; L334-V339 HydrophobicContact CB-CG2 3.86Å; L334-V339 HydrophobicContact CD2-CG2 4.47Å; L334-V339 WeakPolarHBondContact O-CG2 3.36Å; L334-V339 PolarHBondContact O-N 3.02Å; V339-M360 HydrophobicContact CG2-SD 4.03Å; V339-G364 CarbonylContact O-C 3.54Å; V339-G365 PolarHBondContact O-N 2.99Å
340G90.2Very high93.1Very high24 Ų2437.4 Ų37.425%0.24722%0.218CC..  trans-70.9175.1170.100000112.9G338G338-G340 VanDerWaalsContact C-N 3.34Å
341H92.1Very high93.2Very high56 Ų5637.4 Ų37.426%0.25922%0.218SC..  trans-153.5141.3173.3-173.8-87.5000109.5K343 I344 D345H341-K343 PolarHBondContact ND1-N 2.94Å; H341-K343 VanDerWaalsContact ND1-N 3.19Å; H341-K343 PolarHBondContact O-N 2.94Å; H341-I344 HydrophobicContact CB-CB 4.32Å; H341-I344 HydrophobicContact CB-CD1 3.95Å; H341-I344 HydrophobicContact CB-CG1 4.02Å; H341-I344 WeakPolarHBondContact O-CA 3.49Å; H341-I344 VanDerWaalsContact O-CB 3.28Å; H341-I344 WeakPolarHBondContact O-CB 3.2Å; H341-I344 PolarHBondContact O-N 3.29Å; H341-D345 PolarHBondContact O-N 3.14Å
342P93.2Very high93.2Very high97 Ų9739.3 Ų39.363%0.6323%0.233SC*.Hα-helixtrans-54.2-35.9-176.3-29.535.6000114.8D345 Q346P342-D345 PolarHBondContact O-N 3.47Å; P342-Q346 PolarHBondContact O-N 3.28Å
343K93.8Very high93.2Very high92 Ų9242.4 Ų42.440%0.424%0.241SC..Hα-helixtrans-67.8-35.2174-64.8-155.1-162.5178.30113.5V242 H341 Q346 I347 Y394V242-K343 HydrophobicContact CG2-CB 3.89Å; V242-K343 HydrophobicContact CG2-CD 3.54Å; V242-K343 HydrophobicContact CG2-CG 3.99Å; H341-K343 PolarHBondContact ND1-N 2.94Å; H341-K343 VanDerWaalsContact ND1-N 3.19Å; H341-K343 PolarHBondContact O-N 2.94Å; K343-Q346 WeakPolarHBondContact O-CB 3.03Å; K343-Q346 PolarHBondContact O-N 3.32Å; K343-I347 WeakPolarHBondContact O-CG1 3.44Å; K343-I347 PolarHBondContact O-N 3.39Å; K343-I347 VanDerWaalsContact O-N 3.1Å; K343-Y394 HydrophobicContact CB-CE1 4.29Å; K343-Y394 WeakPolarHBondContact CB-OH 3.03Å; K343-Y394 HydrophobicContact CD-CE1 3.86Å; K343-Y394 WeakPolarHBondContact CD-OH 3.48Å
344I91.5Very high93.1Very high0 Ų044.1 Ų44.10%025%0.245CC..Hα-helixtrans-64.1-45.4172.8-67.3178.6000108.8H341 Q346 I347 C348 M360 L369H341-I344 HydrophobicContact CB-CB 4.32Å; H341-I344 HydrophobicContact CB-CD1 3.95Å; H341-I344 HydrophobicContact CB-CG1 4.02Å; H341-I344 WeakPolarHBondContact O-CA 3.49Å; H341-I344 VanDerWaalsContact O-CB 3.28Å; H341-I344 WeakPolarHBondContact O-CB 3.2Å; H341-I344 PolarHBondContact O-N 3.29Å; I344-Q346 VanDerWaalsContact C-N 3.27Å; I344-Q346 PolarHBondContact O-N 2.99Å; I344-I347 WeakPolarHBondContact O-CB 3.35Å; I344-I347 PolarHBondContact O-N 3.15Å; I344-I347 VanDerWaalsContact O-N 3.12Å; I344-C348 PolarHBondContact O-N 3.18Å; I344-C348 PolarHBondContact O-SG 3.39Å; I344-M360 HydrophobicContact CD1-CB 4.37Å; I344-M360 HydrophobicContact CG2-CE 4.24Å; I344-L369 HydrophobicContact CG1-CD1 4.21Å; I344-L369 HydrophobicContact CG2-CD1 4.39Å; I344-L369 HydrophobicContact CG2-CD2 3.64Å; I344-L369 HydrophobicContact CG2-CG 4.14Å
345D93.6Very high93Very high62 Ų6245.4 Ų45.433%0.33226%0.258SS..Hα-helixtrans-61.9-37.3178.4-57.1-33.2000111.9H341 P342 C348 T349H341-D345 PolarHBondContact O-N 3.14Å; P342-D345 PolarHBondContact O-N 3.47Å; D345-C348 PolarHBondContact O-N 3.48Å; D345-T349 WeakPolarHBondContact O-CB 3.48Å; D345-T349 PolarHBondContact O-N 2.92Å; D345-T349 PolarHBondContact O-OG1 3.39Å
346Q95.5Very high93Very high91 Ų9143.5 Ų43.543%0.42525%0.248SC..Hα-helixtrans-61.6-45.8174-155.7-16716.300111.5P342 K343 I344 T349 T350 M392 Y394P342-Q346 PolarHBondContact O-N 3.28Å; K343-Q346 WeakPolarHBondContact O-CB 3.03Å; K343-Q346 PolarHBondContact O-N 3.32Å; I344-Q346 VanDerWaalsContact C-N 3.27Å; I344-Q346 PolarHBondContact O-N 2.99Å; Q346-T349 PolarHBondContact O-N 2.92Å; Q346-T350 PolarHBondContact O-N 2.92Å; Q346-T350 PolarHBondContact O-OG1 3.2Å; Q346-M392 HydrophobicContact CB-CE 4.23Å; Q346-M392 HydrophobicContact CG-CE 3.35Å; Q346-Y394 PolarHBondContact OE1-OH 3.04Å
347I95.4Very high92.9Very high1 Ų143.6 Ų43.61%0.00524%0.237CC..Hα-helixtrans-62.9-45.9175.9-65.8162.2000110.7V238 K343 I344 T349 T350 L351 L369 Y394V238-I347 HydrophobicContact CB-CG2 4.22Å; V238-I347 HydrophobicContact CG1-CD1 3.94Å; V238-I347 HydrophobicContact CG1-CG1 4.32Å; V238-I347 HydrophobicContact CG1-CG2 3.91Å; V238-I347 HydrophobicContact CG2-CG2 4.46Å; K343-I347 WeakPolarHBondContact O-CG1 3.44Å; K343-I347 PolarHBondContact O-N 3.39Å; K343-I347 VanDerWaalsContact O-N 3.1Å; I344-I347 WeakPolarHBondContact O-CB 3.35Å; I344-I347 PolarHBondContact O-N 3.15Å; I344-I347 VanDerWaalsContact O-N 3.12Å; I347-T349 VanDerWaalsContact C-N 3.29Å; I347-T349 PolarHBondContact O-N 3.27Å; I347-T350 PolarHBondContact O-N 3.49Å; I347-L351 HydrophobicContact CG2-CD1 3.97Å; I347-L351 HydrophobicContact CG2-CG 4.33Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 3.48Å; I347-L369 HydrophobicContact CB-CD1 4.35Å; I347-L369 HydrophobicContact CB-CD2 4.43Å; I347-L369 HydrophobicContact CD1-CD1 3.66Å; I347-L369 HydrophobicContact CG2-CD1 4.15Å; I347-L369 HydrophobicContact CG2-CD2 4.14Å; I347-Y394 HydrophobicContact CD1-CD1 4.18Å; I347-Y394 HydrophobicContact CD1-CD2 3.88Å; I347-Y394 HydrophobicContact CD1-CE1 4.22Å; I347-Y394 HydrophobicContact CD1-CE2 3.92Å; I347-Y394 HydrophobicContact CD1-CG 4.01Å; I347-Y394 HydrophobicContact CG1-CD2 3.54Å; I347-Y394 HydrophobicContact CG1-CE2 3.43Å; I347-Y394 VanDerWaalsContact CG1-CE2 3.43Å; I347-Y394 HydrophobicContact CG1-CG 4.19Å
348C94.9Very high93Very high17 Ų1743.8 Ų43.812%0.11524%0.238CC..Hα-helixtrans-56.1-44.5175.5-68.60000111.5I344 D345 A352 P358I344-C348 PolarHBondContact O-N 3.18Å; I344-C348 PolarHBondContact O-SG 3.39Å; D345-C348 PolarHBondContact O-N 3.48Å; C348-A352 VanDerWaalsContact O-CB 3.25Å; C348-A352 WeakPolarHBondContact O-CB 3.49Å; C348-A352 PolarHBondContact O-N 3.15Å; C348-P358 HydrophobicContact CB-CG 4.26Å
349T95.4Very high93Very high84 Ų8442.8 Ų42.852%0.51523%0.228SC..Hα-helixtrans-65.3-44.1179.9-58.10000111.7D345 Q346 I347 A352D345-T349 WeakPolarHBondContact O-CB 3.48Å; D345-T349 PolarHBondContact O-N 2.92Å; D345-T349 PolarHBondContact O-OG1 3.39Å; Q346-T349 PolarHBondContact O-N 2.92Å; I347-T349 VanDerWaalsContact C-N 3.29Å; I347-T349 PolarHBondContact O-N 3.27Å; T349-A352 PolarHBondContact O-N 2.93Å
350T95.7Very high93.1Very high5 Ų542.8 Ų42.83%0.03123%0.228CC..Hα-helixtrans-61.9-50176.6-63.90000111.2Q346 I347 A352 R353 Y354 E388 M392Q346-T350 PolarHBondContact O-N 2.92Å; Q346-T350 PolarHBondContact O-OG1 3.2Å; I347-T350 PolarHBondContact O-N 3.49Å; T350-A352 VanDerWaalsContact C-N 3.31Å; T350-A352 PolarHBondContact O-N 2.81Å; T350-R353 WeakPolarHBondContact O-CB 3.44Å; T350-R353 PolarHBondContact O-N 3.37Å; T350-Y354 WeakPolarHBondContact O-CD2 3.48Å; T350-E388 HydrophobicContact CG2-CG 3.93Å; T350-M392 HydrophobicContact CG2-SD 4.17Å; T350-M392 WeakPolarHBondContact OG1-CE 3.13Å; T350-M392 PolarHBondContact OG1-SD 2.99Å
351L95.1Very high92.8Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-66-32.4-179.8-67.7-177.4000112.8L236 V238 I347 R353 Y354 G355 I356 P358 I385L236-L351 HydrophobicContact CD2-CD1 4.14Å; L236-L351 HydrophobicContact CD2-CD2 3.77Å; V238-L351 HydrophobicContact CG2-CD1 4.3Å; I347-L351 HydrophobicContact CG2-CD1 3.97Å; I347-L351 HydrophobicContact CG2-CG 4.33Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 3.48Å; L351-R353 PolarHBondContact O-N 3.29Å; L351-Y354 PolarHBondContact O-N 2.79Å; L351-G355 PolarHBondContact O-N 2.8Å; L351-I356 CarbonylContact C-O 3.47Å; L351-I356 HydrophobicContact CB-CB 4.18Å; L351-I356 HydrophobicContact CB-CG2 4.28Å; L351-I356 WeakPolarHBondContact CB-O 3.19Å; L351-I356 HydrophobicContact CD1-CG2 4.41Å; L351-I356 PolarHBondContact O-N 3.38Å; L351-I356 VanDerWaalsContact O-N 3.1Å; L351-P358 HydrophobicContact CD1-CB 4.01Å; L351-P358 HydrophobicContact CD1-CG 3.89Å; L351-I385 HydrophobicContact CD2-CG2 3.5Å
352A93.7Very high92.2Very high42 Ų4239.1 Ų39.135%0.34721%0.205SC..Hα-helixtrans-61.7-29177.200000113.1C348 T349 T350 Y354 G355 I356C348-A352 VanDerWaalsContact O-CB 3.25Å; C348-A352 WeakPolarHBondContact O-CB 3.49Å; C348-A352 PolarHBondContact O-N 3.15Å; T349-A352 PolarHBondContact O-N 2.93Å; T350-A352 VanDerWaalsContact C-N 3.31Å; T350-A352 PolarHBondContact O-N 2.81Å; A352-Y354 PolarHBondContact O-N 2.88Å; A352-G355 PolarHBondContact O-N 3.31Å; A352-I356 PolarHBondContact N-O 2.79Å
353R94.3Very high91.4Very high173 Ų17334.7 Ų34.765%0.65318%0.176SC*.THydrogen-bonded Turntrans-62.3-24.6174.2-63174.1-176.7166.8-1.3112.9T350 L351 E388T350-R353 WeakPolarHBondContact O-CB 3.44Å; T350-R353 PolarHBondContact O-N 3.37Å; L351-R353 PolarHBondContact O-N 3.29Å; R353-E388 IonicContact NH1-OE1 2.77Å; R353-E388 PolarHBondContact NH1-OE1 2.83Å
354Y92.4Very high90.8Very high72 Ų7230.3 Ų30.328%0.28216%0.157SC..THydrogen-bonded Turntrans-97.26.5176.2-61.1-84.2000112.6T350 L351 A352 I356 V381 M384 I385 E388T350-Y354 WeakPolarHBondContact O-CD2 3.48Å; L351-Y354 PolarHBondContact O-N 2.79Å; A352-Y354 PolarHBondContact O-N 2.88Å; Y354-I356 VanDerWaalsContact C-N 3.3Å; Y354-I356 PolarHBondContact O-N 3.39Å; Y354-V381 HydrophobicContact CD1-CG1 3.94Å; Y354-M384 HydrophobicContact CE1-CB 4.45Å; Y354-I385 HydrophobicContact CD1-CD1 4.13Å; Y354-I385 HydrophobicContact CD1-CG1 3.79Å; Y354-I385 HydrophobicContact CD2-CD1 4.3Å; Y354-I385 HydrophobicContact CD2-CG1 3.63Å; Y354-I385 HydrophobicContact CE1-CG1 3.92Å; Y354-I385 HydrophobicContact CE2-CG1 3.76Å; Y354-I385 HydrophobicContact CG-CD1 3.9Å; Y354-I385 HydrophobicContact CG-CG1 3.63Å; Y354-E388 PolarHBondContact OH-OE2 3.26Å
355G89.3Confident90.5Very high27 Ų2730.7 Ų30.728%0.27816%0.162SC..THydrogen-bonded Turntrans66.430.5-17500000113.3Q324 L351 A352Q324-G355 PolarHBondContact OE1-O 2.96Å; L351-G355 PolarHBondContact O-N 2.8Å; A352-G355 PolarHBondContact O-N 3.31Å
356I92.2Very high90.1Very high5 Ų527.8 Ų27.83%0.02615%0.146CC..  trans-112.2127.7178.1-62.6161.1000108.3L351 A352 Y354 P358 A371 L373 I385L351-I356 CarbonylContact C-O 3.47Å; L351-I356 HydrophobicContact CB-CB 4.18Å; L351-I356 HydrophobicContact CB-CG2 4.28Å; L351-I356 WeakPolarHBondContact CB-O 3.19Å; L351-I356 HydrophobicContact CD1-CG2 4.41Å; L351-I356 PolarHBondContact O-N 3.38Å; L351-I356 VanDerWaalsContact O-N 3.1Å; A352-I356 PolarHBondContact N-O 2.79Å; Y354-I356 VanDerWaalsContact C-N 3.3Å; Y354-I356 PolarHBondContact O-N 3.39Å; I356-P358 WeakPolarHBondContact O-CD 3.4Å; I356-A371 HydrophobicContact CG2-CB 3.4Å; I356-A371 VanDerWaalsContact CG2-CB 3.4Å; I356-L373 HydrophobicContact CD1-CD2 3.36Å; I356-L373 HydrophobicContact CG1-CD2 3.86Å; I356-L373 HydrophobicContact CG2-CD2 4.3Å; I356-I385 HydrophobicContact CD1-CD1 3.4Å; I356-I385 VanDerWaalsContact CD1-CD1 3.4Å
357H91.7Very high89.6Confident46 Ų4623.5 Ų23.521%0.21313%0.127CC..  trans-117.8100.2-175.5-60.5-63.4000111.1R328R328-H357 HydrophobicContact CB-CB 3.7Å; R328-H357 HydrophobicContact CG-CB 3.94Å
358P92.5Very high89.3Confident5 Ų523.5 Ų23.53%0.03213%0.126CC..  trans-78.5161.9-177.535-39.6000112.5N331 C348 L351 I356 L369 F370 A371N331-P358 WeakPolarHBondContact CB-O 3.31Å; C348-P358 HydrophobicContact CB-CG 4.26Å; L351-P358 HydrophobicContact CD1-CB 4.01Å; L351-P358 HydrophobicContact CD1-CG 3.89Å; I356-P358 WeakPolarHBondContact O-CD 3.4Å; P358-L369 HydrophobicContact CB-CB 4.01Å; P358-L369 HydrophobicContact CB-CD2 3.89Å; P358-L369 HydrophobicContact CG-CD2 3.84Å; P358-F370 CarbonylContact C-O 3.6Å; P358-F370 WeakPolarHBondContact CA-O 3.44Å; P358-F370 WeakPolarHBondContact CB-O 3.42Å; P358-A371 HydrophobicContact CB-CB 3.95Å
359K91.3Very high89.2Confident0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-123.2136.1167.1-171-166.5168.9-74.40110.2F5 C327 N330 N331 L369 F370F5-K359 HydrophobicContact CD1-CD 4.37Å; F5-K359 WeakPolarHBondContact O-CE 3.33Å; F5-K359 PolarHBondContact O-NZ 3.02Å; C327-K359 HydrophobicContact CB-CB 4.18Å; N330-K359 HydrophobicContact CB-CD 4.08Å; N330-K359 WeakPolarHBondContact ND2-CE 3.49Å; N331-K359 HydrophobicContact CB-CB 4.35Å; N331-K359 HydrophobicContact CB-CG 4.16Å; N331-K359 WeakPolarHBondContact OD1-CA 3.35Å; K359-L369 CarbonylContact O-C 3.55Å; K359-L369 VanDerWaalsContact O-CA 3.28Å; K359-L369 WeakPolarHBondContact O-CA 3.24Å; K359-F370 HydrophobicContact CB-CE1 4.41Å; K359-F370 HydrophobicContact CB-CE2 4.23Å; K359-F370 HydrophobicContact CB-CZ 3.99Å; K359-F370 HydrophobicContact CD-CE1 4.5Å; K359-F370 HydrophobicContact CD-CZ 3.98Å; K359-F370 HydrophobicContact CG-CZ 4.46Å; K359-F370 PolarHBondContact N-O 2.94Å; K359-F370 PolarHBondContact O-N 3.3Å
360M90.3Very high89Confident0 Ų018.8 Ų18.80%010%0.097CC..EExtended strand (participates in β ladder)trans-63.9148170.867.4-173.778.800112.4N331 L334 I335 V339 I344N331-M360 VanDerWaalsContact OD1-CE 3.29Å; N331-M360 WeakPolarHBondContact OD1-CE 3.43Å; N331-M360 PolarHBondContact OD1-N 2.66Å; L334-M360 HydrophobicContact CB-CE 3.95Å; L334-M360 HydrophobicContact CB-CG 4.41Å; L334-M360 HydrophobicContact CB-SD 3.86Å; L334-M360 HydrophobicContact CD1-CG 3.59Å; L334-M360 HydrophobicContact CD1-SD 4.07Å; I335-M360 HydrophobicContact CG1-CE 3.81Å; V339-M360 HydrophobicContact CG2-SD 4.03Å; I344-M360 HydrophobicContact CD1-CB 4.37Å; I344-M360 HydrophobicContact CG2-CE 4.24Å
361T85.6Confident88.7Confident2 Ų218.6 Ų18.61%0.01210%0.096CC..  trans-94.9161.6176.864.20000113.2P3 G143 L144 G364 S368 F370P3-T361 HydrophobicContact CB-CG2 4.33Å; G143-T361 VanDerWaalsContact O-CB 3.26Å; G143-T361 WeakPolarHBondContact O-CB 3.31Å; G143-T361 PolarHBondContact O-OG1 3.19Å; L144-T361 HydrophobicContact CD2-CG2 4.11Å; T361-G364 PolarHBondContact O-N 2.74Å; T361-S368 PolarHBondContact N-O 3.26Å; T361-S368 PolarHBondContact OG1-O 3Å; T361-F370 HydrophobicContact CG2-CD1 3.53Å; T361-F370 HydrophobicContact CG2-CE1 4.02Å
362G78.2Confident88.4Confident1 Ų118.8 Ų18.81%0.0110%0.097CC..THydrogen-bonded Turntrans53.3-138.6176.300000112.3H8 G364H8-G362 PolarHBondContact CD2-O 3.47Å; H8-G362 VanDerWaalsContact CD2-O 3.24Å; H8-G362 PolarHBondContact NE2-O 3.47Å; G362-G364 PolarHBondContact O-N 3.16Å
363A76.5Confident88.1Confident3 Ų316.9 Ų16.93%0.0258%0.08CC..THydrogen-bonded Turntrans-80.65.7-179.500000116.9H8 T246 M249H8-A363 WeakPolarHBondContact CE1-CA 3.42Å; H8-A363 PolarHBondContact CE1-O 2.99Å; H8-A363 VanDerWaalsContact NE2-C 3.31Å; H8-A363 WeakPolarHBondContact NE2-CA 3.27Å; T246-A363 HydrophobicContact CG2-CB 3.73Å; M249-A363 HydrophobicContact CB-CB 4.15Å; M249-A363 VanDerWaalsContact CB-O 3.26Å; M249-A363 WeakPolarHBondContact CB-O 3.37Å; M249-A363 WeakPolarHBondContact CG-O 3.47Å
364G82.7Confident87.6Confident0 Ų013.8 Ų13.80%07%0.072CC..  trans69.3-163.2-17800000115R244 V339 T361 G362 G366R244-G364 WeakPolarHBondContact CD-O 3.48Å; R244-G364 WeakPolarHBondContact CG-O 3.3Å; V339-G364 CarbonylContact O-C 3.54Å; T361-G364 PolarHBondContact O-N 2.74Å; G362-G364 PolarHBondContact O-N 3.16Å; G364-G366 VanDerWaalsContact C-N 3.28Å; G364-G366 PolarHBondContact O-N 3.25Å
365G83.2Confident86.7Confident9 Ų911.9 Ų11.99%0.0937%0.068CC..SBendtrans790.5-178.800000115.4V339V339-G365 PolarHBondContact O-N 2.99Å
366G85.6Confident86.3Confident0 Ų017.3 Ų17.30%09%0.091CC..SBendtrans154.5-152.3-174.700000110.8G364G364-G366 VanDerWaalsContact C-N 3.28Å; G364-G366 PolarHBondContact O-N 3.25Å
367G86.3Confident86Confident2 Ų218.2 Ų18.22%0.02110%0.097CC..SBendtrans70.6-136.217600000113.3N239 S240 V242N239-G367 PolarHBondContact OD1-O 3.43Å; S240-G367 VanDerWaalsContact CB-O 3.31Å; S240-G367 WeakPolarHBondContact CB-O 3.19Å; S240-G367 PolarHBondContact N-O 2.95Å; S240-G367 PolarHBondContact OG-N 2.9Å; S240-G367 PolarHBondContact OG-O 3.48Å; V242-G367 PolarHBondContact O-N 2.77Å
368S89.2Confident86Confident0 Ų018.8 Ų18.80%011%0.106CC..EExtended strand (participates in β ladder)trans-103.9154.6-172.4-50.50000113.4V142 V238 T361V142-S368 WeakPolarHBondContact CB-OG 3.28Å; V142-S368 WeakPolarHBondContact O-CB 3.27Å; V142-S368 PolarHBondContact O-N 3.47Å; V142-S368 PolarHBondContact O-OG 3.41Å; V238-S368 CarbonylContact O-C 3.48Å; V238-S368 VanDerWaalsContact O-CA 3.25Å; V238-S368 WeakPolarHBondContact O-CA 3.4Å; T361-S368 PolarHBondContact N-O 3.26Å; T361-S368 PolarHBondContact OG1-O 3Å
369L91.4Very high86Confident0 Ų023.7 Ų23.70%013%0.128CC..EExtended strand (participates in β ladder)trans-119.5146.2162.4-51.982.8000108.5L237 V238 I344 I347 P358 K359L237-L369 WeakPolarHBondContact CA-O 3.24Å; V238-L369 PolarHBondContact N-O 3.29Å; V238-L369 PolarHBondContact O-N 3.44Å; I344-L369 HydrophobicContact CG1-CD1 4.21Å; I344-L369 HydrophobicContact CG2-CD1 4.39Å; I344-L369 HydrophobicContact CG2-CD2 3.64Å; I344-L369 HydrophobicContact CG2-CG 4.14Å; I347-L369 HydrophobicContact CB-CD1 4.35Å; I347-L369 HydrophobicContact CB-CD2 4.43Å; I347-L369 HydrophobicContact CD1-CD1 3.66Å; I347-L369 HydrophobicContact CG2-CD1 4.15Å; I347-L369 HydrophobicContact CG2-CD2 4.14Å; P358-L369 HydrophobicContact CB-CB 4.01Å; P358-L369 HydrophobicContact CB-CD2 3.89Å; P358-L369 HydrophobicContact CG-CD2 3.84Å; K359-L369 CarbonylContact O-C 3.55Å; K359-L369 VanDerWaalsContact O-CA 3.28Å; K359-L369 WeakPolarHBondContact O-CA 3.24Å
370F91.2Very high86.1Confident2 Ų228.1 Ų28.11%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-115155.3164.668.3-93.4000110.6P3 F5 V235 L236 L237 P358 K359 T361 F372P3-F370 HydrophobicContact CB-CD1 3.91Å; P3-F370 HydrophobicContact CB-CE1 4.38Å; P3-F370 HydrophobicContact CB-CG 4.44Å; F5-F370 HydrophobicContact CD1-CZ 4.1Å; F5-F370 HydrophobicContact CD2-CE1 4.25Å; F5-F370 AromaticContact CD2-CE2 3.95Å; F5-F370 HydrophobicContact CD2-CE2 3.95Å; F5-F370 AromaticContact CD2-CZ 3.45Å; F5-F370 HydrophobicContact CD2-CZ 3.45Å; F5-F370 VanDerWaalsContact CD2-CZ 3.45Å; F5-F370 HydrophobicContact CE1-CE2 4.07Å; F5-F370 AromaticContact CE1-CZ 3.93Å; F5-F370 HydrophobicContact CE1-CZ 3.93Å; F5-F370 HydrophobicContact CE2-CD2 4.25Å; F5-F370 HydrophobicContact CE2-CE1 4.32Å; F5-F370 AromaticContact CE2-CE2 3.23Å; F5-F370 HydrophobicContact CE2-CE2 3.23Å; F5-F370 AromaticContact CE2-CZ 3.25Å; F5-F370 HydrophobicContact CE2-CZ 3.25Å; F5-F370 AromaticContact CG-CZ 3.86Å; F5-F370 HydrophobicContact CG-CZ 3.86Å; F5-F370 HydrophobicContact CZ-CD2 4.47Å; F5-F370 AromaticContact CZ-CE2 3.28Å; F5-F370 HydrophobicContact CZ-CE2 3.28Å; F5-F370 AromaticContact CZ-CZ 3.48Å; F5-F370 HydrophobicContact CZ-CZ 3.48Å; F5-F370 VanDerWaalsContact CZ-CZ 3.48Å; V235-F370 HydrophobicContact CG1-CB 4.28Å; L236-F370 CarbonylContact O-C 3.14Å; L236-F370 WeakPolarHBondContact O-CA 3.29Å; L237-F370 HydrophobicContact CD1-CB 4.48Å; P358-F370 CarbonylContact C-O 3.6Å; P358-F370 WeakPolarHBondContact CA-O 3.44Å; P358-F370 WeakPolarHBondContact CB-O 3.42Å; K359-F370 HydrophobicContact CB-CE1 4.41Å; K359-F370 HydrophobicContact CB-CE2 4.23Å; K359-F370 HydrophobicContact CB-CZ 3.99Å; K359-F370 HydrophobicContact CD-CE1 4.5Å; K359-F370 HydrophobicContact CD-CZ 3.98Å; K359-F370 HydrophobicContact CG-CZ 4.46Å; K359-F370 PolarHBondContact N-O 2.94Å; K359-F370 PolarHBondContact O-N 3.3Å; T361-F370 HydrophobicContact CG2-CD1 3.53Å; T361-F370 HydrophobicContact CG2-CE1 4.02Å; F370-F372 HydrophobicContact CD2-CD2 4.29Å; F370-F372 AromaticContact CD2-CE2 3.58Å; F370-F372 HydrophobicContact CD2-CE2 3.58Å; F370-F372 HydrophobicContact CD2-CZ 4.24Å; F370-F372 HydrophobicContact CE2-CD2 4.38Å; F370-F372 AromaticContact CE2-CE2 3.58Å; F370-F372 HydrophobicContact CE2-CE2 3.58Å; F370-F372 HydrophobicContact CE2-CZ 4.41Å
371A91Very high86.3Confident1 Ų130 Ų301%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-140.6164.3169.900000109.8V235 L236 I356 P358V235-A371 CarbonylContact C-O 3.49Å; V235-A371 WeakPolarHBondContact CA-O 3.41Å; L236-A371 HydrophobicContact CB-CB 4.31Å; L236-A371 PolarHBondContact N-O 3.43Å; L236-A371 PolarHBondContact O-N 2.91Å; I356-A371 HydrophobicContact CG2-CB 3.4Å; I356-A371 VanDerWaalsContact CG2-CB 3.4Å; P358-A371 HydrophobicContact CB-CB 3.95Å
372F87.9Confident86.7Confident5 Ų530.2 Ų30.22%0.02217%0.168CC..EExtended strand (participates in β ladder)trans-107.6133.3172.2-68.5-82.6000109.6F5 L233 K234 V235 F323 Q324 F370 L401F5-F372 AromaticContact CE2-CE2 3.79Å; F5-F372 HydrophobicContact CE2-CE2 3.79Å; F5-F372 HydrophobicContact CE2-CZ 4.1Å; F5-F372 AromaticContact CZ-CE2 3.72Å; F5-F372 HydrophobicContact CZ-CE2 3.72Å; F5-F372 HydrophobicContact CZ-CZ 4.42Å; L233-F372 HydrophobicContact CB-CD1 3.72Å; L233-F372 HydrophobicContact CB-CE1 3.8Å; L233-F372 HydrophobicContact CD1-CD1 4.06Å; L233-F372 HydrophobicContact CD1-CE1 3.86Å; L233-F372 HydrophobicContact CD2-CD1 4.18Å; L233-F372 HydrophobicContact CG-CD1 4.2Å; L233-F372 HydrophobicContact CG-CE1 4.35Å; K234-F372 WeakPolarHBondContact O-CA 3.17Å; V235-F372 HydrophobicContact CG2-CD1 4.04Å; V235-F372 HydrophobicContact CG2-CE1 3.45Å; V235-F372 VanDerWaalsContact CG2-CE1 3.45Å; V235-F372 HydrophobicContact CG2-CZ 4.08Å; F323-F372 HydrophobicContact CD1-CD1 4.48Å; F323-F372 AromaticContact CD1-CD2 3.5Å; F323-F372 HydrophobicContact CD1-CD2 3.5Å; F323-F372 VanDerWaalsContact CD1-CD2 3.5Å; F323-F372 AromaticContact CD1-CE2 3.68Å; F323-F372 HydrophobicContact CD1-CE2 3.68Å; F323-F372 AromaticContact CD1-CG 3.95Å; F323-F372 HydrophobicContact CD1-CG 3.95Å; F323-F372 HydrophobicContact CD1-CZ 4.21Å; F323-F372 AromaticContact CE1-CD2 3.57Å; F323-F372 HydrophobicContact CE1-CD2 3.57Å; F323-F372 HydrophobicContact CE1-CE1 4.21Å; F323-F372 AromaticContact CE1-CE2 3.2Å; F323-F372 HydrophobicContact CE1-CE2 3.2Å; F323-F372 HydrophobicContact CE1-CG 4.26Å; F323-F372 AromaticContact CE1-CZ 3.54Å; F323-F372 HydrophobicContact CE1-CZ 3.54Å; F323-F372 HydrophobicContact CZ-CE2 4.31Å; Q324-F372 HydrophobicContact CG-CB 4.04Å; Q324-F372 PolarHBondContact NE2-O 3.39Å; F370-F372 HydrophobicContact CD2-CD2 4.29Å; F370-F372 AromaticContact CD2-CE2 3.58Å; F370-F372 HydrophobicContact CD2-CE2 3.58Å; F370-F372 HydrophobicContact CD2-CZ 4.24Å; F370-F372 HydrophobicContact CE2-CD2 4.38Å; F370-F372 AromaticContact CE2-CE2 3.58Å; F370-F372 HydrophobicContact CE2-CE2 3.58Å; F370-F372 HydrophobicContact CE2-CZ 4.41Å; F372-L401 HydrophobicContact CE1-CD2 4.05Å; F372-L401 HydrophobicContact CZ-CD2 4.48Å
373L87.6Confident87.5Confident1 Ų134.2 Ų34.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-88.6151.4173.9-55.3-179.2000109.5K234 L236 N320 I356 I382K234-L373 HydrophobicContact CB-CB 3.94Å; K234-L373 HydrophobicContact CB-CD1 4.44Å; K234-L373 HydrophobicContact CB-CG 4.47Å; K234-L373 PolarHBondContact O-N 2.87Å; L236-L373 HydrophobicContact CB-CD2 4.23Å; L236-L373 HydrophobicContact CB-CG 4.39Å; L236-L373 HydrophobicContact CD2-CD2 4.4Å; N320-L373 PolarHBondContact ND2-O 2.78Å; N320-L373 PolarHBondContact OD1-O 3.37Å; I356-L373 HydrophobicContact CD1-CD2 3.36Å; I356-L373 HydrophobicContact CG1-CD2 3.86Å; I356-L373 HydrophobicContact CG2-CD2 4.3Å; L373-I382 HydrophobicContact CD1-CD1 3.98Å; L373-I382 HydrophobicContact CD1-CG1 3.97Å
374K82.8Confident88.5Confident109 Ų10938.4 Ų38.447%0.47421%0.209SC..  trans-62.5143.7168.1-63177.6-177.2175.10108.3N376 T377K374-N376 PolarHBondContact O-N 2.86Å; K374-T377 PolarHBondContact N-OG1 3.46Å; K374-T377 WeakPolarHBondContact O-CB 3.5Å; K374-T377 PolarHBondContact O-N 2.87Å; K374-T377 PolarHBondContact O-OG1 3.34Å; K374-T377 VanDerWaalsContact O-OG1 3.08Å
375P75.3Confident89.1Confident31 Ų3138.5 Ų38.520%0.20121%0.209CC..THydrogen-bonded Turntrans-52.8-34.7-177.7-29.235.7000113.7K234K234-P375 PolarHBondContact NZ-O 2.95Å
376N79Confident89.7Confident142 Ų14239.3 Ų39.376%0.75921%0.213SC*.THydrogen-bonded Turntrans-95.613.9-177.7-60.4-18.9000114.2K374 S378K374-N376 PolarHBondContact O-N 2.86Å; N376-S378 PolarHBondContact O-N 2.93Å
377T87.1Confident90.2Very high24 Ų2441.6 Ų41.615%0.14723%0.229CC..  trans-60.4121.8172.6-61.10000109.1K374 V381 I382K374-T377 PolarHBondContact N-OG1 3.46Å; K374-T377 WeakPolarHBondContact O-CB 3.5Å; K374-T377 PolarHBondContact O-N 2.87Å; K374-T377 PolarHBondContact O-OG1 3.34Å; K374-T377 VanDerWaalsContact O-OG1 3.08Å; T377-V381 HydrophobicContact CG2-CB 4.15Å; T377-V381 HydrophobicContact CG2-CG1 3.98Å; T377-I382 HydrophobicContact CG2-CD1 4.25Å; T377-I382 HydrophobicContact CG2-CG1 3.92Å
378S91.2Very high90.7Very high57 Ų5743.8 Ų43.840%0.39924%0.238SC..  trans-74.4152.8-176.167.90000112N376 T380 V381 I382N376-S378 PolarHBondContact O-N 2.93Å; S378-T380 PolarHBondContact O-N 3.22Å; S378-V381 PolarHBondContact O-N 2.89Å; S378-V381 VanDerWaalsContact O-N 3.1Å; S378-V381 WeakPolarHBondContact OG-CG2 3.42Å; S378-V381 PolarHBondContact OG-N 3.3Å; S378-I382 PolarHBondContact O-N 3Å; S378-I382 VanDerWaalsContact O-N 3.16Å
379Q92Very high91Very high109 Ų10943.8 Ų43.851%0.50924%0.239SC..Hα-helixtrans-58.7-36.5176.6-170.26045.600111.8V381 I382 D383Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-V381 PolarHBondContact O-N 3.45Å; Q379-I382 CarbonylContact O-C 3.59Å; Q379-I382 WeakPolarHBondContact O-CB 3.24Å; Q379-I382 PolarHBondContact O-N 3.19Å; Q379-I382 VanDerWaalsContact O-N 3.12Å; Q379-D383 PolarHBondContact NE2-OD1 3.35Å; Q379-D383 PolarHBondContact O-N 3.3Å
380T94.8Very high91.2Very high93 Ų9349.1 Ų49.157%0.57126%0.263SS*.Hα-helixtrans-58.3-41.7175.4-47.90000112.5S378 I382 D383 M384S378-T380 PolarHBondContact O-N 3.22Å; T380-I382 VanDerWaalsContact C-N 3.35Å; T380-D383 PolarHBondContact O-N 2.75Å; T380-M384 HydrophobicContact CG2-CE 4.46Å; T380-M384 VanDerWaalsContact O-CG 3.32Å; T380-M384 WeakPolarHBondContact O-CG 3.47Å; T380-M384 PolarHBondContact O-N 2.87Å
381V93.8Very high91.4Very high39 Ų3957.1 Ų57.124%0.23630%0.298CS..Hα-helixtrans-66.4-41.7176.7171.90000110.7Y354 T377 S378 Q379 D383 M384 I385Y354-V381 HydrophobicContact CD1-CG1 3.94Å; T377-V381 HydrophobicContact CG2-CB 4.15Å; T377-V381 HydrophobicContact CG2-CG1 3.98Å; S378-V381 PolarHBondContact O-N 2.89Å; S378-V381 VanDerWaalsContact O-N 3.1Å; S378-V381 WeakPolarHBondContact OG-CG2 3.42Å; S378-V381 PolarHBondContact OG-N 3.3Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-V381 PolarHBondContact O-N 3.45Å; V381-D383 PolarHBondContact O-N 3.46Å; V381-M384 HydrophobicContact CB-CE 4.34Å; V381-M384 HydrophobicContact CG2-CE 3.95Å; V381-M384 PolarHBondContact O-N 3.47Å; V381-I385 HydrophobicContact CG1-CD1 3.8Å; V381-I385 HydrophobicContact CG1-CG1 4.46Å; V381-I385 WeakPolarHBondContact O-CD1 3.35Å; V381-I385 VanDerWaalsContact O-CG1 3.25Å; V381-I385 WeakPolarHBondContact O-CG1 3.39Å; V381-I385 PolarHBondContact O-N 2.9Å
382I93.6Very high91.6Very high6 Ų659.5 Ų59.53%0.03131%0.31CS..Hα-helixtrans-62-42.6176.9-70.4164.4000111.5L373 T377 S378 Q379 T380 I385 T386 Q398L373-I382 HydrophobicContact CD1-CD1 3.98Å; L373-I382 HydrophobicContact CD1-CG1 3.97Å; T377-I382 HydrophobicContact CG2-CD1 4.25Å; T377-I382 HydrophobicContact CG2-CG1 3.92Å; S378-I382 PolarHBondContact O-N 3Å; S378-I382 VanDerWaalsContact O-N 3.16Å; Q379-I382 CarbonylContact O-C 3.59Å; Q379-I382 WeakPolarHBondContact O-CB 3.24Å; Q379-I382 PolarHBondContact O-N 3.19Å; Q379-I382 VanDerWaalsContact O-N 3.12Å; T380-I382 VanDerWaalsContact C-N 3.35Å; I382-I385 PolarHBondContact O-N 2.97Å; I382-T386 WeakPolarHBondContact O-CB 3.39Å; I382-T386 PolarHBondContact O-N 3.42Å; I382-T386 PolarHBondContact O-OG1 3.48Å; I382-Q398 VanDerWaalsContact CG2-CD 3.41Å
383D95.6Very high91.9Very high85 Ų8561.6 Ų61.646%0.45533%0.333SS..Hα-helixtrans-67.2-38.9178.6-62.7-21.4000111.2Q379 T380 V381 T386 S387Q379-D383 PolarHBondContact NE2-OD1 3.35Å; Q379-D383 PolarHBondContact O-N 3.3Å; T380-D383 PolarHBondContact O-N 2.75Å; V381-D383 PolarHBondContact O-N 3.46Å; D383-T386 PolarHBondContact O-N 3.32Å; D383-S387 WeakPolarHBondContact O-CB 3.18Å; D383-S387 PolarHBondContact O-N 3.46Å
384M96.7Very high92.2Very high92 Ų9261.9 Ų61.945%0.45333%0.334SS..Hα-helixtrans-61.3-49.3173-73.8-172.3-64.700111.6Y354 T380 V381 T386 S387 E388Y354-M384 HydrophobicContact CE1-CB 4.45Å; T380-M384 HydrophobicContact CG2-CE 4.46Å; T380-M384 VanDerWaalsContact O-CG 3.32Å; T380-M384 WeakPolarHBondContact O-CG 3.47Å; T380-M384 PolarHBondContact O-N 2.87Å; V381-M384 HydrophobicContact CB-CE 4.34Å; V381-M384 HydrophobicContact CG2-CE 3.95Å; V381-M384 PolarHBondContact O-N 3.47Å; M384-T386 VanDerWaalsContact C-N 3.31Å; M384-T386 PolarHBondContact O-N 3.17Å; M384-S387 PolarHBondContact O-N 2.93Å; M384-E388 PolarHBondContact O-N 3.49Å
385I95.8Very high92.6Very high1 Ų159 Ų591%0.00532%0.324CS..Hα-helixtrans-58.4-46.5176.5-67.2160.5000110.2L236 L351 Y354 I356 V381 I382 S387 E388 V389 L396L236-I385 HydrophobicContact CD2-CG2 4.22Å; L351-I385 HydrophobicContact CD2-CG2 3.5Å; Y354-I385 HydrophobicContact CD1-CD1 4.13Å; Y354-I385 HydrophobicContact CD1-CG1 3.79Å; Y354-I385 HydrophobicContact CD2-CD1 4.3Å; Y354-I385 HydrophobicContact CD2-CG1 3.63Å; Y354-I385 HydrophobicContact CE1-CG1 3.92Å; Y354-I385 HydrophobicContact CE2-CG1 3.76Å; Y354-I385 HydrophobicContact CG-CD1 3.9Å; Y354-I385 HydrophobicContact CG-CG1 3.63Å; I356-I385 HydrophobicContact CD1-CD1 3.4Å; I356-I385 VanDerWaalsContact CD1-CD1 3.4Å; V381-I385 HydrophobicContact CG1-CD1 3.8Å; V381-I385 HydrophobicContact CG1-CG1 4.46Å; V381-I385 WeakPolarHBondContact O-CD1 3.35Å; V381-I385 VanDerWaalsContact O-CG1 3.25Å; V381-I385 WeakPolarHBondContact O-CG1 3.39Å; V381-I385 PolarHBondContact O-N 2.9Å; I382-I385 PolarHBondContact O-N 2.97Å; I385-S387 VanDerWaalsContact C-N 3.35Å; I385-S387 PolarHBondContact O-N 3.1Å; I385-E388 PolarHBondContact O-N 3.39Å; I385-V389 HydrophobicContact CG2-CG2 4.08Å; I385-V389 WeakPolarHBondContact O-CB 3.42Å; I385-V389 VanDerWaalsContact O-CG2 3.27Å; I385-V389 WeakPolarHBondContact O-CG2 3.25Å; I385-V389 PolarHBondContact O-N 3.02Å; I385-L396 HydrophobicContact CG2-CD1 3.84Å
386T95.3Very high93.4Very high26 Ų2658.4 Ų58.416%0.1632%0.318CS..Hα-helixtrans-59-46.7179.7-57.50000111I382 D383 M384 E388 Q390 L396I382-T386 WeakPolarHBondContact O-CB 3.39Å; I382-T386 PolarHBondContact O-N 3.42Å; I382-T386 PolarHBondContact O-OG1 3.48Å; D383-T386 PolarHBondContact O-N 3.32Å; M384-T386 VanDerWaalsContact C-N 3.31Å; M384-T386 PolarHBondContact O-N 3.17Å; T386-E388 PolarHBondContact O-N 3.47Å; T386-Q390 HydrophobicContact CG2-CG 4.39Å; T386-Q390 VanDerWaalsContact O-CB 3.29Å; T386-Q390 WeakPolarHBondContact O-CB 3.36Å; T386-Q390 VanDerWaalsContact O-CG 3.24Å; T386-Q390 WeakPolarHBondContact O-CG 3.37Å; T386-Q390 PolarHBondContact O-N 2.86Å; T386-L396 HydrophobicContact CG2-CD2 4.38Å; T386-L396 WeakPolarHBondContact OG1-CD2 3.41Å
387S96.6Very high93.9Very high48 Ų4854.9 Ų54.934%0.33630%0.295SS..Hα-helixtrans-61.8-43.1177.4-171.90000112.3D383 M384 I385 K391D383-S387 WeakPolarHBondContact O-CB 3.18Å; D383-S387 PolarHBondContact O-N 3.46Å; M384-S387 PolarHBondContact O-N 2.93Å; I385-S387 VanDerWaalsContact C-N 3.35Å; I385-S387 PolarHBondContact O-N 3.1Å; S387-K391 WeakPolarHBondContact O-CB 3.46Å; S387-K391 WeakPolarHBondContact O-CD 3.41Å; S387-K391 WeakPolarHBondContact O-CG 3.25Å; S387-K391 PolarHBondContact O-N 3.16Å; S387-K391 WeakPolarHBondContact OG-CE 3.45Å
388E96.9Very high94.1Very high48 Ų4857.7 Ų57.722%0.22431%0.306CS..Hα-helixtrans-68-46.7-180-167.7173.3175.500111.7T350 R353 Y354 M384 I385 T386 Q390 K391 M392T350-E388 HydrophobicContact CG2-CG 3.93Å; R353-E388 IonicContact NH1-OE1 2.77Å; R353-E388 PolarHBondContact NH1-OE1 2.83Å; Y354-E388 PolarHBondContact OH-OE2 3.26Å; M384-E388 PolarHBondContact O-N 3.49Å; I385-E388 PolarHBondContact O-N 3.39Å; T386-E388 PolarHBondContact O-N 3.47Å; E388-Q390 VanDerWaalsContact C-N 3.35Å; E388-Q390 PolarHBondContact O-N 3Å; E388-K391 PolarHBondContact O-N 3.34Å; E388-M392 HydrophobicContact CG-SD 4.42Å; E388-M392 VanDerWaalsContact O-CG 3.3Å; E388-M392 WeakPolarHBondContact O-CG 3.43Å; E388-M392 PolarHBondContact O-N 3.5Å; E388-M392 VanDerWaalsContact O-N 3.16Å
389V95.2Very high93.8Very high1 Ų155.6 Ų55.61%0.00629%0.291CS..Hα-helixtrans-62-41.4178.4171.50000111.3V238 I385 M392 G393 Y394 L396V238-V389 HydrophobicContact CG1-CG1 3.68Å; I385-V389 HydrophobicContact CG2-CG2 4.08Å; I385-V389 WeakPolarHBondContact O-CB 3.42Å; I385-V389 VanDerWaalsContact O-CG2 3.27Å; I385-V389 WeakPolarHBondContact O-CG2 3.25Å; I385-V389 PolarHBondContact O-N 3.02Å; V389-M392 WeakPolarHBondContact O-CB 3.44Å; V389-M392 PolarHBondContact O-N 3.39Å; V389-G393 PolarHBondContact O-N 2.96Å; V389-Y394 HydrophobicContact CG1-CD2 4.38Å; V389-Y394 HydrophobicContact CG1-CG 4.5Å; V389-Y394 PolarHBondContact O-N 2.81Å; V389-Y394 VanDerWaalsContact O-N 3.14Å; V389-L396 HydrophobicContact CB-CD1 4.14Å; V389-L396 HydrophobicContact CG1-CB 4.11Å; V389-L396 HydrophobicContact CG1-CD1 4.16Å; V389-L396 HydrophobicContact CG2-CD1 4.09Å
390Q95.2Very high93.4Very high111 Ų11157.8 Ų57.852%0.51930%0.299SS..Hα-helixtrans-68.4-38.4176-74.2176.5-12.900112.9T386 E388 M392 G393 Y394T386-Q390 HydrophobicContact CG2-CG 4.39Å; T386-Q390 VanDerWaalsContact O-CB 3.29Å; T386-Q390 WeakPolarHBondContact O-CB 3.36Å; T386-Q390 VanDerWaalsContact O-CG 3.24Å; T386-Q390 WeakPolarHBondContact O-CG 3.37Å; T386-Q390 PolarHBondContact O-N 2.86Å; E388-Q390 VanDerWaalsContact C-N 3.35Å; E388-Q390 PolarHBondContact O-N 3Å; Q390-M392 PolarHBondContact O-N 3.12Å; Q390-G393 WeakPolarHBondContact O-CA 2.94Å; Q390-G393 PolarHBondContact O-N 3.34Å; Q390-Y394 WeakPolarHBondContact CA-O 3.19Å
391K96.7Very high92.8Very high171 Ų17155.2 Ų55.274%0.74328%0.282SS*.Hα-helixtrans-60.5-28.5173.6-78.2168.6-175.2170.80112.5S387 E388 G393S387-K391 WeakPolarHBondContact O-CB 3.46Å; S387-K391 WeakPolarHBondContact O-CD 3.41Å; S387-K391 WeakPolarHBondContact O-CG 3.25Å; S387-K391 PolarHBondContact O-N 3.16Å; S387-K391 WeakPolarHBondContact OG-CE 3.45Å; E388-K391 PolarHBondContact O-N 3.34Å; K391-G393 PolarHBondContact O-N 2.82Å
392M95.2Very high92.1Very high51 Ų5153.6 Ų53.625%0.25127%0.272SS..THydrogen-bonded Turntrans-80.5-3174.7-61.4165.376.400113.3Q346 T350 E388 V389 Q390 Y394Q346-M392 HydrophobicContact CB-CE 4.23Å; Q346-M392 HydrophobicContact CG-CE 3.35Å; T350-M392 HydrophobicContact CG2-SD 4.17Å; T350-M392 WeakPolarHBondContact OG1-CE 3.13Å; T350-M392 PolarHBondContact OG1-SD 2.99Å; E388-M392 HydrophobicContact CG-SD 4.42Å; E388-M392 VanDerWaalsContact O-CG 3.3Å; E388-M392 WeakPolarHBondContact O-CG 3.43Å; E388-M392 PolarHBondContact O-N 3.5Å; E388-M392 VanDerWaalsContact O-N 3.16Å; V389-M392 WeakPolarHBondContact O-CB 3.44Å; V389-M392 PolarHBondContact O-N 3.39Å; Q390-M392 PolarHBondContact O-N 3.12Å; M392-Y394 HydrophobicContact CB-CD2 3.69Å; M392-Y394 HydrophobicContact CB-CE2 3.66Å; M392-Y394 HydrophobicContact CE-CE2 3.83Å; M392-Y394 HydrophobicContact SD-CE2 4.42Å
393G94.4Very high91.5Very high49 Ų4955.5 Ų55.551%0.50529%0.293SS..THydrogen-bonded Turntrans85.619.8179.200000114.6V389 Q390 K391V389-G393 PolarHBondContact O-N 2.96Å; Q390-G393 WeakPolarHBondContact O-CA 2.94Å; Q390-G393 PolarHBondContact O-N 3.34Å; K391-G393 PolarHBondContact O-N 2.82Å
394Y94.1Very high91.2Very high7 Ų753.9 Ų53.93%0.02729%0.285CS..  trans-104.5154.2177.6-54-47.8000111.6N239 S240 K343 Q346 I347 V389 Q390 M392N239-Y394 WeakPolarHBondContact O-CB 3.49Å; S240-Y394 VanDerWaalsContact O-CD1 3.27Å; S240-Y394 WeakPolarHBondContact O-CD1 3.44Å; S240-Y394 VanDerWaalsContact O-CE1 3.23Å; S240-Y394 WeakPolarHBondContact O-CE1 3.4Å; K343-Y394 HydrophobicContact CB-CE1 4.29Å; K343-Y394 WeakPolarHBondContact CB-OH 3.03Å; K343-Y394 HydrophobicContact CD-CE1 3.86Å; K343-Y394 WeakPolarHBondContact CD-OH 3.48Å; Q346-Y394 PolarHBondContact OE1-OH 3.04Å; I347-Y394 HydrophobicContact CD1-CD1 4.18Å; I347-Y394 HydrophobicContact CD1-CD2 3.88Å; I347-Y394 HydrophobicContact CD1-CE1 4.22Å; I347-Y394 HydrophobicContact CD1-CE2 3.92Å; I347-Y394 HydrophobicContact CD1-CG 4.01Å; I347-Y394 HydrophobicContact CG1-CD2 3.54Å; I347-Y394 HydrophobicContact CG1-CE2 3.43Å; I347-Y394 VanDerWaalsContact CG1-CE2 3.43Å; I347-Y394 HydrophobicContact CG1-CG 4.19Å; V389-Y394 HydrophobicContact CG1-CD2 4.38Å; V389-Y394 HydrophobicContact CG1-CG 4.5Å; V389-Y394 PolarHBondContact O-N 2.81Å; V389-Y394 VanDerWaalsContact O-N 3.14Å; Q390-Y394 WeakPolarHBondContact CA-O 3.19Å; M392-Y394 HydrophobicContact CB-CD2 3.69Å; M392-Y394 HydrophobicContact CB-CE2 3.66Å; M392-Y394 HydrophobicContact CE-CE2 3.83Å; M392-Y394 HydrophobicContact SD-CE2 4.42Å
395D90.9Very high91Very high49 Ų4949.8 Ų49.826%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-97.6144.3174.7-61.1-32.2000110.2V238 N239 K241 W397V238-D395 CarbonylContact C-O 3.42Å; V238-D395 VanDerWaalsContact CA-O 3.31Å; V238-D395 WeakPolarHBondContact CA-O 3.29Å; N239-D395 HydrophobicContact CB-CB 4.34Å; N239-D395 PolarHBondContact N-O 3.04Å; N239-D395 PolarHBondContact O-N 2.8Å; K241-D395 VanDerWaalsContact CD-OD2 3.3Å; K241-D395 WeakPolarHBondContact CD-OD2 3.48Å; K241-D395 WeakPolarHBondContact CE-OD2 3.36Å; K241-D395 IonicContact NZ-OD1 3.69Å; K241-D395 IonicContact NZ-OD2 2.87Å; K241-D395 PolarHBondContact NZ-OD2 3.45Å; D395-W397 HydrophobicContact CB-CE3 4.39Å; D395-W397 HydrophobicContact CB-CH2 3.17Å; D395-W397 HydrophobicContact CB-CZ2 3.68Å; D395-W397 HydrophobicContact CB-CZ3 3.57Å
396L92.4Very high90.9Very high17 Ų1750.3 Ų50.39%0.08927%0.269CS..EExtended strand (participates in β ladder)trans-133.2135.2-179.7-177.1153.1000111L236 L237 V238 I385 T386 V389 Q398L236-L396 HydrophobicContact CD1-CD1 3.81Å; L236-L396 HydrophobicContact CD1-CD2 3.61Å; L236-L396 HydrophobicContact CD1-CG 3.81Å; L236-L396 HydrophobicContact CD2-CD1 4.1Å; L236-L396 HydrophobicContact CG-CD1 4.09Å; L236-L396 HydrophobicContact CG-CG 4.25Å; L237-L396 CarbonylContact O-C 3.58Å; L237-L396 VanDerWaalsContact O-CA 3.31Å; L237-L396 WeakPolarHBondContact O-CA 3.25Å; V238-L396 HydrophobicContact CG2-CD1 4.03Å; V238-L396 HydrophobicContact CG2-CG 4.25Å; I385-L396 HydrophobicContact CG2-CD1 3.84Å; T386-L396 HydrophobicContact CG2-CD2 4.38Å; T386-L396 WeakPolarHBondContact OG1-CD2 3.41Å; V389-L396 HydrophobicContact CB-CD1 4.14Å; V389-L396 HydrophobicContact CG1-CB 4.11Å; V389-L396 HydrophobicContact CG1-CD1 4.16Å; V389-L396 HydrophobicContact CG2-CD1 4.09Å; L396-Q398 HydrophobicContact CD2-CG 4.46Å
397W89.7Confident90.9Very high69 Ų6950.5 Ų50.526%0.26127%0.27SS..EExtended strand (participates in β ladder)trans-131.2158.7174-57.9-89.7000110.8L22 L138 L237 N239 D395 P399L22-W397 HydrophobicContact CD1-CB 4.4Å; L138-W397 HydrophobicContact CD2-CD2 3.78Å; L138-W397 HydrophobicContact CD2-CE3 4.1Å; L138-W397 HydrophobicContact CD2-CG 4.36Å; L138-W397 HydrophobicContact CD2-CH2 3.93Å; L138-W397 HydrophobicContact CD2-CZ2 3.62Å; L138-W397 HydrophobicContact CD2-CZ3 4.17Å; L237-W397 HydrophobicContact CB-CB 4.43Å; L237-W397 HydrophobicContact CD2-CE3 4.03Å; L237-W397 HydrophobicContact CG-CE3 4.18Å; L237-W397 PolarHBondContact N-O 3.1Å; L237-W397 PolarHBondContact O-N 3.06Å; N239-W397 HydrophobicContact CB-CH2 3.91Å; N239-W397 HydrophobicContact CB-CZ3 3.52Å; D395-W397 HydrophobicContact CB-CE3 4.39Å; D395-W397 HydrophobicContact CB-CH2 3.17Å; D395-W397 HydrophobicContact CB-CZ2 3.68Å; D395-W397 HydrophobicContact CB-CZ3 3.57Å; W397-P399 VanDerWaalsContact C-CD 3.47Å; W397-P399 WeakPolarHBondContact O-CD 3.41Å
398Q89.4Confident90.8Very high83 Ų8350.1 Ų50.139%0.38827%0.267SS..  trans-123.572.9171.6-72.716879.400109.8V235 L236 I382 L396V235-Q398 VanDerWaalsContact O-CA 3.31Å; V235-Q398 WeakPolarHBondContact O-CA 3.25Å; L236-Q398 HydrophobicContact CD1-CG 3.68Å; I382-Q398 VanDerWaalsContact CG2-CD 3.41Å; L396-Q398 HydrophobicContact CD2-CG 4.46Å
399P85.5Confident90.4Very high12 Ų1251.2 Ų51.28%0.07827%0.273CS..PPolyproline II helixtrans-69.6153.1177.931.2-34.3000110.9I20 L22 V235 L237 W397I20-P399 HydrophobicContact CB-CB 3.87Å; I20-P399 HydrophobicContact CB-CG 4.04Å; I20-P399 HydrophobicContact CD1-CG 4.33Å; I20-P399 HydrophobicContact CG2-CB 4.21Å; I20-P399 HydrophobicContact CG2-CG 3.96Å; L22-P399 HydrophobicContact CD1-CB 3.89Å; L22-P399 HydrophobicContact CD1-CG 4.17Å; L22-P399 HydrophobicContact CG-CB 3.94Å; V235-P399 HydrophobicContact CB-CG 4.36Å; V235-P399 HydrophobicContact CG1-CG 4.12Å; L237-P399 HydrophobicContact CB-CG 4.2Å; W397-P399 VanDerWaalsContact C-CD 3.47Å; W397-P399 WeakPolarHBondContact O-CD 3.41Å
400K83Confident89.4Confident156 Ų15657.1 Ų57.168%0.67831%0.309SS*.BIsolated β-bridgetrans-69.6137.5164.8-66.2-177.5179.2179.90109.2I20 D21I20-K400 WeakPolarHBondContact CA-O 3.37Å; D21-K400 HydrophobicContact CB-CB 4.34Å; D21-K400 PolarHBondContact N-O 2.74Å
401L83.7Confident88.4Confident39 Ų3955.1 Ų55.120%0.20431%0.311CS..BIsolated β-bridgetrans-78.4138.4167.9-173.567.8000109.6V215 L233 V235 F372V215-L401 HydrophobicContact CG2-CD1 4.26Å; V215-L401 HydrophobicContact CG2-CD2 4.21Å; V215-L401 HydrophobicContact CG2-CG 4.08Å; L233-L401 HydrophobicContact CB-CD2 4.03Å; L233-L401 HydrophobicContact CD1-CD2 3.92Å; V235-L401 HydrophobicContact CG2-CB 3.76Å; V235-L401 HydrophobicContact CG2-CD1 4.25Å; V235-L401 HydrophobicContact CG2-CG 4.44Å; F372-L401 HydrophobicContact CE1-CD2 4.05Å; F372-L401 HydrophobicContact CZ-CD2 4.48Å
402G78Confident87.2Confident4 Ų450.6 Ų50.64%0.04130%0.298CS..SBendtrans79.7-146.6-177.800000112.5C19C19-G402 WeakPolarHBondContact O-CA 3.43Å; C19-G402 PolarHBondContact O-N 2.88Å
403G81.9Confident85.9Confident46 Ų4649.6 Ų49.647%0.47430%0.295SS..  trans92.3179.3-173.400000113.2G213 G214G213-G403 VanDerWaalsContact CA-O 3.32Å; G213-G403 WeakPolarHBondContact CA-O 3.16Å; G214-G403 PolarHBondContact N-O 2.04Å
404N88.8Confident84.7Confident52 Ų5253 Ų5328%0.27830%0.298SS..BIsolated β-bridgetrans-61.9149.1-173.7-62-53.3000112.1R23 V407R23-N404 PolarHBondContact NH1-O 3.37Å; R23-N404 PolarHBondContact NH2-O 3.08Å; N404-V407 HydrophobicContact CB-CG1 3.68Å
405G91.9Very high83.4Confident5 Ų557.3 Ų57.35%0.05232%0.318CS..SBendtrans-75.2-128.4168.600000112R23 C210 T211 Y212 G213 V407R23-G405 PolarHBondContact NH1-O 3.27Å; C210-G405 CarbonylContact O-C 3.5Å; C210-G405 WeakPolarHBondContact O-CA 3.47Å; T211-G405 WeakPolarHBondContact O-CA 3.48Å; Y212-G405 VanDerWaalsContact C-CA 3.49Å; Y212-G405 PolarHBondContact O-N 3.43Å; G213-G405 VanDerWaalsContact CA-CA 3.46Å; G213-G405 VanDerWaalsContact CA-N 3.32Å; G405-V407 PolarHBondContact O-N 2.8Å
406V95.3Very high82.2Confident13 Ų1355.1 Ų55.18%0.07931%0.307CS..SBendtrans-71.2131.3176.969.90000110.3V152 A156 T178 W179 L184 I187 C210 T211V152-V406 HydrophobicContact CG1-CB 3.6Å; V152-V406 HydrophobicContact CG1-CG1 4.33Å; V152-V406 HydrophobicContact CG1-CG2 3.7Å; A156-V406 HydrophobicContact CB-CG2 3.91Å; T178-V406 WeakPolarHBondContact CB-O 3.41Å; T178-V406 PolarHBondContact OG1-O 3.46Å; W179-V406 HydrophobicContact CE3-CG1 3.94Å; W179-V406 HydrophobicContact CZ3-CB 4.47Å; W179-V406 HydrophobicContact CZ3-CG1 3.94Å; W179-V406 HydrophobicContact CZ3-CG2 3.92Å; L184-V406 HydrophobicContact CD2-CG1 3.48Å; L184-V406 VanDerWaalsContact CD2-CG1 3.48Å; I187-V406 HydrophobicContact CD1-CG1 4.18Å; C210-V406 PolarHBondContact O-N 3.37Å; T211-V406 HydrophobicContact CG2-CG1 4.31Å; T211-V406 PolarHBondContact O-N 3.34Å
407V94.6Very high80.8Confident30 Ų3060 Ų6018%0.18232%0.324CS..  trans-138.2153.2179.2-61.40000110T172 A176 Y177 N404 G405T172-V407 HydrophobicContact CG2-CG1 3.93Å; A176-V407 HydrophobicContact CB-CB 3.92Å; A176-V407 HydrophobicContact CB-CG2 4.1Å; Y177-V407 CarbonylContact O-C 3.47Å; Y177-V407 WeakPolarHBondContact O-CA 3.44Å; N404-V407 HydrophobicContact CB-CG1 3.68Å; G405-V407 PolarHBondContact O-N 2.8Å
408S93.7Very high79.4Confident39 Ų3960.8 Ų60.827%0.27333%0.332SS..BIsolated β-bridgetrans-112.5133.9171.6-177.40000109.7A176 Y177A176-S408 WeakPolarHBondContact CA-O 3.45Å; Y177-S408 PolarHBondContact N-O 2.95Å; Y177-S408 PolarHBondContact O-N 2.78Å
409H88.3Confident77.9Confident72 Ų7260.6 Ų60.633%0.33333%0.331SS..  trans-102.3140.7174.5-59.2-91.2000109.7A411 P413H409-A411 VanDerWaalsContact C-N 3.33Å; H409-A411 VanDerWaalsContact CB-O 3.25Å; H409-A411 WeakPolarHBondContact CB-O 3.39Å; H409-P413 HydrophobicContact CB-CG 4.16Å
410T75.8Confident76.6Confident125 Ų12563.2 Ų63.277%0.76735%0.345SS*.SBendtrans-76-24.5176.152.50000112.7Y177Y177-T410 HydrophobicContact CE2-CG2 4.44Å
411A73.9Confident75.2Confident69 Ų6961.8 Ų61.857%0.5734%0.339SS*.SBendtrans-131155.7173.900000109.9H409 P413H409-A411 VanDerWaalsContact C-N 3.33Å; H409-A411 VanDerWaalsContact CB-O 3.25Å; H409-A411 WeakPolarHBondContact CB-O 3.39Å; A411-P413 VanDerWaalsContact O-CD 3.29Å; A411-P413 WeakPolarHBondContact O-CD 3.32Å
412V71.7Confident73.4Confident76 Ų7667.2 Ų67.246%0.46136%0.357SS..  trans-59.1120.5174.9-179.70000108.7V416V412-V416 HydrophobicContact CG1-CB 3.88Å; V412-V416 HydrophobicContact CG1-CG1 3.94Å
413P67.7Low71.8Confident29 Ų2970.2 Ų70.219%0.18838%0.382CS..  trans-56.4143.4178.8-25.735000111.3Y25 H409 A411 E415 V416 R417Y25-P413 HydrophobicContact CE1-CG 4.2Å; H409-P413 HydrophobicContact CB-CG 4.16Å; A411-P413 VanDerWaalsContact O-CD 3.29Å; A411-P413 WeakPolarHBondContact O-CD 3.32Å; P413-E415 PolarHBondContact O-N 3.46Å; P413-V416 HydrophobicContact CB-CG2 4.22Å; P413-V416 HydrophobicContact CG-CG2 4.37Å; P413-V416 WeakPolarHBondContact O-CB 3.44Å; P413-V416 PolarHBondContact O-N 3.48Å; P413-R417 PolarHBondContact O-N 2.78Å
414E69.3Low70Confident122 Ų12276.5 Ų76.557%0.5740%0.396SS*.Hα-helixtrans-58-35.4-175.9-177.9152.1-132.800112.7V416 R417 L418E414-V416 VanDerWaalsContact C-N 3.33Å; E414-V416 PolarHBondContact O-N 3.48Å; E414-R417 WeakPolarHBondContact O-CB 3.39Å; E414-R417 PolarHBondContact O-N 2.65Å; E414-R417 VanDerWaalsContact O-N 3.16Å; E414-R417 IonicContact OE1-CZ 3.88Å; E414-R417 IonicContact OE1-NH2 2.66Å; E414-R417 PolarHBondContact OE1-NH2 3Å; E414-L418 HydrophobicContact CG-CD1 4.45Å; E414-L418 WeakPolarHBondContact O-CG 3.47Å; E414-L418 PolarHBondContact O-N 3.08Å
415E65.6Low67.5Low97 Ų9783.8 Ų83.845%0.45342%0.419SS..Hα-helixtrans-56.4-44.6174.4-58.8-177.2-164.200112.5K137 P413 L418 Q419K137-E415 IonicContact NZ-OE2 3.28Å; K137-E415 PolarHBondContact NZ-OE2 2.95Å; P413-E415 PolarHBondContact O-N 3.46Å; E415-L418 PolarHBondContact O-N 3.15Å; E415-Q419 PolarHBondContact O-N 2.98Å
416V66.1Low64.7Low3 Ų392.8 Ų92.82%0.01845%0.453CS..Hα-helixtrans-70.1-38.7178.4-177.30000110.1Y25 V412 P413 E414 L418 Q419 L420Y25-V416 HydrophobicContact CD1-CG2 3.61Å; Y25-V416 HydrophobicContact CD2-CG2 3.53Å; Y25-V416 HydrophobicContact CE1-CG2 3.59Å; Y25-V416 HydrophobicContact CE2-CG2 3.49Å; Y25-V416 VanDerWaalsContact CE2-CG2 3.49Å; Y25-V416 HydrophobicContact CG-CG2 3.56Å; V412-V416 HydrophobicContact CG1-CB 3.88Å; V412-V416 HydrophobicContact CG1-CG1 3.94Å; P413-V416 HydrophobicContact CB-CG2 4.22Å; P413-V416 HydrophobicContact CG-CG2 4.37Å; P413-V416 WeakPolarHBondContact O-CB 3.44Å; P413-V416 PolarHBondContact O-N 3.48Å; E414-V416 VanDerWaalsContact C-N 3.33Å; E414-V416 PolarHBondContact O-N 3.48Å; V416-L418 VanDerWaalsContact C-N 3.29Å; V416-L418 PolarHBondContact O-N 3.5Å; V416-Q419 PolarHBondContact O-N 3.04Å; V416-L420 HydrophobicContact CG1-CD1 4Å; V416-L420 HydrophobicContact CG1-CG 4.31Å; V416-L420 WeakPolarHBondContact O-CG 3.24Å; V416-L420 PolarHBondContact O-N 3.23Å
417R64.1Low61.8Low120 Ų12097.7 Ų97.745%0.45351%0.506SS..Hα-helixtrans-61.1-38.6177.2-16917971.1157.6-3.2111.8P413 E414 K421P413-R417 PolarHBondContact O-N 2.78Å; E414-R417 WeakPolarHBondContact O-CB 3.39Å; E414-R417 PolarHBondContact O-N 2.65Å; E414-R417 VanDerWaalsContact O-N 3.16Å; E414-R417 IonicContact OE1-CZ 3.88Å; E414-R417 IonicContact OE1-NH2 2.66Å; E414-R417 PolarHBondContact OE1-NH2 3Å; R417-K421 WeakPolarHBondContact O-CG 3.1Å; R417-K421 PolarHBondContact O-N 2.85Å; R417-K421 VanDerWaalsContact O-N 3.17Å
418L58.9Low60.2Low84 Ų84101.1 Ų101.144%0.4452%0.523SS..Hα-helixtrans-66.8-47.7175.6-71.2169.3000111E414 E415 V416 L420 K421 Y422E414-L418 HydrophobicContact CG-CD1 4.45Å; E414-L418 WeakPolarHBondContact O-CG 3.47Å; E414-L418 PolarHBondContact O-N 3.08Å; E415-L418 PolarHBondContact O-N 3.15Å; V416-L418 VanDerWaalsContact C-N 3.29Å; V416-L418 PolarHBondContact O-N 3.5Å; L418-L420 PolarHBondContact O-N 3.25Å; L418-K421 PolarHBondContact O-N 3.18Å; L418-K421 VanDerWaalsContact O-N 3.11Å; L418-Y422 WeakPolarHBondContact O-CD2 3.24Å; L418-Y422 PolarHBondContact O-N 3.1Å
419Q58.3Low58.4Low79 Ų79104.3 Ų104.337%0.36954%0.536SS..Hα-helixtrans-57.4-45.2176.8-73.1179.8-34.300112.5E415 V416 K421 Y422 A423E415-Q419 PolarHBondContact O-N 2.98Å; V416-Q419 PolarHBondContact O-N 3.04Å; Q419-K421 VanDerWaalsContact C-N 3.3Å; Q419-K421 PolarHBondContact O-N 3.38Å; Q419-Y422 PolarHBondContact O-N 2.79Å; Q419-A423 PolarHBondContact O-N 2.96Å
420L58.6Low56.8Low68 Ų68106.1 Ų106.136%0.35655%0.547SS..Hα-helixtrans-64.5-31.6177.3-69.8172.3000113V416 L418 K424V416-L420 HydrophobicContact CG1-CD1 4Å; V416-L420 HydrophobicContact CG1-CG 4.31Å; V416-L420 WeakPolarHBondContact O-CG 3.24Å; V416-L420 PolarHBondContact O-N 3.23Å; L418-L420 PolarHBondContact O-N 3.25Å; L420-K424 PolarHBondContact O-N 2.8Å
421K53.4Low55.7Low126 Ų126105 Ų10555%0.54853%0.534SS..Hα-helixtrans-71.6-39.2174.4-80.2-176.9178.2-176.70112.2R417 L418 Q419 K424 R425R417-K421 WeakPolarHBondContact O-CG 3.1Å; R417-K421 PolarHBondContact O-N 2.85Å; R417-K421 VanDerWaalsContact O-N 3.17Å; L418-K421 PolarHBondContact O-N 3.18Å; L418-K421 VanDerWaalsContact O-N 3.11Å; Q419-K421 VanDerWaalsContact C-N 3.3Å; Q419-K421 PolarHBondContact O-N 3.38Å; K421-K424 PolarHBondContact O-N 3.08Å; K421-R425 PolarHBondContact O-N 3.44Å
422Y44.9Very low54.5Low153 Ų153107.3 Ų107.360%0.653%0.532SS*.Hα-helixtrans-65.4-43176.4-81.6-76.1000111.5L418 Q419 K424 R425 Y426L418-Y422 WeakPolarHBondContact O-CD2 3.24Å; L418-Y422 PolarHBondContact O-N 3.1Å; Q419-Y422 PolarHBondContact O-N 2.79Å; Y422-K424 VanDerWaalsContact C-N 3.31Å; Y422-K424 PolarHBondContact O-N 3.29Å; Y422-R425 PolarHBondContact O-N 2.78Å; Y422-R425 VanDerWaalsContact O-N 3.1Å; Y422-Y426 HydrophobicContact CD1-CE2 4.26Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.21Å; Y422-Y426 PolarHBondContact O-N 2.94Å
423A45.6Very low53.4Low67 Ų67109.3 Ų109.355%0.55454%0.537SS*.Hα-helixtrans-58.7-40.117600000112.5Q419 R425 G427Q419-A423 PolarHBondContact O-N 2.96Å; A423-R425 VanDerWaalsContact C-N 3.3Å; A423-R425 PolarHBondContact O-N 2.77Å; A423-G427 PolarHBondContact O-N 3.29Å
424K44.2Very low52.3Low177 Ų177115.1 Ų115.177%0.7756%0.561SS**Hα-helixtrans-72.1-15.2176.9-75.6-173.2178.8-173.10115.3L420 K421 Y422L420-K424 PolarHBondContact O-N 2.8Å; K421-K424 PolarHBondContact O-N 3.08Å; Y422-K424 VanDerWaalsContact C-N 3.31Å; Y422-K424 PolarHBondContact O-N 3.29Å
425R34.7Very low51Low205 Ų205114.5 Ų114.577%0.77456%0.561SS**Hα-helixtrans-93.3-16.3-178.5-121.6-179.5-176.2177.4-0.4112.9K421 Y422 A423K421-R425 PolarHBondContact O-N 3.44Å; Y422-R425 PolarHBondContact O-N 2.78Å; Y422-R425 VanDerWaalsContact O-N 3.1Å; A423-R425 VanDerWaalsContact C-N 3.3Å; A423-R425 PolarHBondContact O-N 2.77Å
426Y34.9Very low49.8Very low194 Ų194116 Ų11676%0.76157%0.57SS**Hα-helixtrans-131.8-2.2-173.3-65.2-75.5000114.7Y422Y422-Y426 HydrophobicContact CD1-CE2 4.26Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.21Å; Y422-Y426 PolarHBondContact O-N 2.94Å
427G34.4Very low48.4Very low116 Ų116126.3 Ų126.3100%1.19662%0.62SS**  trans-108.20160.900000109.2A423A423-G427 PolarHBondContact O-N 3.29Å

Retrieved 427 of 427 residues in 201.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).