A0A087XU59_POEFO Loading...

Ventricular zone expressed PH domain-containing 1

AlphaFold DB , UniProt , Accession A0A087XU59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 833 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.3Confident86.2Confident49 Ų4958.5 Ų58.524%0.24131%0.305CS..  01490-179.6-177.9-57.100110.5F5 S6 E34 A35 Q38M1-F5 HydrophobicContact CG-CB 3.57Å; M1-F5 VanDerWaalsContact SD-C 3.57Å; M1-F5 HydrophobicContact SD-CB 3.66Å; M1-S6 WeakPolarHBondContact CG-OG 3.14Å; M1-S6 WeakPolarHBondContact SD-CA 3.23Å; M1-S6 PolarHBondContact SD-N 2.98Å; M1-S6 PolarHBondContact SD-OG 3.23Å; M1-E34 WeakPolarHBondContact CA-OE2 3.3Å; M1-E34 HydrophobicContact CB-CB 4.39Å; M1-E34 VanDerWaalsContact CB-CD 3.42Å; M1-E34 HydrophobicContact CB-CG 4.31Å; M1-E34 VanDerWaalsContact CB-OE1 3.27Å; M1-E34 WeakPolarHBondContact CB-OE1 3.37Å; M1-E34 WeakPolarHBondContact CB-OE2 3.39Å; M1-E34 HydrophobicContact CE-CB 3.92Å; M1-E34 HydrophobicContact CE-CG 3.74Å; M1-E34 WeakPolarHBondContact CE-O 3.4Å; M1-E34 PolarHBondContact N-OE2 3.09Å; M1-A35 VanDerWaalsContact CE-CA 3.49Å; M1-A35 HydrophobicContact CE-CB 4Å; M1-Q38 HydrophobicContact CE-CB 4.41Å; M1-Q38 HydrophobicContact CE-CG 3.97Å; M1-Q38 VanDerWaalsContact CE-NE2 3.26Å
2H87.3Confident86.3Confident54 Ų5461.3 Ų61.325%0.2531%0.308CS..  trans-73.6144.3174.3179.9-109000112.4L4 F5 S6 L23 I28H2-L4 VanDerWaalsContact C-N 3.28Å; H2-L4 PolarHBondContact O-N 3.15Å; H2-L4 VanDerWaalsContact O-N 3.1Å; H2-F5 PolarHBondContact O-N 2.54Å; H2-S6 PolarHBondContact O-N 3Å; H2-S6 VanDerWaalsContact O-N 3.09Å; H2-S6 PolarHBondContact O-OG 3.15Å; H2-L23 VanDerWaalsContact ND1-CD1 3.25Å; H2-L23 WeakPolarHBondContact ND1-CD1 3.43Å; H2-I28 HydrophobicContact CB-CG2 4.03Å
3Q86.1Confident86.2Confident161 Ų16158.7 Ų58.775%0.75230%0.296SS*.Hα-helixtrans-56.5-34-169.6-63.4-172.412.200114.6R7Q3-R7 WeakPolarHBondContact O-CB 3.29Å; Q3-R7 PolarHBondContact O-N 2.63Å; Q3-R7 VanDerWaalsContact O-N 3.1Å
4L86.5Confident86.2Confident29 Ų2958.8 Ų58.815%0.15230%0.298CS..Hα-helixtrans-71.3-37.1177.1-62.9-169000112.4H2 R7 V8 D19 L20 L23H2-L4 VanDerWaalsContact C-N 3.28Å; H2-L4 PolarHBondContact O-N 3.15Å; H2-L4 VanDerWaalsContact O-N 3.1Å; L4-R7 PolarHBondContact O-N 3.31Å; L4-V8 WeakPolarHBondContact O-CB 3.24Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.48Å; L4-V8 PolarHBondContact O-N 3.19Å; L4-D19 HydrophobicContact CD1-CB 3.94Å; L4-L20 HydrophobicContact CB-CD2 3.73Å; L4-L23 HydrophobicContact CB-CD1 4.3Å; L4-L23 HydrophobicContact CD1-CD1 4.14Å; L4-L23 HydrophobicContact CD1-CD2 4Å; L4-L23 HydrophobicContact CD1-CG 4.26Å
5F88.1Confident85.9Confident2 Ų261.2 Ų61.21%0.00932%0.322CS..Hα-helixtrans-65-45.2172.3-86.7-74.7000110.8M1 H2 R7 V8 L9 L20 I28 L32 A35 C61 R64 I65M1-F5 HydrophobicContact CG-CB 3.57Å; M1-F5 VanDerWaalsContact SD-C 3.57Å; M1-F5 HydrophobicContact SD-CB 3.66Å; H2-F5 PolarHBondContact O-N 2.54Å; F5-R7 PolarHBondContact O-N 2.87Å; F5-R7 VanDerWaalsContact O-N 3.15Å; F5-V8 PolarHBondContact O-N 2.89Å; F5-L9 HydrophobicContact CD1-CD1 4.16Å; F5-L9 WeakPolarHBondContact O-CB 3.35Å; F5-L9 PolarHBondContact O-N 2.91Å; F5-L20 HydrophobicContact CD1-CD1 4.16Å; F5-L20 HydrophobicContact CD1-CD2 4.18Å; F5-L20 HydrophobicContact CD2-CD2 4.01Å; F5-L20 HydrophobicContact CE1-CD1 3.94Å; F5-L20 HydrophobicContact CE1-CD2 4.35Å; F5-L20 HydrophobicContact CE2-CD2 4.2Å; F5-L20 HydrophobicContact CG-CD2 4.01Å; F5-L20 HydrophobicContact CZ-CD1 4.39Å; F5-L20 HydrophobicContact CZ-CD2 4.37Å; F5-I28 HydrophobicContact CD2-CG2 4.31Å; F5-I28 HydrophobicContact CE2-CB 4.11Å; F5-I28 HydrophobicContact CE2-CD1 4Å; F5-I28 HydrophobicContact CE2-CG2 4.05Å; F5-L32 HydrophobicContact CE2-CD2 4.49Å; F5-A35 HydrophobicContact CD1-CB 4.18Å; F5-A35 HydrophobicContact CG-CB 4.48Å; F5-C61 HydrophobicContact CE1-CB 4.11Å; F5-R64 HydrophobicContact CE2-CG 4.47Å; F5-R64 HydrophobicContact CZ-CB 4.13Å; F5-R64 HydrophobicContact CZ-CG 3.85Å; F5-I65 HydrophobicContact CE1-CD1 4.08Å; F5-I65 HydrophobicContact CE1-CG1 3.87Å; F5-I65 HydrophobicContact CZ-CG1 3.86Å
6S87.8Confident85.6Confident47 Ų4761.7 Ų61.733%0.32932%0.318SS..Hα-helixtrans-61.5-26178.6-50.60000113M1 H2 G10M1-S6 WeakPolarHBondContact CG-OG 3.14Å; M1-S6 WeakPolarHBondContact SD-CA 3.23Å; M1-S6 PolarHBondContact SD-N 2.98Å; M1-S6 PolarHBondContact SD-OG 3.23Å; H2-S6 PolarHBondContact O-N 3Å; H2-S6 VanDerWaalsContact O-N 3.09Å; H2-S6 PolarHBondContact O-OG 3.15Å; S6-G10 VanDerWaalsContact O-CA 3.28Å; S6-G10 WeakPolarHBondContact O-CA 3.15Å; S6-G10 PolarHBondContact O-N 3.15Å; S6-G10 VanDerWaalsContact O-N 3.16Å
7R86.9Confident85.3Confident109 Ų10958.1 Ų58.141%0.41130%0.299SS..Hα-helixtrans-84.6-45.6174.1-177.8164.5171.7156.83.4112.9Q3 L4 F5 Q11 D13Q3-R7 WeakPolarHBondContact O-CB 3.29Å; Q3-R7 PolarHBondContact O-N 2.63Å; Q3-R7 VanDerWaalsContact O-N 3.1Å; L4-R7 PolarHBondContact O-N 3.31Å; F5-R7 PolarHBondContact O-N 2.87Å; F5-R7 VanDerWaalsContact O-N 3.15Å; R7-Q11 WeakPolarHBondContact O-CA 3.27Å; R7-Q11 VanDerWaalsContact O-CB 3.23Å; R7-Q11 WeakPolarHBondContact O-CB 3.31Å; R7-Q11 PolarHBondContact O-N 3.4Å; R7-D13 HydrophobicContact CG-CB 4.44Å; R7-D13 IonicContact CZ-OD2 3.85Å; R7-D13 IonicContact NE-OD2 3.15Å; R7-D13 PolarHBondContact NE-OD2 3.14Å; R7-D13 VanDerWaalsContact NE-OD2 3.15Å; R7-D13 IonicContact NH2-OD2 3.61Å
8V88.8Confident84.9Confident1 Ų157.6 Ų57.61%0.00631%0.311CS..Hα-helixtrans-67.3-44.5-178.6170.60000111.4L4 F5 R12 D13 R16 A17 L20 V57L4-V8 WeakPolarHBondContact O-CB 3.24Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.48Å; L4-V8 PolarHBondContact O-N 3.19Å; F5-V8 PolarHBondContact O-N 2.89Å; V8-R12 CarbonylContact O-C 3.43Å; V8-R12 WeakPolarHBondContact O-CA 3.45Å; V8-R12 PolarHBondContact O-N 2.8Å; V8-D13 PolarHBondContact O-N 3.14Å; V8-D13 VanDerWaalsContact O-N 3.11Å; V8-R16 HydrophobicContact CG2-CB 4.09Å; V8-A17 HydrophobicContact CG1-CB 3.7Å; V8-A17 HydrophobicContact CG2-CB 4.47Å; V8-L20 HydrophobicContact CB-CD1 4.33Å; V8-L20 HydrophobicContact CG1-CD1 4.09Å; V8-L20 HydrophobicContact CG2-CD1 4.35Å; V8-L20 HydrophobicContact CG2-CD2 4.45Å; V8-L20 HydrophobicContact CG2-CG 4.35Å; V8-V57 HydrophobicContact CG1-CG1 4.01Å
9L89.5Confident84.9Confident3 Ų357.4 Ų57.42%0.01631%0.31CS..THydrogen-bonded Turntrans-77.1-59.2175.3-62.7172.6000110.7F5 Q11 R12 A35 Q38 I39 I42 V57 C61F5-L9 HydrophobicContact CD1-CD1 4.16Å; F5-L9 WeakPolarHBondContact O-CB 3.35Å; F5-L9 PolarHBondContact O-N 2.91Å; L9-Q11 VanDerWaalsContact C-N 3.31Å; L9-Q11 PolarHBondContact O-N 3.12Å; L9-R12 PolarHBondContact O-N 3.31Å; L9-R12 VanDerWaalsContact O-N 3.1Å; L9-A35 HydrophobicContact CD1-CB 3.94Å; L9-Q38 HydrophobicContact CB-CB 4.33Å; L9-Q38 HydrophobicContact CD1-CB 4.05Å; L9-I39 HydrophobicContact CD1-CG1 4.15Å; L9-I39 HydrophobicContact CD2-CD1 4.36Å; L9-I39 HydrophobicContact CD2-CG1 3.6Å; L9-I42 HydrophobicContact CB-CD1 4.22Å; L9-I42 HydrophobicContact CD2-CD1 4.06Å; L9-V57 HydrophobicContact CD2-CG1 4Å; L9-C61 HydrophobicContact CD2-CB 3.96Å
10G85.6Confident84.8Confident55 Ų5554.6 Ų54.657%0.56729%0.294SS*.THydrogen-bonded Turntrans-67-20.6-172.900000116S6S6-G10 VanDerWaalsContact O-CA 3.28Å; S6-G10 WeakPolarHBondContact O-CA 3.15Å; S6-G10 PolarHBondContact O-N 3.15Å; S6-G10 VanDerWaalsContact O-N 3.16Å
11Q85.8Confident84.9Confident133 Ų13356.1 Ų56.162%0.62130%0.299SS*.THydrogen-bonded Turntrans-113.35.4172.2-51-174.1-19.400113.1R7 L9 D13R7-Q11 WeakPolarHBondContact O-CA 3.27Å; R7-Q11 VanDerWaalsContact O-CB 3.23Å; R7-Q11 WeakPolarHBondContact O-CB 3.31Å; R7-Q11 PolarHBondContact O-N 3.4Å; L9-Q11 VanDerWaalsContact C-N 3.31Å; L9-Q11 PolarHBondContact O-N 3.12Å; Q11-D13 HydrophobicContact CB-CB 4.43Å; Q11-D13 PolarHBondContact O-N 3.04Å; Q11-D13 VanDerWaalsContact O-N 3.14Å
12R86.6Confident85.3Confident92 Ų9258.5 Ų58.535%0.34732%0.32SS..  trans52.630.6-176.1-60.2170.4178.1-157.65.4112.9V8 L9 L14 D47 N53 D54V8-R12 CarbonylContact O-C 3.43Å; V8-R12 WeakPolarHBondContact O-CA 3.45Å; V8-R12 PolarHBondContact O-N 2.8Å; L9-R12 PolarHBondContact O-N 3.31Å; L9-R12 VanDerWaalsContact O-N 3.1Å; R12-L14 PolarHBondContact O-N 3.1Å; R12-D47 IonicContact NH1-OD2 3.12Å; R12-N53 PolarHBondContact O-ND2 3.41Å; R12-D54 WeakPolarHBondContact CD-OD1 3.32Å; R12-D54 VanDerWaalsContact CD-OD2 3.24Å; R12-D54 WeakPolarHBondContact CD-OD2 3.43Å; R12-D54 IonicContact CZ-OD2 3.41Å; R12-D54 IonicContact NE-OD2 2.89Å; R12-D54 PolarHBondContact NE-OD2 2.97Å; R12-D54 IonicContact NH1-OD2 2.87Å; R12-D54 PolarHBondContact NH1-OD2 3.46Å
13D85.8Confident85.2Confident28 Ų2857.1 Ų57.115%0.1532%0.315CS..  trans-79.275.2-170.6-173.1-2.7000112.2R7 V8 Q11 S15 R16 A17R7-D13 HydrophobicContact CG-CB 4.44Å; R7-D13 IonicContact CZ-OD2 3.85Å; R7-D13 IonicContact NE-OD2 3.15Å; R7-D13 PolarHBondContact NE-OD2 3.14Å; R7-D13 VanDerWaalsContact NE-OD2 3.15Å; R7-D13 IonicContact NH2-OD2 3.61Å; V8-D13 PolarHBondContact O-N 3.14Å; V8-D13 VanDerWaalsContact O-N 3.11Å; Q11-D13 HydrophobicContact CB-CB 4.43Å; Q11-D13 PolarHBondContact O-N 3.04Å; Q11-D13 VanDerWaalsContact O-N 3.14Å; D13-S15 PolarHBondContact O-N 3.1Å; D13-S15 VanDerWaalsContact O-N 3.12Å; D13-S15 WeakPolarHBondContact OD1-CB 3.5Å; D13-S15 PolarHBondContact OD1-N 3.15Å; D13-S15 PolarHBondContact OD1-OG 3.36Å; D13-R16 PolarHBondContact O-N 3.3Å; D13-R16 VanDerWaalsContact O-N 3.09Å; D13-R16 WeakPolarHBondContact OD2-CD 3.28Å; D13-R16 WeakPolarHBondContact OD2-CG 3.37Å; D13-A17 PolarHBondContact O-N 3.28Å
14L86.1Confident85.2Confident60 Ų6055.7 Ų55.731%0.31431%0.308SS..G310 helixtrans-55.8-26.7177-177.559.8000113.2R12 R16 A17 N53 A56 V57 I60R12-L14 PolarHBondContact O-N 3.1Å; L14-R16 PolarHBondContact O-N 3.34Å; L14-A17 HydrophobicContact CD1-CB 4.21Å; L14-A17 PolarHBondContact O-N 3.39Å; L14-N53 VanDerWaalsContact CB-OD1 3.29Å; L14-N53 WeakPolarHBondContact CB-OD1 3.45Å; L14-A56 HydrophobicContact CD1-CB 3.77Å; L14-A56 HydrophobicContact CD2-CB 3.96Å; L14-V57 HydrophobicContact CB-CG2 3.82Å; L14-V57 HydrophobicContact CD1-CG2 4.03Å; L14-V57 HydrophobicContact CG-CG2 4.5Å; L14-I60 HydrophobicContact CD1-CD1 3.84Å
15S81.3Confident85.4Confident95 Ų9556.3 Ų56.366%0.66431%0.312SS*.G310 helixtrans-63.3-27.3179.783.20000112.7D13D13-S15 PolarHBondContact O-N 3.1Å; D13-S15 VanDerWaalsContact O-N 3.12Å; D13-S15 WeakPolarHBondContact OD1-CB 3.5Å; D13-S15 PolarHBondContact OD1-N 3.15Å; D13-S15 PolarHBondContact OD1-OG 3.36Å
16R81.3Confident85.4Confident69 Ų6960.5 Ų60.526%0.2634%0.337SS..G310 helixtrans-106.5-2.3-179.2-61.4-155.368.2-154.3-5.5114.5V8 D13 L14 G18 D19V8-R16 HydrophobicContact CG2-CB 4.09Å; D13-R16 PolarHBondContact O-N 3.3Å; D13-R16 VanDerWaalsContact O-N 3.09Å; D13-R16 WeakPolarHBondContact OD2-CD 3.28Å; D13-R16 WeakPolarHBondContact OD2-CG 3.37Å; L14-R16 PolarHBondContact O-N 3.34Å; R16-G18 PolarHBondContact O-N 3.46Å; R16-G18 VanDerWaalsContact O-N 3.12Å; R16-D19 IonicContact CZ-OD2 3.31Å; R16-D19 IonicContact NE-OD2 2.63Å; R16-D19 PolarHBondContact NE-OD2 3.16Å; R16-D19 IonicContact NH2-OD2 3.53Å; R16-D19 PolarHBondContact NH2-OD2 3.09Å; R16-D19 WeakPolarHBondContact O-CB 3.47Å; R16-D19 PolarHBondContact O-N 2.89Å
17A80.5Confident85.4Confident0 Ų063.7 Ų63.70%035%0.347CS..THydrogen-bonded Turntrans-60.9-22.1177.600000113V8 D13 L14 I60V8-A17 HydrophobicContact CG1-CB 3.7Å; V8-A17 HydrophobicContact CG2-CB 4.47Å; D13-A17 PolarHBondContact O-N 3.28Å; L14-A17 HydrophobicContact CD1-CB 4.21Å; L14-A17 PolarHBondContact O-N 3.39Å; A17-I60 HydrophobicContact CB-CB 4.31Å; A17-I60 HydrophobicContact CB-CD1 3.89Å; A17-I60 HydrophobicContact CB-CG2 3.75Å; A17-I60 VanDerWaalsContact O-CG2 3.29Å; A17-I60 WeakPolarHBondContact O-CG2 3.45Å
18G77.9Confident85.6Confident49 Ų4958.6 Ų58.651%0.50533%0.328SS..THydrogen-bonded Turntrans-67.5-34.7171.200000114.2R16 L20 F21R16-G18 PolarHBondContact O-N 3.46Å; R16-G18 VanDerWaalsContact O-N 3.12Å; G18-L20 PolarHBondContact O-N 3.09Å; G18-L20 VanDerWaalsContact O-N 3.16Å; G18-F21 PolarHBondContact O-N 3.11Å
19D84.3Confident85.6Confident55 Ų5559.9 Ų59.929%0.29433%0.334SS..G310 helixtrans-64.7-20.7-176.5-55.6-3.4000112.2L4 R16 F21 S22L4-D19 HydrophobicContact CD1-CB 3.94Å; R16-D19 IonicContact CZ-OD2 3.31Å; R16-D19 IonicContact NE-OD2 2.63Å; R16-D19 PolarHBondContact NE-OD2 3.16Å; R16-D19 IonicContact NH2-OD2 3.53Å; R16-D19 PolarHBondContact NH2-OD2 3.09Å; R16-D19 WeakPolarHBondContact O-CB 3.47Å; R16-D19 PolarHBondContact O-N 2.89Å; D19-F21 PolarHBondContact O-N 3.4Å; D19-S22 PolarHBondContact O-N 3.1Å; D19-S22 PolarHBondContact O-OG 2.94Å
20L83.3Confident85.6Confident0 Ų067.1 Ų67.10%037%0.372CS..G310 helixtrans-60.6-27.4177.3-63176.6000112.6L4 F5 V8 G18 S22 L23 I60 R64L4-L20 HydrophobicContact CB-CD2 3.73Å; F5-L20 HydrophobicContact CD1-CD1 4.16Å; F5-L20 HydrophobicContact CD1-CD2 4.18Å; F5-L20 HydrophobicContact CD2-CD2 4.01Å; F5-L20 HydrophobicContact CE1-CD1 3.94Å; F5-L20 HydrophobicContact CE1-CD2 4.35Å; F5-L20 HydrophobicContact CE2-CD2 4.2Å; F5-L20 HydrophobicContact CG-CD2 4.01Å; F5-L20 HydrophobicContact CZ-CD1 4.39Å; F5-L20 HydrophobicContact CZ-CD2 4.37Å; V8-L20 HydrophobicContact CB-CD1 4.33Å; V8-L20 HydrophobicContact CG1-CD1 4.09Å; V8-L20 HydrophobicContact CG2-CD1 4.35Å; V8-L20 HydrophobicContact CG2-CD2 4.45Å; V8-L20 HydrophobicContact CG2-CG 4.35Å; G18-L20 PolarHBondContact O-N 3.09Å; G18-L20 VanDerWaalsContact O-N 3.16Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 2.87Å; L20-L23 HydrophobicContact CD2-CD1 4.39Å; L20-I60 HydrophobicContact CD1-CG2 4.48Å; L20-R64 HydrophobicContact CB-CG 4.13Å; L20-R64 WeakPolarHBondContact O-CD 3.33Å; L20-R64 PolarHBondContact O-NE 3.3Å
21F86.7Confident85.9Confident87 Ų8764.8 Ų64.838%0.38235%0.349SS..G310 helixtrans-83.2-1.3180-65.1-82000114.5G18 D19 I60 T63 R64G18-F21 PolarHBondContact O-N 3.11Å; D19-F21 PolarHBondContact O-N 3.4Å; F21-I60 HydrophobicContact CE2-CG2 3.85Å; F21-I60 HydrophobicContact CZ-CG2 4.41Å; F21-T63 HydrophobicContact CE1-CG2 4.16Å; F21-T63 HydrophobicContact CZ-CG2 4.02Å; F21-R64 HydrophobicContact CE1-CB 4.19Å; F21-R64 HydrophobicContact CZ-CB 4.25Å
22S84.6Confident86.2Confident100 Ų10058.5 Ų58.570%0.69932%0.319SS*.G310 helixtrans-103.96.8171.847.70000114D19 L20D19-S22 PolarHBondContact O-N 3.1Å; D19-S22 PolarHBondContact O-OG 2.94Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-S22 PolarHBondContact O-N 2.87Å
23L84.8Confident86.6Confident24 Ų2455.6 Ų55.613%0.12631%0.313CS..SBendtrans-88.8145.2169.6-57.6174.1000110H2 L4 L20 I28 R64H2-L23 VanDerWaalsContact ND1-CD1 3.25Å; H2-L23 WeakPolarHBondContact ND1-CD1 3.43Å; L4-L23 HydrophobicContact CB-CD1 4.3Å; L4-L23 HydrophobicContact CD1-CD1 4.14Å; L4-L23 HydrophobicContact CD1-CD2 4Å; L4-L23 HydrophobicContact CD1-CG 4.26Å; L20-L23 HydrophobicContact CD2-CD1 4.39Å; L23-I28 HydrophobicContact CB-CG2 4.11Å; L23-I28 HydrophobicContact CD1-CG2 3.64Å; L23-R64 PolarHBondContact O-NH2 2.94Å
24E87Confident87Confident132 Ų13258.5 Ų58.562%0.61733%0.326SS*.  trans-68.5150.5171.5-60.2-168.6169.900110.6T26 E27E24-T26 PolarHBondContact O-N 3.24Å; E24-E27 HydrophobicContact CB-CG 4.07Å; E24-E27 PolarHBondContact N-OE2 2.88Å; E24-E27 PolarHBondContact O-N 3.22Å
25D89.8Confident87.4Confident42 Ų4255.7 Ų55.723%0.22531%0.311CS..Hα-helixtrans-65.7-29.8-177.4-63.8-64.5000112.8I28 E29 R64 A68 T72D25-I28 WeakPolarHBondContact O-CG1 3.29Å; D25-E29 PolarHBondContact O-N 2.7Å; D25-R64 IonicContact OD1-CZ 2.78Å; D25-R64 IonicContact OD1-NH1 3.98Å; D25-R64 PolarHBondContact OD1-NH1 3.11Å; D25-R64 IonicContact OD1-NH2 3.41Å; D25-R64 PolarHBondContact OD1-NH2 3.42Å; D25-A68 HydrophobicContact CB-CB 4.3Å; D25-A68 WeakPolarHBondContact OD1-CA 3.39Å; D25-T72 HydrophobicContact CB-CG2 3.91Å
26T88.3Confident88.1Confident89 Ų8951.1 Ų51.155%0.54628%0.279SS..Hα-helixtrans-70.7-37.3176.242.70000113.2E24 I28E24-T26 PolarHBondContact O-N 3.24Å; T26-I28 PolarHBondContact O-N 2.84Å
27E88.8Confident88.7Confident114 Ų11451.7 Ų51.753%0.53329%0.287SS..Hα-helixtrans-64.4-22.8179.2-70.3180127.200113.2E24E24-E27 HydrophobicContact CB-CG 4.07Å; E24-E27 PolarHBondContact N-OE2 2.88Å; E24-E27 PolarHBondContact O-N 3.22Å
28I89.9Confident89.4Confident2 Ų254.1 Ų54.11%0.0130%0.299CS..Hα-helixtrans-108.8-13-174.359.9177.3000113.9H2 F5 L23 D25 T26 D30 G31 L32 R64 A68H2-I28 HydrophobicContact CB-CG2 4.03Å; F5-I28 HydrophobicContact CD2-CG2 4.31Å; F5-I28 HydrophobicContact CE2-CB 4.11Å; F5-I28 HydrophobicContact CE2-CD1 4Å; F5-I28 HydrophobicContact CE2-CG2 4.05Å; L23-I28 HydrophobicContact CB-CG2 4.11Å; L23-I28 HydrophobicContact CD1-CG2 3.64Å; D25-I28 WeakPolarHBondContact O-CG1 3.29Å; T26-I28 PolarHBondContact O-N 2.84Å; I28-D30 PolarHBondContact O-N 2.81Å; I28-G31 WeakPolarHBondContact O-CA 3.4Å; I28-G31 PolarHBondContact O-N 2.89Å; I28-L32 HydrophobicContact CB-CD2 4.21Å; I28-L32 HydrophobicContact CD1-CD2 4.29Å; I28-L32 HydrophobicContact CG1-CD2 4.13Å; I28-L32 WeakPolarHBondContact O-CD2 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.4Å; I28-L32 PolarHBondContact O-N 2.97Å; I28-R64 HydrophobicContact CD1-CG 4.18Å; I28-A68 HydrophobicContact CD1-CB 3.72Å; I28-A68 HydrophobicContact CG1-CB 4.06Å
29E90.6Very high90.2Very high29 Ų2951.8 Ų51.814%0.13628%0.275CS..G310 helixtrans-51.8-56.2-173-164.8-171149.600112.7D25 G31 L32 T72 S74 R77 H78D25-E29 PolarHBondContact O-N 2.7Å; E29-G31 PolarHBondContact O-N 3.36Å; E29-L32 WeakPolarHBondContact O-CG 3.2Å; E29-L32 PolarHBondContact O-N 3.41Å; E29-L32 VanDerWaalsContact O-N 3.08Å; E29-T72 HydrophobicContact CG-CG2 4.41Å; E29-S74 WeakPolarHBondContact OE1-CB 3.32Å; E29-R77 IonicContact OE1-CZ 2.66Å; E29-R77 IonicContact OE1-NE 2.7Å; E29-R77 IonicContact OE1-NH1 3.77Å; E29-R77 PolarHBondContact OE1-NH1 3.39Å; E29-H78 PolarHBondContact O-CE1 2.74Å; E29-H78 PolarHBondContact O-NE2 3.4Å
30D89.2Confident90.7Very high154 Ų15452 Ų5282%0.82427%0.273SS*.G310 helixtrans-58.9-19.8179.1-70.1-30.4000113.5I28I28-D30 PolarHBondContact O-N 2.81Å
31G90.6Very high91.2Very high7 Ų757.9 Ų57.97%0.07230%0.304CS..G310 helixtrans-93.3-6.4-179.500000115.7I28 E29 A35I28-G31 WeakPolarHBondContact O-CA 3.4Å; I28-G31 PolarHBondContact O-N 2.89Å; E29-G31 PolarHBondContact O-N 3.36Å; G31-A35 PolarHBondContact O-N 3.5Å
32L93.7Very high91.5Very high0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-72.1-35.1-166.8-59.6-179.2000114F5 I28 E29 A35 L36 I65 A68 I69F5-L32 HydrophobicContact CE2-CD2 4.49Å; I28-L32 HydrophobicContact CB-CD2 4.21Å; I28-L32 HydrophobicContact CD1-CD2 4.29Å; I28-L32 HydrophobicContact CG1-CD2 4.13Å; I28-L32 WeakPolarHBondContact O-CD2 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.4Å; I28-L32 PolarHBondContact O-N 2.97Å; E29-L32 WeakPolarHBondContact O-CG 3.2Å; E29-L32 PolarHBondContact O-N 3.41Å; E29-L32 VanDerWaalsContact O-N 3.08Å; L32-A35 PolarHBondContact O-N 3.12Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 2.59Å; L32-I65 HydrophobicContact CB-CG2 4.17Å; L32-I65 HydrophobicContact CD2-CB 4.41Å; L32-I65 HydrophobicContact CD2-CG1 4.01Å; L32-I65 HydrophobicContact CD2-CG2 4.28Å; L32-A68 HydrophobicContact CD1-CB 3.76Å; L32-A68 HydrophobicContact CD2-CB 4.27Å; L32-I69 HydrophobicContact CD1-CG1 3.72Å
33S94.3Very high91.9Very high32 Ų3249.5 Ų49.522%0.22426%0.256CS..Hα-helixtrans-63.7-50178-56.90000111.5A35 L36 D37 H78S33-A35 PolarHBondContact O-N 2.99Å; S33-L36 WeakPolarHBondContact O-CB 3.49Å; S33-L36 PolarHBondContact O-N 3.37Å; S33-D37 PolarHBondContact O-N 3.18Å; S33-H78 PolarHBondContact OG-ND1 3.15Å
34E94.3Very high92.3Very high89 Ų8950.7 Ų50.742%0.41627%0.265SS..Hα-helixtrans-59.8-29.7177.3-162.8-165.1138.600112M1 Q38M1-E34 WeakPolarHBondContact CA-OE2 3.3Å; M1-E34 HydrophobicContact CB-CB 4.39Å; M1-E34 VanDerWaalsContact CB-CD 3.42Å; M1-E34 HydrophobicContact CB-CG 4.31Å; M1-E34 VanDerWaalsContact CB-OE1 3.27Å; M1-E34 WeakPolarHBondContact CB-OE1 3.37Å; M1-E34 WeakPolarHBondContact CB-OE2 3.39Å; M1-E34 HydrophobicContact CE-CB 3.92Å; M1-E34 HydrophobicContact CE-CG 3.74Å; M1-E34 WeakPolarHBondContact CE-O 3.4Å; M1-E34 PolarHBondContact N-OE2 3.09Å; E34-Q38 PolarHBondContact O-N 2.91Å; E34-Q38 VanDerWaalsContact O-N 3.1Å
35A94.1Very high92.5Very high0 Ų045.8 Ų45.80%025%0.246CC..Hα-helixtrans-75.3-35.817600000112.3M1 F5 L9 G31 L32 S33 I39 I65M1-A35 VanDerWaalsContact CE-CA 3.49Å; M1-A35 HydrophobicContact CE-CB 4Å; F5-A35 HydrophobicContact CD1-CB 4.18Å; F5-A35 HydrophobicContact CG-CB 4.48Å; L9-A35 HydrophobicContact CD1-CB 3.94Å; G31-A35 PolarHBondContact O-N 3.5Å; L32-A35 PolarHBondContact O-N 3.12Å; S33-A35 PolarHBondContact O-N 2.99Å; A35-I39 WeakPolarHBondContact O-CB 3.39Å; A35-I39 VanDerWaalsContact O-CD1 3.32Å; A35-I39 WeakPolarHBondContact O-CD1 3.48Å; A35-I39 WeakPolarHBondContact O-CG1 3.44Å; A35-I39 PolarHBondContact O-N 3.24Å; A35-I65 HydrophobicContact CB-CD1 3.79Å
36L95.8Very high92.4Very high0 Ų049.9 Ų49.90%028%0.275CS..Hα-helixtrans-66.2-38171.9-69.5161.8000111.4L32 S33 I39 K40 I65 A81 L82 L85L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 2.59Å; S33-L36 WeakPolarHBondContact O-CB 3.49Å; S33-L36 PolarHBondContact O-N 3.37Å; L36-I39 PolarHBondContact O-N 3.1Å; L36-K40 PolarHBondContact O-N 3.13Å; L36-I65 HydrophobicContact CD1-CG2 4.1Å; L36-I65 HydrophobicContact CD2-CD1 4.27Å; L36-I65 HydrophobicContact CD2-CG2 4Å; L36-I65 HydrophobicContact CG-CD1 4.33Å; L36-I65 HydrophobicContact CG-CG2 4.02Å; L36-A81 HydrophobicContact CB-CB 3.99Å; L36-A81 HydrophobicContact CD1-CB 4.14Å; L36-L82 HydrophobicContact CD1-CB 4.02Å; L36-L82 HydrophobicContact CD1-CD1 4.2Å; L36-L82 HydrophobicContact CD2-CD1 3.91Å; L36-L85 HydrophobicContact CD2-CD2 3.72Å
37D94.8Very high92.5Very high80 Ų8048.2 Ų48.243%0.42826%0.262SS..Hα-helixtrans-65.1-44.9174.9-63.3-39.8000111.7S33 I39 K40 D41S33-D37 PolarHBondContact O-N 3.18Å; D37-I39 VanDerWaalsContact C-N 3.33Å; D37-I39 PolarHBondContact O-N 2.82Å; D37-K40 VanDerWaalsContact O-CB 3.31Å; D37-K40 WeakPolarHBondContact O-CB 3.29Å; D37-K40 PolarHBondContact O-N 3.23Å; D37-K40 VanDerWaalsContact O-N 3.12Å; D37-D41 PolarHBondContact O-N 3.12Å
38Q94.1Very high92.6Very high52 Ų5243 Ų4324%0.24324%0.238CC..Hα-helixtrans-65.5-33173.8-74.3-174.819.100113.2M1 L9 E34 K40 I42M1-Q38 HydrophobicContact CE-CB 4.41Å; M1-Q38 HydrophobicContact CE-CG 3.97Å; M1-Q38 VanDerWaalsContact CE-NE2 3.26Å; L9-Q38 HydrophobicContact CB-CB 4.33Å; L9-Q38 HydrophobicContact CD1-CB 4.05Å; E34-Q38 PolarHBondContact O-N 2.91Å; E34-Q38 VanDerWaalsContact O-N 3.1Å; Q38-K40 VanDerWaalsContact C-N 3.32Å; Q38-I42 WeakPolarHBondContact O-CD1 3.32Å; Q38-I42 VanDerWaalsContact O-CG1 3.29Å; Q38-I42 WeakPolarHBondContact O-CG1 3.46Å; Q38-I42 PolarHBondContact O-N 2.92Å; Q38-I42 VanDerWaalsContact O-N 3.11Å
39I95.3Very high92.5Very high0 Ų047.3 Ų47.30%026%0.261CS..Hα-helixtrans-65.3-38.5171.9-72.8161.6000110.8L9 A35 L36 D37 I42 S43 V58 C61 I62 I65 L85L9-I39 HydrophobicContact CD1-CG1 4.15Å; L9-I39 HydrophobicContact CD2-CD1 4.36Å; L9-I39 HydrophobicContact CD2-CG1 3.6Å; A35-I39 WeakPolarHBondContact O-CB 3.39Å; A35-I39 VanDerWaalsContact O-CD1 3.32Å; A35-I39 WeakPolarHBondContact O-CD1 3.48Å; A35-I39 WeakPolarHBondContact O-CG1 3.44Å; A35-I39 PolarHBondContact O-N 3.24Å; L36-I39 PolarHBondContact O-N 3.1Å; D37-I39 VanDerWaalsContact C-N 3.33Å; D37-I39 PolarHBondContact O-N 2.82Å; I39-I42 PolarHBondContact O-N 3.02Å; I39-S43 VanDerWaalsContact O-CB 3.31Å; I39-S43 WeakPolarHBondContact O-CB 3.35Å; I39-S43 PolarHBondContact O-N 3.3Å; I39-S43 PolarHBondContact O-OG 3.06Å; I39-V58 HydrophobicContact CG2-CG1 3.73Å; I39-V58 HydrophobicContact CG2-CG2 4.17Å; I39-C61 HydrophobicContact CD1-CB 3.7Å; I39-C61 HydrophobicContact CG1-CB 4.3Å; I39-I62 HydrophobicContact CD1-CG1 4.11Å; I39-I62 HydrophobicContact CG2-CD1 4.14Å; I39-I62 HydrophobicContact CG2-CG1 4.14Å; I39-I65 HydrophobicContact CD1-CD1 3.42Å; I39-I65 VanDerWaalsContact CD1-CD1 3.42Å; I39-L85 HydrophobicContact CB-CD2 4.27Å; I39-L85 HydrophobicContact CG2-CD1 3.92Å; I39-L85 HydrophobicContact CG2-CD2 3.64Å; I39-L85 HydrophobicContact CG2-CG 4.47Å
40K95.1Very high92.3Very high60 Ų6051.6 Ų51.626%0.26129%0.289SS..Hα-helixtrans-59.6-53.2175177.9168.4179152.80110.5L36 D37 Q38 I42 S43 C44 G84 L85 S88L36-K40 PolarHBondContact O-N 3.13Å; D37-K40 VanDerWaalsContact O-CB 3.31Å; D37-K40 WeakPolarHBondContact O-CB 3.29Å; D37-K40 PolarHBondContact O-N 3.23Å; D37-K40 VanDerWaalsContact O-N 3.12Å; Q38-K40 VanDerWaalsContact C-N 3.32Å; K40-I42 VanDerWaalsContact C-N 3.3Å; K40-I42 PolarHBondContact O-N 3.33Å; K40-S43 PolarHBondContact O-N 2.66Å; K40-S43 VanDerWaalsContact O-N 3.09Å; K40-S43 PolarHBondContact O-OG 3.28Å; K40-C44 PolarHBondContact O-N 3.5Å; K40-C44 PolarHBondContact O-SG 3.18Å; K40-C44 VanDerWaalsContact O-SG 3.39Å; K40-G84 PolarHBondContact NZ-O 2.78Å; K40-L85 HydrophobicContact CB-CD1 3.82Å; K40-L85 HydrophobicContact CG-CD1 4.5Å; K40-S88 WeakPolarHBondContact CD-OG 3.48Å; K40-S88 WeakPolarHBondContact CE-OG 3.13Å; K40-S88 PolarHBondContact NZ-OG 3Å
41D94Very high92.3Very high122 Ų12246.1 Ų46.165%0.65226%0.259SS*.Hα-helixtrans-54.4-43.4177.4-72.2-20.3000112.7D37 S45D37-D41 PolarHBondContact O-N 3.12Å; D41-S45 PolarHBondContact O-N 3.33Å
42I93.3Very high92.2Very high12 Ų1251.9 Ų51.96%0.06229%0.289CS..Hα-helixtrans-66.3-45.9176.6-66.5164.4000111L9 Q38 I39 K40 C44 S45 Y48 D54 V58L9-I42 HydrophobicContact CB-CD1 4.22Å; L9-I42 HydrophobicContact CD2-CD1 4.06Å; Q38-I42 WeakPolarHBondContact O-CD1 3.32Å; Q38-I42 VanDerWaalsContact O-CG1 3.29Å; Q38-I42 WeakPolarHBondContact O-CG1 3.46Å; Q38-I42 PolarHBondContact O-N 2.92Å; Q38-I42 VanDerWaalsContact O-N 3.11Å; I39-I42 PolarHBondContact O-N 3.02Å; K40-I42 VanDerWaalsContact C-N 3.3Å; K40-I42 PolarHBondContact O-N 3.33Å; I42-C44 VanDerWaalsContact C-N 3.31Å; I42-C44 PolarHBondContact O-N 2.98Å; I42-S45 WeakPolarHBondContact O-CB 3.47Å; I42-S45 PolarHBondContact O-N 3.29Å; I42-S45 VanDerWaalsContact O-N 3.15Å; I42-Y48 HydrophobicContact CG2-CD2 4.19Å; I42-Y48 HydrophobicContact CG2-CE2 4.33Å; I42-D54 HydrophobicContact CG2-CB 4.01Å; I42-V58 HydrophobicContact CB-CG2 4.31Å; I42-V58 HydrophobicContact CG2-CG2 3.79Å
43S93.1Very high92.1Very high0 Ų054.8 Ų54.80%030%0.304CS..Hα-helixtrans-68.7-27.4-176.773.10000113.9I39 K40 S45 Y48 H106I39-S43 VanDerWaalsContact O-CB 3.31Å; I39-S43 WeakPolarHBondContact O-CB 3.35Å; I39-S43 PolarHBondContact O-N 3.3Å; I39-S43 PolarHBondContact O-OG 3.06Å; K40-S43 PolarHBondContact O-N 2.66Å; K40-S43 VanDerWaalsContact O-N 3.09Å; K40-S43 PolarHBondContact O-OG 3.28Å; S43-S45 VanDerWaalsContact C-N 3.32Å; S43-Y48 WeakPolarHBondContact O-CD1 3.18Å; S43-H106 PolarHBondContact O-NE2 3.04Å
44C92.9Very high91.9Very high48 Ų4853.4 Ų53.432%0.32429%0.294SS..THydrogen-bonded Turntrans-83.8-5.3175.4-65.40000113.2K40 I42K40-C44 PolarHBondContact O-N 3.5Å; K40-C44 PolarHBondContact O-SG 3.18Å; K40-C44 VanDerWaalsContact O-SG 3.39Å; I42-C44 VanDerWaalsContact C-N 3.31Å; I42-C44 PolarHBondContact O-N 2.98Å
45S91.7Very high91.8Very high29 Ų2951 Ų5120%0.20328%0.283CS..SBendtrans-65.8135.4178.4-162.70000111.3D41 I42 S43 D47 Y48D41-S45 PolarHBondContact O-N 3.33Å; I42-S45 WeakPolarHBondContact O-CB 3.47Å; I42-S45 PolarHBondContact O-N 3.29Å; I42-S45 VanDerWaalsContact O-N 3.15Å; S43-S45 VanDerWaalsContact C-N 3.32Å; S45-D47 VanDerWaalsContact CB-OD1 3.29Å; S45-D47 WeakPolarHBondContact CB-OD1 3.24Å; S45-D47 PolarHBondContact O-N 2.97Å; S45-D47 VanDerWaalsContact O-N 3.15Å; S45-D47 PolarHBondContact OG-OD1 3.42Å; S45-Y48 WeakPolarHBondContact O-CB 3.2Å; S45-Y48 PolarHBondContact O-N 3.1Å
46P87.3Confident91.6Very high129 Ų12952 Ų5284%0.83829%0.292SS*.THydrogen-bonded Turntrans-66.9-18.9-172.726.5-35.6000114.3
47D90.1Very high91.4Very high53 Ų5352 Ų5228%0.28329%0.292SS..THydrogen-bonded Turntrans-83.3-1417466-54.3000113.7R12 S45 L49 T50 N51R12-D47 IonicContact NH1-OD2 3.12Å; S45-D47 VanDerWaalsContact CB-OD1 3.29Å; S45-D47 WeakPolarHBondContact CB-OD1 3.24Å; S45-D47 PolarHBondContact O-N 2.97Å; S45-D47 VanDerWaalsContact O-N 3.15Å; S45-D47 PolarHBondContact OG-OD1 3.42Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.96Å; D47-T50 CarbonylContact O-C 3.54Å; D47-T50 WeakPolarHBondContact O-CA 3.42Å; D47-T50 PolarHBondContact O-N 3.2Å; D47-T50 PolarHBondContact O-OG1 3.11Å; D47-N51 WeakPolarHBondContact O-CB 3.25Å; D47-N51 PolarHBondContact O-N 2.79Å; D47-N51 VanDerWaalsContact O-N 3.14Å; D47-N51 PolarHBondContact OD2-ND2 3.2Å
48Y91.4Very high91.4Very high5 Ų548.2 Ų48.22%0.0227%0.271CS..G310 helixtrans-56.2-40-169.3-178.1-111.7000113.3I42 S43 S45 T50 N51 D54 Q55 V58 P105 H106 I109I42-Y48 HydrophobicContact CG2-CD2 4.19Å; I42-Y48 HydrophobicContact CG2-CE2 4.33Å; S43-Y48 WeakPolarHBondContact O-CD1 3.18Å; S45-Y48 WeakPolarHBondContact O-CB 3.2Å; S45-Y48 PolarHBondContact O-N 3.1Å; Y48-T50 PolarHBondContact O-N 3.41Å; Y48-T50 VanDerWaalsContact O-N 3.12Å; Y48-N51 PolarHBondContact O-N 3.24Å; Y48-D54 HydrophobicContact CD2-CB 4.18Å; Y48-D54 HydrophobicContact CE2-CB 4.39Å; Y48-Q55 HydrophobicContact CD2-CG 4.28Å; Y48-Q55 HydrophobicContact CE1-CG 4.31Å; Y48-Q55 HydrophobicContact CE2-CB 4.34Å; Y48-Q55 HydrophobicContact CE2-CG 3.8Å; Y48-Q55 PolarHBondContact O-NE2 2.87Å; Y48-V58 HydrophobicContact CE2-CB 4.3Å; Y48-V58 HydrophobicContact CE2-CG2 3.96Å; Y48-V58 WeakPolarHBondContact OH-CG1 3.22Å; Y48-P105 HydrophobicContact CD1-CB 4.21Å; Y48-P105 HydrophobicContact CE1-CB 3.54Å; Y48-H106 AromaticContact CD1-CE1 3.75Å; Y48-H106 AromaticContact CD1-NE2 3.71Å; Y48-I109 HydrophobicContact CE1-CD1 4.02Å
49L86.8Confident91.3Very high93 Ų9350.4 Ų50.449%0.48728%0.282SS..G310 helixtrans-61.2-20.2177.1-67.8177.4000114.1D47 Q55 P105D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.96Å; L49-Q55 PolarHBondContact O-NE2 3.14Å; L49-P105 HydrophobicContact CD2-CG 4.08Å
50T86.2Confident91Very high119 Ų11951.3 Ų51.373%0.7329%0.286SS*.G310 helixtrans-114.92-177.747.20000113.5D47 Y48D47-T50 CarbonylContact O-C 3.54Å; D47-T50 WeakPolarHBondContact O-CA 3.42Å; D47-T50 PolarHBondContact O-N 3.2Å; D47-T50 PolarHBondContact O-OG1 3.11Å; Y48-T50 PolarHBondContact O-N 3.41Å; Y48-T50 VanDerWaalsContact O-N 3.12Å
51N89.6Confident90.9Very high38 Ų3848.4 Ų48.420%0.20327%0.274CS..  trans-113.486-171.5-173.1-18000111.1D47 Y48 N53 D54 Q55D47-N51 WeakPolarHBondContact O-CB 3.25Å; D47-N51 PolarHBondContact O-N 2.79Å; D47-N51 VanDerWaalsContact O-N 3.14Å; D47-N51 PolarHBondContact OD2-ND2 3.2Å; Y48-N51 PolarHBondContact O-N 3.24Å; N51-N53 PolarHBondContact O-N 3.49Å; N51-N53 PolarHBondContact OD1-N 3.27Å; N51-D54 HydrophobicContact CB-CB 4.4Å; N51-D54 VanDerWaalsContact ND2-CG 3.26Å; N51-D54 PolarHBondContact ND2-OD2 2.97Å; N51-D54 PolarHBondContact O-N 3.06Å; N51-D54 VanDerWaalsContact O-N 3.13Å; N51-D54 PolarHBondContact OD1-N 3.24Å; N51-Q55 WeakPolarHBondContact O-CG 3.37Å; N51-Q55 PolarHBondContact O-N 3.12Å; N51-Q55 VanDerWaalsContact O-N 3.1Å
52D88.3Confident91Very high129 Ų12942.7 Ų42.769%0.6924%0.243SC*.Hα-helixtrans-55.6-32-178.6-61.6-19.8000113.6A56D52-A56 WeakPolarHBondContact O-CB 3.33Å; D52-A56 PolarHBondContact O-N 3.24Å
53N90.7Very high90.9Very high61 Ų6144.3 Ų44.333%0.32625%0.253SS..Hα-helixtrans-63.4-48.3178.4178.686.1000110.5R12 L14 N51 A56 V57R12-N53 PolarHBondContact O-ND2 3.41Å; L14-N53 VanDerWaalsContact CB-OD1 3.29Å; L14-N53 WeakPolarHBondContact CB-OD1 3.45Å; N51-N53 PolarHBondContact O-N 3.49Å; N51-N53 PolarHBondContact OD1-N 3.27Å; N53-A56 PolarHBondContact O-N 2.91Å; N53-V57 WeakPolarHBondContact O-CG2 3.29Å; N53-V57 PolarHBondContact O-N 2.88Å
54D91.4Very high90.9Very high3 Ų344.7 Ų44.72%0.01626%0.255CS..Hα-helixtrans-75.9-34.5-173.9-65.83.2000111.1R12 I42 Y48 N51 A56 V57 V58R12-D54 WeakPolarHBondContact CD-OD1 3.32Å; R12-D54 VanDerWaalsContact CD-OD2 3.24Å; R12-D54 WeakPolarHBondContact CD-OD2 3.43Å; R12-D54 IonicContact CZ-OD2 3.41Å; R12-D54 IonicContact NE-OD2 2.89Å; R12-D54 PolarHBondContact NE-OD2 2.97Å; R12-D54 IonicContact NH1-OD2 2.87Å; R12-D54 PolarHBondContact NH1-OD2 3.46Å; I42-D54 HydrophobicContact CG2-CB 4.01Å; Y48-D54 HydrophobicContact CD2-CB 4.18Å; Y48-D54 HydrophobicContact CE2-CB 4.39Å; N51-D54 HydrophobicContact CB-CB 4.4Å; N51-D54 VanDerWaalsContact ND2-CG 3.26Å; N51-D54 PolarHBondContact ND2-OD2 2.97Å; N51-D54 PolarHBondContact O-N 3.06Å; N51-D54 VanDerWaalsContact O-N 3.13Å; N51-D54 PolarHBondContact OD1-N 3.24Å; D54-A56 VanDerWaalsContact C-N 3.34Å; D54-A56 PolarHBondContact O-N 3.18Å; D54-V57 PolarHBondContact O-N 3.32Å; D54-V58 WeakPolarHBondContact O-CB 3.31Å; D54-V58 VanDerWaalsContact O-CG2 3.3Å; D54-V58 WeakPolarHBondContact O-CG2 3.44Å; D54-V58 PolarHBondContact O-N 3.36Å
55Q91.4Very high91Very high37 Ų3742.4 Ų42.417%0.17324%0.24CC..Hα-helixtrans-58.2-45.9168.5-67178.936.200111.5Y48 L49 N51 V58 E59 P105Y48-Q55 HydrophobicContact CD2-CG 4.28Å; Y48-Q55 HydrophobicContact CE1-CG 4.31Å; Y48-Q55 HydrophobicContact CE2-CB 4.34Å; Y48-Q55 HydrophobicContact CE2-CG 3.8Å; Y48-Q55 PolarHBondContact O-NE2 2.87Å; L49-Q55 PolarHBondContact O-NE2 3.14Å; N51-Q55 WeakPolarHBondContact O-CG 3.37Å; N51-Q55 PolarHBondContact O-N 3.12Å; N51-Q55 VanDerWaalsContact O-N 3.1Å; Q55-V58 PolarHBondContact O-N 2.9Å; Q55-E59 WeakPolarHBondContact O-CB 3.45Å; Q55-E59 PolarHBondContact O-N 2.97Å; Q55-P105 VanDerWaalsContact CD-CG 3.48Å; Q55-P105 HydrophobicContact CG-CB 4.13Å; Q55-P105 HydrophobicContact CG-CG 4.24Å
56A90.3Very high91.1Very high23 Ų2341.7 Ų41.719%0.1923%0.234CC..Hα-helixtrans-68.5-35.9178.400000112.9L14 D52 N53 D54 I60L14-A56 HydrophobicContact CD1-CB 3.77Å; L14-A56 HydrophobicContact CD2-CB 3.96Å; D52-A56 WeakPolarHBondContact O-CB 3.33Å; D52-A56 PolarHBondContact O-N 3.24Å; N53-A56 PolarHBondContact O-N 2.91Å; D54-A56 VanDerWaalsContact C-N 3.34Å; D54-A56 PolarHBondContact O-N 3.18Å; A56-I60 WeakPolarHBondContact O-CB 3.46Å; A56-I60 WeakPolarHBondContact O-CD1 3.35Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.01Å; A56-I60 VanDerWaalsContact O-N 3.15Å
57V91.4Very high91.3Very high0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-61.9-47.3171.91640000110.5V8 L9 L14 N53 D54 I60 C61V8-V57 HydrophobicContact CG1-CG1 4.01Å; L9-V57 HydrophobicContact CD2-CG1 4Å; L14-V57 HydrophobicContact CB-CG2 3.82Å; L14-V57 HydrophobicContact CD1-CG2 4.03Å; L14-V57 HydrophobicContact CG-CG2 4.5Å; N53-V57 WeakPolarHBondContact O-CG2 3.29Å; N53-V57 PolarHBondContact O-N 2.88Å; D54-V57 PolarHBondContact O-N 3.32Å; V57-I60 PolarHBondContact O-N 3.31Å; V57-C61 WeakPolarHBondContact O-CB 3.42Å; V57-C61 PolarHBondContact O-N 3.31Å; V57-C61 PolarHBondContact O-SG 3.29Å
58V94.4Very high91.3Very high0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-64.1-49.5179.5165.80000111.8I39 I42 Y48 D54 Q55 I60 C61 I62 I109I39-V58 HydrophobicContact CG2-CG1 3.73Å; I39-V58 HydrophobicContact CG2-CG2 4.17Å; I42-V58 HydrophobicContact CB-CG2 4.31Å; I42-V58 HydrophobicContact CG2-CG2 3.79Å; Y48-V58 HydrophobicContact CE2-CB 4.3Å; Y48-V58 HydrophobicContact CE2-CG2 3.96Å; Y48-V58 WeakPolarHBondContact OH-CG1 3.22Å; D54-V58 WeakPolarHBondContact O-CB 3.31Å; D54-V58 VanDerWaalsContact O-CG2 3.3Å; D54-V58 WeakPolarHBondContact O-CG2 3.44Å; D54-V58 PolarHBondContact O-N 3.36Å; Q55-V58 PolarHBondContact O-N 2.9Å; V58-I60 VanDerWaalsContact C-N 3.29Å; V58-I60 PolarHBondContact O-N 3.18Å; V58-C61 PolarHBondContact O-N 3.12Å; V58-I62 HydrophobicContact CG1-CD1 3.57Å; V58-I62 HydrophobicContact CG1-CG1 4.25Å; V58-I62 WeakPolarHBondContact O-CG1 3.43Å; V58-I62 PolarHBondContact O-N 3.41Å; V58-I109 HydrophobicContact CG1-CD1 3.87Å; V58-I109 HydrophobicContact CG1-CG1 3.9Å
59E92.5Very high91.4Very high98 Ų9834.3 Ų34.346%0.45819%0.189SC..Hα-helixtrans-53.6-46.9176.5-174.6-162.3121.700111.3Q55 T63Q55-E59 WeakPolarHBondContact O-CB 3.45Å; Q55-E59 PolarHBondContact O-N 2.97Å; E59-T63 WeakPolarHBondContact O-CB 3.39Å; E59-T63 PolarHBondContact O-N 3.03Å; E59-T63 PolarHBondContact O-OG1 3.02Å
60I89.2Confident91.5Very high18 Ų1834.6 Ų34.69%0.09218%0.183CC..Hα-helixtrans-65.3-44.4179.8-72.5169.3000111.5L14 A17 L20 F21 A56 V57 V58 T63 R64L14-I60 HydrophobicContact CD1-CD1 3.84Å; A17-I60 HydrophobicContact CB-CB 4.31Å; A17-I60 HydrophobicContact CB-CD1 3.89Å; A17-I60 HydrophobicContact CB-CG2 3.75Å; A17-I60 VanDerWaalsContact O-CG2 3.29Å; A17-I60 WeakPolarHBondContact O-CG2 3.45Å; L20-I60 HydrophobicContact CD1-CG2 4.48Å; F21-I60 HydrophobicContact CE2-CG2 3.85Å; F21-I60 HydrophobicContact CZ-CG2 4.41Å; A56-I60 WeakPolarHBondContact O-CB 3.46Å; A56-I60 WeakPolarHBondContact O-CD1 3.35Å; A56-I60 WeakPolarHBondContact O-CG1 3.46Å; A56-I60 PolarHBondContact O-N 3.01Å; A56-I60 VanDerWaalsContact O-N 3.15Å; V57-I60 PolarHBondContact O-N 3.31Å; V58-I60 VanDerWaalsContact C-N 3.29Å; V58-I60 PolarHBondContact O-N 3.18Å; I60-T63 WeakPolarHBondContact O-CB 3.32Å; I60-T63 PolarHBondContact O-N 2.88Å; I60-R64 PolarHBondContact O-N 3.08Å
61C93.9Very high91.7Very high0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-69.6-42.7-178-64.90000111.8F5 L9 I39 V57 V58 T63 R64 I65F5-C61 HydrophobicContact CE1-CB 4.11Å; L9-C61 HydrophobicContact CD2-CB 3.96Å; I39-C61 HydrophobicContact CD1-CB 3.7Å; I39-C61 HydrophobicContact CG1-CB 4.3Å; V57-C61 WeakPolarHBondContact O-CB 3.42Å; V57-C61 PolarHBondContact O-N 3.31Å; V57-C61 PolarHBondContact O-SG 3.29Å; V58-C61 PolarHBondContact O-N 3.12Å; C61-T63 VanDerWaalsContact C-N 3.32Å; C61-T63 PolarHBondContact O-N 3.09Å; C61-R64 PolarHBondContact O-N 3.41Å; C61-R64 VanDerWaalsContact O-N 3.16Å; C61-I65 HydrophobicContact CB-CD1 4.5Å; C61-I65 WeakPolarHBondContact O-CB 3.4Å; C61-I65 WeakPolarHBondContact O-CD1 3.42Å; C61-I65 WeakPolarHBondContact O-CG1 3.45Å; C61-I65 PolarHBondContact O-N 3.37Å
62I94.9Very high91.7Very high1 Ų134.4 Ų34.41%0.00518%0.176CC..Hα-helixtrans-58.4-44.9172.7-66.7172.3000110.4I39 V58 R64 I65 T66 L85 I109 D112I39-I62 HydrophobicContact CD1-CG1 4.11Å; I39-I62 HydrophobicContact CG2-CD1 4.14Å; I39-I62 HydrophobicContact CG2-CG1 4.14Å; V58-I62 HydrophobicContact CG1-CD1 3.57Å; V58-I62 HydrophobicContact CG1-CG1 4.25Å; V58-I62 WeakPolarHBondContact O-CG1 3.43Å; V58-I62 PolarHBondContact O-N 3.41Å; I62-R64 VanDerWaalsContact C-N 3.3Å; I62-R64 PolarHBondContact O-N 2.98Å; I62-I65 PolarHBondContact O-N 3.35Å; I62-T66 HydrophobicContact CG2-CG2 4.01Å; I62-T66 WeakPolarHBondContact O-CB 3.31Å; I62-T66 WeakPolarHBondContact O-CG2 3.46Å; I62-T66 PolarHBondContact O-N 3.28Å; I62-T66 PolarHBondContact O-OG1 2.85Å; I62-L85 HydrophobicContact CD1-CD2 4.5Å; I62-I109 HydrophobicContact CD1-CB 4.13Å; I62-I109 HydrophobicContact CD1-CG1 3.8Å; I62-I109 HydrophobicContact CD1-CG2 3.8Å; I62-D112 HydrophobicContact CG2-CB 3.78Å
63T92.3Very high91.7Very high46 Ų4630.6 Ų30.628%0.28217%0.167SC..Hα-helixtrans-58.3-40.6176.7-59.60000112.2F21 E59 I60 C61 T66 T67F21-T63 HydrophobicContact CE1-CG2 4.16Å; F21-T63 HydrophobicContact CZ-CG2 4.02Å; E59-T63 WeakPolarHBondContact O-CB 3.39Å; E59-T63 PolarHBondContact O-N 3.03Å; E59-T63 PolarHBondContact O-OG1 3.02Å; I60-T63 WeakPolarHBondContact O-CB 3.32Å; I60-T63 PolarHBondContact O-N 2.88Å; C61-T63 VanDerWaalsContact C-N 3.32Å; C61-T63 PolarHBondContact O-N 3.09Å; T63-T66 PolarHBondContact O-OG1 2.93Å; T63-T67 VanDerWaalsContact O-CB 3.31Å; T63-T67 WeakPolarHBondContact O-CB 3.35Å; T63-T67 PolarHBondContact O-N 2.93Å; T63-T67 PolarHBondContact O-OG1 2.96Å
64R93.2Very high91.7Very high9 Ų928.1 Ų28.13%0.03415%0.154CC..Hα-helixtrans-72.5-44.3178.6-173.371.9-166.794-12.8112.1F5 L20 F21 L23 D25 I28 I60 C61 I62 T67 A68F5-R64 HydrophobicContact CE2-CG 4.47Å; F5-R64 HydrophobicContact CZ-CB 4.13Å; F5-R64 HydrophobicContact CZ-CG 3.85Å; L20-R64 HydrophobicContact CB-CG 4.13Å; L20-R64 WeakPolarHBondContact O-CD 3.33Å; L20-R64 PolarHBondContact O-NE 3.3Å; F21-R64 HydrophobicContact CE1-CB 4.19Å; F21-R64 HydrophobicContact CZ-CB 4.25Å; L23-R64 PolarHBondContact O-NH2 2.94Å; D25-R64 IonicContact OD1-CZ 2.78Å; D25-R64 IonicContact OD1-NH1 3.98Å; D25-R64 PolarHBondContact OD1-NH1 3.11Å; D25-R64 IonicContact OD1-NH2 3.41Å; D25-R64 PolarHBondContact OD1-NH2 3.42Å; I28-R64 HydrophobicContact CD1-CG 4.18Å; I60-R64 PolarHBondContact O-N 3.08Å; C61-R64 PolarHBondContact O-N 3.41Å; C61-R64 VanDerWaalsContact O-N 3.16Å; I62-R64 VanDerWaalsContact C-N 3.3Å; I62-R64 PolarHBondContact O-N 2.98Å; R64-T67 WeakPolarHBondContact O-CB 3.41Å; R64-T67 PolarHBondContact O-N 2.9Å; R64-A68 PolarHBondContact O-N 3.49Å
65I94.7Very high91.7Very high0 Ų028.1 Ų28.10%015%0.154CC..Hα-helixtrans-65-51.3-178.6-66.9161.2000110.6F5 L32 A35 L36 I39 C61 I62 T67 A68 I69F5-I65 HydrophobicContact CE1-CD1 4.08Å; F5-I65 HydrophobicContact CE1-CG1 3.87Å; F5-I65 HydrophobicContact CZ-CG1 3.86Å; L32-I65 HydrophobicContact CB-CG2 4.17Å; L32-I65 HydrophobicContact CD2-CB 4.41Å; L32-I65 HydrophobicContact CD2-CG1 4.01Å; L32-I65 HydrophobicContact CD2-CG2 4.28Å; A35-I65 HydrophobicContact CB-CD1 3.79Å; L36-I65 HydrophobicContact CD1-CG2 4.1Å; L36-I65 HydrophobicContact CD2-CD1 4.27Å; L36-I65 HydrophobicContact CD2-CG2 4Å; L36-I65 HydrophobicContact CG-CD1 4.33Å; L36-I65 HydrophobicContact CG-CG2 4.02Å; I39-I65 HydrophobicContact CD1-CD1 3.42Å; I39-I65 VanDerWaalsContact CD1-CD1 3.42Å; C61-I65 HydrophobicContact CB-CD1 4.5Å; C61-I65 WeakPolarHBondContact O-CB 3.4Å; C61-I65 WeakPolarHBondContact O-CD1 3.42Å; C61-I65 WeakPolarHBondContact O-CG1 3.45Å; C61-I65 PolarHBondContact O-N 3.37Å; I62-I65 PolarHBondContact O-N 3.35Å; I65-T67 PolarHBondContact O-N 3.23Å; I65-A68 PolarHBondContact O-N 2.83Å; I65-A68 VanDerWaalsContact O-N 3.11Å; I65-I69 HydrophobicContact CG2-CD1 3.76Å; I65-I69 HydrophobicContact CG2-CG1 4.35Å; I65-I69 WeakPolarHBondContact O-CG1 3.4Å; I65-I69 PolarHBondContact O-N 3.24Å
66T92.9Very high91.7Very high14 Ų1431.5 Ų31.59%0.08617%0.17CC..Hα-helixtrans-64.2-22.3177.956.40000113.1I62 T63 R70 C116I62-T66 HydrophobicContact CG2-CG2 4.01Å; I62-T66 WeakPolarHBondContact O-CB 3.31Å; I62-T66 WeakPolarHBondContact O-CG2 3.46Å; I62-T66 PolarHBondContact O-N 3.28Å; I62-T66 PolarHBondContact O-OG1 2.85Å; T63-T66 PolarHBondContact O-OG1 2.93Å; T66-R70 WeakPolarHBondContact O-CB 3.42Å; T66-R70 PolarHBondContact O-N 3.09Å; T66-R70 PolarHBondContact O-NH1 3.34Å; T66-C116 HydrophobicContact CG2-CB 3.88Å
67T91.4Very high91.7Very high31 Ų3138.1 Ų38.119%0.1919%0.191CC..Hα-helixtrans-74.3-52.7168.1-69.50000111.6T63 R64 I65 I69 R70 E71T63-T67 VanDerWaalsContact O-CB 3.31Å; T63-T67 WeakPolarHBondContact O-CB 3.35Å; T63-T67 PolarHBondContact O-N 2.93Å; T63-T67 PolarHBondContact O-OG1 2.96Å; R64-T67 WeakPolarHBondContact O-CB 3.41Å; R64-T67 PolarHBondContact O-N 2.9Å; I65-T67 PolarHBondContact O-N 3.23Å; T67-I69 VanDerWaalsContact C-N 3.31Å; T67-I69 PolarHBondContact O-N 3.23Å; T67-R70 WeakPolarHBondContact O-CB 3.34Å; T67-R70 PolarHBondContact O-N 3.47Å; T67-R70 PolarHBondContact OG1-NH2 2.66Å; T67-E71 HydrophobicContact CG2-CG 4.2Å; T67-E71 WeakPolarHBondContact O-CG 3.41Å; T67-E71 PolarHBondContact O-N 3.16Å
68A91.2Very high91.8Very high0 Ų038.5 Ų38.50%019%0.192CC..Hα-helixtrans-57.2-43.6179.600000112.3D25 I28 L32 R64 I65 R70 E71 T72D25-A68 HydrophobicContact CB-CB 4.3Å; D25-A68 WeakPolarHBondContact OD1-CA 3.39Å; I28-A68 HydrophobicContact CD1-CB 3.72Å; I28-A68 HydrophobicContact CG1-CB 4.06Å; L32-A68 HydrophobicContact CD1-CB 3.76Å; L32-A68 HydrophobicContact CD2-CB 4.27Å; R64-A68 PolarHBondContact O-N 3.49Å; I65-A68 PolarHBondContact O-N 2.83Å; I65-A68 VanDerWaalsContact O-N 3.11Å; A68-R70 VanDerWaalsContact C-N 3.27Å; A68-R70 PolarHBondContact O-N 2.88Å; A68-E71 PolarHBondContact O-N 3.35Å; A68-T72 WeakPolarHBondContact O-CB 3.21Å; A68-T72 WeakPolarHBondContact O-CG2 3.44Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.42Å
69I91.9Very high91.8Very high1 Ų138.9 Ų38.91%0.00520%0.195CC..Hα-helixtrans-57.9-38.3174.6-68.4173.5000112.1L32 I65 T67 G73 S74 I75 H78L32-I69 HydrophobicContact CD1-CG1 3.72Å; I65-I69 HydrophobicContact CG2-CD1 3.76Å; I65-I69 HydrophobicContact CG2-CG1 4.35Å; I65-I69 WeakPolarHBondContact O-CG1 3.4Å; I65-I69 PolarHBondContact O-N 3.24Å; T67-I69 VanDerWaalsContact C-N 3.31Å; T67-I69 PolarHBondContact O-N 3.23Å; I69-G73 CarbonylContact O-C 3.53Å; I69-G73 WeakPolarHBondContact O-CA 3.21Å; I69-G73 PolarHBondContact O-N 3.5Å; I69-S74 PolarHBondContact O-N 3.18Å; I69-I75 HydrophobicContact CG2-CB 3.81Å; I69-I75 HydrophobicContact CG2-CD1 3.69Å; I69-I75 HydrophobicContact CG2-CG1 4.34Å; I69-H78 HydrophobicContact CD1-CB 3.92Å; I69-H78 HydrophobicContact CG1-CB 4.45Å
70R89.8Confident91.9Very high98 Ų9838.6 Ų38.637%0.3720%0.2SC..Hα-helixtrans-75.2-44.9-178.5-179.7-174.762.8-107.5-5.1112.2T66 T67 A68 Q119T66-R70 WeakPolarHBondContact O-CB 3.42Å; T66-R70 PolarHBondContact O-N 3.09Å; T66-R70 PolarHBondContact O-NH1 3.34Å; T67-R70 WeakPolarHBondContact O-CB 3.34Å; T67-R70 PolarHBondContact O-N 3.47Å; T67-R70 PolarHBondContact OG1-NH2 2.66Å; A68-R70 VanDerWaalsContact C-N 3.27Å; A68-R70 PolarHBondContact O-N 2.88Å; R70-Q119 VanDerWaalsContact CD-OE1 3.32Å
71E90Very high92.1Very high112 Ų11238 Ų3852%0.52320%0.198SC..Hα-helixtrans-74.9-31.6-177.8-49.5-47.7145.600112.1T67 A68T67-E71 HydrophobicContact CG2-CG 4.2Å; T67-E71 WeakPolarHBondContact O-CG 3.41Å; T67-E71 PolarHBondContact O-N 3.16Å; A68-E71 PolarHBondContact O-N 3.35Å
72T89.5Confident92.2Very high42 Ų4238.1 Ų38.126%0.25820%0.198SC..Hα-helixtrans-82.6-20.6172.557.30000113.8D25 E29 A68 S74D25-T72 HydrophobicContact CB-CG2 3.91Å; E29-T72 HydrophobicContact CG-CG2 4.41Å; A68-T72 WeakPolarHBondContact O-CB 3.21Å; A68-T72 WeakPolarHBondContact O-CG2 3.44Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.42Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.23Å; T72-S74 WeakPolarHBondContact OG1-CB 3.44Å; T72-S74 PolarHBondContact OG1-N 3.22Å; T72-S74 PolarHBondContact OG1-OG 3.16Å
73G88.1Confident92.2Very high49 Ų4938.5 Ų38.551%0.50520%0.201SC..  trans72.913.1-173.300000114.5I69 I75I69-G73 CarbonylContact O-C 3.53Å; I69-G73 WeakPolarHBondContact O-CA 3.21Å; I69-G73 PolarHBondContact O-N 3.5Å; G73-I75 PolarHBondContact O-N 2.87Å; G73-I75 VanDerWaalsContact O-N 3.07Å
74S91.1Very high92.3Very high8 Ų837.2 Ų37.26%0.05620%0.197CC..  trans-76.912.2-168.361.80000116E29 I69 T72 E76 R77 H78E29-S74 WeakPolarHBondContact OE1-CB 3.32Å; I69-S74 PolarHBondContact O-N 3.18Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.23Å; T72-S74 WeakPolarHBondContact OG1-CB 3.44Å; T72-S74 PolarHBondContact OG1-N 3.22Å; T72-S74 PolarHBondContact OG1-OG 3.16Å; S74-E76 PolarHBondContact O-N 2.8Å; S74-R77 WeakPolarHBondContact O-CB 3.35Å; S74-R77 PolarHBondContact O-N 3.41Å; S74-H78 PolarHBondContact O-CD2 3.39Å; S74-H78 PolarHBondContact OG-CD2 3.01Å
75I91.4Very high92.5Very high3 Ų336.9 Ų36.92%0.01520%0.196CC..Hα-helixtrans-49.1-38.6-169.6-173.664.8000114.3I69 G73 R77 H78 S79 L82 N120 V126I69-I75 HydrophobicContact CG2-CB 3.81Å; I69-I75 HydrophobicContact CG2-CD1 3.69Å; I69-I75 HydrophobicContact CG2-CG1 4.34Å; G73-I75 PolarHBondContact O-N 2.87Å; G73-I75 VanDerWaalsContact O-N 3.07Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.32Å; I75-H78 PolarHBondContact O-N 3.47Å; I75-S79 WeakPolarHBondContact O-CA 3.37Å; I75-S79 VanDerWaalsContact O-CB 3.29Å; I75-S79 WeakPolarHBondContact O-CB 3.5Å; I75-S79 PolarHBondContact O-N 3.08Å; I75-L82 HydrophobicContact CD1-CD2 3.67Å; I75-N120 HydrophobicContact CB-CB 4.42Å; I75-N120 HydrophobicContact CG1-CB 3.89Å; I75-N120 HydrophobicContact CG2-CB 4.11Å; I75-V126 HydrophobicContact CG1-CG1 4.37Å; I75-V126 HydrophobicContact CG1-CG2 3.9Å; I75-V126 HydrophobicContact CG2-CG2 4.29Å
76E90.9Very high92.5Very high109 Ų10937 Ų3751%0.50920%0.196SC..Hα-helixtrans-62.6-39.3-179.4-59.4-161.812300112.1S74 H78 S79 S125 V126S74-E76 PolarHBondContact O-N 2.8Å; E76-H78 VanDerWaalsContact C-N 3.32Å; E76-H78 PolarHBondContact O-N 2.92Å; E76-S79 PolarHBondContact O-OG 2.87Å; E76-S125 WeakPolarHBondContact OE1-CB 3.49Å; E76-S125 PolarHBondContact OE1-OG 3.1Å; E76-V126 HydrophobicContact CG-CG2 4.43Å
77R91.5Very high92.5Very high162 Ų16239.6 Ų39.661%0.61121%0.207SC*.Hα-helixtrans-65.1-34-179.1-61.9-178178.9169.39.7112.9E29 S74 I75E29-R77 IonicContact OE1-CZ 2.66Å; E29-R77 IonicContact OE1-NE 2.7Å; E29-R77 IonicContact OE1-NH1 3.77Å; E29-R77 PolarHBondContact OE1-NH1 3.39Å; S74-R77 WeakPolarHBondContact O-CB 3.35Å; S74-R77 PolarHBondContact O-N 3.41Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.32Å
78H94.1Very high92.7Very high7 Ų738.1 Ų38.13%0.03220%0.198CC..Hα-helixtrans-105.6-2.4-174.5-52.2-61.1000113.1E29 S33 I69 S74 I75 E76 T80 A81 L82E29-H78 PolarHBondContact O-CE1 2.74Å; E29-H78 PolarHBondContact O-NE2 3.4Å; S33-H78 PolarHBondContact OG-ND1 3.15Å; I69-H78 HydrophobicContact CD1-CB 3.92Å; I69-H78 HydrophobicContact CG1-CB 4.45Å; S74-H78 PolarHBondContact O-CD2 3.39Å; S74-H78 PolarHBondContact OG-CD2 3.01Å; I75-H78 PolarHBondContact O-N 3.47Å; E76-H78 VanDerWaalsContact C-N 3.32Å; E76-H78 PolarHBondContact O-N 2.92Å; H78-T80 VanDerWaalsContact C-N 3.29Å; H78-T80 PolarHBondContact O-N 3Å; H78-A81 PolarHBondContact O-N 2.95Å; H78-L82 VanDerWaalsContact O-CB 3.31Å; H78-L82 WeakPolarHBondContact O-CB 3.5Å; H78-L82 PolarHBondContact O-N 3.05Å
79S92.4Very high92.7Very high8 Ų838.1 Ų38.16%0.05620%0.198CC..Hα-helixtrans-55.7-38.3-174.760.10000113.9I75 E76 V83I75-S79 WeakPolarHBondContact O-CA 3.37Å; I75-S79 VanDerWaalsContact O-CB 3.29Å; I75-S79 WeakPolarHBondContact O-CB 3.5Å; I75-S79 PolarHBondContact O-N 3.08Å; E76-S79 PolarHBondContact O-OG 2.87Å; S79-V83 VanDerWaalsContact O-CB 3.32Å; S79-V83 WeakPolarHBondContact O-CB 3.41Å; S79-V83 VanDerWaalsContact O-CG2 3.28Å; S79-V83 WeakPolarHBondContact O-CG2 3.43Å; S79-V83 PolarHBondContact O-N 2.7Å
80T94.6Very high92.6Very high92 Ų9239.6 Ų39.656%0.56421%0.206SC*.Hα-helixtrans-65.6-50179.248.20000112.5H78 G84 L129H78-T80 VanDerWaalsContact C-N 3.29Å; H78-T80 PolarHBondContact O-N 3Å; T80-G84 PolarHBondContact O-N 3.05Å; T80-L129 HydrophobicContact CG2-CD1 3.78Å
81A95.1Very high92.5Very high7 Ų741.6 Ų41.66%0.05822%0.22CC..Hα-helixtrans-68.3-38.3177.300000111.6L36 H78 G84 L85L36-A81 HydrophobicContact CB-CB 3.99Å; L36-A81 HydrophobicContact CD1-CB 4.14Å; H78-A81 PolarHBondContact O-N 2.95Å; A81-G84 PolarHBondContact O-N 3.43Å; A81-L85 PolarHBondContact O-N 3.35Å
82L95.3Very high92.4Very high1 Ų138.9 Ų38.91%0.00521%0.207CC..Hα-helixtrans-64.5-46.1178.5-173.566.7000111.9L36 I75 H78 W86 I113 I117L36-L82 HydrophobicContact CD1-CB 4.02Å; L36-L82 HydrophobicContact CD1-CD1 4.2Å; L36-L82 HydrophobicContact CD2-CD1 3.91Å; I75-L82 HydrophobicContact CD1-CD2 3.67Å; H78-L82 VanDerWaalsContact O-CB 3.31Å; H78-L82 WeakPolarHBondContact O-CB 3.5Å; H78-L82 PolarHBondContact O-N 3.05Å; L82-W86 WeakPolarHBondContact O-CB 3.12Å; L82-W86 PolarHBondContact O-N 3.22Å; L82-W86 VanDerWaalsContact O-N 3.09Å; L82-I113 HydrophobicContact CD1-CB 4.4Å; L82-I113 HydrophobicContact CD1-CG1 4.01Å; L82-I113 HydrophobicContact CD1-CG2 3.73Å; L82-I113 HydrophobicContact CD2-CG2 4.45Å; L82-I113 HydrophobicContact CG-CG2 3.78Å; L82-I117 HydrophobicContact CD2-CG1 4.22Å
83V94.9Very high92.1Very high10 Ų1041 Ų416%0.06122%0.216CC..Hα-helixtrans-70.1-34174173.50000111.1S79 W86 E87 I117 L129 A130 V133S79-V83 VanDerWaalsContact O-CB 3.32Å; S79-V83 WeakPolarHBondContact O-CB 3.41Å; S79-V83 VanDerWaalsContact O-CG2 3.28Å; S79-V83 WeakPolarHBondContact O-CG2 3.43Å; S79-V83 PolarHBondContact O-N 2.7Å; V83-W86 WeakPolarHBondContact O-CB 3.47Å; V83-W86 PolarHBondContact O-N 3.1Å; V83-E87 WeakPolarHBondContact O-CB 3.29Å; V83-E87 PolarHBondContact O-N 2.91Å; V83-I117 HydrophobicContact CG2-CD1 4.12Å; V83-L129 HydrophobicContact CB-CB 4.45Å; V83-L129 HydrophobicContact CG1-CB 4.31Å; V83-L129 HydrophobicContact CG2-CB 4.15Å; V83-A130 HydrophobicContact CG2-CB 4.23Å; V83-V133 HydrophobicContact CG1-CB 4.41Å; V83-V133 HydrophobicContact CG1-CG2 3.73Å
84G95.2Very high91.9Very high19 Ų1938.9 Ų38.920%0.19619%0.194CC..Hα-helixtrans-64.8-36.617600000114K40 T80 A81 S88K40-G84 PolarHBondContact NZ-O 2.78Å; T80-G84 PolarHBondContact O-N 3.05Å; A81-G84 PolarHBondContact O-N 3.43Å; G84-S88 PolarHBondContact O-N 3.16Å; G84-S88 PolarHBondContact O-OG 3.35Å; G84-S88 VanDerWaalsContact O-OG 3.11Å
85L95.7Very high91.3Very high1 Ų141 Ų411%0.00521%0.206CC..Hα-helixtrans-70.2-41.5170.1172.561.2000111.4L36 I39 K40 I62 A81 E87 S88 C89 I109 I113L36-L85 HydrophobicContact CD2-CD2 3.72Å; I39-L85 HydrophobicContact CB-CD2 4.27Å; I39-L85 HydrophobicContact CG2-CD1 3.92Å; I39-L85 HydrophobicContact CG2-CD2 3.64Å; I39-L85 HydrophobicContact CG2-CG 4.47Å; K40-L85 HydrophobicContact CB-CD1 3.82Å; K40-L85 HydrophobicContact CG-CD1 4.5Å; I62-L85 HydrophobicContact CD1-CD2 4.5Å; A81-L85 PolarHBondContact O-N 3.35Å; L85-E87 PolarHBondContact O-N 3.46Å; L85-S88 WeakPolarHBondContact CA-OG 3.36Å; L85-S88 PolarHBondContact O-N 2.63Å; L85-S88 PolarHBondContact O-OG 3.29Å; L85-C89 PolarHBondContact O-SG 2.97Å; L85-I109 HydrophobicContact CD1-CG2 4.37Å; L85-I109 HydrophobicContact CG-CG2 4.28Å; L85-I113 HydrophobicContact CB-CD1 4.26Å; L85-I113 HydrophobicContact CD2-CD1 3.65Å; L85-I113 HydrophobicContact CG-CD1 3.63Å
86W94.7Very high90.4Very high2 Ų243.6 Ų43.61%0.00822%0.224CC..Hα-helixtrans-61.2-43.1177.4-164.238.7000112.3L82 V83 C89 A110 I113 T114 I117 A130 V133 A134 F137 M149L82-W86 WeakPolarHBondContact O-CB 3.12Å; L82-W86 PolarHBondContact O-N 3.22Å; L82-W86 VanDerWaalsContact O-N 3.09Å; V83-W86 WeakPolarHBondContact O-CB 3.47Å; V83-W86 PolarHBondContact O-N 3.1Å; W86-C89 WeakPolarHBondContact O-CB 3.36Å; W86-C89 PolarHBondContact O-N 3.28Å; W86-A110 PolarHBondContact NE1-O 3.33Å; W86-I113 HydrophobicContact CB-CD1 4.35Å; W86-I113 HydrophobicContact CB-CG2 3.88Å; W86-I113 HydrophobicContact CD2-CG2 4.43Å; W86-I113 HydrophobicContact CG-CB 4.42Å; W86-I113 HydrophobicContact CG-CG2 3.85Å; W86-T114 PolarHBondContact NE1-OG1 3.31Å; W86-I117 HydrophobicContact CD2-CD1 3.81Å; W86-I117 HydrophobicContact CE3-CD1 3.48Å; W86-I117 VanDerWaalsContact CE3-CD1 3.48Å; W86-I117 HydrophobicContact CG-CD1 4.46Å; W86-I117 HydrophobicContact CH2-CD1 4.06Å; W86-I117 HydrophobicContact CZ2-CD1 4.36Å; W86-I117 HydrophobicContact CZ3-CD1 3.64Å; W86-A130 HydrophobicContact CZ3-CB 3.94Å; W86-A130 WeakPolarHBondContact CZ3-O 3.33Å; W86-V133 HydrophobicContact CD2-CG1 3.91Å; W86-V133 HydrophobicContact CE3-CB 3.84Å; W86-V133 HydrophobicContact CE3-CG1 3.46Å; W86-V133 VanDerWaalsContact CE3-CG1 3.46Å; W86-V133 HydrophobicContact CG-CG1 4.42Å; W86-V133 HydrophobicContact CZ3-CB 3.97Å; W86-V133 HydrophobicContact CZ3-CG1 3.98Å; W86-A134 HydrophobicContact CH2-CB 3.81Å; W86-A134 HydrophobicContact CZ3-CB 4.34Å; W86-F137 AromaticContact CD1-CE2 3.56Å; W86-F137 AromaticContact CD1-CZ 3.67Å; W86-F137 HydrophobicContact CD2-CD2 4.34Å; W86-F137 AromaticContact CD2-CE2 3.77Å; W86-F137 HydrophobicContact CD2-CE2 3.77Å; W86-F137 AromaticContact CE2-CD2 3.93Å; W86-F137 AromaticContact CE2-CE2 3.6Å; W86-F137 AromaticContact CG-CE2 3.8Å; W86-F137 HydrophobicContact CG-CE2 3.8Å; W86-F137 HydrophobicContact CG-CZ 4.28Å; W86-F137 HydrophobicContact CZ2-CD2 4.18Å; W86-F137 HydrophobicContact CZ2-CE2 4.31Å; W86-F137 AromaticContact NE1-CE2 3.42Å; W86-F137 AromaticContact NE1-CZ 3.68Å; W86-F137 WeakPolarHBondContact O-CE2 3.43Å; W86-F137 VanDerWaalsContact O-CZ 3.31Å; W86-F137 WeakPolarHBondContact O-CZ 3.41Å; W86-M149 HydrophobicContact CH2-SD 3.97Å; W86-M149 HydrophobicContact CZ2-CE 3.84Å; W86-M149 HydrophobicContact CZ2-SD 3.56Å; W86-M149 VanDerWaalsContact CZ2-SD 3.56Å
87E94.1Very high89Confident69 Ų6944 Ų4432%0.32223%0.225SC..Hα-helixtrans-66.4-38.3179.5-175.1165.3-133.700112.4V83 L85 C89 L90 V133 R136V83-E87 WeakPolarHBondContact O-CB 3.29Å; V83-E87 PolarHBondContact O-N 2.91Å; L85-E87 PolarHBondContact O-N 3.46Å; E87-C89 PolarHBondContact O-N 3.22Å; E87-L90 HydrophobicContact CG-CD1 4.39Å; E87-L90 VanDerWaalsContact O-CB 3.24Å; E87-L90 WeakPolarHBondContact O-CB 3.43Å; E87-L90 PolarHBondContact O-N 3.21Å; E87-V133 HydrophobicContact CB-CG1 4.05Å; E87-V133 HydrophobicContact CB-CG2 4.11Å; E87-V133 HydrophobicContact CG-CG2 4.29Å; E87-R136 IonicContact OE1-CZ 2.84Å; E87-R136 IonicContact OE1-NH1 3.19Å; E87-R136 PolarHBondContact OE1-NH1 3.24Å
88S94.1Very high87.5Confident1 Ų139.7 Ų39.71%0.00723%0.231CC..Hα-helixtrans-62-24.6175.129.50000113.5K40 G84 L85 L90 E91 H92K40-S88 WeakPolarHBondContact CD-OG 3.48Å; K40-S88 WeakPolarHBondContact CE-OG 3.13Å; K40-S88 PolarHBondContact NZ-OG 3Å; G84-S88 PolarHBondContact O-N 3.16Å; G84-S88 PolarHBondContact O-OG 3.35Å; G84-S88 VanDerWaalsContact O-OG 3.11Å; L85-S88 WeakPolarHBondContact CA-OG 3.36Å; L85-S88 PolarHBondContact O-N 2.63Å; L85-S88 PolarHBondContact O-OG 3.29Å; S88-L90 PolarHBondContact O-N 3.24Å; S88-E91 WeakPolarHBondContact O-CB 3.28Å; S88-E91 PolarHBondContact O-N 2.76Å; S88-H92 PolarHBondContact O-CD2 3.41Å; S88-H92 VanDerWaalsContact O-CD2 3.27Å
89C92.3Very high85.4Confident0 Ų049.1 Ų49.10%028%0.275CS..G310 helixtrans-64.3-20173.2-590000113L85 W86 E87 E91 H92 L94 H106 I109 A110 F137L85-C89 PolarHBondContact O-SG 2.97Å; W86-C89 WeakPolarHBondContact O-CB 3.36Å; W86-C89 PolarHBondContact O-N 3.28Å; E87-C89 PolarHBondContact O-N 3.22Å; C89-E91 VanDerWaalsContact C-N 3.3Å; C89-H92 PolarHBondContact O-N 2.92Å; C89-L94 HydrophobicContact CB-CD2 4.36Å; C89-L94 WeakPolarHBondContact O-CD2 3.33Å; C89-H106 HydrophobicContact CB-CB 4.33Å; C89-I109 WeakPolarHBondContact SG-CG2 3.47Å; C89-A110 HydrophobicContact CB-CB 4.17Å; C89-F137 HydrophobicContact CB-CZ 4.12Å
90L89.2Confident83.5Confident32 Ų3252 Ų5217%0.16830%0.295CS..G310 helixtrans-75.9-13.9173.8-64.2165.1000113.7E87 S88 H92 L94 V133 R136 F137E87-L90 HydrophobicContact CG-CD1 4.39Å; E87-L90 VanDerWaalsContact O-CB 3.24Å; E87-L90 WeakPolarHBondContact O-CB 3.43Å; E87-L90 PolarHBondContact O-N 3.21Å; S88-L90 PolarHBondContact O-N 3.24Å; L90-H92 VanDerWaalsContact C-N 3.28Å; L90-L94 HydrophobicContact CD2-CD1 4.13Å; L90-V133 HydrophobicContact CD1-CG1 4Å; L90-R136 HydrophobicContact CD1-CB 3.59Å; L90-R136 HydrophobicContact CD1-CG 4.48Å; L90-R136 HydrophobicContact CD2-CB 4.36Å; L90-F137 HydrophobicContact CD1-CD2 4.11Å; L90-F137 HydrophobicContact CD1-CE2 4.05Å; L90-F137 HydrophobicContact CD2-CB 4.28Å; L90-F137 HydrophobicContact CD2-CD1 3.6Å; L90-F137 HydrophobicContact CD2-CD2 3.83Å; L90-F137 HydrophobicContact CD2-CE1 3.79Å; L90-F137 HydrophobicContact CD2-CE2 3.99Å; L90-F137 HydrophobicContact CD2-CG 3.62Å; L90-F137 HydrophobicContact CD2-CZ 3.97Å; L90-F137 HydrophobicContact CG-CD1 4.41Å; L90-F137 HydrophobicContact CG-CD2 4.07Å; L90-F137 HydrophobicContact CG-CE1 4.19Å; L90-F137 HydrophobicContact CG-CE2 3.82Å; L90-F137 HydrophobicContact CG-CG 4.35Å; L90-F137 HydrophobicContact CG-CZ 3.88Å
91E88.7Confident81.8Confident139 Ų13954.3 Ų54.365%0.6531%0.31SS*.G310 helixtrans-82.6-10.8176.1-59178.9-161.800111.9S88 C89S88-E91 WeakPolarHBondContact O-CB 3.28Å; S88-E91 PolarHBondContact O-N 2.76Å; C89-E91 VanDerWaalsContact C-N 3.3Å
92H87.7Confident80.5Confident55 Ų5560.5 Ų60.526%0.25534%0.337SS..SBendtrans-113.5164.8-178.9-58.5-70.4000111.6S88 C89 L90 L94 H106S88-H92 PolarHBondContact O-CD2 3.41Å; S88-H92 VanDerWaalsContact O-CD2 3.27Å; C89-H92 PolarHBondContact O-N 2.92Å; L90-H92 VanDerWaalsContact C-N 3.28Å; H92-L94 PolarHBondContact O-N 2.94Å; H92-H106 HydrophobicContact CB-CB 4.11Å; H92-H106 AromaticContact CD2-CD2 3.24Å; H92-H106 PolarHBondContact CD2-CD2 3.36Å; H92-H106 AromaticContact CD2-CE1 3.92Å; H92-H106 AromaticContact CD2-CG 3.91Å; H92-H106 AromaticContact CD2-NE2 3.24Å; H92-H106 PolarHBondContact CD2-NE2 3.4Å; H92-H106 AromaticContact CE1-NE2 3.93Å; H92-H106 AromaticContact CG-CD2 3.61Å; H92-H106 AromaticContact CG-CE1 3.62Å; H92-H106 AromaticContact CG-CG 3.86Å; H92-H106 AromaticContact CG-ND1 3.92Å; H92-H106 AromaticContact CG-NE2 3.44Å; H92-H106 AromaticContact ND1-CE1 3.93Å; H92-H106 AromaticContact ND1-NE2 3.87Å; H92-H106 AromaticContact NE2-CD2 3.96Å; H92-H106 AromaticContact NE2-NE2 3.57Å
93N82.7Confident79.8Confident86 Ų8662.8 Ų62.846%0.4635%0.35SS..  trans-77.4116.9-179.8-169.710.1000111.9T95 T104N93-T95 PolarHBondContact ND2-OG1 2.86Å; N93-T95 PolarHBondContact OD1-N 3.32Å; N93-T95 PolarHBondContact OD1-OG1 3.34Å; N93-T104 WeakPolarHBondContact O-CG2 3.32Å; N93-T104 PolarHBondContact O-OG1 3.4Å
94L83.8Confident79.5Confident5 Ų562.7 Ų62.73%0.02635%0.349CS..  trans-92.7-10.4179.1-62.1170.3000113.6C89 L90 H92 H106 A107 F137 N142 L145C89-L94 HydrophobicContact CB-CD2 4.36Å; C89-L94 WeakPolarHBondContact O-CD2 3.33Å; L90-L94 HydrophobicContact CD2-CD1 4.13Å; H92-L94 PolarHBondContact O-N 2.94Å; L94-H106 HydrophobicContact CD2-CB 4.02Å; L94-A107 HydrophobicContact CD2-CB 4.04Å; L94-F137 HydrophobicContact CD1-CD1 3.76Å; L94-F137 HydrophobicContact CD1-CE1 3.48Å; L94-F137 VanDerWaalsContact CD1-CE1 3.48Å; L94-F137 HydrophobicContact CD2-CE1 4.46Å; L94-N142 HydrophobicContact CB-CB 4.24Å; L94-N142 WeakPolarHBondContact O-CB 3.31Å; L94-N142 PolarHBondContact O-ND2 3.01Å; L94-L145 HydrophobicContact CD1-CD1 4.45Å; L94-L145 HydrophobicContact CD2-CD1 4.25Å
95T79.8Confident79.2Confident53 Ų5362.6 Ų62.633%0.32535%0.345SS..SBendtrans-71.1131.2177.6670000110.5N93 T104N93-T95 PolarHBondContact ND2-OG1 2.86Å; N93-T95 PolarHBondContact OD1-N 3.32Å; N93-T95 PolarHBondContact OD1-OG1 3.34Å; T95-T104 VanDerWaalsContact O-CG2 3.32Å; T95-T104 WeakPolarHBondContact O-CG2 3.35Å
96P72.4Confident79Confident58 Ų5862.7 Ų62.738%0.37735%0.346SS..  trans-51.9141.7170.3-2735.7000111.8
97Q61.6Low78.7Confident116 Ų11662.6 Ų62.654%0.54235%0.345SS..  trans-107.3125.2-175.9-61.4-17119.400111.1S100 T104Q97-S100 PolarHBondContact O-OG 3.33Å; Q97-S100 VanDerWaalsContact O-OG 3.09Å; Q97-T104 HydrophobicContact CG-CG2 4.31Å
98G58.2Low78.5Confident72 Ų7263.6 Ų63.674%0.74235%0.348SS*.SBendtrans87.5-169179.100000114.5
99E50.7Low78.5Confident205 Ų20563.8 Ų63.896%0.95835%0.349SS*.SBendtrans-77.2-13.4173.5-62.1-175.8139.900112.4
100S52.2Low78.5Confident68 Ų6863.8 Ų63.848%0.47635%0.349SS..SBendtrans-69.6122.7171.136.40000111.4Q97 E102Q97-S100 PolarHBondContact O-OG 3.33Å; Q97-S100 VanDerWaalsContact O-OG 3.09Å; S100-E102 PolarHBondContact O-N 2.9Å
101T59.5Low78.5Confident141 Ų14164 Ų6487%0.86535%0.354SS*.  trans-77.341176.263.30000112.7
102E68.5Low78.5Confident137 Ų13760 Ų6064%0.6434%0.337SS*.PPolyproline II helixtrans-99.8126.1178.9-64.1-159.6166.700110.8S100S100-E102 PolarHBondContact O-N 2.9Å
103D80.6Confident78.8Confident49 Ų4957.4 Ų57.426%0.26233%0.325SS..PPolyproline II helixtrans-63.9143.8174-78.7-59.3000111.8A107 K108 N142D103-A107 HydrophobicContact CB-CB 3.94Å; D103-K108 HydrophobicContact CB-CG 4.01Å; D103-K108 WeakPolarHBondContact O-CE 3.35Å; D103-K108 PolarHBondContact O-NZ 3.35Å; D103-N142 PolarHBondContact OD1-ND2 3.46Å
104T87.2Confident79.1Confident9 Ų953.5 Ų53.56%0.05530%0.304CS..PPolyproline II helixtrans-63.9157173.768.50000110.7N93 T95 Q97 H106 A107 K108N93-T104 WeakPolarHBondContact O-CG2 3.32Å; N93-T104 PolarHBondContact O-OG1 3.4Å; T95-T104 VanDerWaalsContact O-CG2 3.32Å; T95-T104 WeakPolarHBondContact O-CG2 3.35Å; Q97-T104 HydrophobicContact CG-CG2 4.31Å; T104-H106 PolarHBondContact O-N 3.11Å; T104-A107 WeakPolarHBondContact O-CA 3.39Å; T104-A107 PolarHBondContact O-N 2.91Å; T104-A107 PolarHBondContact OG1-N 3.2Å; T104-K108 PolarHBondContact O-N 2.77Å
105P88.9Confident79.3Confident17 Ų1755.8 Ų55.811%0.1132%0.32CS..Hα-helixtrans-53.6-38.6179.4-2937.8000113.2Y48 L49 Q55 K108 I109Y48-P105 HydrophobicContact CD1-CB 4.21Å; Y48-P105 HydrophobicContact CE1-CB 3.54Å; L49-P105 HydrophobicContact CD2-CG 4.08Å; Q55-P105 VanDerWaalsContact CD-CG 3.48Å; Q55-P105 HydrophobicContact CG-CB 4.13Å; Q55-P105 HydrophobicContact CG-CG 4.24Å; P105-K108 PolarHBondContact O-N 2.91Å; P105-I109 WeakPolarHBondContact O-CG1 3.5Å; P105-I109 PolarHBondContact O-N 3.31Å; P105-I109 VanDerWaalsContact O-N 3.12Å
106H91.3Very high79.8Confident3 Ų353.4 Ų53.41%0.01431%0.306CS..Hα-helixtrans-70.2-33.9174.9-5793.6000113.6S43 Y48 C89 H92 L94 T104 A110S43-H106 PolarHBondContact O-NE2 3.04Å; Y48-H106 AromaticContact CD1-CE1 3.75Å; Y48-H106 AromaticContact CD1-NE2 3.71Å; C89-H106 HydrophobicContact CB-CB 4.33Å; H92-H106 HydrophobicContact CB-CB 4.11Å; H92-H106 AromaticContact CD2-CD2 3.24Å; H92-H106 PolarHBondContact CD2-CD2 3.36Å; H92-H106 AromaticContact CD2-CE1 3.92Å; H92-H106 AromaticContact CD2-CG 3.91Å; H92-H106 AromaticContact CD2-NE2 3.24Å; H92-H106 PolarHBondContact CD2-NE2 3.4Å; H92-H106 AromaticContact CE1-NE2 3.93Å; H92-H106 AromaticContact CG-CD2 3.61Å; H92-H106 AromaticContact CG-CE1 3.62Å; H92-H106 AromaticContact CG-CG 3.86Å; H92-H106 AromaticContact CG-ND1 3.92Å; H92-H106 AromaticContact CG-NE2 3.44Å; H92-H106 AromaticContact ND1-CE1 3.93Å; H92-H106 AromaticContact ND1-NE2 3.87Å; H92-H106 AromaticContact NE2-CD2 3.96Å; H92-H106 AromaticContact NE2-NE2 3.57Å; L94-H106 HydrophobicContact CD2-CB 4.02Å; T104-H106 PolarHBondContact O-N 3.11Å; H106-A110 VanDerWaalsContact O-CB 3.32Å; H106-A110 WeakPolarHBondContact O-CB 3.43Å; H106-A110 PolarHBondContact O-N 3.1Å
107A89.9Confident80.6Confident0 Ų050.7 Ų50.70%029%0.288CS..Hα-helixtrans-68.7-33.8173.800000112.3L94 D103 T104 A110 S111 L145L94-A107 HydrophobicContact CD2-CB 4.04Å; D103-A107 HydrophobicContact CB-CB 3.94Å; T104-A107 WeakPolarHBondContact O-CA 3.39Å; T104-A107 PolarHBondContact O-N 2.91Å; T104-A107 PolarHBondContact OG1-N 3.2Å; A107-A110 PolarHBondContact O-N 3.42Å; A107-S111 WeakPolarHBondContact O-CB 3.32Å; A107-S111 PolarHBondContact O-N 3.05Å; A107-L145 HydrophobicContact CB-CD1 3.99Å
108K89.9Confident81.7Confident89 Ų8947.1 Ų47.139%0.38727%0.272SS..Hα-helixtrans-63.8-52.5171.5-67.1167.9-179.6157.30111.4D103 T104 P105 A110 S111 D112D103-K108 HydrophobicContact CB-CG 4.01Å; D103-K108 WeakPolarHBondContact O-CE 3.35Å; D103-K108 PolarHBondContact O-NZ 3.35Å; T104-K108 PolarHBondContact O-N 2.77Å; P105-K108 PolarHBondContact O-N 2.91Å; K108-A110 VanDerWaalsContact C-N 3.28Å; K108-A110 PolarHBondContact O-N 3.34Å; K108-S111 WeakPolarHBondContact O-CB 3.46Å; K108-S111 PolarHBondContact O-N 2.89Å; K108-S111 VanDerWaalsContact O-N 3.07Å; K108-D112 PolarHBondContact O-N 3.02Å
109I92.8Very high83Confident5 Ų548.7 Ų48.73%0.02626%0.261CS..Hα-helixtrans-50.8-50.1173-66.6168.7000110.5Y48 V58 I62 L85 C89 P105 S111 D112 I113Y48-I109 HydrophobicContact CE1-CD1 4.02Å; V58-I109 HydrophobicContact CG1-CD1 3.87Å; V58-I109 HydrophobicContact CG1-CG1 3.9Å; I62-I109 HydrophobicContact CD1-CB 4.13Å; I62-I109 HydrophobicContact CD1-CG1 3.8Å; I62-I109 HydrophobicContact CD1-CG2 3.8Å; L85-I109 HydrophobicContact CD1-CG2 4.37Å; L85-I109 HydrophobicContact CG-CG2 4.28Å; C89-I109 WeakPolarHBondContact SG-CG2 3.47Å; P105-I109 WeakPolarHBondContact O-CG1 3.5Å; P105-I109 PolarHBondContact O-N 3.31Å; P105-I109 VanDerWaalsContact O-N 3.12Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 2.84Å; I109-D112 PolarHBondContact O-N 2.66Å; I109-I113 HydrophobicContact CG2-CD1 3.64Å; I109-I113 WeakPolarHBondContact O-CG1 3.39Å; I109-I113 PolarHBondContact O-N 3.2Å; I109-I113 VanDerWaalsContact O-N 3.1Å
110A92.3Very high84.6Confident0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-61.6-39.1-179.300000112.4W86 C89 H106 A107 K108 T114 F137 L145W86-A110 PolarHBondContact NE1-O 3.33Å; C89-A110 HydrophobicContact CB-CB 4.17Å; H106-A110 VanDerWaalsContact O-CB 3.32Å; H106-A110 WeakPolarHBondContact O-CB 3.43Å; H106-A110 PolarHBondContact O-N 3.1Å; A107-A110 PolarHBondContact O-N 3.42Å; K108-A110 VanDerWaalsContact C-N 3.28Å; K108-A110 PolarHBondContact O-N 3.34Å; A110-T114 VanDerWaalsContact O-CB 3.24Å; A110-T114 WeakPolarHBondContact O-CB 3.37Å; A110-T114 PolarHBondContact O-N 3.2Å; A110-T114 PolarHBondContact O-OG1 3.45Å; A110-F137 HydrophobicContact CB-CE1 3.64Å; A110-F137 HydrophobicContact CB-CZ 3.74Å; A110-L145 HydrophobicContact CB-CD1 3.97Å; A110-L145 HydrophobicContact CB-CD2 4.16Å
111S89.6Confident86Confident37 Ų3742 Ų4226%0.25922%0.219SC..Hα-helixtrans-67-45.5178.9-159.70000112.4A107 K108 I109 I113 T114 S115A107-S111 WeakPolarHBondContact O-CB 3.32Å; A107-S111 PolarHBondContact O-N 3.05Å; K108-S111 WeakPolarHBondContact O-CB 3.46Å; K108-S111 PolarHBondContact O-N 2.89Å; K108-S111 VanDerWaalsContact O-N 3.07Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 2.84Å; S111-I113 PolarHBondContact O-N 2.97Å; S111-T114 WeakPolarHBondContact O-CB 3.39Å; S111-T114 PolarHBondContact O-N 3.34Å; S111-S115 PolarHBondContact O-N 3.33Å
112D89.4Confident87Confident56 Ų5639.3 Ų39.330%0.29921%0.206SC..Hα-helixtrans-61.9-46.1178.3-74.2-28.8000111.5I62 K108 I109 S115 C116I62-D112 HydrophobicContact CG2-CB 3.78Å; K108-D112 PolarHBondContact O-N 3.02Å; I109-D112 PolarHBondContact O-N 2.66Å; D112-S115 WeakPolarHBondContact O-CB 3.47Å; D112-S115 PolarHBondContact O-N 3.37Å; D112-S115 PolarHBondContact O-OG 3.39Å; D112-C116 PolarHBondContact O-N 2.72Å
113I93.3Very high87.8Confident0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-64.9-42176.6-63.1168.1000111.2L82 L85 W86 I109 S111 S115 C116 I117L82-I113 HydrophobicContact CD1-CB 4.4Å; L82-I113 HydrophobicContact CD1-CG1 4.01Å; L82-I113 HydrophobicContact CD1-CG2 3.73Å; L82-I113 HydrophobicContact CD2-CG2 4.45Å; L82-I113 HydrophobicContact CG-CG2 3.78Å; L85-I113 HydrophobicContact CB-CD1 4.26Å; L85-I113 HydrophobicContact CD2-CD1 3.65Å; L85-I113 HydrophobicContact CG-CD1 3.63Å; W86-I113 HydrophobicContact CB-CD1 4.35Å; W86-I113 HydrophobicContact CB-CG2 3.88Å; W86-I113 HydrophobicContact CD2-CG2 4.43Å; W86-I113 HydrophobicContact CG-CB 4.42Å; W86-I113 HydrophobicContact CG-CG2 3.85Å; I109-I113 HydrophobicContact CG2-CD1 3.64Å; I109-I113 WeakPolarHBondContact O-CG1 3.39Å; I109-I113 PolarHBondContact O-N 3.2Å; I109-I113 VanDerWaalsContact O-N 3.1Å; S111-I113 PolarHBondContact O-N 2.97Å; I113-S115 PolarHBondContact O-N 3.25Å; I113-C116 WeakPolarHBondContact O-CB 3.31Å; I113-C116 PolarHBondContact O-N 3.01Å; I113-I117 HydrophobicContact CG2-CD1 3.73Å; I113-I117 HydrophobicContact CG2-CG1 4.2Å; I113-I117 WeakPolarHBondContact O-CG1 3.35Å; I113-I117 PolarHBondContact O-N 2.91Å
114T89.8Confident88.1Confident4 Ų434.6 Ų34.63%0.02519%0.19CC..Hα-helixtrans-55.1-39.9174.6-60.70000111.2W86 A110 S111 C116 I117 L118 N148 M149W86-T114 PolarHBondContact NE1-OG1 3.31Å; A110-T114 VanDerWaalsContact O-CB 3.24Å; A110-T114 WeakPolarHBondContact O-CB 3.37Å; A110-T114 PolarHBondContact O-N 3.2Å; A110-T114 PolarHBondContact O-OG1 3.45Å; S111-T114 WeakPolarHBondContact O-CB 3.39Å; S111-T114 PolarHBondContact O-N 3.34Å; T114-C116 VanDerWaalsContact C-N 3.31Å; T114-C116 PolarHBondContact O-N 2.89Å; T114-I117 PolarHBondContact O-N 2.79Å; T114-L118 HydrophobicContact CG2-CD1 3.86Å; T114-L118 HydrophobicContact CG2-CG 4.4Å; T114-L118 VanDerWaalsContact O-CB 3.27Å; T114-L118 WeakPolarHBondContact O-CB 3.38Å; T114-L118 WeakPolarHBondContact O-CG 3.38Å; T114-L118 PolarHBondContact O-N 3.28Å; T114-N148 HydrophobicContact CG2-CB 3.99Å; T114-M149 HydrophobicContact CG2-CE 3.7Å; T114-M149 WeakPolarHBondContact OG1-CE 3.43Å
115S87.6Confident88.1Confident52 Ų5236.3 Ų36.336%0.36420%0.203SC..Hα-helixtrans-64.1-34.617886.80000112.9S111 D112 I113 Q119S111-S115 PolarHBondContact O-N 3.33Å; D112-S115 WeakPolarHBondContact O-CB 3.47Å; D112-S115 PolarHBondContact O-N 3.37Å; D112-S115 PolarHBondContact O-OG 3.39Å; I113-S115 PolarHBondContact O-N 3.25Å; S115-Q119 WeakPolarHBondContact O-CG 3.24Å; S115-Q119 PolarHBondContact O-N 3.29Å; S115-Q119 PolarHBondContact O-NE2 3.49Å
116C90.1Very high88.2Confident3 Ų335.6 Ų35.62%0.0220%0.198CC..Hα-helixtrans-74.5-42.8177.7-170.30000111.5T66 D112 I113 T114 Q119 N120T66-C116 HydrophobicContact CG2-CB 3.88Å; D112-C116 PolarHBondContact O-N 2.72Å; I113-C116 WeakPolarHBondContact O-CB 3.31Å; I113-C116 PolarHBondContact O-N 3.01Å; T114-C116 VanDerWaalsContact C-N 3.31Å; T114-C116 PolarHBondContact O-N 2.89Å; C116-Q119 PolarHBondContact O-N 2.98Å; C116-N120 PolarHBondContact O-ND2 3.36Å
117I89.6Confident88.1Confident1 Ų135.5 Ų35.51%0.00520%0.198CC..Hα-helixtrans-65.8-42.2176.3-64.3174.8000111L82 V83 W86 I113 T114 Q119 N120 Y121 A130 Y152L82-I117 HydrophobicContact CD2-CG1 4.22Å; V83-I117 HydrophobicContact CG2-CD1 4.12Å; W86-I117 HydrophobicContact CD2-CD1 3.81Å; W86-I117 HydrophobicContact CE3-CD1 3.48Å; W86-I117 VanDerWaalsContact CE3-CD1 3.48Å; W86-I117 HydrophobicContact CG-CD1 4.46Å; W86-I117 HydrophobicContact CH2-CD1 4.06Å; W86-I117 HydrophobicContact CZ2-CD1 4.36Å; W86-I117 HydrophobicContact CZ3-CD1 3.64Å; I113-I117 HydrophobicContact CG2-CD1 3.73Å; I113-I117 HydrophobicContact CG2-CG1 4.2Å; I113-I117 WeakPolarHBondContact O-CG1 3.35Å; I113-I117 PolarHBondContact O-N 2.91Å; T114-I117 PolarHBondContact O-N 2.79Å; I117-Q119 VanDerWaalsContact C-N 3.28Å; I117-Q119 PolarHBondContact O-N 3.02Å; I117-N120 CarbonylContact O-C 3.37Å; I117-N120 PolarHBondContact O-N 3.03Å; I117-Y121 PolarHBondContact O-N 3.17Å; I117-A130 HydrophobicContact CD1-CB 4.46Å; I117-A130 HydrophobicContact CG2-CB 3.76Å; I117-Y152 HydrophobicContact CG2-CD2 4.32Å; I117-Y152 HydrophobicContact CG2-CE1 4.38Å; I117-Y152 HydrophobicContact CG2-CE2 3.69Å
118L84.3Confident88.1Confident41 Ų4137.9 Ų37.922%0.21522%0.217CC..Hα-helixtrans-58.5-35.3176.1-91.8165.5000113.4T114 N120 Y121 Y152 L155T114-L118 HydrophobicContact CG2-CD1 3.86Å; T114-L118 HydrophobicContact CG2-CG 4.4Å; T114-L118 VanDerWaalsContact O-CB 3.27Å; T114-L118 WeakPolarHBondContact O-CB 3.38Å; T114-L118 WeakPolarHBondContact O-CG 3.38Å; T114-L118 PolarHBondContact O-N 3.28Å; L118-N120 PolarHBondContact O-N 3.36Å; L118-Y121 WeakPolarHBondContact O-CD1 3.4Å; L118-Y152 HydrophobicContact CD2-CD2 3.98Å; L118-Y152 HydrophobicContact CD2-CG 4.4Å; L118-Y152 HydrophobicContact CG-CD2 4.29Å; L118-L155 HydrophobicContact CD2-CD1 4.34Å
119Q85.4Confident88.1Confident106 Ų10636.9 Ų36.950%0.49522%0.216SC..Hα-helixtrans-70.4-20.4178.2-75.7167.265.200112.9R70 S115 C116 I117R70-Q119 VanDerWaalsContact CD-OE1 3.32Å; S115-Q119 WeakPolarHBondContact O-CG 3.24Å; S115-Q119 PolarHBondContact O-N 3.29Å; S115-Q119 PolarHBondContact O-NE2 3.49Å; C116-Q119 PolarHBondContact O-N 2.98Å; I117-Q119 VanDerWaalsContact C-N 3.28Å; I117-Q119 PolarHBondContact O-N 3.02Å
120N84.4Confident88.1Confident29 Ų2936.7 Ų36.716%0.15522%0.215CC..THydrogen-bonded Turntrans-114.424.1-173.6-65.5-74.8000113I75 C116 I117 L118 S122 C123I75-N120 HydrophobicContact CB-CB 4.42Å; I75-N120 HydrophobicContact CG1-CB 3.89Å; I75-N120 HydrophobicContact CG2-CB 4.11Å; C116-N120 PolarHBondContact O-ND2 3.36Å; I117-N120 CarbonylContact O-C 3.37Å; I117-N120 PolarHBondContact O-N 3.03Å; L118-N120 PolarHBondContact O-N 3.36Å; N120-S122 PolarHBondContact O-N 2.57Å; N120-C123 WeakPolarHBondContact O-CB 3.42Å; N120-C123 PolarHBondContact O-N 3.34Å
121Y81.2Confident88.1Confident102 Ų10236.7 Ų36.740%0.422%0.215SC..THydrogen-bonded Turntrans-59.7-13.9-179.378.6-83.2000114.8I117 L118 L155I117-Y121 PolarHBondContact O-N 3.17Å; L118-Y121 WeakPolarHBondContact O-CD1 3.4Å; Y121-L155 HydrophobicContact CD1-CD1 4.38Å; Y121-L155 HydrophobicContact CD2-CB 4.02Å; Y121-L155 HydrophobicContact CD2-CD1 4.43Å; Y121-L155 HydrophobicContact CG-CB 4.43Å; Y121-L155 HydrophobicContact CG-CD1 4.25Å
122S80.5Confident88.1Confident86 Ų8637.4 Ų37.460%0.60122%0.219SC*.THydrogen-bonded Turntrans-78.2-14.9175.150.90000114.3N120 P124N120-S122 PolarHBondContact O-N 2.57Å; S122-P124 VanDerWaalsContact O-CD 3.29Å; S122-P124 WeakPolarHBondContact O-CD 3.4Å
123C86.8Confident88.3Confident25 Ų2535 Ų3517%0.16921%0.206CC..  trans-88.6107.5-176-64.20000111N120 S125 V126 M127N120-C123 WeakPolarHBondContact O-CB 3.42Å; N120-C123 PolarHBondContact O-N 3.34Å; C123-S125 PolarHBondContact O-N 2.92Å; C123-V126 HydrophobicContact CB-CB 4.09Å; C123-V126 HydrophobicContact CB-CG2 3.65Å; C123-V126 PolarHBondContact O-N 3.03Å; C123-M127 WeakPolarHBondContact O-CG 3.42Å; C123-M127 PolarHBondContact O-N 3.28Å
124P85.8Confident88.2Confident61 Ų6135 Ų3540%0.39621%0.206SC..Hα-helixtrans-68.9-22.9-170.2-20.434.4000114.5S122 A128 K160S122-P124 VanDerWaalsContact O-CD 3.29Å; S122-P124 WeakPolarHBondContact O-CD 3.4Å; P124-A128 PolarHBondContact O-N 2.99Å; P124-K160 HydrophobicContact CB-CD 4.24Å
125S87.8Confident88.3Confident46 Ų4635 Ų3532%0.32221%0.206SC..Hα-helixtrans-60.8-56.1170.549.40000111.3E76 C123 M127 A128E76-S125 WeakPolarHBondContact OE1-CB 3.49Å; E76-S125 PolarHBondContact OE1-OG 3.1Å; C123-S125 PolarHBondContact O-N 2.92Å; S125-M127 VanDerWaalsContact C-N 3.33Å; S125-M127 PolarHBondContact O-N 3.49Å; S125-A128 PolarHBondContact O-N 3.07Å
126V89.9Confident88.4Confident1 Ų138 Ų381%0.00621%0.209CC..Hα-helixtrans-61.6-42178.1-172.70000110.3I75 E76 C123 A128 L129 A130I75-V126 HydrophobicContact CG1-CG1 4.37Å; I75-V126 HydrophobicContact CG1-CG2 3.9Å; I75-V126 HydrophobicContact CG2-CG2 4.29Å; E76-V126 HydrophobicContact CG-CG2 4.43Å; C123-V126 HydrophobicContact CB-CB 4.09Å; C123-V126 HydrophobicContact CB-CG2 3.65Å; C123-V126 PolarHBondContact O-N 3.03Å; V126-A128 VanDerWaalsContact C-N 3.34Å; V126-A128 PolarHBondContact O-N 2.95Å; V126-L129 PolarHBondContact O-N 2.69Å; V126-A130 VanDerWaalsContact O-CB 3.26Å; V126-A130 WeakPolarHBondContact O-CB 3.41Å; V126-A130 PolarHBondContact O-N 3.11Å
127M89.3Confident88.4Confident2 Ų238 Ų381%0.0121%0.209CC..Hα-helixtrans-57-43.1175.8-68.7-179.372.300113.2C123 S125 L129 A130 V131 A156 A159 K160 L163C123-M127 WeakPolarHBondContact O-CG 3.42Å; C123-M127 PolarHBondContact O-N 3.28Å; S125-M127 VanDerWaalsContact C-N 3.33Å; S125-M127 PolarHBondContact O-N 3.49Å; M127-L129 VanDerWaalsContact C-N 3.26Å; M127-L129 PolarHBondContact O-N 3.21Å; M127-A130 PolarHBondContact O-N 3.19Å; M127-V131 WeakPolarHBondContact O-CB 3.45Å; M127-V131 VanDerWaalsContact O-CG2 3.28Å; M127-V131 WeakPolarHBondContact O-CG2 3.49Å; M127-V131 PolarHBondContact O-N 3.04Å; M127-A156 HydrophobicContact CE-CB 3.63Å; M127-A159 HydrophobicContact CE-CB 4.12Å; M127-A159 HydrophobicContact SD-CB 4.26Å; M127-K160 HydrophobicContact CE-CB 3.93Å; M127-L163 HydrophobicContact CB-CD1 4.01Å
128A89.6Confident88.2Confident49 Ų4938.5 Ų38.541%0.40521%0.211SC..Hα-helixtrans-64.1-31.8-177.400000112.7P124 S125 V126 L163P124-A128 PolarHBondContact O-N 2.99Å; S125-A128 PolarHBondContact O-N 3.07Å; V126-A128 VanDerWaalsContact C-N 3.34Å; V126-A128 PolarHBondContact O-N 2.95Å; A128-L163 HydrophobicContact CB-CD1 4.44Å; A128-L163 HydrophobicContact CB-CD2 4.41Å
129L90.9Very high88.1Confident69 Ų6942.7 Ų42.736%0.36123%0.23SC..Hα-helixtrans-81.8-42.2174.7-60.5176000112.1T80 V83 V126 M127T80-L129 HydrophobicContact CG2-CD1 3.78Å; V83-L129 HydrophobicContact CB-CB 4.45Å; V83-L129 HydrophobicContact CG1-CB 4.31Å; V83-L129 HydrophobicContact CG2-CB 4.15Å; V126-L129 PolarHBondContact O-N 2.69Å; M127-L129 VanDerWaalsContact C-N 3.26Å; M127-L129 PolarHBondContact O-N 3.21Å
130A92.1Very high87.6Confident0 Ų038.9 Ų38.90%022%0.219CC..Hα-helixtrans-80.2-30.4-171.100000114.4V83 W86 I117 V126 M127 V133 A134 Y152V83-A130 HydrophobicContact CG2-CB 4.23Å; W86-A130 HydrophobicContact CZ3-CB 3.94Å; W86-A130 WeakPolarHBondContact CZ3-O 3.33Å; I117-A130 HydrophobicContact CD1-CB 4.46Å; I117-A130 HydrophobicContact CG2-CB 3.76Å; V126-A130 VanDerWaalsContact O-CB 3.26Å; V126-A130 WeakPolarHBondContact O-CB 3.41Å; V126-A130 PolarHBondContact O-N 3.11Å; M127-A130 PolarHBondContact O-N 3.19Å; A130-V133 PolarHBondContact O-N 3.39Å; A130-A134 VanDerWaalsContact O-CB 3.32Å; A130-A134 WeakPolarHBondContact O-CB 3.41Å; A130-A134 PolarHBondContact O-N 3.15Å; A130-Y152 HydrophobicContact CB-CE1 4.04Å; A130-Y152 WeakPolarHBondContact CB-OH 3.34Å
131V92.1Very high86.9Confident1 Ų140 Ų401%0.00624%0.237CC..Hα-helixtrans-60.4-48-176.6161.90000113.3M127 V133 A134 V135 Y152 L153 A156 L163 L164M127-V131 WeakPolarHBondContact O-CB 3.45Å; M127-V131 VanDerWaalsContact O-CG2 3.28Å; M127-V131 WeakPolarHBondContact O-CG2 3.49Å; M127-V131 PolarHBondContact O-N 3.04Å; V131-V133 VanDerWaalsContact C-N 3.33Å; V131-V133 PolarHBondContact O-N 3.01Å; V131-A134 PolarHBondContact O-N 2.89Å; V131-V135 WeakPolarHBondContact O-CG2 3.26Å; V131-V135 PolarHBondContact O-N 3.3Å; V131-Y152 HydrophobicContact CG2-CE1 4.13Å; V131-L153 HydrophobicContact CG1-CD2 4.22Å; V131-L153 HydrophobicContact CG2-CD2 4.42Å; V131-A156 HydrophobicContact CG2-CB 4.04Å; V131-L163 HydrophobicContact CG1-CB 4.33Å; V131-L163 WeakPolarHBondContact CG1-O 3.41Å; V131-L164 HydrophobicContact CG1-CD2 3.53Å; V131-L164 HydrophobicContact CG1-CG 4.33Å
132P91.3Very high87Confident52 Ų5235.3 Ų35.334%0.33822%0.219SC..Hα-helixtrans-60.3-40.4177.6-24.934.7000113.3V135 R136 H167P132-V135 PolarHBondContact O-N 3.14Å; P132-R136 PolarHBondContact O-N 2.82Å; P132-H167 WeakPolarHBondContact CA-NE2 3.35Å
133V92.5Very high87Confident4 Ų441.9 Ų41.92%0.02423%0.231CC..Hα-helixtrans-69-43178.9-178.20000110.8V83 W86 E87 L90 A130 V131 V135 R136 F137V83-V133 HydrophobicContact CG1-CB 4.41Å; V83-V133 HydrophobicContact CG1-CG2 3.73Å; W86-V133 HydrophobicContact CD2-CG1 3.91Å; W86-V133 HydrophobicContact CE3-CB 3.84Å; W86-V133 HydrophobicContact CE3-CG1 3.46Å; W86-V133 VanDerWaalsContact CE3-CG1 3.46Å; W86-V133 HydrophobicContact CG-CG1 4.42Å; W86-V133 HydrophobicContact CZ3-CB 3.97Å; W86-V133 HydrophobicContact CZ3-CG1 3.98Å; E87-V133 HydrophobicContact CB-CG1 4.05Å; E87-V133 HydrophobicContact CB-CG2 4.11Å; E87-V133 HydrophobicContact CG-CG2 4.29Å; L90-V133 HydrophobicContact CD1-CG1 4Å; A130-V133 PolarHBondContact O-N 3.39Å; V131-V133 VanDerWaalsContact C-N 3.33Å; V131-V133 PolarHBondContact O-N 3.01Å; V133-V135 VanDerWaalsContact C-N 3.29Å; V133-V135 PolarHBondContact O-N 2.66Å; V133-R136 WeakPolarHBondContact O-CB 3.49Å; V133-R136 PolarHBondContact O-N 3.39Å; V133-R136 VanDerWaalsContact O-N 3.1Å; V133-F137 HydrophobicContact CG1-CD2 3.93Å; V133-F137 HydrophobicContact CG1-CE2 3.76Å; V133-F137 WeakPolarHBondContact O-CD2 3.28Å; V133-F137 PolarHBondContact O-N 2.81Å
134A92.4Very high86.9Confident0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-59.5-37.3175.200000112.8W86 A130 V131 F137 L138 M149 Y152 L153W86-A134 HydrophobicContact CH2-CB 3.81Å; W86-A134 HydrophobicContact CZ3-CB 4.34Å; A130-A134 VanDerWaalsContact O-CB 3.32Å; A130-A134 WeakPolarHBondContact O-CB 3.41Å; A130-A134 PolarHBondContact O-N 3.15Å; V131-A134 PolarHBondContact O-N 2.89Å; A134-F137 PolarHBondContact O-N 3.24Å; A134-L138 PolarHBondContact O-N 3.19Å; A134-M149 HydrophobicContact CB-SD 3.96Å; A134-M149 WeakPolarHBondContact O-CG 3.33Å; A134-Y152 HydrophobicContact CB-CD1 3.91Å; A134-Y152 HydrophobicContact CB-CE1 4.35Å; A134-L153 HydrophobicContact CB-CD1 4.29Å; A134-L153 HydrophobicContact CB-CD2 3.96Å; A134-L153 HydrophobicContact CB-CG 4.1Å
135V91.3Very high86.9Confident6 Ų643.5 Ų43.54%0.03623%0.231CC..Hα-helixtrans-65.6-40.4174.61690000111.3V131 P132 V133 F137 L138 L153 H167 A170 I171V131-V135 WeakPolarHBondContact O-CG2 3.26Å; V131-V135 PolarHBondContact O-N 3.3Å; P132-V135 PolarHBondContact O-N 3.14Å; V133-V135 VanDerWaalsContact C-N 3.29Å; V133-V135 PolarHBondContact O-N 2.66Å; V135-F137 VanDerWaalsContact C-N 3.35Å; V135-F137 PolarHBondContact O-N 2.8Å; V135-L138 WeakPolarHBondContact O-CB 3.48Å; V135-L138 PolarHBondContact O-N 2.96Å; V135-L153 HydrophobicContact CG2-CD1 4.01Å; V135-L153 HydrophobicContact CG2-CD2 3.93Å; V135-H167 HydrophobicContact CB-CB 4.44Å; V135-H167 HydrophobicContact CG1-CB 4Å; V135-H167 HydrophobicContact CG2-CB 3.86Å; V135-A170 HydrophobicContact CG1-CB 3.54Å; V135-I171 HydrophobicContact CG2-CG1 4.43Å
136R89.6Confident86.9Confident115 Ų11541.6 Ų41.643%0.43422%0.217SC..Hα-helixtrans-62.6-40.1174-67.2175.963.8-175.8-2.8111.7E87 L90 P132 V133 L138 Q139E87-R136 IonicContact OE1-CZ 2.84Å; E87-R136 IonicContact OE1-NH1 3.19Å; E87-R136 PolarHBondContact OE1-NH1 3.24Å; L90-R136 HydrophobicContact CD1-CB 3.59Å; L90-R136 HydrophobicContact CD1-CG 4.48Å; L90-R136 HydrophobicContact CD2-CB 4.36Å; P132-R136 PolarHBondContact O-N 2.82Å; V133-R136 WeakPolarHBondContact O-CB 3.49Å; V133-R136 PolarHBondContact O-N 3.39Å; V133-R136 VanDerWaalsContact O-N 3.1Å; R136-L138 VanDerWaalsContact C-N 3.27Å; R136-L138 PolarHBondContact O-N 2.52Å; R136-Q139 PolarHBondContact O-N 3.39Å
137F89.3Confident86.8Confident2 Ų249.5 Ų49.51%0.00925%0.247CC..Hα-helixtrans-62-26.7176.8-89.6-76.7000114.2W86 C89 L90 L94 A110 V133 A134 V135 Q139 G140 L145 M149W86-F137 AromaticContact CD1-CE2 3.56Å; W86-F137 AromaticContact CD1-CZ 3.67Å; W86-F137 HydrophobicContact CD2-CD2 4.34Å; W86-F137 AromaticContact CD2-CE2 3.77Å; W86-F137 HydrophobicContact CD2-CE2 3.77Å; W86-F137 AromaticContact CE2-CD2 3.93Å; W86-F137 AromaticContact CE2-CE2 3.6Å; W86-F137 AromaticContact CG-CE2 3.8Å; W86-F137 HydrophobicContact CG-CE2 3.8Å; W86-F137 HydrophobicContact CG-CZ 4.28Å; W86-F137 HydrophobicContact CZ2-CD2 4.18Å; W86-F137 HydrophobicContact CZ2-CE2 4.31Å; W86-F137 AromaticContact NE1-CE2 3.42Å; W86-F137 AromaticContact NE1-CZ 3.68Å; W86-F137 WeakPolarHBondContact O-CE2 3.43Å; W86-F137 VanDerWaalsContact O-CZ 3.31Å; W86-F137 WeakPolarHBondContact O-CZ 3.41Å; C89-F137 HydrophobicContact CB-CZ 4.12Å; L90-F137 HydrophobicContact CD1-CD2 4.11Å; L90-F137 HydrophobicContact CD1-CE2 4.05Å; L90-F137 HydrophobicContact CD2-CB 4.28Å; L90-F137 HydrophobicContact CD2-CD1 3.6Å; L90-F137 HydrophobicContact CD2-CD2 3.83Å; L90-F137 HydrophobicContact CD2-CE1 3.79Å; L90-F137 HydrophobicContact CD2-CE2 3.99Å; L90-F137 HydrophobicContact CD2-CG 3.62Å; L90-F137 HydrophobicContact CD2-CZ 3.97Å; L90-F137 HydrophobicContact CG-CD1 4.41Å; L90-F137 HydrophobicContact CG-CD2 4.07Å; L90-F137 HydrophobicContact CG-CE1 4.19Å; L90-F137 HydrophobicContact CG-CE2 3.82Å; L90-F137 HydrophobicContact CG-CG 4.35Å; L90-F137 HydrophobicContact CG-CZ 3.88Å; L94-F137 HydrophobicContact CD1-CD1 3.76Å; L94-F137 HydrophobicContact CD1-CE1 3.48Å; L94-F137 VanDerWaalsContact CD1-CE1 3.48Å; L94-F137 HydrophobicContact CD2-CE1 4.46Å; A110-F137 HydrophobicContact CB-CE1 3.64Å; A110-F137 HydrophobicContact CB-CZ 3.74Å; V133-F137 HydrophobicContact CG1-CD2 3.93Å; V133-F137 HydrophobicContact CG1-CE2 3.76Å; V133-F137 WeakPolarHBondContact O-CD2 3.28Å; V133-F137 PolarHBondContact O-N 2.81Å; A134-F137 PolarHBondContact O-N 3.24Å; V135-F137 VanDerWaalsContact C-N 3.35Å; V135-F137 PolarHBondContact O-N 2.8Å; F137-Q139 PolarHBondContact O-N 3.45Å; F137-G140 PolarHBondContact O-N 3.07Å; F137-G140 VanDerWaalsContact O-N 3.11Å; F137-L145 HydrophobicContact CD1-CD1 4.33Å; F137-L145 HydrophobicContact CE1-CD1 4.25Å; F137-M149 HydrophobicContact CB-CE 4.19Å; F137-M149 HydrophobicContact CB-CG 3.36Å; F137-M149 HydrophobicContact CB-SD 3.62Å; F137-M149 HydrophobicContact CD2-SD 4.3Å; F137-M149 HydrophobicContact CG-CE 4.3Å; F137-M149 HydrophobicContact CG-CG 4.39Å; F137-M149 HydrophobicContact CG-SD 4.11Å
138L86.5Confident86.7Confident11 Ų1151.3 Ų51.36%0.05826%0.257CS..THydrogen-bonded Turntrans-59.3-26172.2-67.3173.6000113A134 V135 R136 M149 S150 L153 M182A134-L138 PolarHBondContact O-N 3.19Å; V135-L138 WeakPolarHBondContact O-CB 3.48Å; V135-L138 PolarHBondContact O-N 2.96Å; R136-L138 VanDerWaalsContact C-N 3.27Å; R136-L138 PolarHBondContact O-N 2.52Å; L138-M149 HydrophobicContact CD2-CB 3.7Å; L138-M149 HydrophobicContact CG-CB 4.15Å; L138-S150 WeakPolarHBondContact CD2-OG 3.18Å; L138-L153 HydrophobicContact CD1-CD1 3.63Å; L138-L153 HydrophobicContact CD2-CD1 4.4Å; L138-L153 HydrophobicContact CG-CD1 4.04Å; L138-M182 HydrophobicContact CD1-SD 3.91Å; L138-M182 HydrophobicContact CD2-CG 4.43Å; L138-M182 HydrophobicContact CD2-SD 4.18Å
139Q82.1Confident86.8Confident130 Ų13049 Ų4961%0.60724%0.237SC*.THydrogen-bonded Turntrans-94.6-8.4-179.5-58.2-179.1-5.600112.5R136 F137 G141R136-Q139 PolarHBondContact O-N 3.39Å; F137-Q139 PolarHBondContact O-N 3.45Å; Q139-G141 PolarHBondContact O-N 3.21Å; Q139-G141 VanDerWaalsContact O-N 3.08Å
140G73.3Confident86.7Confident25 Ų2545.8 Ų45.826%0.25822%0.221SC..SBendtrans-75.814-173.700000116.6F137 N142F137-G140 PolarHBondContact O-N 3.07Å; F137-G140 VanDerWaalsContact O-N 3.11Å; G140-N142 PolarHBondContact O-N 3.48Å
141G70.5Confident86.6Confident52 Ų5248.2 Ų48.254%0.53624%0.238SC..SBendtrans71.7-25.4172.100000117.5Q139 R143Q139-G141 PolarHBondContact O-N 3.21Å; Q139-G141 VanDerWaalsContact O-N 3.08Å; G141-R143 PolarHBondContact O-N 3Å
142N83.3Confident86.4Confident5 Ų548.3 Ų48.33%0.02724%0.238CC..  trans-73.9119.2176.8-172.2-56.7000111.2L94 D103 G140 E144 L145 S146L94-N142 HydrophobicContact CB-CB 4.24Å; L94-N142 WeakPolarHBondContact O-CB 3.31Å; L94-N142 PolarHBondContact O-ND2 3.01Å; D103-N142 PolarHBondContact OD1-ND2 3.46Å; G140-N142 PolarHBondContact O-N 3.48Å; N142-E144 PolarHBondContact OD1-N 3.19Å; N142-L145 HydrophobicContact CB-CB 4.09Å; N142-L145 HydrophobicContact CB-CD1 4.01Å; N142-L145 HydrophobicContact CB-CG 4.21Å; N142-L145 PolarHBondContact OD1-N 2.99Å; N142-S146 VanDerWaalsContact O-CB 3.26Å; N142-S146 WeakPolarHBondContact O-CB 3.34Å; N142-S146 PolarHBondContact O-N 3.45Å
143R81.6Confident86.4Confident224 Ų22445.8 Ų45.885%0.84522%0.222SC*.Hα-helixtrans-69-34.9-175.9-76-177.1167.4-172.8-4.9114G141 R147G141-R143 PolarHBondContact O-N 3Å; R143-R147 WeakPolarHBondContact O-CB 3.41Å; R143-R147 PolarHBondContact O-N 3.07Å
144E83.1Confident86.2Confident117 Ų11746.6 Ų46.655%0.54723%0.228SC..Hα-helixtrans-75.9-44-179.6-175.5152.9168.300110.8N142 S146 R147 N148N142-E144 PolarHBondContact OD1-N 3.19Å; E144-S146 PolarHBondContact O-N 3.28Å; E144-R147 PolarHBondContact O-N 3.45Å; E144-N148 VanDerWaalsContact O-CG 3.27Å; E144-N148 PolarHBondContact O-N 3.3Å; E144-N148 PolarHBondContact O-ND2 2.64Å
145L86.4Confident86Confident3 Ų349.3 Ų49.32%0.01624%0.242CC..Hα-helixtrans-59.4-46.7171.5-65.7177.8000111.3L94 A107 A110 F137 N142 R147 N148 M149L94-L145 HydrophobicContact CD1-CD1 4.45Å; L94-L145 HydrophobicContact CD2-CD1 4.25Å; A107-L145 HydrophobicContact CB-CD1 3.99Å; A110-L145 HydrophobicContact CB-CD1 3.97Å; A110-L145 HydrophobicContact CB-CD2 4.16Å; F137-L145 HydrophobicContact CD1-CD1 4.33Å; F137-L145 HydrophobicContact CE1-CD1 4.25Å; N142-L145 HydrophobicContact CB-CB 4.09Å; N142-L145 HydrophobicContact CB-CD1 4.01Å; N142-L145 HydrophobicContact CB-CG 4.21Å; N142-L145 PolarHBondContact OD1-N 2.99Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 2.69Å; L145-N148 CarbonylContact O-C 3.59Å; L145-N148 PolarHBondContact O-N 2.96Å; L145-M149 HydrophobicContact CB-CE 4.4Å; L145-M149 WeakPolarHBondContact O-CE 3.34Å; L145-M149 WeakPolarHBondContact O-CG 3.45Å; L145-M149 PolarHBondContact O-N 3.44Å
146S88.1Confident85.8Confident6 Ų649 Ų494%0.04224%0.241CC..Hα-helixtrans-57.1-41.6176.1-179.10000112.8N142 E144 M149 S150 N179N142-S146 VanDerWaalsContact O-CB 3.26Å; N142-S146 WeakPolarHBondContact O-CB 3.34Å; N142-S146 PolarHBondContact O-N 3.45Å; E144-S146 PolarHBondContact O-N 3.28Å; S146-M149 PolarHBondContact O-N 2.97Å; S146-S150 VanDerWaalsContact O-CB 3.32Å; S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.49Å; S146-S150 PolarHBondContact O-OG 3.07Å; S146-N179 PolarHBondContact OG-ND2 3.25Å; S146-N179 VanDerWaalsContact OG-ND2 3.16Å; S146-N179 PolarHBondContact OG-OD1 3.1Å
147R86.9Confident85.6Confident167 Ų16744 Ų4463%0.6322%0.223SC*.Hα-helixtrans-64.2-40174.6175-178.7163.490.83.8111.9R143 E144 L145 S150 S151 M181R143-R147 WeakPolarHBondContact O-CB 3.41Å; R143-R147 PolarHBondContact O-N 3.07Å; E144-R147 PolarHBondContact O-N 3.45Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 2.69Å; R147-S150 WeakPolarHBondContact O-CB 3.15Å; R147-S150 PolarHBondContact O-N 3.17Å; R147-S151 PolarHBondContact O-N 2.71Å; R147-M181 HydrophobicContact CG-CE 4.3Å; R147-M181 WeakPolarHBondContact O-CE 3.08Å
148N87.8Confident85.4Confident39 Ų3950.8 Ų50.821%0.20926%0.258CS..Hα-helixtrans-70.3-39.9177.9-66.7-20.5000111.7T114 E144 L145 S150 S151 Y152T114-N148 HydrophobicContact CG2-CB 3.99Å; E144-N148 VanDerWaalsContact O-CG 3.27Å; E144-N148 PolarHBondContact O-N 3.3Å; E144-N148 PolarHBondContact O-ND2 2.64Å; L145-N148 CarbonylContact O-C 3.59Å; L145-N148 PolarHBondContact O-N 2.96Å; N148-S150 VanDerWaalsContact C-N 3.33Å; N148-S150 PolarHBondContact O-N 2.93Å; N148-S151 WeakPolarHBondContact O-CB 3.35Å; N148-S151 PolarHBondContact O-N 2.86Å; N148-Y152 PolarHBondContact O-N 2.98Å
149M90.9Very high85.1Confident0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-59.1-45.3169.1-62.7-40.5114.400111.4W86 T114 A134 F137 L138 L145 S146 S151 Y152 L153W86-M149 HydrophobicContact CH2-SD 3.97Å; W86-M149 HydrophobicContact CZ2-CE 3.84Å; W86-M149 HydrophobicContact CZ2-SD 3.56Å; W86-M149 VanDerWaalsContact CZ2-SD 3.56Å; T114-M149 HydrophobicContact CG2-CE 3.7Å; T114-M149 WeakPolarHBondContact OG1-CE 3.43Å; A134-M149 HydrophobicContact CB-SD 3.96Å; A134-M149 WeakPolarHBondContact O-CG 3.33Å; F137-M149 HydrophobicContact CB-CE 4.19Å; F137-M149 HydrophobicContact CB-CG 3.36Å; F137-M149 HydrophobicContact CB-SD 3.62Å; F137-M149 HydrophobicContact CD2-SD 4.3Å; F137-M149 HydrophobicContact CG-CE 4.3Å; F137-M149 HydrophobicContact CG-CG 4.39Å; F137-M149 HydrophobicContact CG-SD 4.11Å; L138-M149 HydrophobicContact CD2-CB 3.7Å; L138-M149 HydrophobicContact CG-CB 4.15Å; L145-M149 HydrophobicContact CB-CE 4.4Å; L145-M149 WeakPolarHBondContact O-CE 3.34Å; L145-M149 WeakPolarHBondContact O-CG 3.45Å; L145-M149 PolarHBondContact O-N 3.44Å; S146-M149 PolarHBondContact O-N 2.97Å; M149-S151 PolarHBondContact O-N 3.32Å; M149-Y152 PolarHBondContact O-N 2.97Å; M149-Y152 VanDerWaalsContact O-N 3.1Å; M149-L153 HydrophobicContact CB-CD1 4.4Å; M149-L153 WeakPolarHBondContact O-CB 3.39Å; M149-L153 WeakPolarHBondContact O-CG 3.41Å; M149-L153 PolarHBondContact O-N 2.88Å
150S90.2Very high85.2Confident2 Ų251.3 Ų51.31%0.01427%0.269CS..Hα-helixtrans-61.1-31.9178.9-61.50000111.7L138 S146 R147 N148 S154 M181 M182L138-S150 WeakPolarHBondContact CD2-OG 3.18Å; S146-S150 VanDerWaalsContact O-CB 3.32Å; S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.49Å; S146-S150 PolarHBondContact O-OG 3.07Å; R147-S150 WeakPolarHBondContact O-CB 3.15Å; R147-S150 PolarHBondContact O-N 3.17Å; N148-S150 VanDerWaalsContact C-N 3.33Å; N148-S150 PolarHBondContact O-N 2.93Å; S150-S154 VanDerWaalsContact O-CB 3.28Å; S150-S154 WeakPolarHBondContact O-CB 3.5Å; S150-S154 PolarHBondContact O-N 3.31Å; S150-S154 PolarHBondContact O-OG 3.5Å; S150-M181 VanDerWaalsContact CB-CE 3.49Å; S150-M182 WeakPolarHBondContact O-CE 3.47Å
151S89.3Confident85.6Confident52 Ų5251 Ų5136%0.36427%0.265SS..Hα-helixtrans-69.6-48.4171.9-165.30000111.6R147 N148 M149 S154 L155R147-S151 PolarHBondContact O-N 2.71Å; N148-S151 WeakPolarHBondContact O-CB 3.35Å; N148-S151 PolarHBondContact O-N 2.86Å; M149-S151 PolarHBondContact O-N 3.32Å; S151-S154 PolarHBondContact O-N 3.43Å; S151-L155 PolarHBondContact O-N 3.37Å
152Y88.6Confident86.4Confident2 Ų253.2 Ų53.21%0.00826%0.264CS..Hα-helixtrans-60.5-49.8178.8-179-109.4000112.5I117 L118 A130 V131 A134 N148 M149 S154 L155 A156I117-Y152 HydrophobicContact CG2-CD2 4.32Å; I117-Y152 HydrophobicContact CG2-CE1 4.38Å; I117-Y152 HydrophobicContact CG2-CE2 3.69Å; L118-Y152 HydrophobicContact CD2-CD2 3.98Å; L118-Y152 HydrophobicContact CD2-CG 4.4Å; L118-Y152 HydrophobicContact CG-CD2 4.29Å; A130-Y152 HydrophobicContact CB-CE1 4.04Å; A130-Y152 WeakPolarHBondContact CB-OH 3.34Å; V131-Y152 HydrophobicContact CG2-CE1 4.13Å; A134-Y152 HydrophobicContact CB-CD1 3.91Å; A134-Y152 HydrophobicContact CB-CE1 4.35Å; N148-Y152 PolarHBondContact O-N 2.98Å; M149-Y152 PolarHBondContact O-N 2.97Å; M149-Y152 VanDerWaalsContact O-N 3.1Å; Y152-S154 VanDerWaalsContact C-N 3.29Å; Y152-S154 PolarHBondContact O-N 3.07Å; Y152-L155 WeakPolarHBondContact O-CB 3.15Å; Y152-L155 PolarHBondContact O-N 3.12Å; Y152-L155 VanDerWaalsContact O-N 3.09Å; Y152-A156 PolarHBondContact O-N 3.35Å
153L90.7Very high86.5Confident0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-66.3-30.4-179.5-66.5167.3000112V131 A134 V135 L138 M149 A156 A157 L164 M182V131-L153 HydrophobicContact CG1-CD2 4.22Å; V131-L153 HydrophobicContact CG2-CD2 4.42Å; A134-L153 HydrophobicContact CB-CD1 4.29Å; A134-L153 HydrophobicContact CB-CD2 3.96Å; A134-L153 HydrophobicContact CB-CG 4.1Å; V135-L153 HydrophobicContact CG2-CD1 4.01Å; V135-L153 HydrophobicContact CG2-CD2 3.93Å; L138-L153 HydrophobicContact CD1-CD1 3.63Å; L138-L153 HydrophobicContact CD2-CD1 4.4Å; L138-L153 HydrophobicContact CG-CD1 4.04Å; M149-L153 HydrophobicContact CB-CD1 4.4Å; M149-L153 WeakPolarHBondContact O-CB 3.39Å; M149-L153 WeakPolarHBondContact O-CG 3.41Å; M149-L153 PolarHBondContact O-N 2.88Å; L153-A156 PolarHBondContact O-N 3.42Å; L153-A157 WeakPolarHBondContact O-CB 3.49Å; L153-A157 PolarHBondContact O-N 3.06Å; L153-L164 HydrophobicContact CD2-CD2 3.58Å; L153-M182 HydrophobicContact CB-CE 3.87Å; L153-M182 HydrophobicContact CB-SD 4.11Å; L153-M182 HydrophobicContact CD1-SD 4.09Å
154S89.5Confident86.7Confident21 Ų2145 Ų4515%0.14724%0.237CC..Hα-helixtrans-67.1-34.6171.4-630000112.9S150 S151 Y152 M182S150-S154 VanDerWaalsContact O-CB 3.28Å; S150-S154 WeakPolarHBondContact O-CB 3.5Å; S150-S154 PolarHBondContact O-N 3.31Å; S150-S154 PolarHBondContact O-OG 3.5Å; S151-S154 PolarHBondContact O-N 3.43Å; Y152-S154 VanDerWaalsContact C-N 3.29Å; Y152-S154 PolarHBondContact O-N 3.07Å; S154-M182 WeakPolarHBondContact OG-CE 3.45Å
155L87.6Confident86.9Confident56 Ų5640.2 Ų40.229%0.29322%0.217SC..Hα-helixtrans-73.8-41.9172.5-66171.7000111.1L118 Y121 S151 Y152 A157 I158 A159L118-L155 HydrophobicContact CD2-CD1 4.34Å; Y121-L155 HydrophobicContact CD1-CD1 4.38Å; Y121-L155 HydrophobicContact CD2-CB 4.02Å; Y121-L155 HydrophobicContact CD2-CD1 4.43Å; Y121-L155 HydrophobicContact CG-CB 4.43Å; Y121-L155 HydrophobicContact CG-CD1 4.25Å; S151-L155 PolarHBondContact O-N 3.37Å; Y152-L155 WeakPolarHBondContact O-CB 3.15Å; Y152-L155 PolarHBondContact O-N 3.12Å; Y152-L155 VanDerWaalsContact O-N 3.09Å; L155-A157 VanDerWaalsContact C-N 3.26Å; L155-A157 PolarHBondContact O-N 2.79Å; L155-I158 PolarHBondContact O-N 2.99Å; L155-I158 VanDerWaalsContact O-N 3.1Å; L155-A159 PolarHBondContact O-N 3.49Å
156A85.9Confident87Confident1 Ų148.1 Ų48.11%0.00825%0.254CS..Hα-helixtrans-59.9-36.317800000112.5M127 V131 Y152 L153 I158 A159 K160 L164M127-A156 HydrophobicContact CE-CB 3.63Å; V131-A156 HydrophobicContact CG2-CB 4.04Å; Y152-A156 PolarHBondContact O-N 3.35Å; L153-A156 PolarHBondContact O-N 3.42Å; A156-I158 VanDerWaalsContact C-N 3.27Å; A156-I158 PolarHBondContact O-N 3.5Å; A156-A159 PolarHBondContact O-N 2.73Å; A156-K160 CarbonylContact O-C 3.59Å; A156-K160 PolarHBondContact O-N 2.96Å; A156-L164 HydrophobicContact CB-CD1 4.46Å
157A86.9Confident87.1Confident9 Ų949.8 Ų49.87%0.07426%0.261CS..Hα-helixtrans-61.1-30.2175.400000114.3L153 L155 L164 V185L153-A157 WeakPolarHBondContact O-CB 3.49Å; L153-A157 PolarHBondContact O-N 3.06Å; L155-A157 VanDerWaalsContact C-N 3.26Å; L155-A157 PolarHBondContact O-N 2.79Å; A157-L164 HydrophobicContact CB-CD1 3.67Å; A157-V185 HydrophobicContact CB-CB 4.31Å; A157-V185 HydrophobicContact CB-CG1 4.07Å; A157-V185 HydrophobicContact CB-CG2 3.85Å
158I83.7Confident87.2Confident145 Ų14541.9 Ų41.974%0.74423%0.231SC*.Hα-helixtrans-76.8-38.6177.3-58.2171.7000110.5L155 A156L155-I158 PolarHBondContact O-N 2.99Å; L155-I158 VanDerWaalsContact O-N 3.1Å; A156-I158 VanDerWaalsContact C-N 3.27Å; A156-I158 PolarHBondContact O-N 3.5Å
159A81.1Confident87.3Confident60 Ų6044 Ų4450%0.49624%0.24SC..Hα-helixtrans-88.2-41.7-174.300000114.2M127 L155 A156M127-A159 HydrophobicContact CE-CB 4.12Å; M127-A159 HydrophobicContact SD-CB 4.26Å; L155-A159 PolarHBondContact O-N 3.49Å; A156-A159 PolarHBondContact O-N 2.73Å
160K82.9Confident87.3Confident91 Ų9145 Ų4540%0.39625%0.248SC..Hα-helixtrans-149.974.9-179.4-74.7-160.2167-169.90112.3P124 M127 A156 D162 L163P124-K160 HydrophobicContact CB-CD 4.24Å; M127-K160 HydrophobicContact CE-CB 3.93Å; A156-K160 CarbonylContact O-C 3.59Å; A156-K160 PolarHBondContact O-N 2.96Å; K160-D162 PolarHBondContact O-N 2.82Å; K160-D162 VanDerWaalsContact O-N 3.14Å; K160-L163 HydrophobicContact CB-CD1 4.01Å; K160-L163 HydrophobicContact CB-CG 4.24Å; K160-L163 HydrophobicContact CD-CD1 4.01Å; K160-L163 HydrophobicContact CD-CG 4.49Å; K160-L163 PolarHBondContact O-N 2.85Å
161A83.5Confident87.3Confident20 Ų2045 Ų4517%0.16525%0.248CC..G310 helixtrans-55.7-26.9173.400000114L163 L164 A165A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 3.14Å; A161-L164 PolarHBondContact O-N 2.97Å; A161-A165 PolarHBondContact O-N 3.36Å
162D85.8Confident87.3Confident98 Ų9842.5 Ų42.552%0.52423%0.23SC..G310 helixtrans-57.3-38.5177.8-64.7-65.5000113.3K160 L164 A165 K192K160-D162 PolarHBondContact O-N 2.82Å; K160-D162 VanDerWaalsContact O-N 3.14Å; D162-L164 PolarHBondContact O-N 3.4Å; D162-A165 WeakPolarHBondContact O-CB 3.27Å; D162-A165 PolarHBondContact O-N 3.43Å; D162-K192 WeakPolarHBondContact OD1-CE 3.38Å; D162-K192 IonicContact OD1-NZ 3.91Å; D162-K192 PolarHBondContact OD1-NZ 3.05Å
163L85.1Confident87.4Confident57 Ų5745.6 Ų45.630%0.29825%0.249SC..G310 helixtrans-68.9-14.3179.2-64.9174.7000113.1M127 A128 V131 K160 A161M127-L163 HydrophobicContact CB-CD1 4.01Å; A128-L163 HydrophobicContact CB-CD1 4.44Å; A128-L163 HydrophobicContact CB-CD2 4.41Å; V131-L163 HydrophobicContact CG1-CB 4.33Å; V131-L163 WeakPolarHBondContact CG1-O 3.41Å; K160-L163 HydrophobicContact CB-CD1 4.01Å; K160-L163 HydrophobicContact CB-CG 4.24Å; K160-L163 HydrophobicContact CD-CD1 4.01Å; K160-L163 HydrophobicContact CD-CG 4.49Å; K160-L163 PolarHBondContact O-N 2.85Å; A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 3.14Å
164L87.7Confident87.3Confident0 Ų046 Ų460%025%0.252CS..G310 helixtrans-98-10.4179.6-62.8167000112.5V131 L153 A156 A157 A161 D162 E166 H167 T168 I171 V185 V189V131-L164 HydrophobicContact CG1-CD2 3.53Å; V131-L164 HydrophobicContact CG1-CG 4.33Å; L153-L164 HydrophobicContact CD2-CD2 3.58Å; A156-L164 HydrophobicContact CB-CD1 4.46Å; A157-L164 HydrophobicContact CB-CD1 3.67Å; A161-L164 PolarHBondContact O-N 2.97Å; D162-L164 PolarHBondContact O-N 3.4Å; L164-E166 PolarHBondContact O-N 3.36Å; L164-H167 PolarHBondContact O-N 3.48Å; L164-H167 VanDerWaalsContact O-N 3.07Å; L164-T168 PolarHBondContact O-N 3.29Å; L164-I171 HydrophobicContact CB-CD1 4.27Å; L164-I171 HydrophobicContact CD2-CD1 4.12Å; L164-V185 HydrophobicContact CD1-CG1 3.88Å; L164-V189 HydrophobicContact CB-CG2 3.74Å
165A87.2Confident87.3Confident15 Ų1545 Ų4512%0.12425%0.245CC..G310 helixtrans-59.1-48.1-176.700000112.3A161 D162 H167 T168 V189 K192 Q193A161-A165 PolarHBondContact O-N 3.36Å; D162-A165 WeakPolarHBondContact O-CB 3.27Å; D162-A165 PolarHBondContact O-N 3.43Å; A165-H167 PolarHBondContact O-N 3.26Å; A165-H167 VanDerWaalsContact O-N 3.1Å; A165-T168 PolarHBondContact O-N 2.99Å; A165-T168 PolarHBondContact O-OG1 2.87Å; A165-V189 HydrophobicContact CB-CG1 4.46Å; A165-K192 HydrophobicContact CB-CB 3.77Å; A165-K192 HydrophobicContact CB-CG 4.38Å; A165-Q193 PolarHBondContact O-NE2 3.22Å; A165-Q193 PolarHBondContact O-OE1 3.49Å
166E87.6Confident87.3Confident170 Ų17044.8 Ų44.879%0.79424%0.244SC*.G310 helixtrans-66.3-12.5179-58.6-171.8169.600113.4L164L164-E166 PolarHBondContact O-N 3.36Å
167H89.9Confident87.2Confident41 Ų4147.9 Ų47.919%0.1928%0.276CS..G310 helixtrans-1086.3-176.4-62.1-34.3000114P132 V135 L164 A165 E169 A170 I171P132-H167 WeakPolarHBondContact CA-NE2 3.35Å; V135-H167 HydrophobicContact CB-CB 4.44Å; V135-H167 HydrophobicContact CG1-CB 4Å; V135-H167 HydrophobicContact CG2-CB 3.86Å; L164-H167 PolarHBondContact O-N 3.48Å; L164-H167 VanDerWaalsContact O-N 3.07Å; A165-H167 PolarHBondContact O-N 3.26Å; A165-H167 VanDerWaalsContact O-N 3.1Å; H167-E169 VanDerWaalsContact C-N 3.28Å; H167-E169 PolarHBondContact O-N 2.84Å; H167-E169 VanDerWaalsContact O-N 3.17Å; H167-A170 PolarHBondContact O-N 3.1Å; H167-A170 VanDerWaalsContact O-N 3.12Å; H167-I171 HydrophobicContact CB-CD1 4.14Å; H167-I171 WeakPolarHBondContact O-CG1 3.33Å; H167-I171 PolarHBondContact O-N 2.81Å; H167-I171 VanDerWaalsContact O-N 3.07Å
168T89.8Confident87Confident1 Ų149.4 Ų49.41%0.00629%0.293CS..Hα-helixtrans-51.3-42.1-175.5-54.60000113.5L164 A165 I171 T172 V189 Q193 T196 I197L164-T168 PolarHBondContact O-N 3.29Å; A165-T168 PolarHBondContact O-N 2.99Å; A165-T168 PolarHBondContact O-OG1 2.87Å; T168-I171 PolarHBondContact O-N 3.47Å; T168-T172 WeakPolarHBondContact O-CB 3.47Å; T168-T172 PolarHBondContact O-N 3.01Å; T168-T172 PolarHBondContact O-OG1 3.18Å; T168-V189 HydrophobicContact CG2-CG1 4.37Å; T168-V189 WeakPolarHBondContact OG1-CG1 3.37Å; T168-Q193 HydrophobicContact CG2-CB 4.23Å; T168-Q193 PolarHBondContact OG1-OE1 3.36Å; T168-T196 HydrophobicContact CG2-CG2 3.92Å; T168-I197 HydrophobicContact CG2-CD1 3.91Å; T168-I197 HydrophobicContact CG2-CG1 3.8Å
169E89.9Confident87.1Confident84 Ų8444.5 Ų44.539%0.39327%0.268SS..Hα-helixtrans-64.8-48.6179.9-178.660.5-164.700111.5H167 I171 T172 V173 T196 H200H167-E169 VanDerWaalsContact C-N 3.28Å; H167-E169 PolarHBondContact O-N 2.84Å; H167-E169 VanDerWaalsContact O-N 3.17Å; E169-I171 VanDerWaalsContact C-N 3.31Å; E169-I171 PolarHBondContact O-N 3.03Å; E169-T172 PolarHBondContact O-N 3.08Å; E169-T172 VanDerWaalsContact O-N 3.14Å; E169-V173 WeakPolarHBondContact O-CG2 3.41Å; E169-V173 PolarHBondContact O-N 3.44Å; E169-T196 HydrophobicContact CB-CG2 3.8Å; E169-T196 WeakPolarHBondContact OE2-CG2 3.42Å; E169-H200 VanDerWaalsContact CD-NE2 3.26Å; E169-H200 IonicContact OE1-CD2 2.8Å; E169-H200 IonicContact OE1-CE1 3.02Å; E169-H200 IonicContact OE1-NE2 3.07Å; E169-H200 PolarHBondContact OE1-NE2 2.82Å; E169-H200 IonicContact OE2-CD2 2.66Å; E169-H200 PolarHBondContact OE2-CD2 2.87Å; E169-H200 IonicContact OE2-NE2 3.14Å; E169-H200 PolarHBondContact OE2-NE2 3.09Å
170A89.5Confident87.5Confident21 Ų2143.5 Ų43.517%0.17425%0.253CS..Hα-helixtrans-62.7-37.4179.500000112.4V135 H167 S174V135-A170 HydrophobicContact CG1-CB 3.54Å; H167-A170 PolarHBondContact O-N 3.1Å; H167-A170 VanDerWaalsContact O-N 3.12Å; A170-S174 VanDerWaalsContact O-CB 3.27Å; A170-S174 WeakPolarHBondContact O-CB 3.27Å; A170-S174 PolarHBondContact O-N 3.18Å
171I91.1Very high87.6Confident1 Ų141.4 Ų41.41%0.00525%0.245CC..Hα-helixtrans-67.8-41.4174.9-62165.2000110.4V135 L164 H167 T168 E169 S174 V175 M182 V185 L186V135-I171 HydrophobicContact CG2-CG1 4.43Å; L164-I171 HydrophobicContact CB-CD1 4.27Å; L164-I171 HydrophobicContact CD2-CD1 4.12Å; H167-I171 HydrophobicContact CB-CD1 4.14Å; H167-I171 WeakPolarHBondContact O-CG1 3.33Å; H167-I171 PolarHBondContact O-N 2.81Å; H167-I171 VanDerWaalsContact O-N 3.07Å; T168-I171 PolarHBondContact O-N 3.47Å; E169-I171 VanDerWaalsContact C-N 3.31Å; E169-I171 PolarHBondContact O-N 3.03Å; I171-S174 WeakPolarHBondContact O-CB 3.46Å; I171-S174 PolarHBondContact O-N 2.81Å; I171-V175 WeakPolarHBondContact O-CG2 3.39Å; I171-V175 PolarHBondContact O-N 3.26Å; I171-M182 HydrophobicContact CG2-CB 4.17Å; I171-M182 HydrophobicContact CG2-SD 4.38Å; I171-V185 HydrophobicContact CD1-CG1 4.2Å; I171-V185 HydrophobicContact CG2-CB 4.41Å; I171-V185 HydrophobicContact CG2-CG1 4.33Å; I171-L186 HydrophobicContact CG2-CD2 3.89Å
172T89.9Confident87.9Confident0 Ų040.5 Ų40.50%024%0.237CC..Hα-helixtrans-68-42.8179.5-56.10000111.9T168 E169 S174 V175 L176 H200 L204T168-T172 WeakPolarHBondContact O-CB 3.47Å; T168-T172 PolarHBondContact O-N 3.01Å; T168-T172 PolarHBondContact O-OG1 3.18Å; E169-T172 PolarHBondContact O-N 3.08Å; E169-T172 VanDerWaalsContact O-N 3.14Å; T172-S174 VanDerWaalsContact C-N 3.32Å; T172-S174 PolarHBondContact O-N 3.47Å; T172-V175 WeakPolarHBondContact O-CB 3.38Å; T172-V175 PolarHBondContact O-N 2.87Å; T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 3.29Å; T172-H200 HydrophobicContact CG2-CB 3.52Å; T172-L204 HydrophobicContact CG2-CD1 4.2Å; T172-L204 HydrophobicContact CG2-CD2 4.45Å
173V89.3Confident88.1Confident66 Ų6635.9 Ų35.940%0.421%0.213SC..Hα-helixtrans-62.8-38.6172.3172.50000111.1E169 L176 G177E169-V173 WeakPolarHBondContact O-CG2 3.41Å; E169-V173 PolarHBondContact O-N 3.44Å; V173-L176 PolarHBondContact O-N 3.3Å; V173-G177 PolarHBondContact O-N 3.07Å
174S89.5Confident88.4Confident8 Ų838.6 Ų38.66%0.05622%0.219CC..Hα-helixtrans-62.8-41174.9-176.70000112.7A170 I171 T172 G177 G178 N179A170-S174 VanDerWaalsContact O-CB 3.27Å; A170-S174 WeakPolarHBondContact O-CB 3.27Å; A170-S174 PolarHBondContact O-N 3.18Å; I171-S174 WeakPolarHBondContact O-CB 3.46Å; I171-S174 PolarHBondContact O-N 2.81Å; T172-S174 VanDerWaalsContact C-N 3.32Å; T172-S174 PolarHBondContact O-N 3.47Å; S174-G177 PolarHBondContact O-N 3.27Å; S174-G178 PolarHBondContact O-N 2.87Å; S174-N179 WeakPolarHBondContact O-CB 3.46Å; S174-N179 PolarHBondContact O-N 3.05Å; S174-N179 VanDerWaalsContact O-N 3.07Å; S174-N179 WeakPolarHBondContact OG-CB 3.32Å; S174-N179 PolarHBondContact OG-ND2 2.81Å
175V90Very high88.5Confident0 Ų038.6 Ų38.60%022%0.219CC..Hα-helixtrans-58.4-50.8171.3167.10000110.8I171 T172 G177 G178 M182 L183 L186 L204 M207I171-V175 WeakPolarHBondContact O-CG2 3.39Å; I171-V175 PolarHBondContact O-N 3.26Å; T172-V175 WeakPolarHBondContact O-CB 3.38Å; T172-V175 PolarHBondContact O-N 2.87Å; V175-G177 PolarHBondContact O-N 3.16Å; V175-G178 PolarHBondContact O-N 3.06Å; V175-M182 HydrophobicContact CG2-CB 3.47Å; V175-M182 VanDerWaalsContact CG2-CB 3.47Å; V175-L183 HydrophobicContact CG1-CD2 3.68Å; V175-L183 HydrophobicContact CG1-CG 3.77Å; V175-L183 HydrophobicContact CG2-CG 4.34Å; V175-L186 HydrophobicContact CG2-CD1 4.34Å; V175-L204 HydrophobicContact CB-CD2 4.38Å; V175-L204 HydrophobicContact CG1-CD2 3.57Å; V175-M207 HydrophobicContact CG1-CE 3.61Å
176L87.1Confident88.7Confident52 Ų5238 Ų3827%0.27221%0.214SC..Hα-helixtrans-63.4-28.5179.3-66.7172.9000113T172 V173 G178 H200 L204 M207T172-L176 WeakPolarHBondContact O-CG 3.46Å; T172-L176 PolarHBondContact O-N 3.29Å; V173-L176 PolarHBondContact O-N 3.3Å; L176-G178 PolarHBondContact O-N 3.34Å; L176-H200 HydrophobicContact CD1-CB 4.26Å; L176-L204 HydrophobicContact CD2-CD2 3.88Å; L176-L204 HydrophobicContact CD2-CG 4.3Å; L176-L204 HydrophobicContact CG-CD2 4.24Å; L176-M207 HydrophobicContact CD2-CE 4.2Å; L176-M207 HydrophobicContact CD2-CG 4.37Å; L176-M207 HydrophobicContact CD2-SD 3.88Å
177G83.1Confident88.8Confident67 Ų6730.6 Ų30.669%0.69118%0.181SC*.THydrogen-bonded Turntrans-74.3-2.3172.600000115.2V173 S174 V175V173-G177 PolarHBondContact O-N 3.07Å; S174-G177 PolarHBondContact O-N 3.27Å; V175-G177 PolarHBondContact O-N 3.16Å
178G83.6Confident88.7Confident41 Ų4130.6 Ų30.642%0.42319%0.185SC..THydrogen-bonded Turntrans104.91.617600000115.4S174 V175 L176 H180S174-G178 PolarHBondContact O-N 2.87Å; V175-G178 PolarHBondContact O-N 3.06Å; L176-G178 PolarHBondContact O-N 3.34Å; G178-H180 PolarHBondContact O-N 2.76Å
179N86.3Confident88.7Confident42 Ų4230.6 Ų30.623%0.22519%0.185CC..  trans-80.259.9172.1-61.7-56.9000110.5S146 S174 M181 M182S146-N179 PolarHBondContact OG-ND2 3.25Å; S146-N179 VanDerWaalsContact OG-ND2 3.16Å; S146-N179 PolarHBondContact OG-OD1 3.1Å; S174-N179 WeakPolarHBondContact O-CB 3.46Å; S174-N179 PolarHBondContact O-N 3.05Å; S174-N179 VanDerWaalsContact O-N 3.07Å; S174-N179 WeakPolarHBondContact OG-CB 3.32Å; S174-N179 PolarHBondContact OG-ND2 2.81Å; N179-M181 PolarHBondContact O-N 3.06Å; N179-M182 HydrophobicContact CB-CG 4.44Å; N179-M182 WeakPolarHBondContact O-CB 3.36Å; N179-M182 PolarHBondContact O-N 2.93Å
180H88.3Confident88.6Confident39 Ų3926.7 Ų26.718%0.18117%0.167CC..G310 helixtrans-54.7-29-170.2-60.1169000114.5G178 M182 L183 R210 L211 E215G178-H180 PolarHBondContact O-N 2.76Å; H180-M182 PolarHBondContact O-N 3.39Å; H180-L183 VanDerWaalsContact O-CB 3.23Å; H180-L183 WeakPolarHBondContact O-CB 3.41Å; H180-L183 WeakPolarHBondContact O-CG 3.46Å; H180-L183 PolarHBondContact O-N 3.02Å; H180-R210 PolarHBondContact CE1-O 3.48Å; H180-R210 VanDerWaalsContact CE1-O 3.26Å; H180-L211 HydrophobicContact CB-CD2 3.99Å; H180-L211 WeakPolarHBondContact ND1-CD2 3.46Å; H180-E215 HydrophobicContact CB-CG 4.32Å; H180-E215 WeakPolarHBondContact CB-OE1 3.26Å; H180-E215 VanDerWaalsContact CB-OE2 3.3Å; H180-E215 WeakPolarHBondContact CB-OE2 3.36Å; H180-E215 IonicContact CG-OE2 3.18Å; H180-E215 IonicContact ND1-OE2 3.87Å; H180-E215 PolarHBondContact ND1-OE2 2.94Å
181M86.3Confident88.4Confident47 Ų4729.8 Ų29.823%0.23219%0.185CC..G310 helixtrans-54.5-24.7174.5-173.6159.86800113.2R147 S150 N179 L183 R184R147-M181 HydrophobicContact CG-CE 4.3Å; R147-M181 WeakPolarHBondContact O-CE 3.08Å; S150-M181 VanDerWaalsContact CB-CE 3.49Å; N179-M181 PolarHBondContact O-N 3.06Å; M181-L183 PolarHBondContact O-N 3.31Å; M181-R184 WeakPolarHBondContact O-CB 3.39Å; M181-R184 VanDerWaalsContact O-CG 3.31Å; M181-R184 WeakPolarHBondContact O-CG 3.29Å; M181-R184 PolarHBondContact O-N 2.9Å
182M90.2Very high88.2Confident0 Ų035.2 Ų35.20%021%0.209CC..G310 helixtrans-71.2-10.8175-66.9-82.27100114.6L138 S150 L153 S154 I171 V175 N179 H180 R184 V185L138-M182 HydrophobicContact CD1-SD 3.91Å; L138-M182 HydrophobicContact CD2-CG 4.43Å; L138-M182 HydrophobicContact CD2-SD 4.18Å; S150-M182 WeakPolarHBondContact O-CE 3.47Å; L153-M182 HydrophobicContact CB-CE 3.87Å; L153-M182 HydrophobicContact CB-SD 4.11Å; L153-M182 HydrophobicContact CD1-SD 4.09Å; S154-M182 WeakPolarHBondContact OG-CE 3.45Å; I171-M182 HydrophobicContact CG2-CB 4.17Å; I171-M182 HydrophobicContact CG2-SD 4.38Å; V175-M182 HydrophobicContact CG2-CB 3.47Å; V175-M182 VanDerWaalsContact CG2-CB 3.47Å; N179-M182 HydrophobicContact CB-CG 4.44Å; N179-M182 WeakPolarHBondContact O-CB 3.36Å; N179-M182 PolarHBondContact O-N 2.93Å; H180-M182 PolarHBondContact O-N 3.39Å; M182-R184 PolarHBondContact O-N 2.89Å; M182-R184 VanDerWaalsContact O-N 3.1Å; M182-V185 HydrophobicContact CE-CG2 3.55Å; M182-V185 PolarHBondContact O-N 3.38Å
183L89.8Confident87.9Confident2 Ų238 Ų381%0.0122%0.222CC..G310 helixtrans-56.8-23.1167.6-75.7165.7000112.7V175 H180 M181 V185 L186 P187 L204 L211 E215 H218 L219V175-L183 HydrophobicContact CG1-CD2 3.68Å; V175-L183 HydrophobicContact CG1-CG 3.77Å; V175-L183 HydrophobicContact CG2-CG 4.34Å; H180-L183 VanDerWaalsContact O-CB 3.23Å; H180-L183 WeakPolarHBondContact O-CB 3.41Å; H180-L183 WeakPolarHBondContact O-CG 3.46Å; H180-L183 PolarHBondContact O-N 3.02Å; M181-L183 PolarHBondContact O-N 3.31Å; L183-V185 VanDerWaalsContact C-N 3.26Å; L183-V185 PolarHBondContact O-N 2.91Å; L183-L186 HydrophobicContact CD2-CD1 4.26Å; L183-P187 WeakPolarHBondContact O-CD 3.36Å; L183-L204 HydrophobicContact CD2-CD2 4.46Å; L183-L211 HydrophobicContact CD1-CD1 3.62Å; L183-L211 HydrophobicContact CD1-CD2 3.7Å; L183-L211 HydrophobicContact CD1-CG 4.3Å; L183-E215 HydrophobicContact CD1-CB 4.05Å; L183-H218 HydrophobicContact CB-CB 4.3Å; L183-L219 HydrophobicContact CD2-CB 4.38Å; L183-L219 HydrophobicContact CD2-CD1 4.33Å
184R90Very high87.7Confident114 Ų11435.9 Ų35.943%0.4321%0.209SC..G310 helixtrans-67.5-24.9176.6-58.3-175.5-175.9-161.41113.5M181 M182M181-R184 WeakPolarHBondContact O-CB 3.39Å; M181-R184 VanDerWaalsContact O-CG 3.31Å; M181-R184 WeakPolarHBondContact O-CG 3.29Å; M181-R184 PolarHBondContact O-N 2.9Å; M182-R184 PolarHBondContact O-N 2.89Å; M182-R184 VanDerWaalsContact O-N 3.1Å
185V91.4Very high87.4Confident0 Ų042.4 Ų42.40%024%0.239CC..THydrogen-bonded Turntrans-87.4-35.2-177.8174.80000111.9A157 L164 I171 M182 L183 S188 V189A157-V185 HydrophobicContact CB-CB 4.31Å; A157-V185 HydrophobicContact CB-CG1 4.07Å; A157-V185 HydrophobicContact CB-CG2 3.85Å; L164-V185 HydrophobicContact CD1-CG1 3.88Å; I171-V185 HydrophobicContact CD1-CG1 4.2Å; I171-V185 HydrophobicContact CG2-CB 4.41Å; I171-V185 HydrophobicContact CG2-CG1 4.33Å; M182-V185 HydrophobicContact CE-CG2 3.55Å; M182-V185 PolarHBondContact O-N 3.38Å; L183-V185 VanDerWaalsContact C-N 3.26Å; L183-V185 PolarHBondContact O-N 2.91Å; V185-S188 PolarHBondContact O-N 3.36Å; V185-S188 PolarHBondContact O-OG 2.92Å; V185-V189 HydrophobicContact CG1-CG2 3.71Å; V185-V189 PolarHBondContact O-N 2.84Å
186L90.6Very high87.2Confident1 Ų143.8 Ų43.81%0.00525%0.247CC..Hα-helixtrans-55.4-41.2-174.3-58.7-176000114I171 V175 L183 S188 V189 Y190 I197 L204 L222I171-L186 HydrophobicContact CG2-CD2 3.89Å; V175-L186 HydrophobicContact CG2-CD1 4.34Å; L183-L186 HydrophobicContact CD2-CD1 4.26Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 2.91Å; L186-V189 PolarHBondContact O-N 3.03Å; L186-Y190 WeakPolarHBondContact O-CB 3.46Å; L186-Y190 PolarHBondContact O-N 2.87Å; L186-I197 HydrophobicContact CB-CD1 4.36Å; L186-I197 HydrophobicContact CD2-CD1 4.47Å; L186-L204 HydrophobicContact CD1-CD1 4.08Å; L186-L204 HydrophobicContact CD1-CD2 4.39Å; L186-L222 HydrophobicContact CB-CD1 4.09Å; L186-L222 HydrophobicContact CB-CD2 3.83Å; L186-L222 HydrophobicContact CD1-CD2 3.95Å
187P89.4Confident87.1Confident16 Ų1641.3 Ų41.310%0.10423%0.234CC..Hα-helixtrans-60.6-35.1176.1-25.935.3000114.6L183 L222 M225L183-P187 WeakPolarHBondContact O-CD 3.36Å; P187-L222 HydrophobicContact CG-CB 4.29Å; P187-L222 HydrophobicContact CG-CD1 4.46Å; P187-M225 HydrophobicContact CB-SD 3.96Å; P187-M225 WeakPolarHBondContact O-CE 3.44Å
188S88.6Confident87.1Confident40 Ų4040.1 Ų40.128%0.2821%0.211SC..Hα-helixtrans-76.7-27.4-179.967.70000112.7V185 L186V185-S188 PolarHBondContact O-N 3.36Å; V185-S188 PolarHBondContact O-OG 2.92Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 2.91Å
189V89.3Confident87.2Confident1 Ų145.6 Ų45.61%0.00623%0.225CC..Hα-helixtrans-92.3-23.2-178.4-172.70000112.3L164 A165 T168 V185 L186 P191 K192 Q193L164-V189 HydrophobicContact CB-CG2 3.74Å; A165-V189 HydrophobicContact CB-CG1 4.46Å; T168-V189 HydrophobicContact CG2-CG1 4.37Å; T168-V189 WeakPolarHBondContact OG1-CG1 3.37Å; V185-V189 HydrophobicContact CG1-CG2 3.71Å; V185-V189 PolarHBondContact O-N 2.84Å; L186-V189 PolarHBondContact O-N 3.03Å; V189-P191 VanDerWaalsContact C-CD 3.44Å; V189-K192 WeakPolarHBondContact O-CA 3.4Å; V189-K192 WeakPolarHBondContact O-CB 3.25Å; V189-K192 PolarHBondContact O-N 3.21Å; V189-Q193 PolarHBondContact O-N 3.04Å
190Y88.1Confident87.2Confident3 Ų344.6 Ų44.61%0.01222%0.219CC..THydrogen-bonded Turntrans-49.2-41.4179.4177.7-103.1000115.4L186 K192 P194 I197 H198 L222 M225 V226 Q229 H230L186-Y190 WeakPolarHBondContact O-CB 3.46Å; L186-Y190 PolarHBondContact O-N 2.87Å; Y190-K192 PolarHBondContact O-N 3.24Å; Y190-K192 VanDerWaalsContact O-N 3.09Å; Y190-P194 HydrophobicContact CD2-CB 4.12Å; Y190-P194 HydrophobicContact CE2-CB 3.52Å; Y190-P194 WeakPolarHBondContact O-CD 3.29Å; Y190-I197 HydrophobicContact CD2-CB 4.19Å; Y190-I197 HydrophobicContact CD2-CD1 3.95Å; Y190-I197 HydrophobicContact CD2-CG2 4.11Å; Y190-I197 HydrophobicContact CG-CD1 4.47Å; Y190-H198 AromaticContact CE2-CD2 3.89Å; Y190-H198 AromaticContact CE2-NE2 3.58Å; Y190-H198 AromaticContact CZ-NE2 3.76Å; Y190-H198 PolarHBondContact OH-NE2 3.26Å; Y190-L222 HydrophobicContact CD2-CD1 4.37Å; Y190-L222 HydrophobicContact CG-CD1 4.22Å; Y190-M225 HydrophobicContact CD1-CB 3.94Å; Y190-M225 HydrophobicContact CD1-CE 4.38Å; Y190-M225 HydrophobicContact CE1-CB 4.23Å; Y190-M225 VanDerWaalsContact CE1-O 3.27Å; Y190-M225 WeakPolarHBondContact CE1-O 3.3Å; Y190-V226 HydrophobicContact CD2-CG2 4.25Å; Y190-V226 HydrophobicContact CE1-CG2 4.45Å; Y190-V226 HydrophobicContact CE2-CG2 3.62Å; Y190-V226 WeakPolarHBondContact OH-CA 3.39Å; Y190-Q229 HydrophobicContact CE1-CB 4.11Å; Y190-Q229 HydrophobicContact CE1-CG 4.04Å; Y190-H230 PolarHBondContact OH-CD2 3.22Å
191P85.9Confident87Confident86 Ų8643 Ų4356%0.55821%0.212SC*.THydrogen-bonded Turntrans-66.1-9.1176.3-21.534.7000115.1V189 M225V189-P191 VanDerWaalsContact C-CD 3.44Å; P191-M225 HydrophobicContact CG-CE 4.03Å
192K85.6Confident86.8Confident114 Ų11442.8 Ų42.850%0.49622%0.221SC..THydrogen-bonded Turntrans-106.3-37.6-178.1-54.8-72.1173.1155.80112.2D162 A165 V189 Y190D162-K192 WeakPolarHBondContact OD1-CE 3.38Å; D162-K192 IonicContact OD1-NZ 3.91Å; D162-K192 PolarHBondContact OD1-NZ 3.05Å; A165-K192 HydrophobicContact CB-CB 3.77Å; A165-K192 HydrophobicContact CB-CG 4.38Å; V189-K192 WeakPolarHBondContact O-CA 3.4Å; V189-K192 WeakPolarHBondContact O-CB 3.25Å; V189-K192 PolarHBondContact O-N 3.21Å; Y190-K192 PolarHBondContact O-N 3.24Å; Y190-K192 VanDerWaalsContact O-N 3.09Å
193Q84.7Confident86.5Confident59 Ų5945.8 Ų45.828%0.27624%0.242SC..  trans-135.774.3174.9-70.4-156.8-0.700112.6A165 T168 V189 T196A165-Q193 PolarHBondContact O-NE2 3.22Å; A165-Q193 PolarHBondContact O-OE1 3.49Å; T168-Q193 HydrophobicContact CG2-CB 4.23Å; T168-Q193 PolarHBondContact OG1-OE1 3.36Å; V189-Q193 PolarHBondContact O-N 3.04Å; Q193-T196 PolarHBondContact OE1-OG1 3.07Å
194P84Confident86.3Confident22 Ų2245.7 Ų45.714%0.14324%0.242CC..Hα-helixtrans-67.6-38.8-179.223.9-31.5000113.1Y190 T196 I197 H198Y190-P194 HydrophobicContact CD2-CB 4.12Å; Y190-P194 HydrophobicContact CE2-CB 3.52Å; Y190-P194 WeakPolarHBondContact O-CD 3.29Å; P194-T196 PolarHBondContact O-N 3.14Å; P194-I197 PolarHBondContact O-N 3.33Å; P194-H198 PolarHBondContact O-CD2 3.14Å; P194-H198 VanDerWaalsContact O-CG 3.24Å; P194-H198 PolarHBondContact O-N 3.24Å
195H83.4Confident86Confident144 Ų14440.4 Ų40.467%0.66722%0.222SC*.Hα-helixtrans-60.3-40.6-175.5-57.9-49.1000113.8I197 H198 H199H195-I197 VanDerWaalsContact C-N 3.34Å; H195-I197 PolarHBondContact O-N 3.01Å; H195-H198 WeakPolarHBondContact O-CB 3.4Å; H195-H198 PolarHBondContact O-N 3.43Å; H195-H199 PolarHBondContact O-N 3.36Å; H195-H199 VanDerWaalsContact O-N 3.14Å
196T84.9Confident85.6Confident29 Ų2943.6 Ų43.618%0.17825%0.248CC..Hα-helixtrans-59.6-45.9178.3-43.50000110.7T168 E169 Q193 P194 H200T168-T196 HydrophobicContact CG2-CG2 3.92Å; E169-T196 HydrophobicContact CB-CG2 3.8Å; E169-T196 WeakPolarHBondContact OE2-CG2 3.42Å; Q193-T196 PolarHBondContact OE1-OG1 3.07Å; P194-T196 PolarHBondContact O-N 3.14Å; T196-H200 PolarHBondContact O-CD2 2.98Å
197I85.2Confident85.4Confident0 Ų043.7 Ų43.70%025%0.249CC..Hα-helixtrans-70.8-36.5177.9-71.1162.8000111.3T168 L186 Y190 P194 H195 H199 H200 L201 L222T168-I197 HydrophobicContact CG2-CD1 3.91Å; T168-I197 HydrophobicContact CG2-CG1 3.8Å; L186-I197 HydrophobicContact CB-CD1 4.36Å; L186-I197 HydrophobicContact CD2-CD1 4.47Å; Y190-I197 HydrophobicContact CD2-CB 4.19Å; Y190-I197 HydrophobicContact CD2-CD1 3.95Å; Y190-I197 HydrophobicContact CD2-CG2 4.11Å; Y190-I197 HydrophobicContact CG-CD1 4.47Å; P194-I197 PolarHBondContact O-N 3.33Å; H195-I197 VanDerWaalsContact C-N 3.34Å; H195-I197 PolarHBondContact O-N 3.01Å; I197-H199 VanDerWaalsContact C-N 3.32Å; I197-H199 PolarHBondContact O-N 3.48Å; I197-H200 PolarHBondContact O-N 3.22Å; I197-L201 WeakPolarHBondContact O-CB 3.5Å; I197-L201 PolarHBondContact O-N 3.37Å; I197-L222 HydrophobicContact CD1-CD1 4.5Å; I197-L222 HydrophobicContact CG2-CD1 4.23Å; I197-L222 HydrophobicContact CG2-CD2 4Å; I197-L222 HydrophobicContact CG2-CG 4.34Å
198H84.8Confident85.1Confident43 Ų4343 Ų4320%0.19924%0.244CC..Hα-helixtrans-59.5-39.7176.3-67.7176.9000112.8Y190 P194 H195 H200 L201 H230 S233Y190-H198 AromaticContact CE2-CD2 3.89Å; Y190-H198 AromaticContact CE2-NE2 3.58Å; Y190-H198 AromaticContact CZ-NE2 3.76Å; Y190-H198 PolarHBondContact OH-NE2 3.26Å; P194-H198 PolarHBondContact O-CD2 3.14Å; P194-H198 VanDerWaalsContact O-CG 3.24Å; P194-H198 PolarHBondContact O-N 3.24Å; H195-H198 WeakPolarHBondContact O-CB 3.4Å; H195-H198 PolarHBondContact O-N 3.43Å; H198-H200 VanDerWaalsContact C-N 3.31Å; H198-H200 PolarHBondContact O-N 2.94Å; H198-L201 WeakPolarHBondContact O-CB 3.49Å; H198-L201 PolarHBondContact O-N 3.39Å; H198-H230 AromaticContact CE1-CD2 3.37Å; H198-H230 PolarHBondContact CE1-CD2 2.72Å; H198-H230 AromaticContact CE1-CG 3.87Å; H198-H230 AromaticContact NE2-CD2 3.79Å; H198-S233 PolarHBondContact CE1-OG 3.08Å; H198-S233 PolarHBondContact NE2-OG 2.9Å
199H85.3Confident84.8Confident155 Ų15545.1 Ų45.172%0.71826%0.257SS*.Hα-helixtrans-59.6-41.9178.6-173.668.8000112.1H195 I197H195-H199 PolarHBondContact O-N 3.36Å; H195-H199 VanDerWaalsContact O-N 3.14Å; I197-H199 VanDerWaalsContact C-N 3.32Å; I197-H199 PolarHBondContact O-N 3.48Å
200H85.9Confident84.4Confident22 Ų2252.9 Ų52.910%0.10229%0.286CS..Hα-helixtrans-90.5-5.6-178.6-66.9-67.4000114.5E169 T172 L176 T196 I197 H198 G202 S203 L204E169-H200 VanDerWaalsContact CD-NE2 3.26Å; E169-H200 IonicContact OE1-CD2 2.8Å; E169-H200 IonicContact OE1-CE1 3.02Å; E169-H200 IonicContact OE1-NE2 3.07Å; E169-H200 PolarHBondContact OE1-NE2 2.82Å; E169-H200 IonicContact OE2-CD2 2.66Å; E169-H200 PolarHBondContact OE2-CD2 2.87Å; E169-H200 IonicContact OE2-NE2 3.14Å; E169-H200 PolarHBondContact OE2-NE2 3.09Å; T172-H200 HydrophobicContact CG2-CB 3.52Å; L176-H200 HydrophobicContact CD1-CB 4.26Å; T196-H200 PolarHBondContact O-CD2 2.98Å; I197-H200 PolarHBondContact O-N 3.22Å; H198-H200 VanDerWaalsContact C-N 3.31Å; H198-H200 PolarHBondContact O-N 2.94Å; H200-G202 VanDerWaalsContact C-N 3.28Å; H200-G202 PolarHBondContact O-N 3.23Å; H200-S203 WeakPolarHBondContact O-CA 3.13Å; H200-S203 WeakPolarHBondContact O-CB 3.39Å; H200-S203 PolarHBondContact O-N 2.82Å; H200-L204 HydrophobicContact CB-CD1 4.38Å; H200-L204 HydrophobicContact CB-CG 4.41Å; H200-L204 WeakPolarHBondContact O-CG 3.38Å; H200-L204 PolarHBondContact O-N 3.44Å
201L84Confident84.3Confident6 Ų653.3 Ų53.33%0.03129%0.289CS..Hα-helixtrans-57.5-36.6-170.7-176.162000113.7I197 H198 T205 I223 V226 L237I197-L201 WeakPolarHBondContact O-CB 3.5Å; I197-L201 PolarHBondContact O-N 3.37Å; H198-L201 WeakPolarHBondContact O-CB 3.49Å; H198-L201 PolarHBondContact O-N 3.39Å; L201-T205 WeakPolarHBondContact O-CB 3.49Å; L201-T205 PolarHBondContact O-N 3.39Å; L201-T205 PolarHBondContact O-OG1 3.49Å; L201-I223 HydrophobicContact CD1-CG1 4.47Å; L201-V226 HydrophobicContact CD1-CG2 4.48Å; L201-V226 HydrophobicContact CD2-CG1 3.86Å; L201-V226 HydrophobicContact CD2-CG2 4.37Å; L201-L237 HydrophobicContact CD1-CD1 4.37Å; L201-L237 HydrophobicContact CD2-CD1 3.95Å; L201-L237 HydrophobicContact CG-CD1 4Å
202G81.1Confident84.2Confident41 Ų4155.5 Ų55.542%0.42329%0.291SS..Hα-helixtrans-61.8-50173.900000111.8H200 T205 A206H200-G202 VanDerWaalsContact C-N 3.28Å; H200-G202 PolarHBondContact O-N 3.23Å; G202-T205 PolarHBondContact O-N 3.25Å; G202-A206 WeakPolarHBondContact O-CB 3.48Å; G202-A206 PolarHBondContact O-N 3.41Å
203S84.6Confident84Confident64 Ų6453.1 Ų53.145%0.44829%0.286SS..Hα-helixtrans-61.5-43.9177.3-53.20000112.2H200 A206 M207H200-S203 WeakPolarHBondContact O-CA 3.13Å; H200-S203 WeakPolarHBondContact O-CB 3.39Å; H200-S203 PolarHBondContact O-N 2.82Å; S203-A206 PolarHBondContact O-N 2.71Å; S203-M207 WeakPolarHBondContact O-CG 3.46Å; S203-M207 PolarHBondContact O-N 3.2Å
204L86.5Confident84Confident0 Ų052.6 Ų52.60%029%0.288CS..Hα-helixtrans-60.4-48.2175.9-69.7172.4000111.4T172 V175 L176 L183 L186 H200 A206 M207 L219 L222T172-L204 HydrophobicContact CG2-CD1 4.2Å; T172-L204 HydrophobicContact CG2-CD2 4.45Å; V175-L204 HydrophobicContact CB-CD2 4.38Å; V175-L204 HydrophobicContact CG1-CD2 3.57Å; L176-L204 HydrophobicContact CD2-CD2 3.88Å; L176-L204 HydrophobicContact CD2-CG 4.3Å; L176-L204 HydrophobicContact CG-CD2 4.24Å; L183-L204 HydrophobicContact CD2-CD2 4.46Å; L186-L204 HydrophobicContact CD1-CD1 4.08Å; L186-L204 HydrophobicContact CD1-CD2 4.39Å; H200-L204 HydrophobicContact CB-CD1 4.38Å; H200-L204 HydrophobicContact CB-CG 4.41Å; H200-L204 WeakPolarHBondContact O-CG 3.38Å; H200-L204 PolarHBondContact O-N 3.44Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 3.37Å; L204-M207 HydrophobicContact CD2-CE 4.47Å; L204-M207 WeakPolarHBondContact O-CB 3.47Å; L204-M207 PolarHBondContact O-N 3.47Å; L204-L219 HydrophobicContact CB-CD1 4.17Å; L204-L219 WeakPolarHBondContact O-CD2 3.39Å; L204-L222 HydrophobicContact CD1-CD2 4.29Å
205T82.2Confident84.1Confident2 Ų252.7 Ų52.71%0.01229%0.286CS..Hα-helixtrans-65.6-36.6-179.6-47.30000111.8L201 G202 M207 M208 I223 N240L201-T205 WeakPolarHBondContact O-CB 3.49Å; L201-T205 PolarHBondContact O-N 3.39Å; L201-T205 PolarHBondContact O-OG1 3.49Å; G202-T205 PolarHBondContact O-N 3.25Å; T205-M207 PolarHBondContact O-N 3.33Å; T205-M207 VanDerWaalsContact O-N 3.15Å; T205-M208 WeakPolarHBondContact O-CB 3.36Å; T205-M208 PolarHBondContact O-N 3.29Å; T205-M208 VanDerWaalsContact O-N 3.16Å; T205-I223 HydrophobicContact CG2-CD1 4.19Å; T205-N240 WeakPolarHBondContact CB-ND2 3.39Å; T205-N240 HydrophobicContact CG2-CB 3.63Å
206A84.2Confident84.3Confident67 Ų6746.7 Ų46.755%0.55426%0.259SS*.Hα-helixtrans-63.9-15.2174.300000113.6G202 S203 L204G202-A206 WeakPolarHBondContact O-CB 3.48Å; G202-A206 PolarHBondContact O-N 3.41Å; S203-A206 PolarHBondContact O-N 2.71Å; L204-A206 VanDerWaalsContact C-N 3.33Å; L204-A206 PolarHBondContact O-N 3.37Å
207M84.9Confident84.4Confident4 Ų449.5 Ų49.52%0.0227%0.27CS..THydrogen-bonded Turntrans-80.7-14.8175.6-51.4-142.4-61.300114.1V175 L176 S203 L204 T205 P209 R210V175-M207 HydrophobicContact CG1-CE 3.61Å; L176-M207 HydrophobicContact CD2-CE 4.2Å; L176-M207 HydrophobicContact CD2-CG 4.37Å; L176-M207 HydrophobicContact CD2-SD 3.88Å; S203-M207 WeakPolarHBondContact O-CG 3.46Å; S203-M207 PolarHBondContact O-N 3.2Å; L204-M207 HydrophobicContact CD2-CE 4.47Å; L204-M207 WeakPolarHBondContact O-CB 3.47Å; L204-M207 PolarHBondContact O-N 3.47Å; T205-M207 PolarHBondContact O-N 3.33Å; T205-M207 VanDerWaalsContact O-N 3.15Å; M207-P209 VanDerWaalsContact C-N 3.28Å; M207-P209 WeakPolarHBondContact O-CD 3.45Å; M207-R210 WeakPolarHBondContact O-CB 3.17Å; M207-R210 PolarHBondContact O-N 2.96Å; M207-R210 PolarHBondContact SD-NH2 3.41Å
208M83.7Confident84.6Confident1 Ų152.3 Ų52.31%0.00528%0.283CS..G310 helixtrans-44.3-39.3-173.7-166.972.2174.900115.4T205 R210 Q216 L219 I220 Y247 L253T205-M208 WeakPolarHBondContact O-CB 3.36Å; T205-M208 PolarHBondContact O-N 3.29Å; T205-M208 VanDerWaalsContact O-N 3.16Å; M208-R210 PolarHBondContact O-N 3.4Å; M208-Q216 HydrophobicContact CE-CB 3.62Å; M208-Q216 HydrophobicContact CE-CG 3.84Å; M208-Q216 PolarHBondContact O-NE2 2.65Å; M208-Q216 HydrophobicContact SD-CB 4.05Å; M208-Q216 HydrophobicContact SD-CG 3.88Å; M208-L219 HydrophobicContact SD-CD2 3.9Å; M208-L219 HydrophobicContact SD-CG 4.48Å; M208-I220 HydrophobicContact CE-CD1 3.68Å; M208-I220 HydrophobicContact CE-CG1 3.84Å; M208-Y247 HydrophobicContact CB-CE2 4.25Å; M208-Y247 HydrophobicContact CE-CD2 4.28Å; M208-Y247 HydrophobicContact CE-CG 4.39Å; M208-Y247 HydrophobicContact CG-CD2 3.95Å; M208-Y247 HydrophobicContact CG-CE2 3.48Å; M208-Y247 VanDerWaalsContact CG-CE2 3.48Å; M208-L253 HydrophobicContact CE-CD1 4.39Å
209P81.8Confident84.7Confident84 Ų8450.2 Ų50.255%0.54527%0.273SS..G310 helixtrans-72.9-3.8177.5-16.432.4000116M207 Y247M207-P209 VanDerWaalsContact C-N 3.28Å; M207-P209 WeakPolarHBondContact O-CD 3.45Å; P209-Y247 VanDerWaalsContact CA-OH 3.22Å; P209-Y247 WeakPolarHBondContact CA-OH 3.41Å
210R82.6Confident84.7Confident164 Ų16442.9 Ų42.962%0.61924%0.239SC*.G310 helixtrans-114.90.7-177.1-52.1-175.3-60.5-169.14.1113.3H180 M207 M208H180-R210 PolarHBondContact CE1-O 3.48Å; H180-R210 VanDerWaalsContact CE1-O 3.26Å; M207-R210 WeakPolarHBondContact O-CB 3.17Å; M207-R210 PolarHBondContact O-N 2.96Å; M207-R210 PolarHBondContact SD-NH2 3.41Å; M208-R210 PolarHBondContact O-N 3.4Å
211L84.3Confident84.7Confident13 Ų1346.8 Ų46.87%0.06825%0.253CS..SBendtrans-96.9148.3-176.6-64.4-176.9000111.1H180 L183 E215 Q216 L219H180-L211 HydrophobicContact CB-CD2 3.99Å; H180-L211 WeakPolarHBondContact ND1-CD2 3.46Å; L183-L211 HydrophobicContact CD1-CD1 3.62Å; L183-L211 HydrophobicContact CD1-CD2 3.7Å; L183-L211 HydrophobicContact CD1-CG 4.3Å; L211-E215 HydrophobicContact CB-CB 4.02Å; L211-E215 HydrophobicContact CD2-CB 4.35Å; L211-Q216 HydrophobicContact CB-CG 3.67Å; L211-Q216 PolarHBondContact O-NE2 2.87Å; L211-L219 HydrophobicContact CD1-CB 4.25Å; L211-L219 HydrophobicContact CD1-CD2 3.59Å
212E84.7Confident84.9Confident132 Ų13246.6 Ų46.662%0.61725%0.252SS*.  trans-72.8156.9168.5-60.6-171.6171.600111.2P214 E215 Q216E212-P214 VanDerWaalsContact C-CD 3.49Å; E212-P214 HydrophobicContact CB-CG 4.22Å; E212-E215 HydrophobicContact CB-CG 4.31Å; E212-E215 PolarHBondContact N-OE2 3.2Å; E212-E215 WeakPolarHBondContact O-CA 3.47Å; E212-E215 WeakPolarHBondContact O-CB 3.11Å; E212-E215 PolarHBondContact O-N 3.03Å; E212-Q216 WeakPolarHBondContact O-CG 3.46Å; E212-Q216 PolarHBondContact O-N 3.34Å
213T82.2Confident84.9Confident63 Ų6344.7 Ų44.739%0.38723%0.232SC..Hα-helixtrans-46.8-45.8178.2-43.30000115.3E215 Q216 Q217 L253T213-E215 VanDerWaalsContact C-N 3.28Å; T213-E215 PolarHBondContact O-N 3.1Å; T213-Q216 WeakPolarHBondContact O-CB 3.43Å; T213-Q216 PolarHBondContact O-N 3.04Å; T213-Q217 WeakPolarHBondContact O-CG 3.45Å; T213-Q217 PolarHBondContact O-N 2.96Å; T213-Q217 VanDerWaalsContact O-N 3.07Å; T213-L253 HydrophobicContact CG2-CD2 4.13Å
214P84Confident84.6Confident48 Ų4842.8 Ų42.831%0.31222%0.216SC..Hα-helixtrans-64.9-30.517525.5-35.8000113.1E212 H218E212-P214 VanDerWaalsContact C-CD 3.49Å; E212-P214 HydrophobicContact CB-CG 4.22Å; P214-H218 PolarHBondContact O-N 3.08Å; P214-H218 PolarHBondContact O-ND1 2.89Å
215E86.4Confident84.4Confident24 Ų2444.2 Ų44.211%0.11222%0.223CC..Hα-helixtrans-76.1-39.6179.5-58.1176.315200110.5H180 L183 L211 E212 T213 Q217 H218 L219H180-E215 HydrophobicContact CB-CG 4.32Å; H180-E215 WeakPolarHBondContact CB-OE1 3.26Å; H180-E215 VanDerWaalsContact CB-OE2 3.3Å; H180-E215 WeakPolarHBondContact CB-OE2 3.36Å; H180-E215 IonicContact CG-OE2 3.18Å; H180-E215 IonicContact ND1-OE2 3.87Å; H180-E215 PolarHBondContact ND1-OE2 2.94Å; L183-E215 HydrophobicContact CD1-CB 4.05Å; L211-E215 HydrophobicContact CB-CB 4.02Å; L211-E215 HydrophobicContact CD2-CB 4.35Å; E212-E215 HydrophobicContact CB-CG 4.31Å; E212-E215 PolarHBondContact N-OE2 3.2Å; E212-E215 WeakPolarHBondContact O-CA 3.47Å; E212-E215 WeakPolarHBondContact O-CB 3.11Å; E212-E215 PolarHBondContact O-N 3.03Å; T213-E215 VanDerWaalsContact C-N 3.28Å; T213-E215 PolarHBondContact O-N 3.1Å; E215-Q217 VanDerWaalsContact C-N 3.32Å; E215-Q217 PolarHBondContact O-N 2.86Å; E215-H218 PolarHBondContact O-N 3.28Å; E215-L219 PolarHBondContact O-N 2.95Å
216Q87.2Confident84.3Confident19 Ų1944.2 Ų44.29%0.08922%0.223CC..Hα-helixtrans-56.7-42.1170-69.1175.2-25.500112M208 L211 E212 T213 H218 L219 I220 L253M208-Q216 HydrophobicContact CE-CB 3.62Å; M208-Q216 HydrophobicContact CE-CG 3.84Å; M208-Q216 PolarHBondContact O-NE2 2.65Å; M208-Q216 HydrophobicContact SD-CB 4.05Å; M208-Q216 HydrophobicContact SD-CG 3.88Å; L211-Q216 HydrophobicContact CB-CG 3.67Å; L211-Q216 PolarHBondContact O-NE2 2.87Å; E212-Q216 WeakPolarHBondContact O-CG 3.46Å; E212-Q216 PolarHBondContact O-N 3.34Å; T213-Q216 WeakPolarHBondContact O-CB 3.43Å; T213-Q216 PolarHBondContact O-N 3.04Å; Q216-H218 PolarHBondContact O-N 3.01Å; Q216-L219 PolarHBondContact O-N 3.03Å; Q216-I220 WeakPolarHBondContact O-CG1 3.28Å; Q216-I220 PolarHBondContact O-N 3.03Å; Q216-L253 HydrophobicContact CB-CD1 4.24Å; Q216-L253 HydrophobicContact CB-CD2 4.31Å
217Q87Confident83.8Confident88 Ų8841.3 Ų41.341%0.41120%0.2SC..Hα-helixtrans-61.5-41.7175.3-74.3178.9-2400112.9T213 E215 I220 R221 T252 L253T213-Q217 WeakPolarHBondContact O-CG 3.45Å; T213-Q217 PolarHBondContact O-N 2.96Å; T213-Q217 VanDerWaalsContact O-N 3.07Å; E215-Q217 VanDerWaalsContact C-N 3.32Å; E215-Q217 PolarHBondContact O-N 2.86Å; Q217-I220 PolarHBondContact O-N 2.92Å; Q217-R221 PolarHBondContact O-N 2.77Å; Q217-T252 PolarHBondContact NE2-O 3.5Å; Q217-L253 HydrophobicContact CG-CD2 3.45Å; Q217-L253 VanDerWaalsContact CG-CD2 3.45Å
218H88.6Confident83.2Confident58 Ų5845.9 Ų45.927%0.26922%0.221SC..Hα-helixtrans-70.6-35.8178.1-69.282.4000112.1L183 P214 E215 Q216 R221 L222L183-H218 HydrophobicContact CB-CB 4.3Å; P214-H218 PolarHBondContact O-N 3.08Å; P214-H218 PolarHBondContact O-ND1 2.89Å; E215-H218 PolarHBondContact O-N 3.28Å; Q216-H218 PolarHBondContact O-N 3.01Å; H218-R221 PolarHBondContact O-N 3.19Å; H218-L222 PolarHBondContact O-N 3.18Å
219L88.4Confident82.6Confident0 Ų051.5 Ų51.50%025%0.247CC..Hα-helixtrans-67-41.4172.8-17957000112.1L183 L204 M208 L211 E215 Q216 R221 L222 I223L183-L219 HydrophobicContact CD2-CB 4.38Å; L183-L219 HydrophobicContact CD2-CD1 4.33Å; L204-L219 HydrophobicContact CB-CD1 4.17Å; L204-L219 WeakPolarHBondContact O-CD2 3.39Å; M208-L219 HydrophobicContact SD-CD2 3.9Å; M208-L219 HydrophobicContact SD-CG 4.48Å; L211-L219 HydrophobicContact CD1-CB 4.25Å; L211-L219 HydrophobicContact CD1-CD2 3.59Å; E215-L219 PolarHBondContact O-N 2.95Å; Q216-L219 PolarHBondContact O-N 3.03Å; L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 2.84Å; L219-L222 HydrophobicContact CD1-CD2 4.49Å; L219-L222 WeakPolarHBondContact O-CB 3.49Å; L219-L222 PolarHBondContact O-N 3.38Å; L219-I223 HydrophobicContact CD1-CD1 4.34Å; L219-I223 HydrophobicContact CG-CD1 4.18Å; L219-I223 WeakPolarHBondContact O-CG1 3.36Å; L219-I223 PolarHBondContact O-N 3.26Å
220I84.7Confident82.1Confident1 Ų150.9 Ų50.91%0.00524%0.237CC..Hα-helixtrans-60.9-42.6172.3-70164.6000110.5M208 Q216 Q217 L222 I223 Q224 L253 A256 L257M208-I220 HydrophobicContact CE-CD1 3.68Å; M208-I220 HydrophobicContact CE-CG1 3.84Å; Q216-I220 WeakPolarHBondContact O-CG1 3.28Å; Q216-I220 PolarHBondContact O-N 3.03Å; Q217-I220 PolarHBondContact O-N 2.92Å; I220-L222 VanDerWaalsContact C-N 3.33Å; I220-L222 PolarHBondContact O-N 3.4Å; I220-I223 PolarHBondContact O-N 3.19Å; I220-I223 VanDerWaalsContact O-N 3.16Å; I220-Q224 WeakPolarHBondContact O-CG 3.49Å; I220-Q224 PolarHBondContact O-N 2.93Å; I220-L253 HydrophobicContact CD1-CB 4.06Å; I220-L253 HydrophobicContact CD1-CD1 4.33Å; I220-L253 HydrophobicContact CD1-CD2 4.15Å; I220-L253 HydrophobicContact CD1-CG 4.42Å; I220-A256 HydrophobicContact CG2-CB 3.76Å; I220-L257 HydrophobicContact CD1-CB 4.4Å
221R86.6Confident81.1Confident104 Ų10446.7 Ų46.739%0.39223%0.231SC..Hα-helixtrans-64.4-36.4177.1-174.655.5-177.5151.69.7112.4Q217 H218 L219 Q224 M225 E228Q217-R221 PolarHBondContact O-N 2.77Å; H218-R221 PolarHBondContact O-N 3.19Å; L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 2.84Å; R221-Q224 PolarHBondContact O-N 2.93Å; R221-M225 HydrophobicContact CG-SD 4.39Å; R221-M225 WeakPolarHBondContact O-CG 3.14Å; R221-M225 PolarHBondContact O-N 2.83Å; R221-E228 IonicContact CZ-OE1 3.59Å; R221-E228 IonicContact NH1-OE1 2.91Å; R221-E228 PolarHBondContact NH1-OE1 3.32Å; R221-E228 VanDerWaalsContact NH1-OE1 3.13Å; R221-E228 IonicContact NH2-OE1 2.74Å
222L86.9Confident79.9Confident1 Ų153.4 Ų53.41%0.00527%0.266CS..Hα-helixtrans-63-43.6171.8-172.963.8000111.5L186 P187 Y190 I197 L204 H218 L219 I220 M225 V226L186-L222 HydrophobicContact CB-CD1 4.09Å; L186-L222 HydrophobicContact CB-CD2 3.83Å; L186-L222 HydrophobicContact CD1-CD2 3.95Å; P187-L222 HydrophobicContact CG-CB 4.29Å; P187-L222 HydrophobicContact CG-CD1 4.46Å; Y190-L222 HydrophobicContact CD2-CD1 4.37Å; Y190-L222 HydrophobicContact CG-CD1 4.22Å; I197-L222 HydrophobicContact CD1-CD1 4.5Å; I197-L222 HydrophobicContact CG2-CD1 4.23Å; I197-L222 HydrophobicContact CG2-CD2 4Å; I197-L222 HydrophobicContact CG2-CG 4.34Å; L204-L222 HydrophobicContact CD1-CD2 4.29Å; H218-L222 PolarHBondContact O-N 3.18Å; L219-L222 HydrophobicContact CD1-CD2 4.49Å; L219-L222 WeakPolarHBondContact O-CB 3.49Å; L219-L222 PolarHBondContact O-N 3.38Å; I220-L222 VanDerWaalsContact C-N 3.33Å; I220-L222 PolarHBondContact O-N 3.4Å; L222-M225 PolarHBondContact O-N 2.86Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 2.91Å
223I81.9Confident78.7Confident2 Ų247.9 Ų47.91%0.0124%0.242CC..Hα-helixtrans-63.4-41.2177.4-69.7166.9000111.4L201 T205 L219 I220 V226 A227 L237 L244 A260L201-I223 HydrophobicContact CD1-CG1 4.47Å; T205-I223 HydrophobicContact CG2-CD1 4.19Å; L219-I223 HydrophobicContact CD1-CD1 4.34Å; L219-I223 HydrophobicContact CG-CD1 4.18Å; L219-I223 WeakPolarHBondContact O-CG1 3.36Å; L219-I223 PolarHBondContact O-N 3.26Å; I220-I223 PolarHBondContact O-N 3.19Å; I220-I223 VanDerWaalsContact O-N 3.16Å; I223-V226 PolarHBondContact O-N 2.85Å; I223-A227 WeakPolarHBondContact O-CB 3.46Å; I223-A227 PolarHBondContact O-N 3.36Å; I223-L237 HydrophobicContact CG2-CD2 3.64Å; I223-L244 HydrophobicContact CD1-CD2 4.2Å; I223-A260 HydrophobicContact CG2-CB 4.25Å
224Q78.9Confident77.5Confident23 Ų2345 Ų4511%0.10722%0.224CC..Hα-helixtrans-56.4-51.2170.9-71.2177.2-17.100111.2I220 R221 V226 A227 E228 A256 A260I220-Q224 WeakPolarHBondContact O-CG 3.49Å; I220-Q224 PolarHBondContact O-N 2.93Å; R221-Q224 PolarHBondContact O-N 2.93Å; Q224-V226 VanDerWaalsContact C-N 3.3Å; Q224-V226 PolarHBondContact O-N 3.39Å; Q224-A227 CarbonylContact O-C 3.59Å; Q224-A227 WeakPolarHBondContact O-CA 3.16Å; Q224-A227 WeakPolarHBondContact O-CB 3.49Å; Q224-A227 PolarHBondContact O-N 3.49Å; Q224-E228 WeakPolarHBondContact O-CG 3.14Å; Q224-E228 PolarHBondContact O-N 3.08Å; Q224-A256 PolarHBondContact NE2-O 2.91Å; Q224-A260 HydrophobicContact CG-CB 3.83Å
225M80.8Confident76.3Confident30 Ų3049.9 Ų49.915%0.14824%0.243CC..Hα-helixtrans-65.7-32-177.9-68.6177.263.500112.8P187 Y190 P191 R221 L222 Q229P187-M225 HydrophobicContact CB-SD 3.96Å; P187-M225 WeakPolarHBondContact O-CE 3.44Å; Y190-M225 HydrophobicContact CD1-CB 3.94Å; Y190-M225 HydrophobicContact CD1-CE 4.38Å; Y190-M225 HydrophobicContact CE1-CB 4.23Å; Y190-M225 VanDerWaalsContact CE1-O 3.27Å; Y190-M225 WeakPolarHBondContact CE1-O 3.3Å; P191-M225 HydrophobicContact CG-CE 4.03Å; R221-M225 HydrophobicContact CG-SD 4.39Å; R221-M225 WeakPolarHBondContact O-CG 3.14Å; R221-M225 PolarHBondContact O-N 2.83Å; L222-M225 PolarHBondContact O-N 2.86Å; M225-Q229 WeakPolarHBondContact O-CB 3.28Å; M225-Q229 VanDerWaalsContact O-CG 3.27Å; M225-Q229 WeakPolarHBondContact O-CG 3.41Å; M225-Q229 PolarHBondContact O-N 2.96Å
226V80.7Confident74.9Confident2 Ų256 Ų561%0.01227%0.273CS..Hα-helixtrans-63.9-43.8168.6172.40000111.3Y190 L201 L222 I223 Q224 H230Y190-V226 HydrophobicContact CD2-CG2 4.25Å; Y190-V226 HydrophobicContact CE1-CG2 4.45Å; Y190-V226 HydrophobicContact CE2-CG2 3.62Å; Y190-V226 WeakPolarHBondContact OH-CA 3.39Å; L201-V226 HydrophobicContact CD1-CG2 4.48Å; L201-V226 HydrophobicContact CD2-CG1 3.86Å; L201-V226 HydrophobicContact CD2-CG2 4.37Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 2.91Å; I223-V226 PolarHBondContact O-N 2.85Å; Q224-V226 VanDerWaalsContact C-N 3.3Å; Q224-V226 PolarHBondContact O-N 3.39Å; V226-H230 PolarHBondContact O-N 3.44Å
227A73.9Confident73.7Confident7 Ų755.2 Ų55.26%0.05827%0.269CS..Hα-helixtrans-68.1-42.5-177.800000113.2I223 Q224 L234 D263I223-A227 WeakPolarHBondContact O-CB 3.46Å; I223-A227 PolarHBondContact O-N 3.36Å; Q224-A227 CarbonylContact O-C 3.59Å; Q224-A227 WeakPolarHBondContact O-CA 3.16Å; Q224-A227 WeakPolarHBondContact O-CB 3.49Å; Q224-A227 PolarHBondContact O-N 3.49Å; A227-L234 HydrophobicContact CB-CD1 3.78Å; A227-L234 HydrophobicContact CB-CD2 4.11Å; A227-L234 HydrophobicContact CB-CG 4.25Å; A227-D263 HydrophobicContact CB-CB 3.54Å
228E72.7Confident72.6Confident99 Ų9953 Ų5346%0.46326%0.264SS..Hα-helixtrans-59.5-43.9174.4-71.4171.6-158.800112R221 Q224R221-E228 IonicContact CZ-OE1 3.59Å; R221-E228 IonicContact NH1-OE1 2.91Å; R221-E228 PolarHBondContact NH1-OE1 3.32Å; R221-E228 VanDerWaalsContact NH1-OE1 3.13Å; R221-E228 IonicContact NH2-OE1 2.74Å; Q224-E228 WeakPolarHBondContact O-CG 3.14Å; Q224-E228 PolarHBondContact O-N 3.08Å
229Q71Confident71.5Confident119 Ų11955.4 Ų55.456%0.55628%0.283SS*.Hα-helixtrans-92.6-37.6-168.4-64.4-70.5-42.100114.2Y190 M225Y190-Q229 HydrophobicContact CE1-CB 4.11Å; Y190-Q229 HydrophobicContact CE1-CG 4.04Å; M225-Q229 WeakPolarHBondContact O-CB 3.28Å; M225-Q229 VanDerWaalsContact O-CG 3.27Å; M225-Q229 WeakPolarHBondContact O-CG 3.41Å; M225-Q229 PolarHBondContact O-N 2.96Å
230H70.4Confident70.6Confident71 Ų7156.6 Ų56.633%0.32929%0.289SS..  trans-137.485.4-169.1-70.1-39.5000113.3Y190 H198 V226 L232 S233Y190-H230 PolarHBondContact OH-CD2 3.22Å; H198-H230 AromaticContact CE1-CD2 3.37Å; H198-H230 PolarHBondContact CE1-CD2 2.72Å; H198-H230 AromaticContact CE1-CG 3.87Å; H198-H230 AromaticContact NE2-CD2 3.79Å; V226-H230 PolarHBondContact O-N 3.44Å; H230-L232 PolarHBondContact O-N 3Å; H230-S233 VanDerWaalsContact CB-OG 3.22Å; H230-S233 WeakPolarHBondContact CB-OG 3.31Å; H230-S233 PolarHBondContact O-N 2.63Å; H230-S233 PolarHBondContact O-OG 3.38Å
231P62Low70.2Confident77 Ų7756.6 Ų56.650%0.529%0.289SS..THydrogen-bonded Turntrans-59-17.9178.2-28.637.1000116.3A267P231-A267 HydrophobicContact CB-CB 3.98Å
232L58Low69.9Low154 Ų15454.8 Ų54.881%0.80629%0.291SS*.THydrogen-bonded Turntrans-79.5-36.8178.5-63.7175.9000112.6H230 L234 Q235H230-L232 PolarHBondContact O-N 3Å; L232-L234 PolarHBondContact O-N 3.39Å; L232-Q235 PolarHBondContact O-N 2.93Å
233S59.7Low69.5Low16 Ų1657.3 Ų57.311%0.11231%0.306CS..THydrogen-bonded Turntrans-64.3-25173.625.60000112.7H198 H230 Q235 M236H198-S233 PolarHBondContact CE1-OG 3.08Å; H198-S233 PolarHBondContact NE2-OG 2.9Å; H230-S233 VanDerWaalsContact CB-OG 3.22Å; H230-S233 WeakPolarHBondContact CB-OG 3.31Å; H230-S233 PolarHBondContact O-N 2.63Å; H230-S233 PolarHBondContact O-OG 3.38Å; S233-Q235 PolarHBondContact O-N 2.89Å; S233-M236 WeakPolarHBondContact O-CB 3.32Å; S233-M236 PolarHBondContact O-N 3.38Å; S233-M236 VanDerWaalsContact O-N 3.11Å
234L57.5Low69.3Low2 Ų257.3 Ų57.31%0.0131%0.306CS..Hα-helixtrans-62.7-22.7175.8-87.4170.8000113.9A227 L232 M236 L237 S238 V264 A267A227-L234 HydrophobicContact CB-CD1 3.78Å; A227-L234 HydrophobicContact CB-CD2 4.11Å; A227-L234 HydrophobicContact CB-CG 4.25Å; L232-L234 PolarHBondContact O-N 3.39Å; L234-M236 PolarHBondContact O-N 3.3Å; L234-L237 HydrophobicContact CD2-CB 4.02Å; L234-L237 HydrophobicContact CD2-CD2 3.84Å; L234-L237 WeakPolarHBondContact O-CB 3.49Å; L234-L237 PolarHBondContact O-N 3.17Å; L234-S238 PolarHBondContact O-N 2.97Å; L234-V264 HydrophobicContact CD2-CB 4.33Å; L234-V264 HydrophobicContact CD2-CG2 3.56Å; L234-A267 HydrophobicContact CB-CB 4.05Å; L234-A267 HydrophobicContact CD1-CB 3.44Å; L234-A267 VanDerWaalsContact CD1-CB 3.44Å; L234-A267 HydrophobicContact CG-CB 4.4Å
235Q58.5Low69.4Low151 Ų15157 Ų5771%0.70631%0.306SS*.Hα-helixtrans-61.6-31.3174.4-167.8172.16.700111.8L232 S233 S238L232-Q235 PolarHBondContact O-N 2.93Å; S233-Q235 PolarHBondContact O-N 2.89Å; Q235-S238 PolarHBondContact O-OG 3.09Å
236M57.5Low69.4Low151 Ų15158.9 Ų58.974%0.74432%0.322SS*.Hα-helixtrans-75.3-27.1173.2-59.1-122.669.200112.7S233 L234 S238S233-M236 WeakPolarHBondContact O-CB 3.32Å; S233-M236 PolarHBondContact O-N 3.38Å; S233-M236 VanDerWaalsContact O-N 3.11Å; L234-M236 PolarHBondContact O-N 3.3Å; M236-S238 VanDerWaalsContact C-N 3.32Å
237L61.9Low69.3Low3 Ų360.6 Ų60.62%0.01633%0.329CS..Hα-helixtrans-76.8-18.6178.3-148.791.3000112.9L201 I223 L234 T239 N240 V241 L244 V264L201-L237 HydrophobicContact CD1-CD1 4.37Å; L201-L237 HydrophobicContact CD2-CD1 3.95Å; L201-L237 HydrophobicContact CG-CD1 4Å; I223-L237 HydrophobicContact CG2-CD2 3.64Å; L234-L237 HydrophobicContact CD2-CB 4.02Å; L234-L237 HydrophobicContact CD2-CD2 3.84Å; L234-L237 WeakPolarHBondContact O-CB 3.49Å; L234-L237 PolarHBondContact O-N 3.17Å; L237-T239 PolarHBondContact O-N 2.93Å; L237-T239 VanDerWaalsContact O-N 3.16Å; L237-N240 WeakPolarHBondContact O-CA 3.42Å; L237-N240 WeakPolarHBondContact O-CB 3.2Å; L237-N240 PolarHBondContact O-N 3.33Å; L237-V241 PolarHBondContact O-N 3.37Å; L237-L244 HydrophobicContact CD2-CD1 3.96Å; L237-V264 HydrophobicContact CD2-CG2 4.01Å
238S64.3Low69.5Low42 Ų4260.5 Ų60.529%0.29433%0.327SS..G310 helixtrans-54-34.6-179.566.50000113.6L234 Q235 M236 N240 V241L234-S238 PolarHBondContact O-N 2.97Å; Q235-S238 PolarHBondContact O-OG 3.09Å; M236-S238 VanDerWaalsContact C-N 3.32Å; S238-N240 VanDerWaalsContact C-N 3.27Å; S238-N240 PolarHBondContact O-N 2.88Å; S238-V241 PolarHBondContact O-N 3.38Å
239T65.6Low69.6Low109 Ų10960.7 Ų60.767%0.66934%0.34SS*.G310 helixtrans-64.5-27.8174.4-49.30000113.3L237 P242L237-T239 PolarHBondContact O-N 2.93Å; L237-T239 VanDerWaalsContact O-N 3.16Å; T239-P242 WeakPolarHBondContact O-CD 3.45Å
240N70.1Confident70Confident25 Ų2559.7 Ų59.713%0.13434%0.335CS..G310 helixtrans-95.1-7.5-174.7-58.7-26.2000113.2T205 L237 S238 P242 T243 L244T205-N240 WeakPolarHBondContact CB-ND2 3.39Å; T205-N240 HydrophobicContact CG2-CB 3.63Å; L237-N240 WeakPolarHBondContact O-CA 3.42Å; L237-N240 WeakPolarHBondContact O-CB 3.2Å; L237-N240 PolarHBondContact O-N 3.33Å; S238-N240 VanDerWaalsContact C-N 3.27Å; S238-N240 PolarHBondContact O-N 2.88Å; N240-P242 VanDerWaalsContact C-N 3.34Å; N240-T243 WeakPolarHBondContact O-CB 3.39Å; N240-T243 PolarHBondContact O-N 2.82Å; N240-T243 VanDerWaalsContact O-N 3.08Å; N240-L244 PolarHBondContact O-N 3.24Å
241V76.3Confident70.2Confident1 Ų161.2 Ų61.21%0.00635%0.351CS..Hα-helixtrans-51.7-41.4176.2172.70000113.6L237 S238 T243 L244 V245 V264 L272 F275L237-V241 PolarHBondContact O-N 3.37Å; S238-V241 PolarHBondContact O-N 3.38Å; V241-T243 VanDerWaalsContact C-N 3.32Å; V241-T243 PolarHBondContact O-N 3.34Å; V241-L244 PolarHBondContact O-N 3.43Å; V241-V245 HydrophobicContact CG1-CG2 4.2Å; V241-V245 WeakPolarHBondContact O-CB 3.38Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; V241-V245 PolarHBondContact O-N 3.02Å; V241-V264 HydrophobicContact CG2-CG1 3.96Å; V241-L272 HydrophobicContact CG1-CD2 3.45Å; V241-L272 VanDerWaalsContact CG1-CD2 3.45Å; V241-L272 HydrophobicContact CG1-CG 4.17Å; V241-F275 HydrophobicContact CG1-CD2 3.89Å; V241-F275 HydrophobicContact CG1-CE2 3.97Å
242P80.1Confident71Confident65 Ų6561.3 Ų61.342%0.42235%0.35SS..Hα-helixtrans-61.7-39.7177-20.131.9000112.7T239 N240 S246 F275T239-P242 WeakPolarHBondContact O-CD 3.45Å; N240-P242 VanDerWaalsContact C-N 3.34Å; P242-S246 PolarHBondContact O-N 3.46Å; P242-F275 HydrophobicContact CB-CE1 4.44Å; P242-F275 HydrophobicContact CB-CZ 3.83Å; P242-F275 HydrophobicContact CG-CE2 4.25Å; P242-F275 HydrophobicContact CG-CZ 3.83Å
243T76.9Confident72Confident54 Ų5454.1 Ų54.133%0.33131%0.313SS..Hα-helixtrans-66-47.2176.3-54.10000110.5N240 V241 V245 S246 Y247N240-T243 WeakPolarHBondContact O-CB 3.39Å; N240-T243 PolarHBondContact O-N 2.82Å; N240-T243 VanDerWaalsContact O-N 3.08Å; V241-T243 VanDerWaalsContact C-N 3.32Å; V241-T243 PolarHBondContact O-N 3.34Å; T243-V245 PolarHBondContact O-N 3.43Å; T243-S246 PolarHBondContact O-N 3.33Å; T243-S246 PolarHBondContact O-OG 3.02Å; T243-Y247 HydrophobicContact CG2-CE2 4.07Å; T243-Y247 WeakPolarHBondContact O-CD2 3.46Å
244L78.2Confident73.1Confident2 Ų253.6 Ų53.61%0.0131%0.309CS..Hα-helixtrans-57.9-47.4176-69.4175.4000111.6I223 L237 N240 V241 S246 Y247 L257 L261I223-L244 HydrophobicContact CD1-CD2 4.2Å; L237-L244 HydrophobicContact CD2-CD1 3.96Å; N240-L244 PolarHBondContact O-N 3.24Å; V241-L244 PolarHBondContact O-N 3.43Å; L244-S246 PolarHBondContact O-N 3.14Å; L244-Y247 PolarHBondContact O-N 3.02Å; L244-Y247 VanDerWaalsContact O-N 3.1Å; L244-L257 HydrophobicContact CB-CD1 4.03Å; L244-L257 HydrophobicContact CD2-CD1 4.06Å; L244-L257 WeakPolarHBondContact O-CD2 3.44Å; L244-L261 HydrophobicContact CB-CD2 4.47Å
245V81.2Confident74.3Confident16 Ų1659.8 Ų59.810%0.09734%0.338CS..Hα-helixtrans-59.5-32.1178.9166.80000112.7V241 T243 Y247 L248 L261 F275V241-V245 HydrophobicContact CG1-CG2 4.2Å; V241-V245 WeakPolarHBondContact O-CB 3.38Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; V241-V245 PolarHBondContact O-N 3.02Å; T243-V245 PolarHBondContact O-N 3.43Å; V245-Y247 PolarHBondContact O-N 2.9Å; V245-L248 HydrophobicContact CB-CD1 4.44Å; V245-L248 HydrophobicContact CG1-CD1 4.18Å; V245-L248 HydrophobicContact CG2-CD1 4.43Å; V245-L248 WeakPolarHBondContact O-CB 3.22Å; V245-L248 PolarHBondContact O-N 2.75Å; V245-L261 HydrophobicContact CG2-CD1 4.47Å; V245-L261 HydrophobicContact CG2-CD2 4.4Å; V245-F275 HydrophobicContact CB-CD1 4.25Å; V245-F275 HydrophobicContact CB-CG 4.4Å; V245-F275 HydrophobicContact CG1-CB 4.22Å; V245-F275 HydrophobicContact CG1-CD1 3.75Å; V245-F275 HydrophobicContact CG1-CE1 4.47Å; V245-F275 HydrophobicContact CG1-CG 4.13Å; V245-F275 HydrophobicContact CG2-CB 4.03Å; V245-F275 HydrophobicContact CG2-CD1 4.29Å; V245-F275 HydrophobicContact CG2-CD2 4.32Å; V245-F275 HydrophobicContact CG2-CG 3.94Å
246S80.7Confident75.4Confident70 Ų7054.3 Ų54.349%0.4932%0.319SS..Hα-helixtrans-64.2-23.9177.372.20000114.5P242 T243 L244P242-S246 PolarHBondContact O-N 3.46Å; T243-S246 PolarHBondContact O-N 3.33Å; T243-S246 PolarHBondContact O-OG 3.02Å; L244-S246 PolarHBondContact O-N 3.14Å
247Y79.3Confident76.6Confident38 Ų3847.2 Ų47.215%0.14928%0.283CS..G310 helixtrans-86.2-1.2177.7-67.8-74.5000114.1M208 P209 T243 L244 V245 S249 E250 L253 L257M208-Y247 HydrophobicContact CB-CE2 4.25Å; M208-Y247 HydrophobicContact CE-CD2 4.28Å; M208-Y247 HydrophobicContact CE-CG 4.39Å; M208-Y247 HydrophobicContact CG-CD2 3.95Å; M208-Y247 HydrophobicContact CG-CE2 3.48Å; M208-Y247 VanDerWaalsContact CG-CE2 3.48Å; P209-Y247 VanDerWaalsContact CA-OH 3.22Å; P209-Y247 WeakPolarHBondContact CA-OH 3.41Å; T243-Y247 HydrophobicContact CG2-CE2 4.07Å; T243-Y247 WeakPolarHBondContact O-CD2 3.46Å; L244-Y247 PolarHBondContact O-N 3.02Å; L244-Y247 VanDerWaalsContact O-N 3.1Å; V245-Y247 PolarHBondContact O-N 2.9Å; Y247-S249 PolarHBondContact O-N 3.37Å; Y247-S249 VanDerWaalsContact O-N 3.15Å; Y247-E250 PolarHBondContact O-N 3.3Å; Y247-L253 HydrophobicContact CD1-CD1 4.48Å; Y247-L257 VanDerWaalsContact C-CD2 3.47Å
248L77.6Confident77.8Confident6 Ų647 Ų473%0.03128%0.283CS..G310 helixtrans-62.5-21.8177.3-75.5169.8000113.3V245 E250 T254 L257 L258 L261 L279 V282V245-L248 HydrophobicContact CB-CD1 4.44Å; V245-L248 HydrophobicContact CG1-CD1 4.18Å; V245-L248 HydrophobicContact CG2-CD1 4.43Å; V245-L248 WeakPolarHBondContact O-CB 3.22Å; V245-L248 PolarHBondContact O-N 2.75Å; L248-E250 PolarHBondContact O-N 3.29Å; L248-T254 HydrophobicContact CD2-CG2 4.16Å; L248-T254 WeakPolarHBondContact O-CG2 3.13Å; L248-T254 PolarHBondContact O-OG1 3.32Å; L248-L257 HydrophobicContact CB-CD2 4.49Å; L248-L257 HydrophobicContact CD2-CB 4.39Å; L248-L257 HydrophobicContact CD2-CD2 3.79Å; L248-L257 HydrophobicContact CD2-CG 3.87Å; L248-L257 HydrophobicContact CG-CD2 3.91Å; L248-L257 HydrophobicContact CG-CG 4.35Å; L248-L258 HydrophobicContact CD2-CD2 3.83Å; L248-L258 HydrophobicContact CD2-CG 3.82Å; L248-L261 HydrophobicContact CD1-CD1 4.03Å; L248-L261 HydrophobicContact CD2-CD1 3.95Å; L248-L261 HydrophobicContact CG-CD1 4.23Å; L248-L279 HydrophobicContact CD1-CD2 3.73Å; L248-V282 HydrophobicContact CB-CG2 4.05Å; L248-V282 HydrophobicContact CD1-CG2 4.48Å
249S75.1Confident78.8Confident103 Ų10345.6 Ų45.672%0.7228%0.275SS*.G310 helixtrans-67.9-17.8173.8-51.60000114.2Y247 P251Y247-S249 PolarHBondContact O-N 3.37Å; Y247-S249 VanDerWaalsContact O-N 3.15Å; S249-P251 WeakPolarHBondContact O-CD 3.35Å
250E78.5Confident79.5Confident97 Ų9740.5 Ų40.545%0.45324%0.244SC..  trans-90.5104.3-178-74.7-63.4160.800111Y247 L248 T252 L253 T254Y247-E250 PolarHBondContact O-N 3.3Å; L248-E250 PolarHBondContact O-N 3.29Å; E250-T252 PolarHBondContact O-N 3.06Å; E250-L253 HydrophobicContact CB-CB 4.29Å; E250-L253 HydrophobicContact CB-CD1 4.06Å; E250-L253 HydrophobicContact CB-CG 4.13Å; E250-L253 PolarHBondContact O-N 2.88Å; E250-T254 PolarHBondContact O-N 3.1Å; E250-T254 PolarHBondContact O-OG1 3.18Å
251P76.3Confident80.2Confident103 Ų10339.4 Ų39.467%0.66924%0.237SC*.THydrogen-bonded Turntrans-65.1-18.3-167.726.9-36000114S249 L253 T254S249-P251 WeakPolarHBondContact O-CD 3.35Å; P251-L253 VanDerWaalsContact C-N 3.3Å; P251-T254 WeakPolarHBondContact CA-OG1 3.31Å
252T77.6Confident80.7Confident80 Ų8039.8 Ų39.849%0.49124%0.24SC..THydrogen-bonded Turntrans-79.9-11.1175.357.10000113.5Q217 E250Q217-T252 PolarHBondContact NE2-O 3.5Å; E250-T252 PolarHBondContact O-N 3.06Å
253L79.1Confident80.7Confident2 Ų239.1 Ų39.11%0.0123%0.233CC..THydrogen-bonded Turntrans-116.5-29-179.5-54.3-176.5000112.2M208 T213 Q216 Q217 I220 Y247 E250 P251 E255 A256 L257M208-L253 HydrophobicContact CE-CD1 4.39Å; T213-L253 HydrophobicContact CG2-CD2 4.13Å; Q216-L253 HydrophobicContact CB-CD1 4.24Å; Q216-L253 HydrophobicContact CB-CD2 4.31Å; Q217-L253 HydrophobicContact CG-CD2 3.45Å; Q217-L253 VanDerWaalsContact CG-CD2 3.45Å; I220-L253 HydrophobicContact CD1-CB 4.06Å; I220-L253 HydrophobicContact CD1-CD1 4.33Å; I220-L253 HydrophobicContact CD1-CD2 4.15Å; I220-L253 HydrophobicContact CD1-CG 4.42Å; Y247-L253 HydrophobicContact CD1-CD1 4.48Å; E250-L253 HydrophobicContact CB-CB 4.29Å; E250-L253 HydrophobicContact CB-CD1 4.06Å; E250-L253 HydrophobicContact CB-CG 4.13Å; E250-L253 PolarHBondContact O-N 2.88Å; P251-L253 VanDerWaalsContact C-N 3.3Å; L253-E255 VanDerWaalsContact C-N 3.32Å; L253-E255 PolarHBondContact O-N 2.81Å; L253-E255 VanDerWaalsContact O-N 3.13Å; L253-A256 PolarHBondContact O-N 3.44Å; L253-L257 WeakPolarHBondContact O-CB 3.48Å; L253-L257 PolarHBondContact O-N 3.13Å
254T82.8Confident80.9Confident6 Ų636.6 Ų36.64%0.03722%0.217CC..Hα-helixtrans-49-43.8-170.3-470000114.1L248 E250 P251 L258 V282 F289L248-T254 HydrophobicContact CD2-CG2 4.16Å; L248-T254 WeakPolarHBondContact O-CG2 3.13Å; L248-T254 PolarHBondContact O-OG1 3.32Å; E250-T254 PolarHBondContact O-N 3.1Å; E250-T254 PolarHBondContact O-OG1 3.18Å; P251-T254 WeakPolarHBondContact CA-OG1 3.31Å; T254-L258 HydrophobicContact CG2-CD1 3.88Å; T254-L258 HydrophobicContact CG2-CG 4.28Å; T254-L258 VanDerWaalsContact O-CB 3.25Å; T254-L258 WeakPolarHBondContact O-CB 3.44Å; T254-L258 WeakPolarHBondContact O-CG 3.48Å; T254-L258 PolarHBondContact O-N 2.88Å; T254-V282 HydrophobicContact CG2-CG1 3.62Å; T254-F289 HydrophobicContact CG2-CD2 3.89Å; T254-F289 HydrophobicContact CG2-CE2 3.56Å; T254-F289 HydrophobicContact CG2-CZ 3.94Å
255E83.3Confident81.2Confident131 Ų13136.5 Ų36.561%0.61222%0.217SC*.Hα-helixtrans-65.6-53.4-178.2-172.3175.4-173.100112.5L253 L257 L258 G259 F289L253-E255 VanDerWaalsContact C-N 3.32Å; L253-E255 PolarHBondContact O-N 2.81Å; L253-E255 VanDerWaalsContact O-N 3.13Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3.28Å; E255-L258 PolarHBondContact O-N 2.95Å; E255-G259 PolarHBondContact O-N 3.27Å; E255-F289 HydrophobicContact CB-CE1 3.95Å; E255-F289 HydrophobicContact CG-CE1 4.41Å
256A80.4Confident81.3Confident37 Ų3740.7 Ų40.731%0.30624%0.235SC..Hα-helixtrans-64.3-37.6179.400000111.6I220 Q224 L253 G259 A260I220-A256 HydrophobicContact CG2-CB 3.76Å; Q224-A256 PolarHBondContact NE2-O 2.91Å; L253-A256 PolarHBondContact O-N 3.44Å; A256-G259 PolarHBondContact O-N 3.11Å; A256-A260 PolarHBondContact O-N 3.41Å
257L84Confident81.2Confident1 Ų139.3 Ų39.31%0.00523%0.228CC..Hα-helixtrans-65.6-41.8176.3-176.657.8000111.9I220 L244 Y247 L248 L253 E255 G259 A260 L261I220-L257 HydrophobicContact CD1-CB 4.4Å; L244-L257 HydrophobicContact CB-CD1 4.03Å; L244-L257 HydrophobicContact CD2-CD1 4.06Å; L244-L257 WeakPolarHBondContact O-CD2 3.44Å; Y247-L257 VanDerWaalsContact C-CD2 3.47Å; L248-L257 HydrophobicContact CB-CD2 4.49Å; L248-L257 HydrophobicContact CD2-CB 4.39Å; L248-L257 HydrophobicContact CD2-CD2 3.79Å; L248-L257 HydrophobicContact CD2-CG 3.87Å; L248-L257 HydrophobicContact CG-CD2 3.91Å; L248-L257 HydrophobicContact CG-CG 4.35Å; L253-L257 WeakPolarHBondContact O-CB 3.48Å; L253-L257 PolarHBondContact O-N 3.13Å; E255-L257 VanDerWaalsContact C-N 3.29Å; E255-L257 PolarHBondContact O-N 3.28Å; L257-G259 VanDerWaalsContact C-N 3.34Å; L257-A260 PolarHBondContact O-N 3.29Å; L257-L261 HydrophobicContact CD1-CD1 4.41Å; L257-L261 HydrophobicContact CG-CD1 4.15Å; L257-L261 WeakPolarHBondContact O-CB 3.33Å; L257-L261 WeakPolarHBondContact O-CG 3.41Å; L257-L261 PolarHBondContact O-N 3.47Å
258L85.7Confident81.1Confident0 Ų038.3 Ų38.30%023%0.226CC..Hα-helixtrans-65.5-35.3172.8-79.3173.5000112.6L248 T254 E255 L261 V262 L279 V282 F289 H292 V293L248-L258 HydrophobicContact CD2-CD2 3.83Å; L248-L258 HydrophobicContact CD2-CG 3.82Å; T254-L258 HydrophobicContact CG2-CD1 3.88Å; T254-L258 HydrophobicContact CG2-CG 4.28Å; T254-L258 VanDerWaalsContact O-CB 3.25Å; T254-L258 WeakPolarHBondContact O-CB 3.44Å; T254-L258 WeakPolarHBondContact O-CG 3.48Å; T254-L258 PolarHBondContact O-N 2.88Å; E255-L258 PolarHBondContact O-N 2.95Å; L258-L261 PolarHBondContact O-N 3.33Å; L258-V262 WeakPolarHBondContact O-CG2 3.41Å; L258-V262 PolarHBondContact O-N 2.9Å; L258-L279 HydrophobicContact CD2-CD2 3.79Å; L258-V282 HydrophobicContact CD1-CG1 4.05Å; L258-F289 HydrophobicContact CD1-CB 3.54Å; L258-F289 HydrophobicContact CD1-CD1 3.83Å; L258-F289 HydrophobicContact CD1-CD2 4.14Å; L258-F289 HydrophobicContact CD1-CG 3.57Å; L258-H292 HydrophobicContact CB-CB 3.81Å; L258-H292 HydrophobicContact CD1-CB 4.44Å; L258-H292 HydrophobicContact CD2-CB 4.48Å; L258-H292 HydrophobicContact CG-CB 4.49Å; L258-V293 HydrophobicContact CD2-CG2 4.42Å
259G85.4Confident81.3Confident12 Ų1239 Ų3912%0.12423%0.231CC..Hα-helixtrans-55-58.4168.300000111.3E255 A256 L257 L261 V262 D263E255-G259 PolarHBondContact O-N 3.27Å; A256-G259 PolarHBondContact O-N 3.11Å; L257-G259 VanDerWaalsContact C-N 3.34Å; G259-L261 VanDerWaalsContact C-N 3.27Å; G259-L261 PolarHBondContact O-N 3.24Å; G259-V262 WeakPolarHBondContact O-CB 3.36Å; G259-V262 PolarHBondContact O-N 3.18Å; G259-D263 PolarHBondContact O-N 3.4Å
260A81.1Confident81.7Confident2 Ų238.3 Ų38.32%0.01723%0.226CC..Hα-helixtrans-56.3-39.317800000112.8I223 Q224 A256 L257 D263 V264I223-A260 HydrophobicContact CG2-CB 4.25Å; Q224-A260 HydrophobicContact CG-CB 3.83Å; A256-A260 PolarHBondContact O-N 3.41Å; L257-A260 PolarHBondContact O-N 3.29Å; A260-D263 PolarHBondContact O-N 2.86Å; A260-V264 WeakPolarHBondContact O-CB 3.43Å; A260-V264 WeakPolarHBondContact O-CG2 3.3Å; A260-V264 PolarHBondContact O-N 2.95Å
261L84.6Confident81.9Confident1 Ų134.7 Ų34.71%0.00521%0.212CC..Hα-helixtrans-70.9-27.7178.6-68.3167.3000113.2L244 V245 L248 L257 L258 G259 S265 L272 L279 I296L244-L261 HydrophobicContact CB-CD2 4.47Å; V245-L261 HydrophobicContact CG2-CD1 4.47Å; V245-L261 HydrophobicContact CG2-CD2 4.4Å; L248-L261 HydrophobicContact CD1-CD1 4.03Å; L248-L261 HydrophobicContact CD2-CD1 3.95Å; L248-L261 HydrophobicContact CG-CD1 4.23Å; L257-L261 HydrophobicContact CD1-CD1 4.41Å; L257-L261 HydrophobicContact CG-CD1 4.15Å; L257-L261 WeakPolarHBondContact O-CB 3.33Å; L257-L261 WeakPolarHBondContact O-CG 3.41Å; L257-L261 PolarHBondContact O-N 3.47Å; L258-L261 PolarHBondContact O-N 3.33Å; G259-L261 VanDerWaalsContact C-N 3.27Å; G259-L261 PolarHBondContact O-N 3.24Å; L261-S265 VanDerWaalsContact O-CB 3.32Å; L261-S265 WeakPolarHBondContact O-CB 3.44Å; L261-S265 PolarHBondContact O-N 3.33Å; L261-L272 HydrophobicContact CD2-CD2 3.9Å; L261-L272 WeakPolarHBondContact O-CD1 3.33Å; L261-L279 HydrophobicContact CD1-CD2 4.41Å; L261-I296 HydrophobicContact CB-CD1 4.05Å
262V86.1Confident82.3Confident9 Ų929.8 Ų29.86%0.05518%0.18CC..Hα-helixtrans-62.6-49.3167.7167.20000109.8L258 G259 S265 Q266 H292 K295 I296L258-V262 WeakPolarHBondContact O-CG2 3.41Å; L258-V262 PolarHBondContact O-N 2.9Å; G259-V262 WeakPolarHBondContact O-CB 3.36Å; G259-V262 PolarHBondContact O-N 3.18Å; V262-S265 WeakPolarHBondContact O-CA 3.23Å; V262-S265 WeakPolarHBondContact O-CB 3.35Å; V262-S265 PolarHBondContact O-N 2.9Å; V262-S265 PolarHBondContact O-OG 3.1Å; V262-Q266 PolarHBondContact O-N 3.02Å; V262-Q266 VanDerWaalsContact O-N 3.11Å; V262-H292 HydrophobicContact CG2-CB 3.76Å; V262-H292 WeakPolarHBondContact CG2-O 3.35Å; V262-K295 HydrophobicContact CG1-CB 3.99Å; V262-K295 HydrophobicContact CG1-CD 3.87Å; V262-K295 HydrophobicContact CG2-CB 4.05Å; V262-K295 HydrophobicContact CG2-CD 4.36Å; V262-I296 HydrophobicContact CB-CG1 4.47Å; V262-I296 HydrophobicContact CG2-CD1 4.16Å; V262-I296 HydrophobicContact CG2-CG1 3.86Å
263D80.8Confident82.7Confident51 Ų5128.1 Ų28.127%0.27317%0.17SC..Hα-helixtrans-68.8-40.3-176-55-41.9000111.6A227 G259 A260 S265 Q266 A267A227-D263 HydrophobicContact CB-CB 3.54Å; G259-D263 PolarHBondContact O-N 3.4Å; A260-D263 PolarHBondContact O-N 2.86Å; D263-S265 PolarHBondContact O-N 3.44Å; D263-Q266 PolarHBondContact O-N 2.7Å; D263-A267 PolarHBondContact O-N 3.4Å
264V81.1Confident83Confident1 Ų132.1 Ų32.11%0.00620%0.198CC..Hα-helixtrans-54.7-40.7167.6173.10000111.3L234 L237 V241 A260 A267 S268 L272L234-V264 HydrophobicContact CD2-CB 4.33Å; L234-V264 HydrophobicContact CD2-CG2 3.56Å; L237-V264 HydrophobicContact CD2-CG2 4.01Å; V241-V264 HydrophobicContact CG2-CG1 3.96Å; A260-V264 WeakPolarHBondContact O-CB 3.43Å; A260-V264 WeakPolarHBondContact O-CG2 3.3Å; A260-V264 PolarHBondContact O-N 2.95Å; V264-A267 PolarHBondContact O-N 3.43Å; V264-S268 CarbonylContact O-C 3.54Å; V264-S268 PolarHBondContact O-N 2.79Å; V264-S268 PolarHBondContact O-OG 3.35Å; V264-S268 VanDerWaalsContact O-OG 3.14Å; V264-L272 HydrophobicContact CB-CD1 4.43Å; V264-L272 HydrophobicContact CG1-CD1 4.03Å
265S84.5Confident83.1Confident0 Ų034.1 Ų34.10%021%0.206CC..Hα-helixtrans-68.4-31.8179.8810000113.4L261 V262 D263 P269 L272 A299L261-S265 VanDerWaalsContact O-CB 3.32Å; L261-S265 WeakPolarHBondContact O-CB 3.44Å; L261-S265 PolarHBondContact O-N 3.33Å; V262-S265 WeakPolarHBondContact O-CA 3.23Å; V262-S265 WeakPolarHBondContact O-CB 3.35Å; V262-S265 PolarHBondContact O-N 2.9Å; V262-S265 PolarHBondContact O-OG 3.1Å; D263-S265 PolarHBondContact O-N 3.44Å; S265-P269 VanDerWaalsContact O-CA 3.31Å; S265-P269 WeakPolarHBondContact O-CA 3.27Å; S265-P269 WeakPolarHBondContact O-CB 3.45Å; S265-P269 WeakPolarHBondContact O-CD 3.44Å; S265-P269 WeakPolarHBondContact O-CG 3.35Å; S265-L272 VanDerWaalsContact CB-CD1 3.49Å; S265-A299 WeakPolarHBondContact O-CB 3.4Å; S265-A299 WeakPolarHBondContact OG-CB 3.18Å
266Q82.9Confident83.3Confident105 Ų10528.6 Ų28.649%0.49118%0.181SC..Hα-helixtrans-73-35177.1-60.3-60.8-22.700111.9V262 D263V262-Q266 PolarHBondContact O-N 3.02Å; V262-Q266 VanDerWaalsContact O-N 3.11Å; D263-Q266 PolarHBondContact O-N 2.7Å
267A78.3Confident83.6Confident40 Ų4031 Ų3133%0.33119%0.193SC..Hα-helixtrans-84.9-38.6179.100000113.8P231 L234 D263 V264P231-A267 HydrophobicContact CB-CB 3.98Å; L234-A267 HydrophobicContact CB-CB 4.05Å; L234-A267 HydrophobicContact CD1-CB 3.44Å; L234-A267 VanDerWaalsContact CD1-CB 3.44Å; L234-A267 HydrophobicContact CG-CB 4.4Å; D263-A267 PolarHBondContact O-N 3.4Å; V264-A267 PolarHBondContact O-N 3.43Å
268S77.5Confident83.7Confident17 Ų1733 Ų3312%0.11921%0.21CC..  trans-140.361.4-173.865.60000113.3V264 S270 S271V264-S268 CarbonylContact O-C 3.54Å; V264-S268 PolarHBondContact O-N 2.79Å; V264-S268 PolarHBondContact O-OG 3.35Å; V264-S268 VanDerWaalsContact O-OG 3.14Å; S268-S270 PolarHBondContact O-N 3.18Å; S268-S271 PolarHBondContact O-N 3.43Å; S268-S271 VanDerWaalsContact O-N 3.1Å; S268-S271 PolarHBondContact O-OG 3.15Å; S268-S271 PolarHBondContact OG-OG 3.06Å
269P82.6Confident83.7Confident20 Ų2033 Ų3313%0.1321%0.21CC..G310 helixtrans-59.3-27.5-171.21.1-1.9000114S265 S271 L272 A299 I300 L303S265-P269 VanDerWaalsContact O-CA 3.31Å; S265-P269 WeakPolarHBondContact O-CA 3.27Å; S265-P269 WeakPolarHBondContact O-CB 3.45Å; S265-P269 WeakPolarHBondContact O-CD 3.44Å; S265-P269 WeakPolarHBondContact O-CG 3.35Å; P269-S271 PolarHBondContact O-N 3.16Å; P269-L272 PolarHBondContact O-N 3.17Å; P269-A299 WeakPolarHBondContact CB-O 3.49Å; P269-I300 HydrophobicContact CB-CG1 4.02Å; P269-L303 HydrophobicContact CB-CD1 4.16Å; P269-L303 HydrophobicContact CB-CD2 4.09Å; P269-L303 HydrophobicContact CB-CG 4.1Å; P269-L303 HydrophobicContact CG-CD2 3.9Å; P269-L303 HydrophobicContact CG-CG 4.37Å
270S83.6Confident83.8Confident89 Ų8935.5 Ų35.562%0.62222%0.216SC*.G310 helixtrans-59.5-27.7178.350.50000114.4S268 L272S268-S270 PolarHBondContact O-N 3.18Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-L272 PolarHBondContact O-N 2.98Å
271S82.4Confident83.9Confident22 Ų2240.3 Ų40.315%0.15424%0.239CC..G310 helixtrans-74.2-14.4-179.665.60000114.1S268 P269S268-S271 PolarHBondContact O-N 3.43Å; S268-S271 VanDerWaalsContact O-N 3.1Å; S268-S271 PolarHBondContact O-OG 3.15Å; S268-S271 PolarHBondContact OG-OG 3.06Å; P269-S271 PolarHBondContact O-N 3.16Å
272L84.3Confident83.9Confident0 Ų040.8 Ų40.80%024%0.242CC..THydrogen-bonded Turntrans-107.4-7.6-174.7-73165.1000114.3V241 L261 V264 S265 P269 S270 S274 F275 L276 I296 I300V241-L272 HydrophobicContact CG1-CD2 3.45Å; V241-L272 VanDerWaalsContact CG1-CD2 3.45Å; V241-L272 HydrophobicContact CG1-CG 4.17Å; L261-L272 HydrophobicContact CD2-CD2 3.9Å; L261-L272 WeakPolarHBondContact O-CD1 3.33Å; V264-L272 HydrophobicContact CB-CD1 4.43Å; V264-L272 HydrophobicContact CG1-CD1 4.03Å; S265-L272 VanDerWaalsContact CB-CD1 3.49Å; P269-L272 PolarHBondContact O-N 3.17Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-L272 PolarHBondContact O-N 2.98Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S274 PolarHBondContact O-N 2.89Å; L272-F275 PolarHBondContact O-N 3.01Å; L272-L276 PolarHBondContact O-N 3.26Å; L272-I296 HydrophobicContact CD1-CG2 4.35Å; L272-I300 HydrophobicContact CB-CD1 3.72Å
273V85.4Confident83.6Confident45 Ų4540.4 Ų40.427%0.27324%0.24SC..G310 helixtrans-53.8-44.6-177.9176.50000112.1F275 I300 L303V273-F275 VanDerWaalsContact C-N 3.25Å; V273-F275 PolarHBondContact O-N 3.29Å; V273-I300 HydrophobicContact CG2-CG2 3.84Å; V273-L303 HydrophobicContact CG2-CD1 3.88Å
274S86.3Confident83.7Confident86 Ų8644.5 Ų44.560%0.60126%0.258SS*.G310 helixtrans-68.7-19.1179.147.80000114.3L272L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S274 PolarHBondContact O-N 2.89Å
275F85.8Confident83.8Confident47 Ų4751.5 Ų51.521%0.20629%0.29CS..G310 helixtrans-102.3-3.7-174.4-58.3-66.5000113.5V241 P242 V245 L272 V273 P277 A278 L279V241-F275 HydrophobicContact CG1-CD2 3.89Å; V241-F275 HydrophobicContact CG1-CE2 3.97Å; P242-F275 HydrophobicContact CB-CE1 4.44Å; P242-F275 HydrophobicContact CB-CZ 3.83Å; P242-F275 HydrophobicContact CG-CE2 4.25Å; P242-F275 HydrophobicContact CG-CZ 3.83Å; V245-F275 HydrophobicContact CB-CD1 4.25Å; V245-F275 HydrophobicContact CB-CG 4.4Å; V245-F275 HydrophobicContact CG1-CB 4.22Å; V245-F275 HydrophobicContact CG1-CD1 3.75Å; V245-F275 HydrophobicContact CG1-CE1 4.47Å; V245-F275 HydrophobicContact CG1-CG 4.13Å; V245-F275 HydrophobicContact CG2-CB 4.03Å; V245-F275 HydrophobicContact CG2-CD1 4.29Å; V245-F275 HydrophobicContact CG2-CD2 4.32Å; V245-F275 HydrophobicContact CG2-CG 3.94Å; L272-F275 PolarHBondContact O-N 3.01Å; V273-F275 VanDerWaalsContact C-N 3.25Å; V273-F275 PolarHBondContact O-N 3.29Å; F275-P277 VanDerWaalsContact C-CD 3.42Å; F275-P277 VanDerWaalsContact C-N 3.33Å; F275-A278 PolarHBondContact O-N 2.82Å; F275-L279 PolarHBondContact O-N 3.41Å
276L86.1Confident83.4Confident16 Ų1653.4 Ų53.48%0.08430%0.304CS..Hα-helixtrans-48.6-41.8173.6-78.5177.9000114.6L272 A278 L279 R280 I296 H297 I300L272-L276 PolarHBondContact O-N 3.26Å; L276-A278 PolarHBondContact O-N 2.82Å; L276-L279 HydrophobicContact CD2-CD1 4.48Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-R280 VanDerWaalsContact O-CG 3.25Å; L276-R280 WeakPolarHBondContact O-CG 3.34Å; L276-R280 PolarHBondContact O-N 3.18Å; L276-I296 HydrophobicContact CD2-CG2 4.39Å; L276-H297 VanDerWaalsContact CD2-CE1 3.4Å; L276-H297 WeakPolarHBondContact CD2-CE1 3.33Å; L276-I300 HydrophobicContact CD1-CD1 4.08Å; L276-I300 HydrophobicContact CD1-CG2 4.01Å; L276-I300 HydrophobicContact CD2-CD1 3.6Å; L276-I300 HydrophobicContact CG-CD1 3.81Å
277P87.9Confident83.3Confident87 Ų8752 Ų5257%0.56531%0.31SS*.Hα-helixtrans-61.5-40.4177-24.135.6000113.2F275 R280 M281F275-P277 VanDerWaalsContact C-CD 3.42Å; F275-P277 VanDerWaalsContact C-N 3.33Å; P277-R280 PolarHBondContact O-N 3.02Å; P277-M281 WeakPolarHBondContact O-CG 3.11Å; P277-M281 PolarHBondContact O-N 3.46Å
278A84.4Confident83.3Confident43 Ų4353 Ų5336%0.35532%0.318SS..Hα-helixtrans-68.7-44.117800000111.5F275 L276 R280 M281 V282F275-A278 PolarHBondContact O-N 2.82Å; L276-A278 PolarHBondContact O-N 2.82Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 2.86Å; A278-M281 WeakPolarHBondContact O-CB 3.08Å; A278-M281 PolarHBondContact O-N 3.24Å; A278-M281 VanDerWaalsContact O-N 3.1Å; A278-V282 PolarHBondContact O-N 3.13Å; A278-V282 VanDerWaalsContact O-N 3.1Å
279L85.7Confident83.6Confident0 Ų053.8 Ų53.80%032%0.32CS..Hα-helixtrans-59.4-38.4176-69.3167.2000112.2L248 L258 L261 F275 L276 M281 V282 G283 V293 I296L248-L279 HydrophobicContact CD1-CD2 3.73Å; L258-L279 HydrophobicContact CD2-CD2 3.79Å; L261-L279 HydrophobicContact CD1-CD2 4.41Å; F275-L279 PolarHBondContact O-N 3.41Å; L276-L279 HydrophobicContact CD2-CD1 4.48Å; L276-L279 PolarHBondContact O-N 2.96Å; L279-M281 PolarHBondContact O-N 3.38Å; L279-V282 PolarHBondContact O-N 3.14Å; L279-G283 PolarHBondContact O-N 2.65Å; L279-V293 HydrophobicContact CB-CG1 4.37Å; L279-V293 VanDerWaalsContact O-CG2 3.32Å; L279-V293 WeakPolarHBondContact O-CG2 3.47Å; L279-I296 HydrophobicContact CD1-CD1 4.15Å; L279-I296 HydrophobicContact CD1-CG2 3.89Å; L279-I296 HydrophobicContact CD2-CD1 4.18Å
280R87.9Confident83.8Confident64 Ų6453.5 Ų53.524%0.24232%0.317CS..Hα-helixtrans-62.1-39.7174.4-72.7172.1174.5-176.1-4.8112.5L276 P277 A278 G283 Q284 H297 S310 Y314L276-R280 VanDerWaalsContact O-CG 3.25Å; L276-R280 WeakPolarHBondContact O-CG 3.34Å; L276-R280 PolarHBondContact O-N 3.18Å; P277-R280 PolarHBondContact O-N 3.02Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 2.86Å; R280-G283 PolarHBondContact O-N 2.98Å; R280-Q284 WeakPolarHBondContact O-CG 3.34Å; R280-Q284 PolarHBondContact O-N 2.77Å; R280-Q284 VanDerWaalsContact O-N 3.07Å; R280-H297 PolarHBondContact NE-NE2 3.38Å; R280-H297 PolarHBondContact NH2-CE1 2.99Å; R280-H297 PolarHBondContact NH2-NE2 3.03Å; R280-S310 PolarHBondContact NH2-O 3.38Å; R280-S310 VanDerWaalsContact NH2-O 3.1Å; R280-Y314 HydrophobicContact CB-CE2 4.16Å; R280-Y314 HydrophobicContact CG-CD2 4.03Å; R280-Y314 HydrophobicContact CG-CE1 4.23Å; R280-Y314 HydrophobicContact CG-CE2 3.68Å; R280-Y314 HydrophobicContact CG-CG 4.45Å
281M84.1Confident83.8Confident103 Ų10350.8 Ų50.851%0.50730%0.298SS..Hα-helixtrans-65.4-43.9175.7-64.2-55.2-5600111.8P277 A278 L279 G283 Q284 Q285P277-M281 WeakPolarHBondContact O-CG 3.11Å; P277-M281 PolarHBondContact O-N 3.46Å; A278-M281 WeakPolarHBondContact O-CB 3.08Å; A278-M281 PolarHBondContact O-N 3.24Å; A278-M281 VanDerWaalsContact O-N 3.1Å; L279-M281 PolarHBondContact O-N 3.38Å; M281-G283 VanDerWaalsContact C-N 3.32Å; M281-G283 PolarHBondContact O-N 2.78Å; M281-Q284 WeakPolarHBondContact O-CB 3.43Å; M281-Q284 PolarHBondContact O-N 2.7Å; M281-Q284 VanDerWaalsContact O-N 3.13Å; M281-Q285 WeakPolarHBondContact O-CG 3.4Å; M281-Q285 PolarHBondContact O-N 3.11Å; M281-Q285 VanDerWaalsContact O-N 3.14Å
282V83.9Confident84Confident12 Ų1251.6 Ų51.67%0.07330%0.299CS..Hα-helixtrans-61.7-40.9176.7176.60000111.2L248 T254 L258 A278 L279 Q284 Q285 F289L248-V282 HydrophobicContact CB-CG2 4.05Å; L248-V282 HydrophobicContact CD1-CG2 4.48Å; T254-V282 HydrophobicContact CG2-CG1 3.62Å; L258-V282 HydrophobicContact CD1-CG1 4.05Å; A278-V282 PolarHBondContact O-N 3.13Å; A278-V282 VanDerWaalsContact O-N 3.1Å; L279-V282 PolarHBondContact O-N 3.14Å; V282-Q284 VanDerWaalsContact C-N 3.34Å; V282-Q284 PolarHBondContact O-N 3.19Å; V282-Q285 PolarHBondContact O-N 3.25Å; V282-F289 HydrophobicContact CG1-CD2 3.89Å
283G81.2Confident84.2Confident1 Ų151.6 Ų51.61%0.0130%0.299CS..Hα-helixtrans-61.6-38.6173.200000113.4L279 R280 M281 Q285 L290L279-G283 PolarHBondContact O-N 2.65Å; R280-G283 PolarHBondContact O-N 2.98Å; M281-G283 VanDerWaalsContact C-N 3.32Å; M281-G283 PolarHBondContact O-N 2.78Å; G283-Q285 VanDerWaalsContact C-N 3.28Å; G283-Q285 PolarHBondContact O-N 2.68Å; G283-L290 VanDerWaalsContact C-CD2 3.48Å; G283-L290 WeakPolarHBondContact O-CD2 3.45Å
284Q82.6Confident84.3Confident137 Ų13749.5 Ų49.564%0.6429%0.286SS*.Hα-helixtrans-68.8-23.9176.5-74.3173.6-12.700113.6R280 M281 V282R280-Q284 WeakPolarHBondContact O-CG 3.34Å; R280-Q284 PolarHBondContact O-N 2.77Å; R280-Q284 VanDerWaalsContact O-N 3.07Å; M281-Q284 WeakPolarHBondContact O-CB 3.43Å; M281-Q284 PolarHBondContact O-N 2.7Å; M281-Q284 VanDerWaalsContact O-N 3.13Å; V282-Q284 VanDerWaalsContact C-N 3.34Å; V282-Q284 PolarHBondContact O-N 3.19Å
285Q81.7Confident84.4Confident147 Ų14749.2 Ų49.269%0.68727%0.274SS*.Hα-helixtrans-78.4-26.3179.2-71.3166.3-12.600113.4M281 V282 G283M281-Q285 WeakPolarHBondContact O-CG 3.4Å; M281-Q285 PolarHBondContact O-N 3.11Å; M281-Q285 VanDerWaalsContact O-N 3.14Å; V282-Q285 PolarHBondContact O-N 3.25Å; G283-Q285 VanDerWaalsContact C-N 3.28Å; G283-Q285 PolarHBondContact O-N 2.68Å
286S77.8Confident84.6Confident41 Ų4147 Ų4729%0.28727%0.265SS..  trans-151.4125.7179.11770000112.8A288 F289S286-A288 PolarHBondContact O-N 3.39Å; S286-A288 VanDerWaalsContact O-N 3.15Å; S286-F289 PolarHBondContact O-N 3.19Å
287A79.1Confident84.7Confident76 Ų7646.3 Ų46.363%0.62826%0.261SS*.THydrogen-bonded Turntrans-59.3-27.2179.800000113.7F289 L290A287-F289 VanDerWaalsContact C-N 3.31Å; A287-F289 PolarHBondContact O-N 2.64Å; A287-L290 HydrophobicContact CB-CD1 4.34Å; A287-L290 WeakPolarHBondContact O-CB 3.22Å
288A79.1Confident84.7Confident61 Ų6142.2 Ų42.250%0.50424%0.235SC..THydrogen-bonded Turntrans-62.6-37.6175.800000112.3S286 S291S286-A288 PolarHBondContact O-N 3.39Å; S286-A288 VanDerWaalsContact O-N 3.15Å; A288-S291 PolarHBondContact O-OG 3.1Å
289F84.5Confident84.8Confident33 Ų3340.3 Ų40.315%0.14522%0.219CC..THydrogen-bonded Turntrans-79.4-20.3-173.9-60.5-22.1000113.7T254 E255 L258 V282 S286 A287 S291 H292 V293T254-F289 HydrophobicContact CG2-CD2 3.89Å; T254-F289 HydrophobicContact CG2-CE2 3.56Å; T254-F289 HydrophobicContact CG2-CZ 3.94Å; E255-F289 HydrophobicContact CB-CE1 3.95Å; E255-F289 HydrophobicContact CG-CE1 4.41Å; L258-F289 HydrophobicContact CD1-CB 3.54Å; L258-F289 HydrophobicContact CD1-CD1 3.83Å; L258-F289 HydrophobicContact CD1-CD2 4.14Å; L258-F289 HydrophobicContact CD1-CG 3.57Å; V282-F289 HydrophobicContact CG1-CD2 3.89Å; S286-F289 PolarHBondContact O-N 3.19Å; A287-F289 VanDerWaalsContact C-N 3.31Å; A287-F289 PolarHBondContact O-N 2.64Å; F289-S291 PolarHBondContact O-N 3.44Å; F289-H292 PolarHBondContact O-N 2.9Å; F289-V293 PolarHBondContact O-N 2.97Å; F289-V293 VanDerWaalsContact O-N 3.15Å
290L85.2Confident84.9Confident14 Ų1440.3 Ų40.37%0.07322%0.219CC..Hα-helixtrans-51.3-33174.5-64.9175.8000112.7G283 A287 H292 A294 L318 T322 F326G283-L290 VanDerWaalsContact C-CD2 3.48Å; G283-L290 WeakPolarHBondContact O-CD2 3.45Å; A287-L290 HydrophobicContact CB-CD1 4.34Å; A287-L290 WeakPolarHBondContact O-CB 3.22Å; L290-H292 PolarHBondContact O-N 3.23Å; L290-A294 VanDerWaalsContact O-CB 3.23Å; L290-A294 WeakPolarHBondContact O-CB 3.28Å; L290-A294 PolarHBondContact O-N 2.99Å; L290-L318 HydrophobicContact CB-CD2 4.37Å; L290-L318 HydrophobicContact CD1-CD1 4.07Å; L290-L318 HydrophobicContact CD2-CD1 3.92Å; L290-L318 HydrophobicContact CD2-CD2 3.87Å; L290-L318 HydrophobicContact CG-CD2 4.5Å; L290-T322 HydrophobicContact CD1-CG2 3.78Å; L290-F326 VanDerWaalsContact C-CZ 3.48Å; L290-F326 HydrophobicContact CB-CD1 4.21Å; L290-F326 HydrophobicContact CB-CE1 3.68Å; L290-F326 HydrophobicContact CB-CZ 4.01Å; L290-F326 WeakPolarHBondContact O-CZ 3.47Å
291S84.9Confident84.8Confident32 Ų3237.2 Ų37.222%0.22421%0.207CC..Hα-helixtrans-62.3-36.4177.662.70000114.7A288 F289 K295A288-S291 PolarHBondContact O-OG 3.1Å; F289-S291 PolarHBondContact O-N 3.44Å; S291-K295 WeakPolarHBondContact O-CG 3.39Å
292H86.9Confident84.9Confident38 Ų3835 Ų3518%0.17620%0.197CC..Hα-helixtrans-82.5-43.4178.4-6581.8000110.3L258 V262 F289 L290 A294 K295 I296L258-H292 HydrophobicContact CB-CB 3.81Å; L258-H292 HydrophobicContact CD1-CB 4.44Å; L258-H292 HydrophobicContact CD2-CB 4.48Å; L258-H292 HydrophobicContact CG-CB 4.49Å; V262-H292 HydrophobicContact CG2-CB 3.76Å; V262-H292 WeakPolarHBondContact CG2-O 3.35Å; F289-H292 PolarHBondContact O-N 2.9Å; L290-H292 PolarHBondContact O-N 3.23Å; H292-A294 VanDerWaalsContact C-N 3.29Å; H292-A294 PolarHBondContact O-N 3.06Å; H292-K295 PolarHBondContact O-N 3.34Å; H292-I296 WeakPolarHBondContact O-CG1 3.05Å; H292-I296 PolarHBondContact O-N 3.28Å
293V88.1Confident85Confident1 Ų137.9 Ų37.91%0.00621%0.212CC..Hα-helixtrans-60.7-37.2177.1179.70000111.7L258 L279 F289 H297 Y314L258-V293 HydrophobicContact CD2-CG2 4.42Å; L279-V293 HydrophobicContact CB-CG1 4.37Å; L279-V293 VanDerWaalsContact O-CG2 3.32Å; L279-V293 WeakPolarHBondContact O-CG2 3.47Å; F289-V293 PolarHBondContact O-N 2.97Å; F289-V293 VanDerWaalsContact O-N 3.15Å; V293-H297 PolarHBondContact O-N 3.47Å; V293-Y314 HydrophobicContact CG1-CE1 4.03Å
294A87.7Confident85.2Confident0 Ų039.4 Ų39.40%022%0.222CC..Hα-helixtrans-64.9-44.5175.700000113L290 H292 H297 G298 L315 F326 L330L290-A294 VanDerWaalsContact O-CB 3.23Å; L290-A294 WeakPolarHBondContact O-CB 3.28Å; L290-A294 PolarHBondContact O-N 2.99Å; H292-A294 VanDerWaalsContact C-N 3.29Å; H292-A294 PolarHBondContact O-N 3.06Å; A294-H297 WeakPolarHBondContact O-CB 3.32Å; A294-H297 PolarHBondContact O-N 2.95Å; A294-G298 PolarHBondContact O-N 2.85Å; A294-L315 HydrophobicContact CB-CD2 3.67Å; A294-F326 HydrophobicContact CB-CZ 3.86Å; A294-L330 HydrophobicContact CB-CD2 3.97Å
295K88.8Confident85.3Confident81 Ų8136.6 Ų36.635%0.35221%0.209SC..Hα-helixtrans-62.3-41.7176.2-72176.2178.9-178.60112.2V262 S291 H292 H297 G298 A299V262-K295 HydrophobicContact CG1-CB 3.99Å; V262-K295 HydrophobicContact CG1-CD 3.87Å; V262-K295 HydrophobicContact CG2-CB 4.05Å; V262-K295 HydrophobicContact CG2-CD 4.36Å; S291-K295 WeakPolarHBondContact O-CG 3.39Å; H292-K295 PolarHBondContact O-N 3.34Å; K295-H297 VanDerWaalsContact C-N 3.29Å; K295-H297 PolarHBondContact O-N 3.38Å; K295-G298 PolarHBondContact O-N 2.92Å; K295-A299 PolarHBondContact O-N 3.23Å
296I89.3Confident85.4Confident1 Ų135.8 Ų35.81%0.00521%0.207CC..Hα-helixtrans-62-39.8174.9-64.3164000110.5L261 V262 L272 L276 L279 H292 A299 I300L261-I296 HydrophobicContact CB-CD1 4.05Å; V262-I296 HydrophobicContact CB-CG1 4.47Å; V262-I296 HydrophobicContact CG2-CD1 4.16Å; V262-I296 HydrophobicContact CG2-CG1 3.86Å; L272-I296 HydrophobicContact CD1-CG2 4.35Å; L276-I296 HydrophobicContact CD2-CG2 4.39Å; L279-I296 HydrophobicContact CD1-CD1 4.15Å; L279-I296 HydrophobicContact CD1-CG2 3.89Å; L279-I296 HydrophobicContact CD2-CD1 4.18Å; H292-I296 WeakPolarHBondContact O-CG1 3.05Å; H292-I296 PolarHBondContact O-N 3.28Å; I296-A299 PolarHBondContact O-N 3.29Å; I296-I300 HydrophobicContact CG2-CD1 3.61Å; I296-I300 HydrophobicContact CG2-CG1 4.38Å; I296-I300 WeakPolarHBondContact O-CB 3.4Å; I296-I300 WeakPolarHBondContact O-CG1 3.5Å; I296-I300 PolarHBondContact O-N 3.19Å
297H88.8Confident85.8Confident0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-65.8-36.2173.4-101.8-56.8000113.7L276 R280 V293 A294 K295 G301 S311 Y314 L315L276-H297 VanDerWaalsContact CD2-CE1 3.4Å; L276-H297 WeakPolarHBondContact CD2-CE1 3.33Å; R280-H297 PolarHBondContact NE-NE2 3.38Å; R280-H297 PolarHBondContact NH2-CE1 2.99Å; R280-H297 PolarHBondContact NH2-NE2 3.03Å; V293-H297 PolarHBondContact O-N 3.47Å; A294-H297 WeakPolarHBondContact O-CB 3.32Å; A294-H297 PolarHBondContact O-N 2.95Å; K295-H297 VanDerWaalsContact C-N 3.29Å; K295-H297 PolarHBondContact O-N 3.38Å; H297-G301 PolarHBondContact O-N 3.16Å; H297-S311 VanDerWaalsContact ND1-CB 3.33Å; H297-S311 WeakPolarHBondContact ND1-CB 3.46Å; H297-S311 PolarHBondContact ND1-OG 3.01Å; H297-S311 WeakPolarHBondContact O-CB 3.45Å; H297-S311 PolarHBondContact O-OG 3.36Å; H297-Y314 AromaticContact CD2-CD1 3.29Å; H297-Y314 WeakPolarHBondContact CD2-CD1 3.4Å; H297-Y314 AromaticContact CD2-CE1 3.65Å; H297-Y314 AromaticContact NE2-CD1 3.57Å; H297-Y314 AromaticContact NE2-CG 3.99Å; H297-L315 HydrophobicContact CB-CD1 4.41Å; H297-L315 HydrophobicContact CB-CD2 4.25Å; H297-L315 HydrophobicContact CB-CG 4.31Å
298G87.5Confident86.1Confident1 Ų133 Ų331%0.0118%0.176CC..Hα-helixtrans-61.2-50.5170.600000112.1A294 K295 I300 G301 I302 E333 L337A294-G298 PolarHBondContact O-N 2.85Å; K295-G298 PolarHBondContact O-N 2.92Å; G298-I300 PolarHBondContact O-N 2.98Å; G298-G301 PolarHBondContact O-N 3.26Å; G298-I302 WeakPolarHBondContact O-CG1 3.39Å; G298-I302 PolarHBondContact O-N 3.44Å; G298-E333 WeakPolarHBondContact CA-OE2 3.34Å; G298-L337 WeakPolarHBondContact O-CD2 3.37Å
299A87.3Confident86.4Confident3 Ų331.9 Ų31.93%0.02516%0.16CC..Hα-helixtrans-62.5-42.6179.700000113.2S265 P269 K295 I296 I302S265-A299 WeakPolarHBondContact O-CB 3.4Å; S265-A299 WeakPolarHBondContact OG-CB 3.18Å; P269-A299 WeakPolarHBondContact CB-O 3.49Å; K295-A299 PolarHBondContact O-N 3.23Å; I296-A299 PolarHBondContact O-N 3.29Å; A299-I302 WeakPolarHBondContact O-CB 3.18Å; A299-I302 PolarHBondContact O-N 3.26Å
300I87.4Confident86.4Confident0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-72.2-36.7177.6-66.9167.8000111.5P269 L272 V273 L276 I296 G298 I302 L303 H307P269-I300 HydrophobicContact CB-CG1 4.02Å; L272-I300 HydrophobicContact CB-CD1 3.72Å; V273-I300 HydrophobicContact CG2-CG2 3.84Å; L276-I300 HydrophobicContact CD1-CD1 4.08Å; L276-I300 HydrophobicContact CD1-CG2 4.01Å; L276-I300 HydrophobicContact CD2-CD1 3.6Å; L276-I300 HydrophobicContact CG-CD1 3.81Å; I296-I300 HydrophobicContact CG2-CD1 3.61Å; I296-I300 HydrophobicContact CG2-CG1 4.38Å; I296-I300 WeakPolarHBondContact O-CB 3.4Å; I296-I300 WeakPolarHBondContact O-CG1 3.5Å; I296-I300 PolarHBondContact O-N 3.19Å; G298-I300 PolarHBondContact O-N 2.98Å; I300-I302 PolarHBondContact O-N 2.95Å; I300-L303 HydrophobicContact CG2-CD1 4.28Å; I300-L303 WeakPolarHBondContact O-CB 3.46Å; I300-L303 WeakPolarHBondContact O-CG 3.27Å; I300-L303 PolarHBondContact O-N 3.46Å; I300-L303 VanDerWaalsContact O-N 3.08Å; I300-H307 HydrophobicContact CG2-CB 4.4Å; I300-H307 WeakPolarHBondContact O-CB 3.38Å
301G85.2Confident86.6Confident0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-61.2-23.3175.900000113.5H297 G298 L303 A308 Y341H297-G301 PolarHBondContact O-N 3.16Å; G298-G301 PolarHBondContact O-N 3.26Å; G301-L303 PolarHBondContact O-N 3.36Å; G301-A308 WeakPolarHBondContact O-CB 3.5Å; G301-A308 PolarHBondContact O-N 2.96Å; G301-Y341 WeakPolarHBondContact O-CE2 3.4Å
302I86.6Confident86.6Confident57 Ų5731 Ų3129%0.29216%0.159SC..THydrogen-bonded Turntrans-68-16.3175.6-75.6167.5000113.4G298 A299 I300 L337 Y341G298-I302 WeakPolarHBondContact O-CG1 3.39Å; G298-I302 PolarHBondContact O-N 3.44Å; A299-I302 WeakPolarHBondContact O-CB 3.18Å; A299-I302 PolarHBondContact O-N 3.26Å; I300-I302 PolarHBondContact O-N 2.95Å; I302-L337 HydrophobicContact CG1-CD2 4.14Å; I302-Y341 PolarHBondContact O-OH 3.07Å; I302-Y341 VanDerWaalsContact O-OH 3.1Å
303L85.9Confident86.6Confident72 Ų7232.6 Ų32.638%0.37717%0.172SC..SBendtrans-70.1-44.8-176.5-66.3177.4000114.3P269 V273 I300 G301P269-L303 HydrophobicContact CB-CD1 4.16Å; P269-L303 HydrophobicContact CB-CD2 4.09Å; P269-L303 HydrophobicContact CB-CG 4.1Å; P269-L303 HydrophobicContact CG-CD2 3.9Å; P269-L303 HydrophobicContact CG-CG 4.37Å; V273-L303 HydrophobicContact CG2-CD1 3.88Å; I300-L303 HydrophobicContact CG2-CD1 4.28Å; I300-L303 WeakPolarHBondContact O-CB 3.46Å; I300-L303 WeakPolarHBondContact O-CG 3.27Å; I300-L303 PolarHBondContact O-N 3.46Å; I300-L303 VanDerWaalsContact O-N 3.08Å; G301-L303 PolarHBondContact O-N 3.36Å
304S85.7Confident86.6Confident33 Ų3333.5 Ų33.523%0.23118%0.175CC..  trans-161.3161.5178.377.10000112.2M306 H307 A308 Y341S304-M306 PolarHBondContact O-N 3.22Å; S304-M306 VanDerWaalsContact O-N 3.15Å; S304-H307 PolarHBondContact O-N 3.45Å; S304-H307 PolarHBondContact OG-ND1 3Å; S304-A308 PolarHBondContact O-N 3.44Å; S304-Y341 WeakPolarHBondContact CA-OH 3.34Å; S304-Y341 PolarHBondContact N-OH 3.44Å
305E83.9Confident86.5Confident77 Ų7733.5 Ų33.536%0.3618%0.175SC..Hα-helixtrans-58.7-29.6-177.9-169.3163.7-147.500113.1H309 Y341 S343 L344E305-H309 WeakPolarHBondContact O-CB 3.4Å; E305-H309 PolarHBondContact O-N 3.24Å; E305-Y341 HydrophobicContact CB-CD1 3.95Å; E305-Y341 HydrophobicContact CB-CE1 4.08Å; E305-Y341 HydrophobicContact CG-CD1 4.2Å; E305-S343 WeakPolarHBondContact OE1-CA 3.45Å; E305-S343 WeakPolarHBondContact OE1-CB 3.49Å; E305-S343 PolarHBondContact OE1-OG 3.27Å; E305-L344 HydrophobicContact CG-CD1 4.29Å; E305-L344 HydrophobicContact CG-CD2 3.57Å; E305-L344 HydrophobicContact CG-CG 3.95Å
306M83.6Confident86.4Confident131 Ų13129.7 Ų29.765%0.64516%0.159SC*.Hα-helixtrans-68.8-44.1172.6-61.8-170.5-64.800112.6S304 A308 H309 S310S304-M306 PolarHBondContact O-N 3.22Å; S304-M306 VanDerWaalsContact O-N 3.15Å; M306-A308 VanDerWaalsContact C-N 3.35Å; M306-H309 PolarHBondContact O-N 2.79Å; M306-S310 WeakPolarHBondContact O-CB 3.16Å; M306-S310 PolarHBondContact O-N 2.72Å
307H85.8Confident86.2Confident57 Ų5732.3 Ų32.326%0.26418%0.177SC..Hα-helixtrans-69.3-35.4176.3-6699.3000111.4I300 S304 S311I300-H307 HydrophobicContact CG2-CB 4.4Å; I300-H307 WeakPolarHBondContact O-CB 3.38Å; S304-H307 PolarHBondContact O-N 3.45Å; S304-H307 PolarHBondContact OG-ND1 3Å; H307-S311 WeakPolarHBondContact O-CB 3.38Å; H307-S311 PolarHBondContact O-N 2.86Å; H307-S311 PolarHBondContact O-OG 3.26Å
308A85.9Confident85.9Confident0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-60.7-49.217200000111.2G301 S304 M306 S311 L312 L337 Y341 L344G301-A308 WeakPolarHBondContact O-CB 3.5Å; G301-A308 PolarHBondContact O-N 2.96Å; S304-A308 PolarHBondContact O-N 3.44Å; M306-A308 VanDerWaalsContact C-N 3.35Å; A308-S311 PolarHBondContact O-N 3.16Å; A308-L312 VanDerWaalsContact O-CB 3.28Å; A308-L312 WeakPolarHBondContact O-CB 3.45Å; A308-L312 WeakPolarHBondContact O-CD1 3.34Å; A308-L312 WeakPolarHBondContact O-CG 3.27Å; A308-L312 PolarHBondContact O-N 3.42Å; A308-L337 HydrophobicContact CB-CD2 4.48Å; A308-Y341 HydrophobicContact CB-CD2 3.52Å; A308-Y341 HydrophobicContact CB-CE2 3.8Å; A308-Y341 HydrophobicContact CB-CG 4.25Å; A308-L344 HydrophobicContact CB-CD1 3.61Å
309H84.6Confident85.6Confident38 Ų3833 Ų3318%0.17618%0.18CC..Hα-helixtrans-59.9-51.9177.2-179.2-77.4000111.9E305 M306 S311 L312 V313 L344 L370 T374E305-H309 WeakPolarHBondContact O-CB 3.4Å; E305-H309 PolarHBondContact O-N 3.24Å; M306-H309 PolarHBondContact O-N 2.79Å; H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact O-N 2.88Å; H309-L312 PolarHBondContact O-N 3.08Å; H309-V313 WeakPolarHBondContact O-CG2 3.38Å; H309-V313 PolarHBondContact O-N 2.94Å; H309-L344 HydrophobicContact CB-CD1 4.27Å; H309-L344 HydrophobicContact CB-CD2 4.06Å; H309-L370 PolarHBondContact NE2-O 3.12Å; H309-T374 PolarHBondContact CE1-OG1 2.87Å; H309-T374 PolarHBondContact NE2-OG1 3.06Å; H309-T374 VanDerWaalsContact NE2-OG1 3.07Å
310S85.8Confident85Confident59 Ų5934.4 Ų34.441%0.41319%0.194SC..Hα-helixtrans-61.9-31.5179.5-1760000113.7R280 M306R280-S310 PolarHBondContact NH2-O 3.38Å; R280-S310 VanDerWaalsContact NH2-O 3.1Å; M306-S310 WeakPolarHBondContact O-CB 3.16Å; M306-S310 PolarHBondContact O-N 2.72Å
311S88.1Confident84.3Confident1 Ų138.8 Ų38.81%0.00723%0.225CC..Hα-helixtrans-78.5-40.2174.9-58.20000112H297 H307 A308 H309 Y314 L315H297-S311 VanDerWaalsContact ND1-CB 3.33Å; H297-S311 WeakPolarHBondContact ND1-CB 3.46Å; H297-S311 PolarHBondContact ND1-OG 3.01Å; H297-S311 WeakPolarHBondContact O-CB 3.45Å; H297-S311 PolarHBondContact O-OG 3.36Å; H307-S311 WeakPolarHBondContact O-CB 3.38Å; H307-S311 PolarHBondContact O-N 2.86Å; H307-S311 PolarHBondContact O-OG 3.26Å; A308-S311 PolarHBondContact O-N 3.16Å; H309-S311 VanDerWaalsContact C-N 3.27Å; H309-S311 PolarHBondContact O-N 2.88Å; S311-Y314 PolarHBondContact O-N 3.45Å; S311-L315 VanDerWaalsContact O-CG 3.29Å; S311-L315 WeakPolarHBondContact O-CG 3.4Å; S311-L315 PolarHBondContact O-N 3.07Å
312L86.8Confident83.8Confident2 Ų240.2 Ų40.21%0.0123%0.234CC..Hα-helixtrans-62-42.9175.5-78.1166.2000112.2A308 H309 Y314 L315 V316 I334 L337 T338 L344 L370A308-L312 VanDerWaalsContact O-CB 3.28Å; A308-L312 WeakPolarHBondContact O-CB 3.45Å; A308-L312 WeakPolarHBondContact O-CD1 3.34Å; A308-L312 WeakPolarHBondContact O-CG 3.27Å; A308-L312 PolarHBondContact O-N 3.42Å; H309-L312 PolarHBondContact O-N 3.08Å; L312-Y314 VanDerWaalsContact C-N 3.27Å; L312-Y314 PolarHBondContact O-N 3.48Å; L312-L315 PolarHBondContact O-N 2.73Å; L312-V316 VanDerWaalsContact O-CB 3.25Å; L312-V316 WeakPolarHBondContact O-CB 3.45Å; L312-V316 WeakPolarHBondContact O-CG2 3.39Å; L312-V316 PolarHBondContact O-N 2.88Å; L312-I334 HydrophobicContact CD2-CB 4.15Å; L312-I334 HydrophobicContact CD2-CG1 4.31Å; L312-I334 HydrophobicContact CD2-CG2 3.76Å; L312-L337 HydrophobicContact CD1-CB 4.23Å; L312-L337 HydrophobicContact CD2-CB 4.01Å; L312-L337 HydrophobicContact CD2-CD1 4.15Å; L312-L337 HydrophobicContact CG-CB 4.11Å; L312-L337 HydrophobicContact CG-CD1 3.94Å; L312-T338 HydrophobicContact CD1-CG2 3.69Å; L312-T338 HydrophobicContact CD2-CG2 3.76Å; L312-T338 HydrophobicContact CG-CG2 4.41Å; L312-L344 HydrophobicContact CD1-CB 4.41Å; L312-L344 HydrophobicContact CD1-CD1 3.62Å; L312-L370 HydrophobicContact CB-CD1 4.08Å; L312-L370 HydrophobicContact CB-CD2 4.25Å; L312-L370 HydrophobicContact CD1-CD2 4.48Å
313V86.9Confident83Confident71 Ų7144.8 Ų44.843%0.4325%0.254SS..Hα-helixtrans-55.3-44.5175.6170.10000111H309 S317 L370H309-V313 WeakPolarHBondContact O-CG2 3.38Å; H309-V313 PolarHBondContact O-N 2.94Å; V313-S317 WeakPolarHBondContact O-CB 3.47Å; V313-S317 PolarHBondContact O-N 3.46Å; V313-S317 VanDerWaalsContact O-N 3.12Å; V313-S317 PolarHBondContact O-OG 3.2Å; V313-L370 HydrophobicContact CG2-CB 4.28Å; V313-L370 HydrophobicContact CG2-CD1 4.1Å
314Y86.9Confident82.2Confident20 Ų2048.8 Ų48.88%0.07827%0.27CS..Hα-helixtrans-67.9-52.3176.6177-103.9000112.6R280 V293 H297 S311 L312 V316 S317 L318R280-Y314 HydrophobicContact CB-CE2 4.16Å; R280-Y314 HydrophobicContact CG-CD2 4.03Å; R280-Y314 HydrophobicContact CG-CE1 4.23Å; R280-Y314 HydrophobicContact CG-CE2 3.68Å; R280-Y314 HydrophobicContact CG-CG 4.45Å; V293-Y314 HydrophobicContact CG1-CE1 4.03Å; H297-Y314 AromaticContact CD2-CD1 3.29Å; H297-Y314 WeakPolarHBondContact CD2-CD1 3.4Å; H297-Y314 AromaticContact CD2-CE1 3.65Å; H297-Y314 AromaticContact NE2-CD1 3.57Å; H297-Y314 AromaticContact NE2-CG 3.99Å; S311-Y314 PolarHBondContact O-N 3.45Å; L312-Y314 VanDerWaalsContact C-N 3.27Å; L312-Y314 PolarHBondContact O-N 3.48Å; Y314-V316 VanDerWaalsContact C-N 3.26Å; Y314-V316 PolarHBondContact O-N 3.24Å; Y314-S317 PolarHBondContact O-N 3.01Å; Y314-S317 PolarHBondContact O-OG 3.4Å; Y314-L318 HydrophobicContact CE1-CD2 4.3Å; Y314-L318 PolarHBondContact O-N 3.44Å; Y314-L318 VanDerWaalsContact O-N 3.09Å
315L86.4Confident81.5Confident0 Ų051.9 Ų51.90%029%0.292CS..Hα-helixtrans-58.6-37.3-178.8-69169000112.5A294 H297 S311 L312 L318 L319 L330 E333 I334 L337A294-L315 HydrophobicContact CB-CD2 3.67Å; H297-L315 HydrophobicContact CB-CD1 4.41Å; H297-L315 HydrophobicContact CB-CD2 4.25Å; H297-L315 HydrophobicContact CB-CG 4.31Å; S311-L315 VanDerWaalsContact O-CG 3.29Å; S311-L315 WeakPolarHBondContact O-CG 3.4Å; S311-L315 PolarHBondContact O-N 3.07Å; L312-L315 PolarHBondContact O-N 2.73Å; L315-L318 PolarHBondContact O-N 3.24Å; L315-L319 PolarHBondContact O-N 2.74Å; L315-L330 HydrophobicContact CD2-CD2 3.77Å; L315-E333 HydrophobicContact CD1-CB 4.09Å; L315-I334 HydrophobicContact CB-CD1 4.07Å; L315-I334 HydrophobicContact CB-CG1 3.65Å; L315-I334 HydrophobicContact CD1-CG1 4.24Å; L315-L337 HydrophobicContact CD1-CD1 3.99Å
316V85.7Confident81.1Confident1 Ų149.2 Ų49.21%0.00628%0.28CS..Hα-helixtrans-72.6-41.5177.9174.20000111.6L312 Y314 L318 L319 G320 I334 A363 L366 E367 L370L312-V316 VanDerWaalsContact O-CB 3.25Å; L312-V316 WeakPolarHBondContact O-CB 3.45Å; L312-V316 WeakPolarHBondContact O-CG2 3.39Å; L312-V316 PolarHBondContact O-N 2.88Å; Y314-V316 VanDerWaalsContact C-N 3.26Å; Y314-V316 PolarHBondContact O-N 3.24Å; V316-L318 PolarHBondContact O-N 2.88Å; V316-L319 WeakPolarHBondContact O-CB 3.27Å; V316-L319 PolarHBondContact O-N 3.38Å; V316-L319 VanDerWaalsContact O-N 3.12Å; V316-G320 PolarHBondContact O-N 2.99Å; V316-G320 VanDerWaalsContact O-N 3.1Å; V316-I334 HydrophobicContact CG2-CD1 4Å; V316-I334 HydrophobicContact CG2-CG1 4.39Å; V316-I334 HydrophobicContact CG2-CG2 4.4Å; V316-A363 HydrophobicContact CG1-CB 4.25Å; V316-A363 WeakPolarHBondContact CG1-O 3.3Å; V316-L366 HydrophobicContact CB-CB 4.46Å; V316-L366 HydrophobicContact CG1-CB 3.64Å; V316-L366 HydrophobicContact CG1-CD1 4.48Å; V316-L366 HydrophobicContact CG2-CB 3.89Å; V316-L366 HydrophobicContact CG2-CD1 3.95Å; V316-E367 HydrophobicContact CG1-CG 3.72Å; V316-L370 HydrophobicContact CG2-CD1 4.25Å
317S85.2Confident80.9Confident55 Ų5543.2 Ų43.239%0.38525%0.25SS..Hα-helixtrans-60.3-31.5174.473.10000112.4V313 Y314 G320 S321V313-S317 WeakPolarHBondContact O-CB 3.47Å; V313-S317 PolarHBondContact O-N 3.46Å; V313-S317 VanDerWaalsContact O-N 3.12Å; V313-S317 PolarHBondContact O-OG 3.2Å; Y314-S317 PolarHBondContact O-N 3.01Å; Y314-S317 PolarHBondContact O-OG 3.4Å; S317-G320 PolarHBondContact O-N 3.08Å; S317-S321 PolarHBondContact O-OG 3.02Å
318L82.7Confident80.8Confident17 Ų1746.7 Ų46.79%0.08927%0.266CS..Hα-helixtrans-74.1-39.8176-161.458000111.5L290 Y314 L315 V316 G320 S321 T322 F326 L330L290-L318 HydrophobicContact CB-CD2 4.37Å; L290-L318 HydrophobicContact CD1-CD1 4.07Å; L290-L318 HydrophobicContact CD2-CD1 3.92Å; L290-L318 HydrophobicContact CD2-CD2 3.87Å; L290-L318 HydrophobicContact CG-CD2 4.5Å; Y314-L318 HydrophobicContact CE1-CD2 4.3Å; Y314-L318 PolarHBondContact O-N 3.44Å; Y314-L318 VanDerWaalsContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 3.24Å; V316-L318 PolarHBondContact O-N 2.88Å; L318-G320 PolarHBondContact O-N 3.43Å; L318-G320 VanDerWaalsContact O-N 3.17Å; L318-S321 PolarHBondContact O-N 2.9Å; L318-S321 PolarHBondContact O-OG 3.48Å; L318-T322 HydrophobicContact CD1-CG2 3.51Å; L318-T322 HydrophobicContact CG-CG2 3.7Å; L318-T322 PolarHBondContact O-N 2.84Å; L318-T322 PolarHBondContact O-OG1 3.38Å; L318-F326 HydrophobicContact CD2-CE1 4.01Å; L318-L330 HydrophobicContact CB-CD1 4.27Å; L318-L330 HydrophobicContact CD2-CD2 4.07Å; L318-L330 HydrophobicContact CG-CD1 4.2Å; L318-L330 HydrophobicContact CG-CD2 4.5Å
319L81.4Confident80.7Confident0 Ų048.2 Ų48.20%028%0.276CS..Hα-helixtrans-59.2-24170-164.581.2000112.7L315 V316 H327 L330 L331 I334 F359 I362 A363 L366L315-L319 PolarHBondContact O-N 2.74Å; V316-L319 WeakPolarHBondContact O-CB 3.27Å; V316-L319 PolarHBondContact O-N 3.38Å; V316-L319 VanDerWaalsContact O-N 3.12Å; L319-H327 HydrophobicContact CD1-CB 4.23Å; L319-H327 VanDerWaalsContact CD1-ND1 3.3Å; L319-H327 WeakPolarHBondContact CD1-ND1 3.36Å; L319-H327 PolarHBondContact O-CE1 3.07Å; L319-H327 VanDerWaalsContact O-CE1 3.29Å; L319-L330 HydrophobicContact CB-CD1 4.27Å; L319-L330 HydrophobicContact CD1-CB 3.88Å; L319-L330 HydrophobicContact CD1-CD1 4.14Å; L319-L331 HydrophobicContact CD1-CD2 3.92Å; L319-L331 HydrophobicContact CD1-CG 3.91Å; L319-L331 HydrophobicContact CD2-CD2 3.98Å; L319-I334 HydrophobicContact CB-CD1 4.41Å; L319-I334 HydrophobicContact CD2-CD1 4.24Å; L319-F359 HydrophobicContact CG-CB 4.41Å; L319-I362 HydrophobicContact CD2-CB 4.46Å; L319-I362 HydrophobicContact CD2-CG2 3.92Å; L319-A363 HydrophobicContact CB-CB 4.37Å; L319-A363 HydrophobicContact CD2-CB 4.34Å; L319-L366 HydrophobicContact CD2-CD1 4.49Å
320G75.1Confident80.6Confident31 Ų3146.4 Ų46.432%0.3227%0.267SS..THydrogen-bonded Turntrans-75.9-1717300000115.1V316 S317 L318V316-G320 PolarHBondContact O-N 2.99Å; V316-G320 VanDerWaalsContact O-N 3.1Å; S317-G320 PolarHBondContact O-N 3.08Å; L318-G320 PolarHBondContact O-N 3.43Å; L318-G320 VanDerWaalsContact O-N 3.17Å
321S71.8Confident80.5Confident92 Ų9245.3 Ų45.364%0.64326%0.256SS*.THydrogen-bonded Turntrans-130.9-15.9-163.450.60000116.7S317 L318S317-S321 PolarHBondContact O-OG 3.02Å; L318-S321 PolarHBondContact O-N 2.9Å; L318-S321 PolarHBondContact O-OG 3.48Å
322T74.7Confident80.4Confident30 Ų3050.2 Ų50.218%0.18428%0.279CS..SBendtrans-91.3161.5-175.156.50000115.7L290 L318 F326 H327L290-T322 HydrophobicContact CD1-CG2 3.78Å; L318-T322 HydrophobicContact CD1-CG2 3.51Å; L318-T322 HydrophobicContact CG-CG2 3.7Å; L318-T322 PolarHBondContact O-N 2.84Å; L318-T322 PolarHBondContact O-OG1 3.38Å; T322-F326 HydrophobicContact CG2-CD1 4.15Å; T322-H327 PolarHBondContact O-NE2 3.37Å
323E69.5Low80.4Confident153 Ų15351.5 Ų51.572%0.71529%0.285SS*.  trans-63.3155.2172.4-61.2-174.6171.300113.9S325 F326 H327E323-S325 PolarHBondContact O-N 2.9Å; E323-S325 VanDerWaalsContact O-N 3.12Å; E323-F326 PolarHBondContact O-N 3.46Å; E323-F326 VanDerWaalsContact O-N 3.16Å; E323-H327 PolarHBondContact O-CD2 3.03Å; E323-H327 PolarHBondContact O-NE2 3.29Å
324H69.8Low80.3Confident156 Ų15648.1 Ų48.172%0.72226%0.264SS*.THydrogen-bonded Turntrans-56.5-28.7-174.5-79.3-42000115.7F326 F359H324-F326 PolarHBondContact O-N 3.23Å; H324-F359 AromaticContact CE1-CD2 3.83Å; H324-F359 AromaticContact CE1-CE2 3.96Å; H324-F359 AromaticContact ND1-CD2 3.55Å; H324-F359 AromaticContact ND1-CE2 3.5Å; H324-F359 WeakPolarHBondContact ND1-CE2 3.46Å
325S70.9Confident80.2Confident99 Ų9953.7 Ų53.769%0.69229%0.286SS*.THydrogen-bonded Turntrans-57-33.5177.350.10000113.3E323E323-S325 PolarHBondContact O-N 2.9Å; E323-S325 VanDerWaalsContact O-N 3.12Å
326F76.1Confident80.1Confident21 Ų2155.9 Ų55.99%0.09230%0.303CS..THydrogen-bonded Turntrans-95.8-15.8-168.5-171.9-126.8000115.4L290 A294 L318 T322 E323 H324 H328 T329 L330L290-F326 VanDerWaalsContact C-CZ 3.48Å; L290-F326 HydrophobicContact CB-CD1 4.21Å; L290-F326 HydrophobicContact CB-CE1 3.68Å; L290-F326 HydrophobicContact CB-CZ 4.01Å; L290-F326 WeakPolarHBondContact O-CZ 3.47Å; A294-F326 HydrophobicContact CB-CZ 3.86Å; L318-F326 HydrophobicContact CD2-CE1 4.01Å; T322-F326 HydrophobicContact CG2-CD1 4.15Å; E323-F326 PolarHBondContact O-N 3.46Å; E323-F326 VanDerWaalsContact O-N 3.16Å; H324-F326 PolarHBondContact O-N 3.23Å; F326-H328 PolarHBondContact O-N 3.05Å; F326-H328 VanDerWaalsContact O-N 3.13Å; F326-T329 HydrophobicContact CE2-CG2 4.07Å; F326-T329 PolarHBondContact O-N 3.49Å; F326-L330 HydrophobicContact CD1-CD1 3.72Å; F326-L330 HydrophobicContact CD1-CD2 4.43Å; F326-L330 HydrophobicContact CD1-CG 3.84Å; F326-L330 HydrophobicContact CE1-CD1 3.71Å; F326-L330 HydrophobicContact CE1-CD2 3.6Å; F326-L330 HydrophobicContact CE1-CG 3.46Å; F326-L330 VanDerWaalsContact CE1-CG 3.46Å; F326-L330 HydrophobicContact CZ-CD2 3.92Å; F326-L330 HydrophobicContact CZ-CG 3.91Å; F326-L330 PolarHBondContact O-N 2.69Å
327H79.4Confident80.1Confident5 Ų555.8 Ų55.82%0.02330%0.303CS..Hα-helixtrans-61.6-28.2-173.9-68.2-98.1000113.5L319 T322 E323 T329 L330 L331 F359L319-H327 HydrophobicContact CD1-CB 4.23Å; L319-H327 VanDerWaalsContact CD1-ND1 3.3Å; L319-H327 WeakPolarHBondContact CD1-ND1 3.36Å; L319-H327 PolarHBondContact O-CE1 3.07Å; L319-H327 VanDerWaalsContact O-CE1 3.29Å; T322-H327 PolarHBondContact O-NE2 3.37Å; E323-H327 PolarHBondContact O-CD2 3.03Å; E323-H327 PolarHBondContact O-NE2 3.29Å; H327-T329 PolarHBondContact O-N 2.79Å; H327-L330 PolarHBondContact O-N 2.83Å; H327-L331 HydrophobicContact CB-CD1 4.35Å; H327-L331 VanDerWaalsContact O-CB 3.32Å; H327-L331 WeakPolarHBondContact O-CB 3.43Å; H327-L331 WeakPolarHBondContact O-CD1 3.35Å; H327-L331 WeakPolarHBondContact O-CG 3.12Å; H327-L331 PolarHBondContact O-N 3.06Å; H327-F359 HydrophobicContact CB-CD1 4.14Å; H327-F359 HydrophobicContact CB-CD2 4.1Å; H327-F359 HydrophobicContact CB-CE1 4.13Å; H327-F359 HydrophobicContact CB-CE2 4.08Å; H327-F359 HydrophobicContact CB-CG 4.14Å; H327-F359 HydrophobicContact CB-CZ 4.1Å; H327-F359 AromaticContact CD2-CD2 3.98Å; H327-F359 VanDerWaalsContact CE1-CB 3.5Å; H327-F359 WeakPolarHBondContact CE1-CB 3.32Å; H327-F359 AromaticContact CE1-CD2 3.92Å; H327-F359 AromaticContact CE1-CG 3.87Å; H327-F359 AromaticContact CG-CD2 3.57Å; H327-F359 AromaticContact CG-CE2 3.99Å; H327-F359 AromaticContact CG-CG 3.69Å; H327-F359 WeakPolarHBondContact ND1-CB 3.49Å; H327-F359 AromaticContact ND1-CD1 3.9Å; H327-F359 AromaticContact ND1-CD2 3.54Å; H327-F359 AromaticContact ND1-CG 3.25Å; H327-F359 VanDerWaalsContact ND1-CG 3.25Å; H327-F359 WeakPolarHBondContact ND1-CG 3.33Å
328H82.6Confident79.9Confident129 Ų12953.8 Ų53.860%0.59729%0.288SS*.Hα-helixtrans-61.3-47.6-179.7-168.268.2000112F326 L331 Q332F326-H328 PolarHBondContact O-N 3.05Å; F326-H328 VanDerWaalsContact O-N 3.13Å; H328-L331 PolarHBondContact O-N 2.96Å; H328-Q332 PolarHBondContact CD2-NE2 2.97Å; H328-Q332 VanDerWaalsContact CD2-NE2 3.28Å; H328-Q332 PolarHBondContact NE2-NE2 2.91Å; H328-Q332 WeakPolarHBondContact O-CG 3.44Å; H328-Q332 PolarHBondContact O-N 2.87Å
329T83.7Confident80Confident33 Ų3356.1 Ų56.120%0.20230%0.301CS..Hα-helixtrans-64.5-45.4177.9-48.40000111.1F326 H327 L331 Q332 E333F326-T329 HydrophobicContact CE2-CG2 4.07Å; F326-T329 PolarHBondContact O-N 3.49Å; H327-T329 PolarHBondContact O-N 2.79Å; T329-L331 VanDerWaalsContact C-N 3.34Å; T329-L331 PolarHBondContact O-N 3.41Å; T329-Q332 WeakPolarHBondContact O-CB 3.41Å; T329-Q332 PolarHBondContact O-N 2.89Å; T329-Q332 VanDerWaalsContact O-N 3.16Å; T329-E333 PolarHBondContact O-N 2.79Å; T329-E333 VanDerWaalsContact O-N 3.07Å
330L84.2Confident80Confident0 Ų063.2 Ų63.20%033%0.328CS..Hα-helixtrans-57.8-45.2176.1-71.9177.7000112.3A294 L315 L318 L319 F326 H327 Q332 E333 I334A294-L330 HydrophobicContact CB-CD2 3.97Å; L315-L330 HydrophobicContact CD2-CD2 3.77Å; L318-L330 HydrophobicContact CB-CD1 4.27Å; L318-L330 HydrophobicContact CD2-CD2 4.07Å; L318-L330 HydrophobicContact CG-CD1 4.2Å; L318-L330 HydrophobicContact CG-CD2 4.5Å; L319-L330 HydrophobicContact CB-CD1 4.27Å; L319-L330 HydrophobicContact CD1-CB 3.88Å; L319-L330 HydrophobicContact CD1-CD1 4.14Å; F326-L330 HydrophobicContact CD1-CD1 3.72Å; F326-L330 HydrophobicContact CD1-CD2 4.43Å; F326-L330 HydrophobicContact CD1-CG 3.84Å; F326-L330 HydrophobicContact CE1-CD1 3.71Å; F326-L330 HydrophobicContact CE1-CD2 3.6Å; F326-L330 HydrophobicContact CE1-CG 3.46Å; F326-L330 VanDerWaalsContact CE1-CG 3.46Å; F326-L330 HydrophobicContact CZ-CD2 3.92Å; F326-L330 HydrophobicContact CZ-CG 3.91Å; F326-L330 PolarHBondContact O-N 2.69Å; H327-L330 PolarHBondContact O-N 2.83Å; L330-Q332 VanDerWaalsContact C-N 3.3Å; L330-Q332 PolarHBondContact O-N 2.89Å; L330-E333 PolarHBondContact O-N 2.86Å; L330-I334 HydrophobicContact CB-CD1 4.38Å; L330-I334 WeakPolarHBondContact O-CB 3.49Å; L330-I334 WeakPolarHBondContact O-CD1 3.34Å; L330-I334 WeakPolarHBondContact O-CG1 3.4Å; L330-I334 PolarHBondContact O-N 2.82Å
331L83.5Confident80.4Confident35 Ų3563.8 Ų63.818%0.18332%0.32CS..Hα-helixtrans-68.9-27.6179.3-67.8167.5000112.6L319 H327 H328 T329 R335 Y353 F359L319-L331 HydrophobicContact CD1-CD2 3.92Å; L319-L331 HydrophobicContact CD1-CG 3.91Å; L319-L331 HydrophobicContact CD2-CD2 3.98Å; H327-L331 HydrophobicContact CB-CD1 4.35Å; H327-L331 VanDerWaalsContact O-CB 3.32Å; H327-L331 WeakPolarHBondContact O-CB 3.43Å; H327-L331 WeakPolarHBondContact O-CD1 3.35Å; H327-L331 WeakPolarHBondContact O-CG 3.12Å; H327-L331 PolarHBondContact O-N 3.06Å; H328-L331 PolarHBondContact O-N 2.96Å; T329-L331 VanDerWaalsContact C-N 3.34Å; T329-L331 PolarHBondContact O-N 3.41Å; L331-R335 WeakPolarHBondContact O-CB 3.45Å; L331-R335 PolarHBondContact O-N 2.81Å; L331-R335 VanDerWaalsContact O-N 3.15Å; L331-Y353 HydrophobicContact CD2-CD1 3.83Å; L331-Y353 HydrophobicContact CD2-CE1 3.55Å; L331-F359 HydrophobicContact CD1-CD1 3.89Å; L331-F359 HydrophobicContact CD1-CE1 3.6Å
332Q84.9Confident80.6Confident104 Ų10462.9 Ų62.949%0.48631%0.313SS..Hα-helixtrans-66.2-51169.6-72.5-1796.500111.2H328 T329 L330 R335 A336H328-Q332 PolarHBondContact CD2-NE2 2.97Å; H328-Q332 VanDerWaalsContact CD2-NE2 3.28Å; H328-Q332 PolarHBondContact NE2-NE2 2.91Å; H328-Q332 WeakPolarHBondContact O-CG 3.44Å; H328-Q332 PolarHBondContact O-N 2.87Å; T329-Q332 WeakPolarHBondContact O-CB 3.41Å; T329-Q332 PolarHBondContact O-N 2.89Å; T329-Q332 VanDerWaalsContact O-N 3.16Å; L330-Q332 VanDerWaalsContact C-N 3.3Å; L330-Q332 PolarHBondContact O-N 2.89Å; Q332-R335 PolarHBondContact O-N 3.44Å; Q332-A336 WeakPolarHBondContact O-CB 3.03Å; Q332-A336 PolarHBondContact O-N 3.1Å
333E87.8Confident80.7Confident29 Ų2964.8 Ų64.814%0.13633%0.327CS..Hα-helixtrans-68.3-45.8-177.3-60.5-57.7161.800112.7G298 L315 T329 L330 R335 A336 L337G298-E333 WeakPolarHBondContact CA-OE2 3.34Å; L315-E333 HydrophobicContact CD1-CB 4.09Å; T329-E333 PolarHBondContact O-N 2.79Å; T329-E333 VanDerWaalsContact O-N 3.07Å; L330-E333 PolarHBondContact O-N 2.86Å; E333-R335 PolarHBondContact O-N 2.68Å; E333-A336 PolarHBondContact O-N 3.45Å; E333-A336 VanDerWaalsContact O-N 3.16Å; E333-L337 PolarHBondContact O-N 2.92Å
334I84.4Confident80.9Confident0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-56.8-41.4174.1-65.5165.7000109.3L312 L315 V316 L319 L330 T338 Y353 L366L312-I334 HydrophobicContact CD2-CB 4.15Å; L312-I334 HydrophobicContact CD2-CG1 4.31Å; L312-I334 HydrophobicContact CD2-CG2 3.76Å; L315-I334 HydrophobicContact CB-CD1 4.07Å; L315-I334 HydrophobicContact CB-CG1 3.65Å; L315-I334 HydrophobicContact CD1-CG1 4.24Å; V316-I334 HydrophobicContact CG2-CD1 4Å; V316-I334 HydrophobicContact CG2-CG1 4.39Å; V316-I334 HydrophobicContact CG2-CG2 4.4Å; L319-I334 HydrophobicContact CB-CD1 4.41Å; L319-I334 HydrophobicContact CD2-CD1 4.24Å; L330-I334 HydrophobicContact CB-CD1 4.38Å; L330-I334 WeakPolarHBondContact O-CB 3.49Å; L330-I334 WeakPolarHBondContact O-CD1 3.34Å; L330-I334 WeakPolarHBondContact O-CG1 3.4Å; L330-I334 PolarHBondContact O-N 2.82Å; I334-T338 WeakPolarHBondContact O-CB 3.37Å; I334-T338 VanDerWaalsContact O-CG2 3.25Å; I334-T338 WeakPolarHBondContact O-CG2 3.41Å; I334-T338 PolarHBondContact O-N 2.88Å; I334-T338 VanDerWaalsContact O-N 3.08Å; I334-T338 PolarHBondContact O-OG1 2.78Å; I334-Y353 WeakPolarHBondContact CG2-OH 3.46Å; I334-L366 HydrophobicContact CG2-CD1 4.19Å
335R84.1Confident80.9Confident138 Ų13850.9 Ų50.952%0.52126%0.263SS..Hα-helixtrans-68.1-43.9176.3-178.2174.4174.6-173.4-4.8112.7L331 Q332 E333 L337 T338 D339L331-R335 WeakPolarHBondContact O-CB 3.45Å; L331-R335 PolarHBondContact O-N 2.81Å; L331-R335 VanDerWaalsContact O-N 3.15Å; Q332-R335 PolarHBondContact O-N 3.44Å; E333-R335 PolarHBondContact O-N 2.68Å; R335-L337 VanDerWaalsContact C-N 3.29Å; R335-L337 PolarHBondContact O-N 2.92Å; R335-T338 WeakPolarHBondContact CA-OG1 3.4Å; R335-T338 PolarHBondContact O-N 2.86Å; R335-T338 VanDerWaalsContact O-N 3.14Å; R335-T338 PolarHBondContact O-OG1 3.37Å; R335-D339 WeakPolarHBondContact CG-OD2 3.42Å; R335-D339 IonicContact CZ-OD2 2.65Å; R335-D339 IonicContact NE-OD2 3.07Å; R335-D339 PolarHBondContact NE-OD2 3.31Å; R335-D339 IonicContact NH2-OD2 3.28Å; R335-D339 WeakPolarHBondContact O-CB 3.49Å; R335-D339 PolarHBondContact O-N 3.36Å
336A85.1Confident80.6Confident45 Ų4548.5 Ų48.537%0.37225%0.254SS..Hα-helixtrans-57.8-43.4178.900000111.7Q332 E333 R340Q332-A336 WeakPolarHBondContact O-CB 3.03Å; Q332-A336 PolarHBondContact O-N 3.1Å; E333-A336 PolarHBondContact O-N 3.45Å; E333-A336 VanDerWaalsContact O-N 3.16Å; A336-R340 VanDerWaalsContact O-CB 3.31Å; A336-R340 WeakPolarHBondContact O-CB 3.39Å; A336-R340 PolarHBondContact O-N 2.83Å; A336-R340 VanDerWaalsContact O-N 3.14Å
337L85.3Confident79.7Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-66.9-37.6175.4-67.2-179.4000113.1G298 I302 A308 L312 L315 E333 R335 R340 Y341G298-L337 WeakPolarHBondContact O-CD2 3.37Å; I302-L337 HydrophobicContact CG1-CD2 4.14Å; A308-L337 HydrophobicContact CB-CD2 4.48Å; L312-L337 HydrophobicContact CD1-CB 4.23Å; L312-L337 HydrophobicContact CD2-CB 4.01Å; L312-L337 HydrophobicContact CD2-CD1 4.15Å; L312-L337 HydrophobicContact CG-CB 4.11Å; L312-L337 HydrophobicContact CG-CD1 3.94Å; L315-L337 HydrophobicContact CD1-CD1 3.99Å; E333-L337 PolarHBondContact O-N 2.92Å; R335-L337 VanDerWaalsContact C-N 3.29Å; R335-L337 PolarHBondContact O-N 2.92Å; L337-R340 PolarHBondContact O-N 3.13Å; L337-Y341 PolarHBondContact O-N 3.24Å
338T81.8Confident78.4Confident12 Ų1253.4 Ų53.47%0.07430%0.301CS..Hα-helixtrans-88.3-23.5-175.156.20000115L312 I334 R335 Y341 L345L312-T338 HydrophobicContact CD1-CG2 3.69Å; L312-T338 HydrophobicContact CD2-CG2 3.76Å; L312-T338 HydrophobicContact CG-CG2 4.41Å; I334-T338 WeakPolarHBondContact O-CB 3.37Å; I334-T338 VanDerWaalsContact O-CG2 3.25Å; I334-T338 WeakPolarHBondContact O-CG2 3.41Å; I334-T338 PolarHBondContact O-N 2.88Å; I334-T338 VanDerWaalsContact O-N 3.08Å; I334-T338 PolarHBondContact O-OG1 2.78Å; R335-T338 WeakPolarHBondContact CA-OG1 3.4Å; R335-T338 PolarHBondContact O-N 2.86Å; R335-T338 VanDerWaalsContact O-N 3.14Å; R335-T338 PolarHBondContact O-OG1 3.37Å; T338-Y341 CarbonylContact O-C 3.55Å; T338-L345 HydrophobicContact CG2-CD1 3.59Å; T338-L345 HydrophobicContact CG2-CG 3.88Å
339D83.1Confident77.2Confident67 Ų6748 Ų4836%0.35828%0.279SS..Hα-helixtrans-74.2-29.2163.3-87.4-41.9000110.5R335 K350R335-D339 WeakPolarHBondContact CG-OD2 3.42Å; R335-D339 IonicContact CZ-OD2 2.65Å; R335-D339 IonicContact NE-OD2 3.07Å; R335-D339 PolarHBondContact NE-OD2 3.31Å; R335-D339 IonicContact NH2-OD2 3.28Å; R335-D339 WeakPolarHBondContact O-CB 3.49Å; R335-D339 PolarHBondContact O-N 3.36Å; D339-K350 WeakPolarHBondContact OD1-CE 3.4Å; D339-K350 IonicContact OD1-NZ 3.76Å
340R82.5Confident76.1Confident148 Ų14852.9 Ų52.956%0.55830%0.298SS*.Hα-helixtrans-78.3-37.8173.2-179.4174.8-76-116.81.2113.9A336 L337 P342A336-R340 VanDerWaalsContact O-CB 3.31Å; A336-R340 WeakPolarHBondContact O-CB 3.39Å; A336-R340 PolarHBondContact O-N 2.83Å; A336-R340 VanDerWaalsContact O-N 3.14Å; L337-R340 PolarHBondContact O-N 3.13Å; R340-P342 VanDerWaalsContact C-CD 3.43Å; R340-P342 WeakPolarHBondContact O-CD 3.41Å
341Y83.2Confident74.9Confident43 Ų4356.6 Ų56.617%0.16932%0.318CS..  trans-119.571.8176.8-61.6-77.8000112G301 I302 S304 E305 A308 L337 T338 S343 L344G301-Y341 WeakPolarHBondContact O-CE2 3.4Å; I302-Y341 PolarHBondContact O-OH 3.07Å; I302-Y341 VanDerWaalsContact O-OH 3.1Å; S304-Y341 WeakPolarHBondContact CA-OH 3.34Å; S304-Y341 PolarHBondContact N-OH 3.44Å; E305-Y341 HydrophobicContact CB-CD1 3.95Å; E305-Y341 HydrophobicContact CB-CE1 4.08Å; E305-Y341 HydrophobicContact CG-CD1 4.2Å; A308-Y341 HydrophobicContact CB-CD2 3.52Å; A308-Y341 HydrophobicContact CB-CE2 3.8Å; A308-Y341 HydrophobicContact CB-CG 4.25Å; L337-Y341 PolarHBondContact O-N 3.24Å; T338-Y341 CarbonylContact O-C 3.55Å; Y341-S343 CarbonylContact O-C 3.58Å; Y341-S343 WeakPolarHBondContact O-CA 3.44Å; Y341-S343 PolarHBondContact O-N 3.14Å; Y341-L344 PolarHBondContact O-N 2.89Å
342P75.3Confident73.9Confident74 Ų7455.3 Ų55.348%0.48131%0.311SS..Hα-helixtrans-58-30.8177.7-24.735.2000113.2R340 L344 G346 G347R340-P342 VanDerWaalsContact C-CD 3.43Å; R340-P342 WeakPolarHBondContact O-CD 3.41Å; P342-L344 PolarHBondContact O-N 2.84Å; P342-G346 PolarHBondContact O-N 3.44Å; P342-G346 VanDerWaalsContact O-N 3.12Å; P342-G347 PolarHBondContact O-N 3.26Å
343S76.6Confident73Confident69 Ų6953.3 Ų53.348%0.48330%0.299SS..Hα-helixtrans14.6-91130.285.80000115E305 Y341 L345 G346 K373E305-S343 WeakPolarHBondContact OE1-CA 3.45Å; E305-S343 WeakPolarHBondContact OE1-CB 3.49Å; E305-S343 PolarHBondContact OE1-OG 3.27Å; Y341-S343 CarbonylContact O-C 3.58Å; Y341-S343 WeakPolarHBondContact O-CA 3.44Å; Y341-S343 PolarHBondContact O-N 3.14Å; S343-L345 PolarHBondContact O-N 2.91Å; S343-G346 PolarHBondContact O-N 3.18Å; S343-K373 WeakPolarHBondContact O-CE 3.45Å; S343-K373 PolarHBondContact O-NZ 3.33Å
344L74.8Confident71.7Confident8 Ų861.4 Ų61.44%0.04233%0.329CS..Hα-helixtrans-70.2-38.4-159.1-63.9174.7000113E305 A308 H309 L312 Y341 P342 K373E305-L344 HydrophobicContact CG-CD1 4.29Å; E305-L344 HydrophobicContact CG-CD2 3.57Å; E305-L344 HydrophobicContact CG-CG 3.95Å; A308-L344 HydrophobicContact CB-CD1 3.61Å; H309-L344 HydrophobicContact CB-CD1 4.27Å; H309-L344 HydrophobicContact CB-CD2 4.06Å; L312-L344 HydrophobicContact CD1-CB 4.41Å; L312-L344 HydrophobicContact CD1-CD1 3.62Å; Y341-L344 PolarHBondContact O-N 2.89Å; P342-L344 PolarHBondContact O-N 2.84Å; L344-K373 VanDerWaalsContact C-NZ 3.34Å; L344-K373 WeakPolarHBondContact O-CD 3.39Å; L344-K373 PolarHBondContact O-NZ 3.45Å
345L70Confident70.4Confident10 Ų1068.5 Ų68.55%0.05236%0.363CS..Hα-helixtrans-93-5.2178.8-64.1-176.4000115T338 S343 I352 L366 R369T338-L345 HydrophobicContact CG2-CD1 3.59Å; T338-L345 HydrophobicContact CG2-CG 3.88Å; S343-L345 PolarHBondContact O-N 2.91Å; L345-I352 HydrophobicContact CD1-CD1 4.24Å; L345-L366 HydrophobicContact CD1-CD2 3.58Å; L345-L366 HydrophobicContact CD2-CD2 3.75Å; L345-L366 HydrophobicContact CG-CD2 4.35Å; L345-R369 HydrophobicContact CD2-CB 4.32Å
346G63.5Low69.2Low49 Ų4963.9 Ų63.951%0.50535%0.352SS..THydrogen-bonded Turntrans70.347.3176.300000113.3P342 S343 C348P342-G346 PolarHBondContact O-N 3.44Å; P342-G346 VanDerWaalsContact O-N 3.12Å; S343-G346 PolarHBondContact O-N 3.18Å; G346-C348 VanDerWaalsContact C-N 3.29Å; G346-C348 PolarHBondContact O-N 2.94Å
347G58.2Low68.3Low63 Ų6370 Ų7065%0.64938%0.379SS*.THydrogen-bonded Turntrans82.3-37.9171.100000116.4P342 G349P342-G347 PolarHBondContact O-N 3.26Å; G347-G349 PolarHBondContact O-N 3.47Å; G347-G349 VanDerWaalsContact O-N 3.09Å
348C52.9Low67.9Low66 Ų6672.5 Ų72.545%0.44640%0.396SS..THydrogen-bonded Turntrans-78.411.3-172.8-59.60000115.9G346 K350 D351G346-C348 VanDerWaalsContact C-N 3.29Å; G346-C348 PolarHBondContact O-N 2.94Å; C348-K350 PolarHBondContact O-N 2.87Å; C348-D351 PolarHBondContact O-N 3.19Å
349G56.8Low67.6Low14 Ų1474.7 Ų74.714%0.14441%0.405CS..Hα-helixtrans-58.7-25.3-170.900000115.4G347 Y353G347-G349 PolarHBondContact O-N 3.47Å; G347-G349 VanDerWaalsContact O-N 3.09Å; G349-Y353 WeakPolarHBondContact O-CD2 3.39Å; G349-Y353 VanDerWaalsContact O-CE2 3.29Å; G349-Y353 WeakPolarHBondContact O-CE2 3.43Å
350K59.4Low67.3Low136 Ų13674 Ų7459%0.59140%0.403SS*.Hα-helixtrans-78.9-20.2-177.6-71.1171-178.2166.10114.1D339 C348D339-K350 WeakPolarHBondContact OD1-CE 3.4Å; D339-K350 IonicContact OD1-NZ 3.76Å; C348-K350 PolarHBondContact O-N 2.87Å
351D59.2Low67Low79 Ų7968.4 Ų68.442%0.42239%0.389SS..Hα-helixtrans-98.3-21.8-177.4-61.4-55.1000112.9C348 Y353 R354 M355C348-D351 PolarHBondContact O-N 3.19Å; D351-Y353 VanDerWaalsContact C-N 3.26Å; D351-Y353 PolarHBondContact O-N 2.94Å; D351-R354 WeakPolarHBondContact O-CA 3.15Å; D351-R354 WeakPolarHBondContact O-CB 3.3Å; D351-R354 PolarHBondContact O-N 2.96Å; D351-R354 IonicContact OD1-NH1 3.24Å; D351-M355 VanDerWaalsContact O-CG 3.29Å; D351-M355 WeakPolarHBondContact O-CG 3.48Å; D351-M355 PolarHBondContact O-N 3.36Å; D351-M355 VanDerWaalsContact O-N 3.16Å
352I63.6Low66.8Low7 Ų766.8 Ų66.84%0.03638%0.383CS..Hα-helixtrans-54.8-42.9177.3-63.3173.9000111.1L345 R354 M355 I362 V365 L366L345-I352 HydrophobicContact CD1-CD1 4.24Å; I352-R354 PolarHBondContact O-N 3.46Å; I352-M355 PolarHBondContact O-N 3.24Å; I352-I362 HydrophobicContact CG2-CG2 4.21Å; I352-V365 HydrophobicContact CD1-CG1 4.47Å; I352-V365 HydrophobicContact CG1-CG1 4.42Å; I352-V365 HydrophobicContact CG2-CG1 4.07Å; I352-L366 HydrophobicContact CD1-CD2 3.84Å; I352-L366 HydrophobicContact CG2-CD2 4.18Å; I352-L366 HydrophobicContact CG2-CG 4.29Å
353Y64.6Low67Low63 Ų6363.3 Ų63.325%0.24736%0.361CS..THydrogen-bonded Turntrans-70.7-5.8176.8-51.7-66.1000114.8L331 I334 G349 D351 I362L331-Y353 HydrophobicContact CD2-CD1 3.83Å; L331-Y353 HydrophobicContact CD2-CE1 3.55Å; I334-Y353 WeakPolarHBondContact CG2-OH 3.46Å; G349-Y353 WeakPolarHBondContact O-CD2 3.39Å; G349-Y353 VanDerWaalsContact O-CE2 3.29Å; G349-Y353 WeakPolarHBondContact O-CE2 3.43Å; D351-Y353 VanDerWaalsContact C-N 3.26Å; D351-Y353 PolarHBondContact O-N 2.94Å; Y353-I362 HydrophobicContact CD1-CG2 4.35Å; Y353-I362 HydrophobicContact CE1-CG2 4.44Å
354R62.4Low67.2Low199 Ų19966.1 Ų66.175%0.75136%0.361SS*.THydrogen-bonded Turntrans-106.8-11.4175.7-65.8172162.1176.7-8.6113D351 I352D351-R354 WeakPolarHBondContact O-CA 3.15Å; D351-R354 WeakPolarHBondContact O-CB 3.3Å; D351-R354 PolarHBondContact O-N 2.96Å; D351-R354 IonicContact OD1-NH1 3.24Å; I352-R354 PolarHBondContact O-N 3.46Å
355M55.8Low67.4Low148 Ų14868.4 Ų68.473%0.72938%0.375SS*.SBendtrans-89.7-9.5-172.2-75.1173.673.400114.5D351 I352D351-M355 VanDerWaalsContact O-CG 3.29Å; D351-M355 WeakPolarHBondContact O-CG 3.48Å; D351-M355 PolarHBondContact O-N 3.36Å; D351-M355 VanDerWaalsContact O-N 3.16Å; I352-M355 PolarHBondContact O-N 3.24Å
356S59.6Low67.9Low41 Ų4168 Ų6829%0.28737%0.373SS..  trans-154.3144.6178.5-165.30000113.7S358 A361S356-S358 VanDerWaalsContact C-N 3.29Å; S356-S358 PolarHBondContact OG-N 3.23Å; S356-A361 WeakPolarHBondContact OG-CB 3.47Å
357N66Low68.6Low173 Ų17369 Ų6993%0.92536%0.364SS*.SBendtrans-87.69.5174-62-3.1000112.8
358S75.8Confident69.6Low53 Ų5373.5 Ų73.537%0.37136%0.361SS..  trans-127.5121.3-177.6-174.40000111.8S356 T360 A361 I362S356-S358 VanDerWaalsContact C-N 3.29Å; S356-S358 PolarHBondContact OG-N 3.23Å; S358-T360 VanDerWaalsContact C-N 3.28Å; S358-T360 PolarHBondContact O-N 2.97Å; S358-A361 WeakPolarHBondContact O-CB 3.48Å; S358-A361 PolarHBondContact O-N 3.33Å; S358-I362 PolarHBondContact O-N 3.31Å
359F76.7Confident70.6Confident59 Ų5975.4 Ų75.426%0.25936%0.359SS..Hα-helixtrans-60.9-34.3-179.5-55.1-62.8000113.1L319 H324 H327 L331 A361 I362 A363L319-F359 HydrophobicContact CG-CB 4.41Å; H324-F359 AromaticContact CE1-CD2 3.83Å; H324-F359 AromaticContact CE1-CE2 3.96Å; H324-F359 AromaticContact ND1-CD2 3.55Å; H324-F359 AromaticContact ND1-CE2 3.5Å; H324-F359 WeakPolarHBondContact ND1-CE2 3.46Å; H327-F359 HydrophobicContact CB-CD1 4.14Å; H327-F359 HydrophobicContact CB-CD2 4.1Å; H327-F359 HydrophobicContact CB-CE1 4.13Å; H327-F359 HydrophobicContact CB-CE2 4.08Å; H327-F359 HydrophobicContact CB-CG 4.14Å; H327-F359 HydrophobicContact CB-CZ 4.1Å; H327-F359 AromaticContact CD2-CD2 3.98Å; H327-F359 VanDerWaalsContact CE1-CB 3.5Å; H327-F359 WeakPolarHBondContact CE1-CB 3.32Å; H327-F359 AromaticContact CE1-CD2 3.92Å; H327-F359 AromaticContact CE1-CG 3.87Å; H327-F359 AromaticContact CG-CD2 3.57Å; H327-F359 AromaticContact CG-CE2 3.99Å; H327-F359 AromaticContact CG-CG 3.69Å; H327-F359 WeakPolarHBondContact ND1-CB 3.49Å; H327-F359 AromaticContact ND1-CD1 3.9Å; H327-F359 AromaticContact ND1-CD2 3.54Å; H327-F359 AromaticContact ND1-CG 3.25Å; H327-F359 VanDerWaalsContact ND1-CG 3.25Å; H327-F359 WeakPolarHBondContact ND1-CG 3.33Å; L331-F359 HydrophobicContact CD1-CD1 3.89Å; L331-F359 HydrophobicContact CD1-CE1 3.6Å; F359-A361 VanDerWaalsContact C-N 3.27Å; F359-A361 PolarHBondContact O-N 2.92Å; F359-I362 HydrophobicContact CD1-CD1 4.33Å; F359-I362 WeakPolarHBondContact O-CB 3.39Å; F359-I362 PolarHBondContact O-N 3.16Å; F359-A363 WeakPolarHBondContact O-CB 3.11Å; F359-A363 PolarHBondContact O-N 2.9Å
360T76.3Confident71.7Confident51 Ų5175 Ų7531%0.31335%0.353SS..Hα-helixtrans-70.9-20.8175.175.90000113.2S358 R364S358-T360 VanDerWaalsContact C-N 3.28Å; S358-T360 PolarHBondContact O-N 2.97Å; T360-R364 VanDerWaalsContact C-NH1 3.32Å; T360-R364 VanDerWaalsContact O-CG 3.3Å; T360-R364 WeakPolarHBondContact O-CG 3.46Å; T360-R364 PolarHBondContact O-N 3.38Å; T360-R364 PolarHBondContact O-NH1 3.22Å; T360-R364 PolarHBondContact OG1-NH1 3.21Å
361A77.4Confident72.4Confident32 Ų3274.1 Ų74.126%0.26435%0.352SS..Hα-helixtrans-81.4-36.917100000111.1S356 S358 F359 V365S356-A361 WeakPolarHBondContact OG-CB 3.47Å; S358-A361 WeakPolarHBondContact O-CB 3.48Å; S358-A361 PolarHBondContact O-N 3.33Å; F359-A361 VanDerWaalsContact C-N 3.27Å; F359-A361 PolarHBondContact O-N 2.92Å; A361-V365 WeakPolarHBondContact O-CG2 3.47Å; A361-V365 PolarHBondContact O-N 3Å
362I78.4Confident72.8Confident9 Ų974.9 Ų74.95%0.04636%0.356CS..Hα-helixtrans-60.8-47.5170.8-66.1171.3000110.1L319 I352 Y353 S358 F359 V365 L366L319-I362 HydrophobicContact CD2-CB 4.46Å; L319-I362 HydrophobicContact CD2-CG2 3.92Å; I352-I362 HydrophobicContact CG2-CG2 4.21Å; Y353-I362 HydrophobicContact CD1-CG2 4.35Å; Y353-I362 HydrophobicContact CE1-CG2 4.44Å; S358-I362 PolarHBondContact O-N 3.31Å; F359-I362 HydrophobicContact CD1-CD1 4.33Å; F359-I362 WeakPolarHBondContact O-CB 3.39Å; F359-I362 PolarHBondContact O-N 3.16Å; I362-V365 PolarHBondContact O-N 2.82Å; I362-V365 VanDerWaalsContact O-N 3.16Å; I362-L366 HydrophobicContact CG2-CD1 3.85Å; I362-L366 HydrophobicContact CG2-CG 4.47Å; I362-L366 WeakPolarHBondContact O-CG 3.46Å; I362-L366 PolarHBondContact O-N 3.06Å
363A79.5Confident72.7Confident1 Ų177.4 Ų77.41%0.00837%0.367CS..Hα-helixtrans-54.9-55.1177.500000111.7V316 L319 F359 V365 L366 E367V316-A363 HydrophobicContact CG1-CB 4.25Å; V316-A363 WeakPolarHBondContact CG1-O 3.3Å; L319-A363 HydrophobicContact CB-CB 4.37Å; L319-A363 HydrophobicContact CD2-CB 4.34Å; F359-A363 WeakPolarHBondContact O-CB 3.11Å; F359-A363 PolarHBondContact O-N 2.9Å; A363-V365 PolarHBondContact O-N 2.93Å; A363-V365 VanDerWaalsContact O-N 3.11Å; A363-L366 CarbonylContact O-C 3.59Å; A363-L366 WeakPolarHBondContact O-CA 3.32Å; A363-L366 PolarHBondContact O-N 3.43Å; A363-E367 WeakPolarHBondContact O-CG 3.48Å; A363-E367 PolarHBondContact O-N 3.22Å
364R80.1Confident72.5Confident128 Ų12877.1 Ų77.148%0.48337%0.371SS..Hα-helixtrans-59.8-24.2178.1-68.4177.4-166.8104.4-7.7115.1T360 E367 R368T360-R364 VanDerWaalsContact C-NH1 3.32Å; T360-R364 VanDerWaalsContact O-CG 3.3Å; T360-R364 WeakPolarHBondContact O-CG 3.46Å; T360-R364 PolarHBondContact O-N 3.38Å; T360-R364 PolarHBondContact O-NH1 3.22Å; T360-R364 PolarHBondContact OG1-NH1 3.21Å; R364-E367 VanDerWaalsContact CA-OE2 3.31Å; R364-E367 WeakPolarHBondContact CA-OE2 3.4Å; R364-R368 WeakPolarHBondContact O-CD 3.41Å; R364-R368 WeakPolarHBondContact O-CG 3.49Å
365V79.1Confident72.3Confident56 Ų5671.7 Ų71.734%0.33936%0.36SS..Hα-helixtrans-81.7-31.6174.5169.50000111.4I352 A361 I362 A363 R369I352-V365 HydrophobicContact CD1-CG1 4.47Å; I352-V365 HydrophobicContact CG1-CG1 4.42Å; I352-V365 HydrophobicContact CG2-CG1 4.07Å; A361-V365 WeakPolarHBondContact O-CG2 3.47Å; A361-V365 PolarHBondContact O-N 3Å; I362-V365 PolarHBondContact O-N 2.82Å; I362-V365 VanDerWaalsContact O-N 3.16Å; A363-V365 PolarHBondContact O-N 2.93Å; A363-V365 VanDerWaalsContact O-N 3.11Å; V365-R369 WeakPolarHBondContact O-CG 3.39Å
366L80.2Confident72.3Confident2 Ų269.4 Ų69.41%0.0135%0.35CS..Hα-helixtrans-76.9-43.5174.7-67.8170.4000111.7V316 L319 I334 L345 I352 I362 A363 R368 R369 L370V316-L366 HydrophobicContact CB-CB 4.46Å; V316-L366 HydrophobicContact CG1-CB 3.64Å; V316-L366 HydrophobicContact CG1-CD1 4.48Å; V316-L366 HydrophobicContact CG2-CB 3.89Å; V316-L366 HydrophobicContact CG2-CD1 3.95Å; L319-L366 HydrophobicContact CD2-CD1 4.49Å; I334-L366 HydrophobicContact CG2-CD1 4.19Å; L345-L366 HydrophobicContact CD1-CD2 3.58Å; L345-L366 HydrophobicContact CD2-CD2 3.75Å; L345-L366 HydrophobicContact CG-CD2 4.35Å; I352-L366 HydrophobicContact CD1-CD2 3.84Å; I352-L366 HydrophobicContact CG2-CD2 4.18Å; I352-L366 HydrophobicContact CG2-CG 4.29Å; I362-L366 HydrophobicContact CG2-CD1 3.85Å; I362-L366 HydrophobicContact CG2-CG 4.47Å; I362-L366 WeakPolarHBondContact O-CG 3.46Å; I362-L366 PolarHBondContact O-N 3.06Å; A363-L366 CarbonylContact O-C 3.59Å; A363-L366 WeakPolarHBondContact O-CA 3.32Å; A363-L366 PolarHBondContact O-N 3.43Å; L366-R368 PolarHBondContact O-N 2.85Å; L366-R369 PolarHBondContact O-N 3.1Å; L366-L370 WeakPolarHBondContact O-CG 3.29Å; L366-L370 PolarHBondContact O-N 2.97Å
367E79.6Confident72Confident68 Ų6872.1 Ų72.132%0.31836%0.358SS..Hα-helixtrans-49.9-59.9175.7-72.9165.5171.400111V316 A363 R364 R369 L370 E371V316-E367 HydrophobicContact CG1-CG 3.72Å; A363-E367 WeakPolarHBondContact O-CG 3.48Å; A363-E367 PolarHBondContact O-N 3.22Å; R364-E367 VanDerWaalsContact CA-OE2 3.31Å; R364-E367 WeakPolarHBondContact CA-OE2 3.4Å; E367-R369 VanDerWaalsContact C-N 3.27Å; E367-R369 PolarHBondContact O-N 3.39Å; E367-L370 WeakPolarHBondContact O-CA 3.22Å; E367-L370 WeakPolarHBondContact O-CB 3.4Å; E367-L370 PolarHBondContact O-N 3.17Å; E367-E371 WeakPolarHBondContact O-CG 3.48Å; E367-E371 PolarHBondContact O-N 2.75Å
368R77.3Confident71.2Confident159 Ų15966.7 Ų66.760%0.633%0.333SS*.Hα-helixtrans-55.9-39.1-179.5-68.1172.1-176.1177.1-0.1113.1R364 L366 E371 D372R364-R368 WeakPolarHBondContact O-CD 3.41Å; R364-R368 WeakPolarHBondContact O-CG 3.49Å; L366-R368 PolarHBondContact O-N 2.85Å; R368-E371 PolarHBondContact O-N 3.04Å; R368-D372 WeakPolarHBondContact O-CB 3.48Å; R368-D372 PolarHBondContact O-N 2.98Å
369R75.8Confident69.9Low105 Ų10572.4 Ų72.440%0.39635%0.347SS..Hα-helixtrans-73.2-26.9179.1-71.4-172.9-175.5-69.23.8113.3L345 V365 L366 E367 K373L345-R369 HydrophobicContact CD2-CB 4.32Å; V365-R369 WeakPolarHBondContact O-CG 3.39Å; L366-R369 PolarHBondContact O-N 3.1Å; E367-R369 VanDerWaalsContact C-N 3.27Å; E367-R369 PolarHBondContact O-N 3.39Å; R369-K373 PolarHBondContact O-N 3.12Å
370L78.4Confident68.5Low5 Ų575.1 Ų75.13%0.02636%0.363CS..Hα-helixtrans-74.9-39.1170.9-67.7166.8000110.5H309 L312 V313 V316 L366 E367 K373 T374H309-L370 PolarHBondContact NE2-O 3.12Å; L312-L370 HydrophobicContact CB-CD1 4.08Å; L312-L370 HydrophobicContact CB-CD2 4.25Å; L312-L370 HydrophobicContact CD1-CD2 4.48Å; V313-L370 HydrophobicContact CG2-CB 4.28Å; V313-L370 HydrophobicContact CG2-CD1 4.1Å; V316-L370 HydrophobicContact CG2-CD1 4.25Å; L366-L370 WeakPolarHBondContact O-CG 3.29Å; L366-L370 PolarHBondContact O-N 2.97Å; E367-L370 WeakPolarHBondContact O-CA 3.22Å; E367-L370 WeakPolarHBondContact O-CB 3.4Å; E367-L370 PolarHBondContact O-N 3.17Å; L370-K373 WeakPolarHBondContact O-CB 3.44Å; L370-K373 PolarHBondContact O-N 2.89Å; L370-T374 PolarHBondContact O-N 3.24Å; L370-T374 PolarHBondContact O-OG1 3.2Å
371E74.1Confident66.8Low119 Ų11978 Ų7856%0.55637%0.373SS*.Hα-helixtrans-64.7-46.7174.1-66.8173.4147.500112.8E367 R368 K373 T374 T375E367-E371 WeakPolarHBondContact O-CG 3.48Å; E367-E371 PolarHBondContact O-N 2.75Å; R368-E371 PolarHBondContact O-N 3.04Å; E371-K373 PolarHBondContact O-N 3.3Å; E371-T374 PolarHBondContact O-N 3.1Å; E371-T374 VanDerWaalsContact O-N 3.16Å; E371-T375 PolarHBondContact O-N 3.23Å; E371-T375 PolarHBondContact O-OG1 3.39Å; E371-T375 VanDerWaalsContact O-OG1 3.06Å
372D67.4Low65.3Low94 Ų9481.9 Ų81.950%0.50339%0.389SS..Hα-helixtrans-53.8-34.4172.2-73.5-28.3000111.2R368 T375 L376R368-D372 WeakPolarHBondContact O-CB 3.48Å; R368-D372 PolarHBondContact O-N 2.98Å; D372-T375 PolarHBondContact O-OG1 3.4Å; D372-T375 VanDerWaalsContact O-OG1 3.09Å; D372-L376 WeakPolarHBondContact O-CD1 3.27Å; D372-L376 VanDerWaalsContact O-CG 3.3Å; D372-L376 WeakPolarHBondContact O-CG 3.36Å; D372-L376 PolarHBondContact O-N 2.99Å
373K61.5Low63.5Low61 Ų6187.3 Ų87.327%0.26542%0.416SS..Hα-helixtrans-80.5-40.2176.1-89.5-119.5172.648.70114.1S343 L344 R369 L370 E371 T375 L376 H377S343-K373 WeakPolarHBondContact O-CE 3.45Å; S343-K373 PolarHBondContact O-NZ 3.33Å; L344-K373 VanDerWaalsContact C-NZ 3.34Å; L344-K373 WeakPolarHBondContact O-CD 3.39Å; L344-K373 PolarHBondContact O-NZ 3.45Å; R369-K373 PolarHBondContact O-N 3.12Å; L370-K373 WeakPolarHBondContact O-CB 3.44Å; L370-K373 PolarHBondContact O-N 2.89Å; E371-K373 PolarHBondContact O-N 3.3Å; K373-T375 VanDerWaalsContact C-N 3.28Å; K373-T375 PolarHBondContact O-N 3.27Å; K373-L376 PolarHBondContact O-N 3.45Å; K373-H377 WeakPolarHBondContact O-CB 3.14Å; K373-H377 PolarHBondContact O-N 3.48Å
374T60.7Low61.7Low57 Ų5790.3 Ų90.335%0.3544%0.44SS..Hα-helixtrans-58.2-45.1174.7-49.90000110.1H309 L370 E371 L376 H377 C378H309-T374 PolarHBondContact CE1-OG1 2.87Å; H309-T374 PolarHBondContact NE2-OG1 3.06Å; H309-T374 VanDerWaalsContact NE2-OG1 3.07Å; L370-T374 PolarHBondContact O-N 3.24Å; L370-T374 PolarHBondContact O-OG1 3.2Å; E371-T374 PolarHBondContact O-N 3.1Å; E371-T374 VanDerWaalsContact O-N 3.16Å; T374-L376 PolarHBondContact O-N 3.42Å; T374-H377 PolarHBondContact O-N 2.8Å; T374-C378 PolarHBondContact O-N 3.02Å; T374-C378 PolarHBondContact O-SG 2.65Å; T374-C378 VanDerWaalsContact O-SG 3.36Å
375T58Low59.8Low85 Ų8591.7 Ų91.752%0.52145%0.453SS..Hα-helixtrans-67.7-32.1178.355.50000113.3E371 D372 K373 R379E371-T375 PolarHBondContact O-N 3.23Å; E371-T375 PolarHBondContact O-OG1 3.39Å; E371-T375 VanDerWaalsContact O-OG1 3.06Å; D372-T375 PolarHBondContact O-OG1 3.4Å; D372-T375 VanDerWaalsContact O-OG1 3.09Å; K373-T375 VanDerWaalsContact C-N 3.28Å; K373-T375 PolarHBondContact O-N 3.27Å; T375-R379 WeakPolarHBondContact O-CB 3.16Å; T375-R379 WeakPolarHBondContact O-CD 2.99Å; T375-R379 WeakPolarHBondContact O-CG 3.11Å; T375-R379 PolarHBondContact O-N 2.59Å
376L55.9Low58Low99 Ų9996.2 Ų96.252%0.51847%0.47SS..Hα-helixtrans-71-39.5170-77.2168.5000112.7D372 K373 T374 R379 L380D372-L376 WeakPolarHBondContact O-CD1 3.27Å; D372-L376 VanDerWaalsContact O-CG 3.3Å; D372-L376 WeakPolarHBondContact O-CG 3.36Å; D372-L376 PolarHBondContact O-N 2.99Å; K373-L376 PolarHBondContact O-N 3.45Å; T374-L376 PolarHBondContact O-N 3.42Å; L376-R379 PolarHBondContact O-N 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.41Å; L376-L380 PolarHBondContact O-N 3.28Å
377H53.8Low56Low98 Ų9899.6 Ų99.645%0.45450%0.498SS..Hα-helixtrans-67.9-49.3-179-163.867.8000111.5K373 T374 R379 L380 E381K373-H377 WeakPolarHBondContact O-CB 3.14Å; K373-H377 PolarHBondContact O-N 3.48Å; T374-H377 PolarHBondContact O-N 2.8Å; H377-R379 PolarHBondContact O-N 3.24Å; H377-L380 WeakPolarHBondContact O-CA 3.41Å; H377-L380 WeakPolarHBondContact O-CB 3.31Å; H377-L380 PolarHBondContact O-N 3.35Å; H377-E381 IonicContact CD2-OE2 3.57Å; H377-E381 PolarHBondContact O-N 2.8Å
378C49.3Very low53.8Low59 Ų59106.4 Ų106.440%0.39952%0.521SS..Hα-helixtrans-61.2-31.1175.5-61.50000112.4T374 L382T374-C378 PolarHBondContact O-N 3.02Å; T374-C378 PolarHBondContact O-SG 2.65Å; T374-C378 VanDerWaalsContact O-SG 3.36Å; C378-L382 WeakPolarHBondContact O-CB 3.38Å; C378-L382 WeakPolarHBondContact O-CD1 3.19Å; C378-L382 VanDerWaalsContact O-CG 3.25Å; C378-L382 WeakPolarHBondContact O-CG 3.11Å; C378-L382 PolarHBondContact O-N 3.42Å; C378-L382 VanDerWaalsContact O-N 3.13Å
379R48.2Very low51.9Low173 Ų173104.7 Ų104.765%0.65353%0.531SS*.Hα-helixtrans-70.5-36172.3-74.617675.2171.75.4112.6T375 L376 H377 M383T375-R379 WeakPolarHBondContact O-CB 3.16Å; T375-R379 WeakPolarHBondContact O-CD 2.99Å; T375-R379 WeakPolarHBondContact O-CG 3.11Å; T375-R379 PolarHBondContact O-N 2.59Å; L376-R379 PolarHBondContact O-N 3.44Å; H377-R379 PolarHBondContact O-N 3.24Å; R379-M383 WeakPolarHBondContact O-CB 3.46Å; R379-M383 WeakPolarHBondContact O-CG 3.45Å; R379-M383 PolarHBondContact O-N 3.19Å
380L46.6Very low50.2Low116 Ų116104.8 Ų104.861%0.60755%0.554SS**Hα-helixtrans-71-36.5175.2-75.7166.3000112.4L376 H377 M383 A384L376-L380 WeakPolarHBondContact O-CG 3.41Å; L376-L380 PolarHBondContact O-N 3.28Å; H377-L380 WeakPolarHBondContact O-CA 3.41Å; H377-L380 WeakPolarHBondContact O-CB 3.31Å; H377-L380 PolarHBondContact O-N 3.35Å; L380-M383 PolarHBondContact O-N 3.27Å; L380-A384 WeakPolarHBondContact O-CB 3.37Å; L380-A384 PolarHBondContact O-N 2.94Å
381E41.2Very low48.1Very low111 Ų111113 Ų11352%0.51960%0.597SS.*Hα-helixtrans-63.9-46.6172.6-70.4-177.1116.300111.6H377 M383 A384 E385H377-E381 IonicContact CD2-OE2 3.57Å; H377-E381 PolarHBondContact O-N 2.8Å; E381-M383 VanDerWaalsContact C-N 3.33Å; E381-M383 PolarHBondContact O-N 3.46Å; E381-A384 WeakPolarHBondContact O-CB 3.43Å; E381-A384 PolarHBondContact O-N 2.54Å; E381-E385 PolarHBondContact O-N 3.38Å; E381-E385 VanDerWaalsContact O-N 3.15Å
382L45.3Very low45.9Very low114 Ų114111.4 Ų111.460%0.59761%0.612SS**Hα-helixtrans-57.9-44.8174.4-72.9168.1000111.8C378 A384 E385 E386C378-L382 WeakPolarHBondContact O-CB 3.38Å; C378-L382 WeakPolarHBondContact O-CD1 3.19Å; C378-L382 VanDerWaalsContact O-CG 3.25Å; C378-L382 WeakPolarHBondContact O-CG 3.11Å; C378-L382 PolarHBondContact O-N 3.42Å; C378-L382 VanDerWaalsContact O-N 3.13Å; L382-A384 VanDerWaalsContact C-N 3.27Å; L382-A384 PolarHBondContact O-N 2.89Å; L382-E385 PolarHBondContact O-N 3.36Å; L382-E386 WeakPolarHBondContact O-CG 3.32Å; L382-E386 PolarHBondContact O-N 3.33Å
383M42.3Very low44.1Very low123 Ų123110.3 Ų110.361%0.60662%0.623SS**Hα-helixtrans-71.9-17.9176.8-69.7-162.1142.300114R379 L380 E381 A387R379-M383 WeakPolarHBondContact O-CB 3.46Å; R379-M383 WeakPolarHBondContact O-CG 3.45Å; R379-M383 PolarHBondContact O-N 3.19Å; L380-M383 PolarHBondContact O-N 3.27Å; E381-M383 VanDerWaalsContact C-N 3.33Å; E381-M383 PolarHBondContact O-N 3.46Å; M383-A387 VanDerWaalsContact O-CB 3.31Å; M383-A387 WeakPolarHBondContact O-CB 3.37Å; M383-A387 PolarHBondContact O-N 2.83Å
384A40.1Very low42.5Very low64 Ų64112.8 Ų112.853%0.52965%0.648SS.*Hα-helixtrans-79.4-29.3173.500000112.8L380 E381 L382L380-A384 WeakPolarHBondContact O-CB 3.37Å; L380-A384 PolarHBondContact O-N 2.94Å; E381-A384 WeakPolarHBondContact O-CB 3.43Å; E381-A384 PolarHBondContact O-N 2.54Å; L382-A384 VanDerWaalsContact C-N 3.27Å; L382-A384 PolarHBondContact O-N 2.89Å
385E40.5Very low40.8Very low158 Ų158118 Ų11874%0.73867%0.673SS**Hα-helixtrans-71.9-41167.4-72.3-142.2115.200111.9E381 L382 A387E381-E385 PolarHBondContact O-N 3.38Å; E381-E385 VanDerWaalsContact O-N 3.15Å; L382-E385 PolarHBondContact O-N 3.36Å; E385-A387 PolarHBondContact O-N 3.08Å
386E41.6Very low40.2Very low151 Ų151119.3 Ų119.371%0.70668%0.683SS**Hα-helixtrans-66-17.8178.4-69.4-178.1147.900113.8L382 R388L382-E386 WeakPolarHBondContact O-CG 3.32Å; L382-E386 PolarHBondContact O-N 3.33Å; E386-R388 PolarHBondContact O-N 2.9Å
387A38.1Very low38.9Very low73 Ų73119.6 Ų119.660%0.60370%0.7SS**THydrogen-bonded Turntrans-88.914.4-173.300000116M383 E385 P389M383-A387 VanDerWaalsContact O-CB 3.31Å; M383-A387 WeakPolarHBondContact O-CB 3.37Å; M383-A387 PolarHBondContact O-N 2.83Å; E385-A387 PolarHBondContact O-N 3.08Å; A387-P389 WeakPolarHBondContact O-CD 3.49Å
388R34.7Very low37.5Very low211 Ų211118.2 Ų118.280%0.79671%0.711SS**  trans-95.7114.1177.9-70.8-175.2175.4178.71.1112.3E386E386-R388 PolarHBondContact O-N 2.9Å
389P36.9Very low36.6Very low123 Ų123127.9 Ų127.980%0.79974%0.74SS**  trans-69.1134.2178.4-17.831.7000112.4A387 L391A387-P389 WeakPolarHBondContact O-CD 3.49Å; P389-L391 PolarHBondContact O-N 3.29Å
390A39.7Very low35.5Very low107 Ų107123.1 Ų123.188%0.88475%0.745SS**  trans-79.3112.7173.900000111.6
391L33.7Very low34.6Very low178 Ų178130.1 Ų130.193%0.93276%0.763SS**  trans-117116.8157.6-89.1163.2000106.9P389P389-L391 PolarHBondContact O-N 3.29Å
392G29.4Very low33.9Very low85 Ų85127.5 Ų127.588%0.87677%0.766SS**  trans-121.6175.3-167.800000114.3
393G28.2Very low33Very low71 Ų71128.5 Ų128.573%0.73278%0.777SS**  trans137.1107160.800000116.4
394S27.3Very low32.2Very low113 Ų113127 Ų12779%0.7978%0.779SS**  trans71.690.2141.2-52.40000120.9
395L26.6Very low31.6Very low165 Ų165130.9 Ų130.986%0.86479%0.786SS**  46.8157101.6-66.8173.3000121.1
396P45Very low31Very low113 Ų113131.1 Ų131.173%0.73479%0.787SS**  cis-138.1-175.8-6.633.2-11.1000116.7
397A27.3Very low30.2Very low106 Ų106134.7 Ų134.788%0.87679%0.794SS**  trans83137.7156.200000119.5
398G26.4Very low29.5Very low68 Ų68139.4 Ų139.470%0.70181%0.808SS**  cis174.8161.5-8.700000115.8
399R28.9Very low29.2Very low262 Ų262137.1 Ų137.199%0.98981%0.807SS**  trans69.9130.6-176.5-55.9-178.3174.1-157.1-1.4115.9
400G25.7Very low28.6Very low74 Ų74138 Ų13876%0.76381%0.81SS**  cis158.9151.2-1800000115.8
401R27Very low27.8Very low262 Ų262142 Ų14299%0.98981%0.807SS**  trans70.7122.9161.8-149.7176-159.5-1153.1116.2
402G27Very low27.6Very low57 Ų57140.4 Ų140.459%0.58881%0.805SS**  cis-162154.4-2.200000110.1
403T26.3Very low27.2Very low135 Ų135144.5 Ų144.583%0.82880%0.801SS**  50.9124.786.764.90000113.5
404S26.4Very low27Very low92 Ų92147.5 Ų147.564%0.64380%0.8SS**  cis-160.7-163.95.1-129.20000108.8
405E27Very low26.8Very low144 Ų144150.3 Ų150.367%0.67380%0.798SS**  cis-144.5-119.815.6-159.655.2-95.600112.9
406Q26.8Very low26.7Very low164 Ų164148.7 Ų148.777%0.76679%0.79SS**  trans-132.9150.7-154.6-69.6167.722.700116.5
407R25Very low25.8Very low225 Ų225149.6 Ų149.685%0.84979%0.785SS**  trans-51.4134.8161.2169.3-165.4-170.6173.34.8113.4
408L24.9Very low25.6Very low172 Ų172152 Ų15290%0.90178%0.775SS**  trans-143.9148.7154.8-107172.1000111.5
409Q26.7Very low25.6Very low163 Ų163154.6 Ų154.676%0.76278%0.778SS**  trans-99.2149.8173-65.5171.4-50.500109.8
410V24.7Very low25.5Very low142 Ų142150.9 Ų150.986%0.86177%0.772SS**  trans-158.9159.2148.1121.80000111.1
411K23.9Very low25.5Very low190 Ų190154.2 Ų154.283%0.82677%0.772SS**  trans-66156175.7-61.6166.8176.3174.10111.4
412V28.4Very low25.5Very low146 Ų146147.9 Ų147.989%0.88576%0.762SS**  trans-114.6133.7159.2178.40000109.2
413Q22.5Very low25.5Very low171 Ų171147.9 Ų147.980%0.79976%0.762SS**  trans-145.5117.7172.8-169.4174.214.800107.9
414N22.1Very low25.6Very low133 Ų133147.8 Ų147.871%0.71176%0.762SS**  trans46.9128.7162.7-70.120.1000122.8
415F23.6Very low25.7Very low173 Ų173148.2 Ų148.276%0.75976%0.761SS**  trans85.5142.4135.2-91.5-114.7000122.5
416D24.3Very low25.8Very low130 Ų130148.4 Ų148.470%0.69576%0.762SS**  trans63.2143.5151.2-71.4-5.2000121.5
417E25.8Very low25.9Very low133 Ų133148.5 Ų148.562%0.62176%0.762SS**  cis-165162.5-18.2-144.3-155154.900110.9
418K25Very low26Very low155 Ų155146.8 Ų146.867%0.67476%0.764SS**  trans63.2160.1163.6-69.7172.3168.572.60116.4
419T25Very low26.1Very low123 Ų123141.7 Ų141.776%0.75575%0.753SS**  cis-151.5170.815.7-24.20000112
420Q26.7Very low26.2Very low184 Ų184143 Ų14386%0.8676%0.759SS**  trans91.1146.6165.9-60.7-171.9-8.300118.7
421N26.1Very low26.2Very low144 Ų144144.4 Ų144.477%0.7776%0.756SS**  cis-165.9154-37-151.16.3000112.2
422V27.8Very low26.1Very low129 Ų129140.3 Ų140.378%0.78275%0.751SS**  trans61.4130.1162.5-166.10000120.5
423G27.2Very low26.6Very low57 Ų57139.1 Ų139.159%0.58875%0.746SS**  trans119.882.4149.600000115.7
424T27.2Very low27.1Very low133 Ų133136.2 Ų136.282%0.81674%0.742SS**  57.4125.984.967.90000114
425T28.6Very low27.3Very low102 Ų102139.4 Ų139.463%0.62675%0.753SS**  cis-144.1160.622.240.90000114.3
426E28.9Very low27.3Very low148 Ų148139.6 Ų139.669%0.69276%0.756SS**  trans37.8145.6143.1-67.8108.6-119.900122.3
427E30.2Very low27.3Very low165 Ų165144.3 Ų144.377%0.77176%0.764SS**  cis-153.9166.28.1-129.8159.6-147.200113.5
428E27.4Very low27.2Very low189 Ų189148 Ų14888%0.88377%0.773SS**  trans-25.4158.1177.1-63.5167.3177.900121.3
429G26.5Very low27.1Very low65 Ų65147.4 Ų147.467%0.6777%0.772SS**  cis171.7172.9-1.100000114.5
430E27.3Very low27.1Very low190 Ų190146.1 Ų146.189%0.88877%0.768SS**  trans61.4147163-58.5-174.6163.200119.1
431E25.8Very low27Very low173 Ų173144.8 Ų144.881%0.80877%0.766SS**  cis-149.3-176-5.5-138.1-166.518000111.3
432S21.6Very low26.9Very low104 Ų104142.5 Ų142.573%0.72776%0.761SS**  trans-172.2170.8-176-920000112.4
433P38.8Very low26.7Very low120 Ų120145.8 Ų145.878%0.77977%0.768SS**  cis-127.8-103.2-9.721.35.4000116.1
434P33.1Very low26.6Very low110 Ų110146.9 Ų146.971%0.71478%0.78SS**  -132.4167.7-126.342.4-24.1000117.4
435Q26Very low26.4Very low200 Ų200145.2 Ų145.294%0.93578%0.779SS**  trans-140.4142.4152.9-72.2-159.2800114
436Q24.5Very low26.2Very low178 Ų178148.3 Ų148.383%0.83278%0.784SS**  trans-101.4143.4170.7-59.9173.1-19.100110.2
437R23.7Very low26Very low229 Ų229150.9 Ų150.986%0.86480%0.796SS**  176.3117.5124.5-96.7159.8-172.3-160.63.4114.7
438R24.5Very low25.8Very low210 Ų210150.1 Ų150.179%0.79279%0.792SS**  trans42.8142.6130.8-62.7-177.7167.1-160.11122.7
439H23.3Very low25.7Very low143 Ų143151.1 Ų151.166%0.66279%0.788SS**  trans98.498.5146.4-64.5-50.4000120.6
440S24.3Very low25.6Very low96 Ų96157.1 Ų157.167%0.67180%0.798SS**  74.7134.3112.9-55.20000122.6
441L25.1Very low25.5Very low156 Ų156152.9 Ų152.982%0.81778%0.779SS**  trans77.793.9144.7-71.8166000121.7
442S23.1Very low25.4Very low95 Ų95153.2 Ų153.266%0.66478%0.783SS**  67.7150.2117.569.70000123.3
443Q23.5Very low25.5Very low198 Ų198156.2 Ų156.293%0.92578%0.778SS**  trans77.7135.9173.5-54.2-176.1-6.600116.3
444G24.8Very low24.7Very low81 Ų81159 Ų15984%0.83578%0.778SS**  cis148.9112.4-18.800000116.3
445A22.8Very low24.3Very low97 Ų97160.8 Ų160.880%0.80278%0.782SS**  trans-151.4118.8156.900000107.1
446K24.1Very low24.3Very low168 Ų168162 Ų16273%0.7378%0.778SS**  71.7102.672.9-93-159163.7-127.80113.7E448K446-E448 IonicContact NZ-OE1 3.63Å; K446-E448 IonicContact NZ-OE2 2.75Å; K446-E448 PolarHBondContact NZ-OE2 3.48Å
447E25.4Very low24.4Very low201 Ų201158.7 Ų158.794%0.93977%0.774SS**  -143.2162.8124.5-131.5167.6-149.900109.3
448E25.7Very low24.6Very low150 Ų150157.3 Ų157.370%0.70178%0.775SS**  trans-120.6139.2-137.9-155.2146.2174.900114.5K446K446-E448 IonicContact NZ-OE1 3.63Å; K446-E448 IonicContact NZ-OE2 2.75Å; K446-E448 PolarHBondContact NZ-OE2 3.48Å
449R25.5Very low24.7Very low210 Ų210152.1 Ų152.179%0.79277%0.77SS**  trans-73.5147.3169.8-84.3-172.9177.1-173.33.3110.4E451R449-E451 IonicContact NH1-OE1 3.09Å; R449-E451 PolarHBondContact NH1-OE1 3.11Å; R449-E451 VanDerWaalsContact NH1-OE1 3.09Å
450Q24.4Very low24.9Very low190 Ų190153 Ų15389%0.88878%0.779SS**  trans-125.9121.3150.2-156.3166.323.700110.2
451E25.4Very low25Very low101 Ų101152.2 Ų152.247%0.47278%0.779SS.*  trans-92.4145.9172.8-69.1-173.7-165.800110.4R449 R453R449-E451 IonicContact NH1-OE1 3.09Å; R449-E451 PolarHBondContact NH1-OE1 3.11Å; R449-E451 VanDerWaalsContact NH1-OE1 3.09Å; E451-R453 IonicContact OE2-CZ 3.9Å; E451-R453 VanDerWaalsContact OE2-CZ 3.28Å; E451-R453 IonicContact OE2-NE 3.82Å; E451-R453 PolarHBondContact OE2-NE 2.61Å; E451-R453 VanDerWaalsContact OE2-NE 3.07Å; E451-R453 IonicContact OE2-NH2 3.55Å; E451-R453 PolarHBondContact OE2-NH2 3.04Å
452M23.6Very low25.2Very low181 Ų181151.8 Ų151.889%0.89278%0.776SS**  trans-128.2126.6162.8-76.5-73.4-89.500109.7
453R23.2Very low25.3Very low167 Ų167154.3 Ų154.363%0.6378%0.777SS**  trans-120.4162.5172.1-49.8177.1-169.3170.20.9106.5E451E451-R453 IonicContact OE2-CZ 3.9Å; E451-R453 VanDerWaalsContact OE2-CZ 3.28Å; E451-R453 IonicContact OE2-NE 3.82Å; E451-R453 PolarHBondContact OE2-NE 2.61Å; E451-R453 VanDerWaalsContact OE2-NE 3.07Å; E451-R453 IonicContact OE2-NH2 3.55Å; E451-R453 PolarHBondContact OE2-NH2 3.04Å
454F22.5Very low25.5Very low177 Ų177151.7 Ų151.778%0.77677%0.768SS**  cis-127.9-149.313.2-84.9-79.4000108.9
455N23.8Very low25.5Very low148 Ų148152 Ų15279%0.79176%0.762SS**  cis-158.1-164.610.9-153.6-17.3000112.2
456R27.8Very low25.7Very low226 Ų226158.2 Ų158.285%0.85377%0.765SS**  trans-105.4151.1-171.7-72.9168.1141.1178.7-5.3115
457S26.9Very low25.7Very low109 Ų109155.2 Ų155.276%0.76277%0.765SS**  -159.3131124.8-83.30000108.3
458K27Very low25.7Very low200 Ų200157 Ų15787%0.8776%0.763SS**  49.9134.485.5-70.7-173.5178.9-177.90113
459S26.1Very low25.7Very low101 Ų101154.1 Ų154.171%0.70676%0.76SS**  cis-173.8179.1-11.1-1660000108.1
460L28.6Very low25.7Very low160 Ų160152.1 Ų152.184%0.83876%0.764SS**  trans73.4129.4177.7-61.8121000114
461A26Very low25.7Very low81 Ų81147.8 Ų147.867%0.66976%0.755SS**  cis89.2138.24400000112.3
462L28.3Very low25.7Very low147 Ų147147.8 Ų147.877%0.7777%0.766SS**  cis-152.9158.14.4-118.1161.1000111.7
463H25.8Very low25.9Very low148 Ų148145.8 Ų145.869%0.68576%0.759SS**  trans4.6127.4155.4-78.4-147.8000120.5
464I26.9Very low26.1Very low143 Ų143144.1 Ų144.173%0.73377%0.768SS**  80.3116.877.7-69.6168.9000114.9
465A26.3Very low26.3Very low86 Ų86138.9 Ų138.971%0.71176%0.764SS**  trans-32164.5167.300000120.5
466R26.3Very low26.5Very low228 Ų228141 Ų14186%0.8677%0.769SS**  176.7162.9120.3-100166.3172.2-168.8-3.8115.8
467S24.2Very low26.5Very low105 Ų105137.3 Ų137.373%0.73477%0.766SS**  trans65.9135.2156.630.30000117.5
468R25.6Very low26.5Very low238 Ų238136.6 Ų136.690%0.89876%0.761SS**  63.9134.956.8-71.8-171178.8-176.4-1.3113
469S25.3Very low26.4Very low90 Ų90135.7 Ų135.763%0.62976%0.76SS**  cis-178.8162.3-8.146.10000110.4
470L25.6Very low26.5Very low169 Ų169135.2 Ų135.289%0.88576%0.762SS**  trans73.1148.8172.6-45.8172.1000113.4
471S23.8Very low26.3Very low98 Ų98134.6 Ų134.669%0.68577%0.765SS**  cis-158150.715.552.20000113
472S27.3Very low26.5Very low102 Ų102137.6 Ų137.671%0.71377%0.765SS**  trans50.1153136.769.80000122
473D27.3Very low26.6Very low138 Ų138136.7 Ų136.774%0.73877%0.768SS**  cis-160.4169.98.2-141.4-27.3000113
474T27.7Very low26.5Very low133 Ų133133.9 Ų133.982%0.81677%0.765SS**  trans61.7143.6164.563.90000118.8
475G26.1Very low26.4Very low67 Ų67133.1 Ų133.169%0.69177%0.767SS**  cis-178.8166.3-6.200000112.4
476E28.7Very low26.4Very low193 Ų193137 Ų13790%0.90277%0.77SS**  trans23.4139.7144.2-71.6162.8-172.500120.5
477D26.7Very low26.3Very low147 Ų147133.3 Ų133.379%0.78677%0.768SS**  cis-166.3-176.57.7-150.5-15.1000112.7
478S26Very low26.3Very low94 Ų94133.1 Ų133.166%0.65777%0.765SS**  trans82.2125.3152.3-55.60000123.8
479E26.2Very low26.3Very low181 Ų181128.6 Ų128.685%0.84676%0.764SS**  trans50.4105.8134-57.9-164.1130.600124.3
480A27Very low26.2Very low92 Ų92128.8 Ų128.876%0.7677%0.765SS**  64.3166.3112.400000124.3
481V25.4Very low26.1Very low146 Ų146128 Ų12889%0.88576%0.762SS**  trans82.5144.1169.5-163.30000116.9
482E30.4Very low26.2Very low145 Ų145127.3 Ų127.368%0.67876%0.762SS**  trans-68.3177.4170.3-59.5-165.8165.900112.1S484E482-S484 PolarHBondContact OE2-OG 3Å
483P29.8Very low26.1Very low127 Ų127131.3 Ų131.383%0.82577%0.769SS**  -138.7144.197.836.8-25.8000115.6
484S24.4Very low26.3Very low90 Ų90129.6 Ų129.663%0.62977%0.768SS**  trans-97.1134.2162.433.80000110.6E482E482-S484 PolarHBondContact OE2-OG 3Å
485T25.5Very low26.1Very low126 Ų126131.3 Ų131.377%0.77377%0.772SS**  trans-170.1123.915736.90000107.1
486E24.2Very low26.1Very low168 Ų168136.9 Ų136.979%0.78578%0.78SS**  76.1112.460.5-71-160.7146.800115.2
487N25.3Very low25.9Very low151 Ų151132.2 Ų132.281%0.80778%0.775SS**  -167120120.7-98.5-78.1000106.1
488C24.2Very low25.8Very low101 Ų101131.1 Ų131.168%0.68278%0.778SS**  65.6140.584-66.10000113
489V24.9Very low25.6Very low142 Ų142129.6 Ų129.686%0.86178%0.777SS**  cis-134.4152.537.4-176.50000113
490S24.1Very low25.5Very low94 Ų94125.9 Ų125.966%0.65777%0.772SS**  trans-96.2157.5179.1-43.70000113.6
491N24Very low25.3Very low154 Ų154129.4 Ų129.482%0.82477%0.772SS**  trans173.8129.3135.6-87.6-21.7000108.8
492A24.2Very low25.2Very low82 Ų82130.4 Ų130.468%0.67877%0.767SS**  72.4136.566.200000112.2
493Q26.1Very low24.8Very low187 Ų187130.4 Ų130.487%0.87478%0.777SS**  cis-155.1176.35.1-138.2167.43.100110.9
494S30.4Very low24.4Very low101 Ų101129.3 Ų129.371%0.70677%0.772SS**  trans-76.2162.6171.953.60000112.6
495N23.8Very low25Very low170 Ų170130.3 Ų130.391%0.90978%0.776SS**  trans-149.5157.8160.3-110-35.6000111.3
496Q25.8Very low24.8Very low184 Ų184129.7 Ų129.786%0.8678%0.777SS**  trans-113.5157.6-170.4-64.2-179.9-7.800113.1
497A24.4Very low24.8Very low95 Ų95128.8 Ų128.879%0.78577%0.773SS**  trans29.7137.6147.200000121.5
498S25.2Very low24.8Very low123 Ų123129.4 Ų129.486%0.8677%0.768SS**  172156.692-163.90000113.7
499G22.6Very low24.7Very low62 Ų62134 Ų13464%0.63978%0.776SS**  trans82.9143.3160.200000117.9
500S22.9Very low24.7Very low104 Ų104134.4 Ų134.473%0.72777%0.773SS**  cis141.8115.6-2561.70000110.8
501H24.6Very low24.7Very low166 Ų166137 Ų13777%0.76979%0.786SS**  trans159.9115.8152.9-85.6-58.6000105.8
502E22.1Very low24.7Very low167 Ų167134.3 Ų134.378%0.7878%0.779SS**  91.5147.659.9-84.4-166.8123.800114.9
503V22.8Very low24.6Very low145 Ų145136.9 Ų136.988%0.87978%0.781SS**  trans93.5112.8171.8-1700000117.3
504S20.6Very low24.6Very low103 Ų103135.1 Ų135.172%0.7278%0.777SS**  trans-112.3-168.3168.263.70000108.9
505P36.6Very low24.4Very low111 Ų111135.7 Ų135.772%0.72178%0.781SS**  cis-125.3178.1-2438.6-25000111.9
506S22.5Very low24.5Very low113 Ų113133 Ų13379%0.7977%0.771SS**  trans-176.2146.9133-84.80000114.2
507E24.3Very low24.3Very low149 Ų149129.1 Ų129.170%0.69676%0.764SS**  trans-33.1155.8167.6-44.9173.8112.900115.9
508K24.7Very low24.4Very low164 Ų164131.3 Ų131.371%0.71377%0.768SS**  cis-172.6150.944-136.3137.9-164.1159.30113.7
509K22.4Very low24.3Very low197 Ų197131.5 Ų131.586%0.85776%0.764SS**  trans80.1146.2146.7-142.4175.9-174.6-174.90120.5
510L25Very low24.5Very low152 Ų152133.3 Ų133.380%0.79677%0.772SS**  trans-77.4155.7178.9-57.466.7000112.5
511T23.7Very low24.6Very low149 Ų149137.1 Ų137.191%0.91478%0.779SS**  -153.8162.7114.715.50000111.4
512S23.2Very low24.7Very low97 Ų97140.7 Ų140.768%0.67879%0.786SS**  trans-91.1-176.9-178.5-171.80000112.2
513D23.6Very low24.8Very low135 Ų135142.1 Ų142.172%0.72279%0.789SS**  trans88.9123153.6-50.9-24.1000118.3
514N26Very low25Very low150 Ų150143.9 Ų143.980%0.80279%0.788SS**  trans-159.166.9147.6-124.1-24.5000111.3
515S25.3Very low25.3Very low113 Ų113144.8 Ų144.879%0.7979%0.789SS**  trans-82113.7156.642.30000108.2
516V25.8Very low24.8Very low113 Ų113148.3 Ų148.369%0.68580%0.795SS**  trans-105.2104.3-179.9-178.30000109.8
517S22.6Very low25.1Very low104 Ų104150.9 Ų150.973%0.72779%0.793SS**  trans-75.7141.9166.247.70000110.3
518V26.4Very low25.2Very low141 Ų141148.7 Ų148.786%0.85580%0.8SS**  trans-95.1100.8177-179.90000109.2
519T22.9Very low25.6Very low127 Ų127148 Ų14878%0.77980%0.799SS**  trans-77.8142.2161.737.80000110.2
520A27.5Very low26Very low99 Ų99146.3 Ų146.382%0.81880%0.798SS**  trans-97.8127.1179.100000111.1
521E23.8Very low26.1Very low185 Ų185147.9 Ų147.986%0.86480%0.798SS**  trans-113.8136.5164.2-70.6-156.6148.900111
522R26.9Very low26.5Very low241 Ų241148.1 Ų148.191%0.90979%0.794SS**  trans-93.1132170.9-87.4176.6158.8177.7-7.9110
523K24.2Very low26.9Very low197 Ų197152.2 Ų152.286%0.85780%0.802SS**  trans-140.5115149.5-79.8-173.1179164.20111.3
524E26.3Very low27.2Very low181 Ų181153.8 Ų153.885%0.84681%0.811SS**  trans-73.2163.1144.2-56165.1152.900106.1
525V27.8Very low27.5Very low123 Ų123149.9 Ų149.975%0.74581%0.806SS**  cis-143.8157.128.9-179.80000105.1
526E26.9Very low27.9Very low184 Ų184153.7 Ų153.786%0.8681%0.811SS**  -179.1162.174.2-164.9145.7-11500113
527K28.8Very low28.2Very low168 Ų168157.6 Ų157.673%0.7382%0.822SS**  trans-82.3143178.6-96.6-165173.5-162.10112.6E529K527-E529 WeakPolarHBondContact CE-OE1 3.48Å; K527-E529 IonicContact NZ-OE1 2.69Å; K527-E529 PolarHBondContact NZ-OE1 3.23Å
528A25.8Very low28.9Very low102 Ų102157.5 Ų157.584%0.84383%0.827SS**  trans-143.4118.7152.600000110.3
529E31.8Very low29.3Very low151 Ų151159.2 Ų159.271%0.70683%0.826SS**  trans-109110.9176.3-71.9168.1-165.300109.6K527K527-E529 WeakPolarHBondContact CE-OE1 3.48Å; K527-E529 IonicContact NZ-OE1 2.69Å; K527-E529 PolarHBondContact NZ-OE1 3.23Å
530I31.1Very low30Very low160 Ų160161.6 Ų161.682%0.82183%0.828SS**  trans-139.9107.8162.5-61.6-174.2000110.3
531K27.6Very low30.6Very low186 Ų186163.2 Ų163.281%0.80983%0.828SS**  trans44.4127.1150.6-66.6-173.2165.4-161.90121.5
532D32.6Very low31.5Very low154 Ų154163.3 Ų163.382%0.82483%0.828SS**  trans-62.5144.1144.2-48.4-86.9000112.1
533E31.7Very low32.8Very low182 Ų182154.6 Ų154.685%0.8581%0.808SS**  trans-154.5123.1134.4-127.5163.5-151.800110.6
534N29.2Very low35.5Very low169 Ų169147.2 Ų147.290%0.90478%0.778SS**  trans-15.3140.4-179-64.7-24.3000121
535G31.7Very low38.2Very low68 Ų68146.6 Ų146.670%0.70177%0.768SS**  142.1129115.300000118.6
536E35.3Very low40.9Very low192 Ų192140.8 Ų140.890%0.89773%0.732SS**  trans64.757.8147.5-55.6-170.2172.300120.5
537E31Very low43.9Very low195 Ų195135.6 Ų135.691%0.91171%0.707SS**  trans-12878.7136.4-79.8-162164.200110E539E537-E539 VanDerWaalsContact C-N 3.26Å; E537-E539 PolarHBondContact O-N 2.97Å
538A37.8Very low46.6Very low102 Ų102130.5 Ų130.584%0.84369%0.687SS**  trans-87.636.5-175.600000113.9Q540A538-Q540 PolarHBondContact O-N 3.02Å
539E34.2Very low49.6Very low178 Ų178127.2 Ų127.283%0.83265%0.654SS**  trans-92.788.7-176.6-65.8-147.1137.500113.7E537 V541E537-E539 VanDerWaalsContact C-N 3.26Å; E537-E539 PolarHBondContact O-N 2.97Å; E539-V541 PolarHBondContact O-N 3.22Å
540Q37.9Very low52.2Low176 Ų176120.1 Ų120.182%0.82262%0.621SS**  trans51.656.1143.9-57.3-175500117.8A538 Q542A538-Q540 PolarHBondContact O-N 3.02Å; Q540-Q542 PolarHBondContact O-N 3.03Å
541V40.3Very low55Low133 Ų133118.2 Ų118.281%0.80660%0.603SS**  trans-71.274.6149-173.90000108.8E539 A543E539-V541 PolarHBondContact O-N 3.22Å; V541-A543 VanDerWaalsContact C-N 3.28Å; V541-A543 PolarHBondContact O-N 3.35Å
542Q43.3Very low57.9Low187 Ų187114 Ų11487%0.87459%0.59SS**  trans-67.195.4162-176.5172.398.200106.7Q540 D544Q540-Q542 PolarHBondContact O-N 3.03Å; Q542-D544 PolarHBondContact O-N 2.78Å
543A54.1Low60.5Low58 Ų58108.4 Ų108.448%0.47956%0.56SS.*  trans-55.7124.2-163.600000111.9V541 R545 I548V541-A543 VanDerWaalsContact C-N 3.28Å; V541-A543 PolarHBondContact O-N 3.35Å; A543-R545 PolarHBondContact O-N 3.04Å; A543-I548 HydrophobicContact CB-CD1 3.89Å
544D79.3Confident63.2Low43 Ų43101.8 Ų101.823%0.2353%0.53CS..  trans-63112.1-174.3175.724.6000110.4Q542 L546 F547 I548 C633 S634Q542-D544 PolarHBondContact O-N 2.78Å; D544-L546 PolarHBondContact O-N 3.3Å; D544-L546 WeakPolarHBondContact OD1-CB 3.24Å; D544-L546 PolarHBondContact OD1-N 3.48Å; D544-L546 VanDerWaalsContact OD1-N 3.08Å; D544-F547 HydrophobicContact CB-CB 3.93Å; D544-F547 PolarHBondContact O-N 3.12Å; D544-F547 WeakPolarHBondContact OD2-CB 3.33Å; D544-F547 PolarHBondContact OD2-N 2.91Å; D544-I548 WeakPolarHBondContact O-CG1 3.4Å; D544-I548 PolarHBondContact O-N 3.23Å; D544-C633 VanDerWaalsContact OD2-CA 3.27Å; D544-C633 WeakPolarHBondContact OD2-CA 3.43Å; D544-C633 WeakPolarHBondContact OD2-CB 3.29Å; D544-S634 PolarHBondContact OD1-OG 3.17Å; D544-S634 PolarHBondContact OD2-N 3.36Å; D544-S634 PolarHBondContact OD2-OG 2.94Å
545R83.4Confident66Low168 Ų168100.7 Ų100.763%0.63452%0.519SS*.Hα-helixtrans-60.3-31.2-179.2-64.9-176.2180-172-0111.5A543 H549A543-R545 PolarHBondContact O-N 3.04Å; R545-H549 VanDerWaalsContact O-CB 3.28Å; R545-H549 WeakPolarHBondContact O-CB 3.46Å; R545-H549 PolarHBondContact O-N 3.37Å
546L86.1Confident68.7Low0 Ų0100.8 Ų100.80%051%0.506CS..Hα-helixtrans-69.4-50.8178.1-172.660.4000110.8D544 I548 H549 L550 L621 V639 F657 M661 T662D544-L546 PolarHBondContact O-N 3.3Å; D544-L546 WeakPolarHBondContact OD1-CB 3.24Å; D544-L546 PolarHBondContact OD1-N 3.48Å; D544-L546 VanDerWaalsContact OD1-N 3.08Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.44Å; L546-H549 PolarHBondContact O-N 2.95Å; L546-L550 HydrophobicContact CD1-CD1 4.06Å; L546-L550 HydrophobicContact CD1-CG 4.1Å; L546-L550 HydrophobicContact CG-CD1 3.88Å; L546-L550 HydrophobicContact CG-CG 4.31Å; L546-L550 WeakPolarHBondContact O-CB 3.45Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; L546-L550 PolarHBondContact O-N 2.94Å; L546-L621 HydrophobicContact CD1-CD2 4.21Å; L546-V639 HydrophobicContact CD2-CG1 3.74Å; L546-F657 HydrophobicContact CD2-CD1 4.47Å; L546-F657 HydrophobicContact CD2-CE1 3.73Å; L546-M661 HydrophobicContact CD1-CB 3.73Å; L546-T662 HydrophobicContact CD1-CG2 4.1Å
547F88.1Confident71.3Confident76 Ų7691.7 Ų91.733%0.33346%0.464SS..Hα-helixtrans-54.5-45.9173177.3-91.4000112.7D544 H549 R551 T631 L632 C633D544-F547 HydrophobicContact CB-CB 3.93Å; D544-F547 PolarHBondContact O-N 3.12Å; D544-F547 WeakPolarHBondContact OD2-CB 3.33Å; D544-F547 PolarHBondContact OD2-N 2.91Å; F547-H549 PolarHBondContact O-N 2.97Å; F547-R551 VanDerWaalsContact O-CB 3.24Å; F547-R551 WeakPolarHBondContact O-CB 3.4Å; F547-R551 PolarHBondContact O-N 2.86Å; F547-T631 HydrophobicContact CD2-CG2 3.8Å; F547-T631 HydrophobicContact CE2-CG2 4.09Å; F547-T631 HydrophobicContact CG-CG2 4.3Å; F547-T631 WeakPolarHBondContact O-CG2 3.36Å; F547-L632 WeakPolarHBondContact CA-O 3.49Å; F547-C633 HydrophobicContact CB-CB 4.07Å; F547-C633 HydrophobicContact CD2-CB 4.04Å; F547-C633 HydrophobicContact CG-CB 4.46Å
548I86.6Confident74.1Confident60 Ų6086.5 Ų86.531%0.30844%0.436SS..Hα-helixtrans-59.6-50.2176.9-68.3168.6000110.4A543 D544 L546 L550 R551 D552A543-I548 HydrophobicContact CB-CD1 3.89Å; D544-I548 WeakPolarHBondContact O-CG1 3.4Å; D544-I548 PolarHBondContact O-N 3.23Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.44Å; I548-L550 PolarHBondContact O-N 3.28Å; I548-R551 PolarHBondContact O-N 3.4Å; I548-D552 WeakPolarHBondContact CG2-OD2 3.45Å; I548-D552 WeakPolarHBondContact O-CB 3.34Å; I548-D552 PolarHBondContact O-N 3.05Å
549H87.9Confident76.6Confident33 Ų3388.4 Ų88.415%0.15343%0.427CS..Hα-helixtrans-62.2-45.3-178.6-175.491.4000112.9R545 L546 F547 D552 N553 T662 S665R545-H549 VanDerWaalsContact O-CB 3.28Å; R545-H549 WeakPolarHBondContact O-CB 3.46Å; R545-H549 PolarHBondContact O-N 3.37Å; L546-H549 PolarHBondContact O-N 2.95Å; F547-H549 PolarHBondContact O-N 2.97Å; H549-D552 PolarHBondContact O-N 2.86Å; H549-N553 WeakPolarHBondContact O-CB 3.42Å; H549-N553 PolarHBondContact O-N 2.89Å; H549-N553 PolarHBondContact O-ND2 3.31Å; H549-T662 HydrophobicContact CB-CG2 3.65Å; H549-S665 VanDerWaalsContact NE2-CA 3.34Å; H549-S665 WeakPolarHBondContact NE2-CA 3.39Å; H549-S665 WeakPolarHBondContact NE2-CB 3.21Å
550L88Confident79.4Confident2 Ų281.6 Ų81.61%0.0140%0.395CS..Hα-helixtrans-69.3-32.3179.2-67178.9000112.6L546 I548 M554 I557 L622 Q625 T631 L632L546-L550 HydrophobicContact CD1-CD1 4.06Å; L546-L550 HydrophobicContact CD1-CG 4.1Å; L546-L550 HydrophobicContact CG-CD1 3.88Å; L546-L550 HydrophobicContact CG-CG 4.31Å; L546-L550 WeakPolarHBondContact O-CB 3.45Å; L546-L550 WeakPolarHBondContact O-CG 3.47Å; L546-L550 PolarHBondContact O-N 2.94Å; I548-L550 PolarHBondContact O-N 3.28Å; L550-M554 WeakPolarHBondContact O-CA 3.21Å; L550-M554 WeakPolarHBondContact O-CB 3.25Å; L550-M554 PolarHBondContact O-N 3.46Å; L550-M554 VanDerWaalsContact O-N 3.17Å; L550-I557 HydrophobicContact CD2-CD1 3.7Å; L550-L622 HydrophobicContact CD2-CD2 4.47Å; L550-Q625 HydrophobicContact CB-CG 4.36Å; L550-Q625 HydrophobicContact CD2-CG 4.35Å; L550-T631 HydrophobicContact CB-CG2 3.7Å; L550-L632 HydrophobicContact CD1-CB 4.14Å
551R88.1Confident81.9Confident120 Ų12073.4 Ų73.445%0.45336%0.357SS..Hα-helixtrans-65.6-51.6171.8-176.7-166.167.9-162.3-6.5110.2F547 I548 N553 M554 T631F547-R551 VanDerWaalsContact O-CB 3.24Å; F547-R551 WeakPolarHBondContact O-CB 3.4Å; F547-R551 PolarHBondContact O-N 2.86Å; I548-R551 PolarHBondContact O-N 3.4Å; R551-N553 PolarHBondContact O-N 3.21Å; R551-M554 WeakPolarHBondContact O-CB 3.17Å; R551-M554 PolarHBondContact O-N 2.98Å; R551-T631 HydrophobicContact CB-CG2 3.88Å; R551-T631 VanDerWaalsContact N-CG2 3.3Å
552D88.9Confident84.2Confident97 Ų9773.8 Ų73.852%0.51935%0.348SS..Hα-helixtrans-74-15.8-171.7-63.1-11000112.6I548 H549I548-D552 WeakPolarHBondContact CG2-OD2 3.45Å; I548-D552 WeakPolarHBondContact O-CB 3.34Å; I548-D552 PolarHBondContact O-N 3.05Å; H549-D552 PolarHBondContact O-N 2.86Å
553N88Confident86.4Confident38 Ų3867.8 Ų67.820%0.20332%0.322CS..THydrogen-bonded Turntrans-112.414.3174.1-67-96.8000113.3H549 R551 E555 T556 I557 S665H549-N553 WeakPolarHBondContact O-CB 3.42Å; H549-N553 PolarHBondContact O-N 2.89Å; H549-N553 PolarHBondContact O-ND2 3.31Å; R551-N553 PolarHBondContact O-N 3.21Å; N553-E555 VanDerWaalsContact C-N 3.28Å; N553-E555 PolarHBondContact O-N 3.4Å; N553-E555 VanDerWaalsContact O-N 3.16Å; N553-T556 PolarHBondContact O-N 2.85Å; N553-T556 PolarHBondContact O-OG1 2.94Å; N553-I557 HydrophobicContact CB-CD1 3.85Å; N553-I557 HydrophobicContact CB-CG1 4.13Å; N553-I557 WeakPolarHBondContact O-CB 3.34Å; N553-I557 VanDerWaalsContact O-CG1 3.24Å; N553-I557 WeakPolarHBondContact O-CG1 3.48Å; N553-I557 PolarHBondContact O-N 2.92Å; N553-S665 VanDerWaalsContact CG-CB 3.47Å; N553-S665 WeakPolarHBondContact OD1-CB 3.47Å; N553-S665 PolarHBondContact OD1-OG 3.33Å
554M87.4Confident88.2Confident43 Ų4365.2 Ų65.221%0.21230%0.3CS..Hα-helixtrans-58.2-37.1-169.7-170.6-170.5-68.500113.6L550 R551 R558 T631L550-M554 WeakPolarHBondContact O-CA 3.21Å; L550-M554 WeakPolarHBondContact O-CB 3.25Å; L550-M554 PolarHBondContact O-N 3.46Å; L550-M554 VanDerWaalsContact O-N 3.17Å; R551-M554 WeakPolarHBondContact O-CB 3.17Å; R551-M554 PolarHBondContact O-N 2.98Å; M554-R558 VanDerWaalsContact O-CB 3.31Å; M554-R558 WeakPolarHBondContact O-CB 3.44Å; M554-R558 PolarHBondContact O-N 3.2Å; M554-R558 VanDerWaalsContact O-N 3.12Å; M554-R558 PolarHBondContact SD-NH2 3.28Å; M554-T631 WeakPolarHBondContact CE-OG1 3.5Å
555E87.8Confident88.7Confident145 Ų14564 Ų6468%0.67830%0.296SS*.Hα-helixtrans-74.5-45.6-179.4-60-168144.500112.1N553 I557 R558 E559N553-E555 VanDerWaalsContact C-N 3.28Å; N553-E555 PolarHBondContact O-N 3.4Å; N553-E555 VanDerWaalsContact O-N 3.16Å; E555-I557 VanDerWaalsContact C-N 3.33Å; E555-I557 PolarHBondContact O-N 3.24Å; E555-R558 WeakPolarHBondContact O-CB 3.47Å; E555-R558 PolarHBondContact O-N 3.26Å; E555-R558 VanDerWaalsContact O-N 3.09Å; E555-E559 PolarHBondContact O-N 2.97Å
556T89.1Confident89Confident70 Ų7061.2 Ų61.243%0.42929%0.289SS..Hα-helixtrans-64.3-38178.355.10000111.7N553 E559 F560N553-T556 PolarHBondContact O-N 2.85Å; N553-T556 PolarHBondContact O-OG1 2.94Å; T556-E559 PolarHBondContact O-N 3.31Å; T556-F560 WeakPolarHBondContact O-CB 3.5Å; T556-F560 PolarHBondContact O-N 3.4Å
557I90.4Very high89.2Confident1 Ų166.3 Ų66.31%0.00531%0.308CS..Hα-helixtrans-62.5-43.6171.6-66.8169.5000110.8L550 N553 E555 E559 F560 C561 L622 Q625L550-I557 HydrophobicContact CD2-CD1 3.7Å; N553-I557 HydrophobicContact CB-CD1 3.85Å; N553-I557 HydrophobicContact CB-CG1 4.13Å; N553-I557 WeakPolarHBondContact O-CB 3.34Å; N553-I557 VanDerWaalsContact O-CG1 3.24Å; N553-I557 WeakPolarHBondContact O-CG1 3.48Å; N553-I557 PolarHBondContact O-N 2.92Å; E555-I557 VanDerWaalsContact C-N 3.33Å; E555-I557 PolarHBondContact O-N 3.24Å; I557-E559 PolarHBondContact O-N 3.13Å; I557-F560 PolarHBondContact O-N 2.72Å; I557-C561 WeakPolarHBondContact O-CB 3.3Å; I557-C561 PolarHBondContact O-N 3.02Å; I557-C561 PolarHBondContact O-SG 3.42Å; I557-C561 VanDerWaalsContact O-SG 3.37Å; I557-L622 HydrophobicContact CD1-CD2 3.9Å; I557-L622 HydrophobicContact CG1-CD2 3.96Å; I557-L622 HydrophobicContact CG2-CB 4.2Å; I557-L622 HydrophobicContact CG2-CD2 3.93Å; I557-Q625 HydrophobicContact CG2-CB 4.43Å; I557-Q625 HydrophobicContact CG2-CG 4.4Å
558R90.3Very high89.4Confident86 Ų8662.9 Ų62.933%0.32529%0.293SS..Hα-helixtrans-66.8-36-179.9-171.2-175.4-64.7119.9-0.7112.8M554 E555 K562M554-R558 VanDerWaalsContact O-CB 3.31Å; M554-R558 WeakPolarHBondContact O-CB 3.44Å; M554-R558 PolarHBondContact O-N 3.2Å; M554-R558 VanDerWaalsContact O-N 3.12Å; M554-R558 PolarHBondContact SD-NH2 3.28Å; E555-R558 WeakPolarHBondContact O-CB 3.47Å; E555-R558 PolarHBondContact O-N 3.26Å; E555-R558 VanDerWaalsContact O-N 3.09Å; R558-K562 WeakPolarHBondContact O-CG 3.44Å
559E89.8Confident89.7Confident142 Ų14260.1 Ų60.166%0.66428%0.279SS*.Hα-helixtrans-73-45.7173.9-68.7-170.2155.200111.9E555 T556 I557 C561 K562 D563E555-E559 PolarHBondContact O-N 2.97Å; T556-E559 PolarHBondContact O-N 3.31Å; I557-E559 PolarHBondContact O-N 3.13Å; E559-C561 PolarHBondContact O-N 3.2Å; E559-K562 WeakPolarHBondContact O-CB 3.49Å; E559-K562 PolarHBondContact O-N 2.92Å; E559-D563 PolarHBondContact O-N 2.84Å
560F92Very high89.9Confident35 Ų3560.2 Ų60.215%0.15428%0.282CS..Hα-helixtrans-56-48.1175.8172.4-99.1000112.2T556 I557 K562 D563 M564 L622 T666 P667 L672T556-F560 WeakPolarHBondContact O-CB 3.5Å; T556-F560 PolarHBondContact O-N 3.4Å; I557-F560 PolarHBondContact O-N 2.72Å; F560-K562 PolarHBondContact O-N 3.01Å; F560-D563 PolarHBondContact O-N 2.88Å; F560-M564 HydrophobicContact CD1-SD 4.43Å; F560-M564 HydrophobicContact CE1-CB 4.28Å; F560-M564 HydrophobicContact CE1-CE 4.47Å; F560-M564 HydrophobicContact CE1-CG 4.4Å; F560-M564 HydrophobicContact CE1-SD 3.51Å; F560-M564 VanDerWaalsContact CE1-SD 3.51Å; F560-M564 HydrophobicContact CZ-CB 4.37Å; F560-M564 HydrophobicContact CZ-CG 4.43Å; F560-M564 HydrophobicContact CZ-SD 3.9Å; F560-M564 VanDerWaalsContact O-CB 3.29Å; F560-M564 WeakPolarHBondContact O-CB 3.27Å; F560-M564 PolarHBondContact O-N 3.04Å; F560-L622 HydrophobicContact CD1-CD1 4.07Å; F560-L622 HydrophobicContact CE1-CD1 3.84Å; F560-T666 HydrophobicContact CB-CG2 3.68Å; F560-T666 HydrophobicContact CD1-CG2 3.81Å; F560-T666 HydrophobicContact CD2-CG2 3.74Å; F560-T666 HydrophobicContact CE1-CG2 4.41Å; F560-T666 HydrophobicContact CE2-CG2 4.35Å; F560-T666 HydrophobicContact CG-CG2 3.44Å; F560-T666 VanDerWaalsContact CG-CG2 3.44Å; F560-P667 HydrophobicContact CZ-CG 4.3Å; F560-L672 HydrophobicContact CE2-CD1 3.57Å; F560-L672 HydrophobicContact CZ-CD1 3.6Å; F560-L672 HydrophobicContact CZ-CD2 4.24Å
561C90.9Very high90.1Very high5 Ų560.5 Ų60.53%0.03428%0.284CS..Hα-helixtrans-63-22.9178-73.80000113.4I557 E559 A565 L622I557-C561 WeakPolarHBondContact O-CB 3.3Å; I557-C561 PolarHBondContact O-N 3.02Å; I557-C561 PolarHBondContact O-SG 3.42Å; I557-C561 VanDerWaalsContact O-SG 3.37Å; E559-C561 PolarHBondContact O-N 3.2Å; C561-A565 WeakPolarHBondContact O-CB 3.38Å; C561-A565 PolarHBondContact O-N 3.15Å; C561-L622 PolarHBondContact SG-O 3.39Å
562K88.6Confident90.1Very high141 Ų14160.1 Ų60.161%0.61329%0.287SS*.Hα-helixtrans-76.4-36.6175.4-74169.8178.7-179.70113.6R558 E559 F560R558-K562 WeakPolarHBondContact O-CG 3.44Å; E559-K562 WeakPolarHBondContact O-CB 3.49Å; E559-K562 PolarHBondContact O-N 2.92Å; F560-K562 PolarHBondContact O-N 3.01Å
563D89.3Confident90Very high61 Ų6160.8 Ų60.833%0.32629%0.287SS..Hα-helixtrans-73-46.3169178.871.6000110.6E559 F560 A565 K566 R567 R669E559-D563 PolarHBondContact O-N 2.84Å; F560-D563 PolarHBondContact O-N 2.88Å; D563-A565 PolarHBondContact O-N 2.88Å; D563-K566 PolarHBondContact O-N 3.17Å; D563-R567 VanDerWaalsContact CG-NE 3.3Å; D563-R567 IonicContact OD1-CZ 2.99Å; D563-R567 VanDerWaalsContact OD1-CZ 3.3Å; D563-R567 IonicContact OD1-NE 2.88Å; D563-R567 PolarHBondContact OD1-NE 2.74Å; D563-R567 IonicContact OD1-NH2 3.24Å; D563-R567 PolarHBondContact OD1-NH2 3.03Å; D563-R567 IonicContact OD2-CZ 2.9Å; D563-R567 IonicContact OD2-NE 2.74Å; D563-R567 PolarHBondContact OD2-NE 3.35Å; D563-R567 IonicContact OD2-NH2 3.03Å; D563-R669 IonicContact OD2-NH1 3.28Å; D563-R669 PolarHBondContact OD2-NH1 2.94Å
564M91.9Very high90.2Very high3 Ų359.6 Ų59.62%0.01528%0.282CS..Hα-helixtrans-58-47.5-176.8-176-171.772.400111.8F560 K566 R567 I568 V570 I619F560-M564 HydrophobicContact CD1-SD 4.43Å; F560-M564 HydrophobicContact CE1-CB 4.28Å; F560-M564 HydrophobicContact CE1-CE 4.47Å; F560-M564 HydrophobicContact CE1-CG 4.4Å; F560-M564 HydrophobicContact CE1-SD 3.51Å; F560-M564 VanDerWaalsContact CE1-SD 3.51Å; F560-M564 HydrophobicContact CZ-CB 4.37Å; F560-M564 HydrophobicContact CZ-CG 4.43Å; F560-M564 HydrophobicContact CZ-SD 3.9Å; F560-M564 VanDerWaalsContact O-CB 3.29Å; F560-M564 WeakPolarHBondContact O-CB 3.27Å; F560-M564 PolarHBondContact O-N 3.04Å; M564-K566 PolarHBondContact O-N 2.7Å; M564-K566 VanDerWaalsContact O-N 3.16Å; M564-R567 PolarHBondContact O-N 3.23Å; M564-I568 HydrophobicContact CG-CB 4.36Å; M564-I568 PolarHBondContact O-N 3.23Å; M564-V570 HydrophobicContact CE-CG2 4.29Å; M564-I619 HydrophobicContact CE-CG2 3.85Å; M564-I619 HydrophobicContact SD-CB 4.45Å; M564-I619 HydrophobicContact SD-CG1 3.99Å; M564-I619 HydrophobicContact SD-CG2 3.94Å
565A89.4Confident90.3Very high19 Ų1961 Ų6116%0.15729%0.293CS..Hα-helixtrans-62.5-24.2-176.800000113.8C561 D563 R567 F690 W697C561-A565 WeakPolarHBondContact O-CB 3.38Å; C561-A565 PolarHBondContact O-N 3.15Å; D563-A565 PolarHBondContact O-N 2.88Å; A565-R567 VanDerWaalsContact C-N 3.33Å; A565-F690 WeakPolarHBondContact O-CD2 3.44Å; A565-F690 WeakPolarHBondContact O-CE2 3.47Å; A565-W697 PolarHBondContact O-NE1 3.37Å
566K90.3Very high90.4Very high108 Ų10855.1 Ų55.147%0.4727%0.265SS..Hα-helixtrans-77.2-15.9174.3-66.8-163.9176.7-161.60113.9D563 M564 F690 E692D563-K566 PolarHBondContact O-N 3.17Å; M564-K566 PolarHBondContact O-N 2.7Å; M564-K566 VanDerWaalsContact O-N 3.16Å; K566-F690 HydrophobicContact CD-CE1 4.4Å; K566-F690 HydrophobicContact CG-CD1 4.35Å; K566-F690 HydrophobicContact CG-CE1 3.89Å; K566-F690 HydrophobicContact CG-CE2 4.32Å; K566-F690 HydrophobicContact CG-CZ 3.87Å; K566-E692 IonicContact NZ-OE1 3.67Å; K566-E692 PolarHBondContact NZ-OE1 2.73Å
567R89.9Confident90.3Very high108 Ų10855.5 Ų55.541%0.40826%0.262SS..Hα-helixtrans-115.9-32.9-174.4-56-178.7-165.5-107.4-0.8113.7D563 M564 A565D563-R567 VanDerWaalsContact CG-NE 3.3Å; D563-R567 IonicContact OD1-CZ 2.99Å; D563-R567 VanDerWaalsContact OD1-CZ 3.3Å; D563-R567 IonicContact OD1-NE 2.88Å; D563-R567 PolarHBondContact OD1-NE 2.74Å; D563-R567 IonicContact OD1-NH2 3.24Å; D563-R567 PolarHBondContact OD1-NH2 3.03Å; D563-R567 IonicContact OD2-CZ 2.9Å; D563-R567 IonicContact OD2-NE 2.74Å; D563-R567 PolarHBondContact OD2-NE 3.35Å; D563-R567 IonicContact OD2-NH2 3.03Å; M564-R567 PolarHBondContact O-N 3.23Å; A565-R567 VanDerWaalsContact C-N 3.33Å
568I92.4Very high89.6Confident3 Ų359.4 Ų59.42%0.01530%0.295CS..SBendtrans-127.4122.2-175.8-65.8168.2000107.8M564 W616 L672 L675 L679M564-I568 HydrophobicContact CG-CB 4.36Å; M564-I568 PolarHBondContact O-N 3.23Å; I568-W616 HydrophobicContact CG2-CH2 4Å; I568-W616 HydrophobicContact CG2-CZ3 4.01Å; I568-L672 HydrophobicContact CD1-CB 3.82Å; I568-L672 HydrophobicContact CD1-CD2 3.85Å; I568-L672 HydrophobicContact CD1-CG 4.43Å; I568-L675 HydrophobicContact CD1-CB 4.38Å; I568-L679 HydrophobicContact CG2-CD1 4.37Å
569P93.1Very high88.4Confident3 Ų357.9 Ų57.92%0.01929%0.293CS..PPolyproline II helixtrans-67.4145.9170.533.9-38.9000109.9F590 L679 F684 W697P569-F590 HydrophobicContact CB-CD1 3.81Å; P569-F590 HydrophobicContact CB-CE1 3.73Å; P569-F590 HydrophobicContact CG-CD1 4.01Å; P569-F590 HydrophobicContact CG-CE1 3.58Å; P569-F590 HydrophobicContact CG-CZ 4.22Å; P569-L679 HydrophobicContact CG-CD1 4.15Å; P569-L679 HydrophobicContact CG-CD2 4.05Å; P569-F684 HydrophobicContact CB-CE1 3.86Å; P569-F684 HydrophobicContact CB-CZ 3.69Å; P569-F684 HydrophobicContact CG-CD1 4.1Å; P569-F684 HydrophobicContact CG-CE1 3.5Å; P569-F684 VanDerWaalsContact CG-CE1 3.5Å; P569-F684 HydrophobicContact CG-CE2 4.26Å; P569-F684 HydrophobicContact CG-CZ 3.59Å; P569-W697 HydrophobicContact CB-CD2 4.25Å; P569-W697 HydrophobicContact CB-CG 3.94Å
570V91.5Very high86.8Confident34 Ų3456.8 Ų56.821%0.20630%0.301CS..PPolyproline II helixtrans-97.2127.1170.9-175.60000108.4M564 I619 M620 H623M564-V570 HydrophobicContact CE-CG2 4.29Å; V570-I619 HydrophobicContact CG2-CG2 4.19Å; V570-M620 HydrophobicContact CG1-CG 4.24Å; V570-H623 HydrophobicContact CG1-CB 3.95Å; V570-H623 HydrophobicContact CG2-CB 4.06Å
571P92.9Very high85Confident8 Ų862.1 Ų62.15%0.05233%0.331CS..PPolyproline II helixtrans-68.8146.4-178.227.1-34.2000111.8L588 F590 W616 M620P571-L588 HydrophobicContact CB-CB 4.09Å; P571-L588 HydrophobicContact CB-CD2 4.44Å; P571-L588 HydrophobicContact CG-CD2 4.11Å; P571-F590 HydrophobicContact CB-CD1 4.13Å; P571-F590 HydrophobicContact CB-CE1 3.71Å; P571-F590 HydrophobicContact CB-CE2 4.33Å; P571-F590 HydrophobicContact CB-CZ 3.83Å; P571-F590 HydrophobicContact CG-CE1 4.29Å; P571-F590 HydrophobicContact CG-CZ 4.33Å; P571-W616 HydrophobicContact CG-CE3 4.14Å; P571-W616 HydrophobicContact CG-CZ3 4.46Å; P571-M620 HydrophobicContact CG-CG 4.17Å; P571-M620 HydrophobicContact CG-SD 4.01Å
572E88.1Confident83.3Confident113 Ų11371.5 Ų71.553%0.52837%0.366SS..SBendtrans-75.5-36174.8-174.4-177.6176.500111S589 S591E572-S589 PolarHBondContact N-O 3.08Å; E572-S591 WeakPolarHBondContact OE2-CB 3.2Å; E572-S591 PolarHBondContact OE2-OG 2.89Å
573Q86.7Confident82.6Confident110 Ų11066.6 Ų66.651%0.51436%0.355SS..EExtended strand (participates in β ladder)trans-134.6144.1179.9-51.4-177.3600110.6L588 S589Q573-L588 WeakPolarHBondContact O-CA 3.33Å; Q573-S589 PolarHBondContact N-O 3.06Å; Q573-S589 PolarHBondContact O-N 3.3Å
574C92.3Very high82.2Confident14 Ų1465.6 Ų65.610%0.09535%0.353CS..EExtended strand (participates in β ladder)trans-134.1128.3175.3176.70000108.7K587 L588 M620 L645C574-K587 CarbonylContact C-O 3.58Å; C574-K587 WeakPolarHBondContact CA-O 3.46Å; C574-L588 HydrophobicContact CB-CD2 3.81Å; C574-L588 VanDerWaalsContact SG-CD2 3.54Å; C574-M620 HydrophobicContact CB-CE 3.95Å; C574-M620 HydrophobicContact CB-SD 3.65Å; C574-L645 HydrophobicContact CB-CD1 4.12Å
575V90.4Very high82Confident73 Ų7365.9 Ų65.944%0.44236%0.355SS..EExtended strand (participates in β ladder)trans-126127.7177.8-178.40000108.2E577 A586 K587V575-E577 HydrophobicContact CG1-CG 4.48Å; V575-A586 WeakPolarHBondContact O-CA 3.41Å; V575-K587 PolarHBondContact N-O 3.46Å; V575-K587 PolarHBondContact O-N 2.85Å
576I89.7Confident82.1Confident20 Ų2065 Ų6510%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-91.4126.6174.2-55.6-52.6000109.3C584 V585 A586 P613 L645 K648 T649I576-C584 HydrophobicContact CG2-CB 3.99Å; I576-V585 WeakPolarHBondContact CA-O 3.4Å; I576-A586 HydrophobicContact CD1-CB 3.84Å; I576-P613 HydrophobicContact CD1-CB 3.64Å; I576-L645 HydrophobicContact CG1-CB 4.11Å; I576-L645 HydrophobicContact CG1-CD2 4.11Å; I576-K648 HydrophobicContact CB-CB 4.24Å; I576-K648 HydrophobicContact CG2-CB 4.16Å; I576-T649 HydrophobicContact CB-CG2 4.46Å; I576-T649 HydrophobicContact CD1-CG2 3.91Å; I576-T649 HydrophobicContact CG1-CG2 3.9Å; I576-T649 HydrophobicContact CG2-CG2 3.72Å
577E85.8Confident82.1Confident78 Ų7863 Ų6336%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-118.8150.8172-68.8-178.1-174.500110.4V575 C584 V585 K587V575-E577 HydrophobicContact CG1-CG 4.48Å; E577-C584 WeakPolarHBondContact O-CA 3.44Å; E577-V585 HydrophobicContact CB-CG2 4.09Å; E577-V585 PolarHBondContact N-O 2.91Å; E577-V585 PolarHBondContact O-N 3.26Å; E577-K587 VanDerWaalsContact CD-CE 3.49Å; E577-K587 WeakPolarHBondContact OE1-CD 3.45Å; E577-K587 WeakPolarHBondContact OE1-CE 3.35Å; E577-K587 IonicContact OE1-NZ 3.32Å; E577-K587 PolarHBondContact OE1-NZ 3.22Å; E577-K587 WeakPolarHBondContact OE2-CE 3.45Å; E577-K587 IonicContact OE2-NZ 3.69Å; E577-K587 PolarHBondContact OE2-NZ 3.07Å
578A75.6Confident82.3Confident83 Ų8357.8 Ų57.869%0.68632%0.319SS*.EExtended strand (participates in β ladder)trans-91.4115.1174.600000110.1S580A578-S580 PolarHBondContact O-N 3.11Å
579D65.9Low82.3Confident54 Ų5458.5 Ų58.529%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-78112.4164.2178.5-29.2000107.9N581 R582 G583 V585D579-N581 PolarHBondContact O-N 3.31Å; D579-N581 PolarHBondContact OD1-N 2.91Å; D579-R582 HydrophobicContact CB-CB 4.43Å; D579-R582 PolarHBondContact O-N 3.31Å; D579-R582 PolarHBondContact OD1-N 3.27Å; D579-R582 VanDerWaalsContact OD1-N 3.08Å; D579-R582 WeakPolarHBondContact OD2-CB 3.48Å; D579-G583 WeakPolarHBondContact CA-O 3.44Å; D579-G583 PolarHBondContact N-O 3Å; D579-G583 PolarHBondContact O-N 2.94Å; D579-G583 VanDerWaalsContact O-N 3.11Å; D579-V585 HydrophobicContact CB-CG1 4.33Å
580S55.7Low82.3Confident119 Ų11958.7 Ų58.783%0.83233%0.325SS*.THydrogen-bonded Turntrans-52.9-24.2-177.3-55.50000114.5A578A578-S580 PolarHBondContact O-N 3.11Å
581N55Low82.2Confident148 Ų14858.3 Ų58.379%0.79132%0.324SS*.THydrogen-bonded Turntrans-115.6-10.9-173.9-68.6-13.7000113.9D579D579-N581 PolarHBondContact O-N 3.31Å; D579-N581 PolarHBondContact OD1-N 2.91Å
582R56Low82Confident201 Ų20158 Ų5876%0.75832%0.321SS*.THydrogen-bonded Turntrans-136.9-9.3-172.9-57-176.2179.9-90.5-2.9117.2D579D579-R582 HydrophobicContact CB-CB 4.43Å; D579-R582 PolarHBondContact O-N 3.31Å; D579-R582 PolarHBondContact OD1-N 3.27Å; D579-R582 VanDerWaalsContact OD1-N 3.08Å; D579-R582 WeakPolarHBondContact OD2-CB 3.48Å
583G71.9Confident82Confident38 Ų3856.8 Ų56.839%0.39232%0.323SS..EExtended strand (participates in β ladder)trans123.3-139.7175.800000113.6D579D579-G583 WeakPolarHBondContact CA-O 3.44Å; D579-G583 PolarHBondContact N-O 3Å; D579-G583 PolarHBondContact O-N 2.94Å; D579-G583 VanDerWaalsContact O-N 3.11Å
584C81Confident81.9Confident40 Ų4055.3 Ų55.327%0.2732%0.319SS..EExtended strand (participates in β ladder)trans-111129.4-179.5-67.10000111.4I576 E577 T649I576-C584 HydrophobicContact CG2-CB 3.99Å; E577-C584 WeakPolarHBondContact O-CA 3.44Å; C584-T649 HydrophobicContact CB-CG2 4.22Å
585V88.6Confident81.5Confident10 Ų1060 Ų606%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-111.4146.4179-62.20000111.1I576 E577 D579 T609I576-V585 WeakPolarHBondContact CA-O 3.4Å; E577-V585 HydrophobicContact CB-CG2 4.09Å; E577-V585 PolarHBondContact N-O 2.91Å; E577-V585 PolarHBondContact O-N 3.26Å; D579-V585 HydrophobicContact CB-CG1 4.33Å; V585-T609 HydrophobicContact CB-CG2 3.97Å; V585-T609 HydrophobicContact CG2-CG2 4.05Å
586A90.7Very high80.9Confident0 Ų058 Ų580%033%0.332CS..EExtended strand (participates in β ladder)trans-97.2119.4170.300000110.5V575 I576 L588 T609 S610 P613V575-A586 WeakPolarHBondContact O-CA 3.41Å; I576-A586 HydrophobicContact CD1-CB 3.84Å; A586-L588 HydrophobicContact CB-CD2 3.9Å; A586-L588 HydrophobicContact CB-CG 4.26Å; A586-T609 CarbonylContact O-C 3.57Å; A586-T609 WeakPolarHBondContact O-CA 3.4Å; A586-S610 PolarHBondContact N-O 3.3Å; A586-S610 PolarHBondContact O-N 3.44Å; A586-P613 HydrophobicContact CB-CB 3.85Å
587K91.7Very high80.2Confident65 Ų6566.3 Ų66.328%0.28336%0.363SS..EExtended strand (participates in β ladder)trans-86.4126.6160.8-77.5-175.3-174.61630109.2C574 V575 E577 L607 L608 T609C574-K587 CarbonylContact C-O 3.58Å; C574-K587 WeakPolarHBondContact CA-O 3.46Å; V575-K587 PolarHBondContact N-O 3.46Å; V575-K587 PolarHBondContact O-N 2.85Å; E577-K587 VanDerWaalsContact CD-CE 3.49Å; E577-K587 WeakPolarHBondContact OE1-CD 3.45Å; E577-K587 WeakPolarHBondContact OE1-CE 3.35Å; E577-K587 IonicContact OE1-NZ 3.32Å; E577-K587 PolarHBondContact OE1-NZ 3.22Å; E577-K587 WeakPolarHBondContact OE2-CE 3.45Å; E577-K587 IonicContact OE2-NZ 3.69Å; E577-K587 PolarHBondContact OE2-NZ 3.07Å; K587-L607 HydrophobicContact CB-CD1 4.21Å; K587-L608 CarbonylContact C-O 3.59Å; K587-L608 WeakPolarHBondContact CA-O 3.46Å; K587-T609 HydrophobicContact CG-CG2 4.41Å
588L94Very high79.8Confident0 Ų066.9 Ų66.90%036%0.363CS..EExtended strand (participates in β ladder)trans-124.3126.5-169.7-55175.4000109.6P571 Q573 C574 A586 F590 L607 L608 W616P571-L588 HydrophobicContact CB-CB 4.09Å; P571-L588 HydrophobicContact CB-CD2 4.44Å; P571-L588 HydrophobicContact CG-CD2 4.11Å; Q573-L588 WeakPolarHBondContact O-CA 3.33Å; C574-L588 HydrophobicContact CB-CD2 3.81Å; C574-L588 VanDerWaalsContact SG-CD2 3.54Å; A586-L588 HydrophobicContact CB-CD2 3.9Å; A586-L588 HydrophobicContact CB-CG 4.26Å; L588-F590 HydrophobicContact CB-CE2 3.8Å; L588-F590 HydrophobicContact CB-CZ 4.24Å; L588-L607 WeakPolarHBondContact O-CA 3.28Å; L588-L608 HydrophobicContact CB-CB 4.31Å; L588-L608 HydrophobicContact CD1-CD2 4.28Å; L588-L608 HydrophobicContact CD1-CG 4.48Å; L588-L608 PolarHBondContact N-O 3.1Å; L588-L608 PolarHBondContact O-N 3.17Å; L588-W616 HydrophobicContact CD1-CB 4.47Å; L588-W616 HydrophobicContact CD1-CD2 3.44Å; L588-W616 VanDerWaalsContact CD1-CD2 3.44Å; L588-W616 HydrophobicContact CD1-CE3 4.02Å; L588-W616 HydrophobicContact CD1-CG 3.65Å; L588-W616 HydrophobicContact CD1-CH2 4.42Å; L588-W616 HydrophobicContact CD1-CZ2 3.9Å; L588-W616 HydrophobicContact CD1-CZ3 4.48Å; L588-W616 HydrophobicContact CD2-CB 4.35Å; L588-W616 HydrophobicContact CD2-CG 4.36Å
589S91.6Very high80.1Confident18 Ų1863 Ų6313%0.12633%0.331CS..EExtended strand (participates in β ladder)trans-107.7127.2-179.4-52.90000111.1E572 Q573 F606E572-S589 PolarHBondContact N-O 3.08Å; Q573-S589 PolarHBondContact N-O 3.06Å; Q573-S589 PolarHBondContact O-N 3.3Å; S589-F606 WeakPolarHBondContact CA-O 3.46Å
590F92.6Very high80.8Confident6 Ų660.6 Ų60.63%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-117.7117.5177.6-58.4-92.2000109.9P569 P571 L588 S605 F606 L608 W616 F684P569-F590 HydrophobicContact CB-CD1 3.81Å; P569-F590 HydrophobicContact CB-CE1 3.73Å; P569-F590 HydrophobicContact CG-CD1 4.01Å; P569-F590 HydrophobicContact CG-CE1 3.58Å; P569-F590 HydrophobicContact CG-CZ 4.22Å; P571-F590 HydrophobicContact CB-CD1 4.13Å; P571-F590 HydrophobicContact CB-CE1 3.71Å; P571-F590 HydrophobicContact CB-CE2 4.33Å; P571-F590 HydrophobicContact CB-CZ 3.83Å; P571-F590 HydrophobicContact CG-CE1 4.29Å; P571-F590 HydrophobicContact CG-CZ 4.33Å; L588-F590 HydrophobicContact CB-CE2 3.8Å; L588-F590 HydrophobicContact CB-CZ 4.24Å; F590-S605 CarbonylContact O-C 3.49Å; F590-S605 WeakPolarHBondContact O-CA 3.47Å; F590-S605 WeakPolarHBondContact O-CB 3.47Å; F590-F606 HydrophobicContact CB-CB 4.43Å; F590-F606 HydrophobicContact CD2-CD1 4.13Å; F590-F606 PolarHBondContact N-O 3.44Å; F590-F606 PolarHBondContact O-N 3.05Å; F590-L608 HydrophobicContact CE2-CB 3.97Å; F590-L608 HydrophobicContact CE2-CD2 4.23Å; F590-W616 HydrophobicContact CZ-CH2 4.13Å; F590-W616 HydrophobicContact CZ-CZ3 4.23Å; F590-F684 HydrophobicContact CB-CE2 3.98Å; F590-F684 HydrophobicContact CD1-CE2 4.32Å; F590-F684 HydrophobicContact CD2-CE2 4.37Å; F590-F684 AromaticContact CG-CE2 3.99Å; F590-F684 HydrophobicContact CG-CE2 3.99Å
591S89.8Confident82.1Confident27 Ų2755.9 Ų55.919%0.18928%0.282CS..  trans-102.5165.3173.773.50000111.5E572E572-S591 WeakPolarHBondContact OE2-CB 3.2Å; E572-S591 PolarHBondContact OE2-OG 2.89Å
592C90Very high83.3Confident0 Ų050.2 Ų50.20%026%0.256CS..  trans-94.7118.9171.8-179.60000109.1L594 K595 C599 F688 C699 C702C592-L594 PolarHBondContact O-N 3.18Å; C592-K595 WeakPolarHBondContact O-CG 3.42Å; C592-K595 PolarHBondContact O-N 3.41Å; C592-C599 VanDerWaalsContact CB-SG 3.53Å; C592-F688 HydrophobicContact CB-CE1 4.21Å; C592-C699 HydrophobicContact CB-CB 3.96Å; C592-C699 PolarHBondContact SG-N 3.08Å; C592-C702 VanDerWaalsContact SG-SG 3.62Å
593P86.4Confident84.4Confident88 Ų8847.7 Ų47.757%0.57125%0.25SS*.THydrogen-bonded Turntrans-65.9-37.5-170.224.5-33.6000113.4K595 W697 L698P593-K595 VanDerWaalsContact C-N 3.31Å; P593-K595 PolarHBondContact O-N 3.26Å; P593-W697 WeakPolarHBondContact CD-O 3.38Å; P593-L698 HydrophobicContact CG-CD2 3.84Å
594L84.7Confident84.9Confident79 Ų7947.7 Ų47.741%0.41424%0.244SC..THydrogen-bonded Turntrans-66.7-24.2-178.7-80.2-178000115C592 G596 E694 L698 C702C592-L594 PolarHBondContact O-N 3.18Å; L594-G596 PolarHBondContact O-N 3.43Å; L594-E694 HydrophobicContact CD1-CG 4Å; L594-E694 HydrophobicContact CD2-CG 4.46Å; L594-E694 HydrophobicContact CG-CG 4.32Å; L594-L698 HydrophobicContact CB-CD2 4.28Å; L594-L698 HydrophobicContact CD1-CD1 3.8Å; L594-L698 HydrophobicContact CD1-CD2 3.83Å; L594-L698 HydrophobicContact CD1-CG 4.47Å; L594-L698 HydrophobicContact CG-CD2 3.83Å; L594-C702 HydrophobicContact CD1-CB 4.5Å
595K83.6Confident85.2Confident112 Ų11248.2 Ų48.249%0.48725%0.248SC..  trans38.837.3-177.2-59.2-169.1178.6-176.90115.6C592 P593C592-K595 WeakPolarHBondContact O-CG 3.42Å; C592-K595 PolarHBondContact O-N 3.41Å; P593-K595 VanDerWaalsContact C-N 3.31Å; P593-K595 PolarHBondContact O-N 3.26Å
596G79.3Confident85.2Confident31 Ų3149 Ų4932%0.3225%0.251SS..  trans-61.2166.5-176.900000113.7L594 Y598 C599L594-G596 PolarHBondContact O-N 3.43Å; G596-Y598 VanDerWaalsContact C-N 3.28Å; G596-Y598 PolarHBondContact O-N 3.48Å; G596-Y598 VanDerWaalsContact O-N 3.08Å; G596-C599 WeakPolarHBondContact O-CB 3.4Å; G596-C599 PolarHBondContact O-N 2.94Å
597Y75.2Confident85.1Confident196 Ų19653.8 Ų53.877%0.76928%0.276SS*.THydrogen-bonded Turntrans-52.3-38.7-169.8-171.6-99.2000115.1
598Y76.1Confident85Confident90 Ų9050.9 Ų50.935%0.35326%0.263SS..THydrogen-bonded Turntrans-98.916.2177.1-58.8-63.9000114.1G596 L600 M701 A708 T709 N712G596-Y598 VanDerWaalsContact C-N 3.28Å; G596-Y598 PolarHBondContact O-N 3.48Å; G596-Y598 VanDerWaalsContact O-N 3.08Å; Y598-L600 PolarHBondContact O-N 3.41Å; Y598-M701 WeakPolarHBondContact O-CB 3.25Å; Y598-M701 WeakPolarHBondContact O-CG 3.32Å; Y598-A708 HydrophobicContact CD2-CB 4.06Å; Y598-A708 HydrophobicContact CG-CB 4.17Å; Y598-T709 HydrophobicContact CE2-CG2 4.11Å; Y598-N712 HydrophobicContact CD1-CB 4.42Å; Y598-N712 VanDerWaalsContact CD1-ND2 3.3Å; Y598-N712 WeakPolarHBondContact CD1-ND2 3.48Å; Y598-N712 HydrophobicContact CE1-CB 4.02Å
599C82.6Confident84.8Confident2 Ų254 Ų541%0.01428%0.283CS..  trans-60.3132.6-179.1-175.70000111.6C592 G596 Y601 A602 C699 R827C592-C599 VanDerWaalsContact CB-SG 3.53Å; G596-C599 WeakPolarHBondContact O-CB 3.4Å; G596-C599 PolarHBondContact O-N 2.94Å; C599-Y601 PolarHBondContact O-N 2.92Å; C599-Y601 VanDerWaalsContact SG-C 3.58Å; C599-Y601 PolarHBondContact SG-N 3.33Å; C599-Y601 VanDerWaalsContact SG-N 3.37Å; C599-A602 HydrophobicContact CB-CB 4.19Å; C599-C699 PolarHBondContact SG-SG 3.29Å; C599-R827 PolarHBondContact O-NH2 3.21Å
600L80.8Confident84.7Confident2 Ų253.2 Ų53.21%0.0128%0.277CS..THydrogen-bonded Turntrans-65.1-25.5175.5-60.2177.2000112.5Y598 C699 F700 M701 V816 Q820Y598-L600 PolarHBondContact O-N 3.41Å; L600-C699 HydrophobicContact CB-CB 4.29Å; L600-C699 HydrophobicContact CD1-CB 4.4Å; L600-F700 HydrophobicContact CD1-CB 4.29Å; L600-M701 HydrophobicContact CD1-CG 4.38Å; L600-M701 HydrophobicContact CD2-CE 4.37Å; L600-M701 HydrophobicContact CD2-CG 3.74Å; L600-M701 HydrophobicContact CG-CB 4.4Å; L600-M701 HydrophobicContact CG-CG 3.81Å; L600-V816 HydrophobicContact CD1-CG1 4.41Å; L600-Q820 HydrophobicContact CD2-CB 3.79Å; L600-Q820 HydrophobicContact CD2-CG 4.27Å
601Y83.1Confident84.6Confident20 Ų2058.3 Ų58.38%0.07830%0.301CS..THydrogen-bonded Turntrans-127.451.1-173.7-60.4-70.8000110.7C599 S604 F606 F688 C699C599-Y601 PolarHBondContact O-N 2.92Å; C599-Y601 VanDerWaalsContact SG-C 3.58Å; C599-Y601 PolarHBondContact SG-N 3.33Å; C599-Y601 VanDerWaalsContact SG-N 3.37Å; Y601-S604 WeakPolarHBondContact CB-O 3.49Å; Y601-F606 HydrophobicContact CE1-CB 4.05Å; Y601-F688 HydrophobicContact CD2-CE1 4.37Å; Y601-F688 AromaticContact CD2-CE2 3.61Å; Y601-F688 HydrophobicContact CD2-CE2 3.61Å; Y601-F688 AromaticContact CD2-CZ 3.41Å; Y601-F688 HydrophobicContact CD2-CZ 3.41Å; Y601-F688 VanDerWaalsContact CD2-CZ 3.41Å; Y601-F688 HydrophobicContact CE2-CD2 4.19Å; Y601-F688 AromaticContact CE2-CE2 3.28Å; Y601-F688 HydrophobicContact CE2-CE2 3.28Å; Y601-F688 AromaticContact CE2-CZ 3.65Å; Y601-F688 HydrophobicContact CE2-CZ 3.65Å; Y601-F688 HydrophobicContact CG-CZ 4.17Å; Y601-C699 HydrophobicContact CD2-CB 3.79Å; Y601-C699 HydrophobicContact CE2-CB 4.28Å
602A79.9Confident84.5Confident30 Ų3060.3 Ų60.325%0.24831%0.307CS..SBendtrans-75.7-47.8-179.500000111.7C599C599-A602 HydrophobicContact CB-CB 4.19Å
603K78.3Confident84.5Confident148 Ų14860.5 Ų60.564%0.64331%0.309SS*.SBendtrans-103.2-15.9173.8-69.3-174.4175.8-174.30113.5T830K603-T830 PolarHBondContact NZ-OG1 2.85Å
604S83.3Confident84.6Confident38 Ų3859.6 Ų59.627%0.26630%0.297SS..  trans-114179.9-171.756.50000112.3Y601 E823Y601-S604 WeakPolarHBondContact CB-O 3.49Å; S604-E823 WeakPolarHBondContact CB-OE2 3.34Å; S604-E823 PolarHBondContact OG-OE2 3.24Å
605S86.6Confident84.9Confident51 Ų5156.9 Ų56.936%0.35728%0.282SS..  trans-144.1150.5174.662.20000110.3F590F590-S605 CarbonylContact O-C 3.49Å; F590-S605 WeakPolarHBondContact O-CA 3.47Å; F590-S605 WeakPolarHBondContact O-CB 3.47Å
606F88.2Confident85.3Confident26 Ų2651.6 Ų51.611%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-73.5131.4171.5179.4-85.6000109.5S589 F590 Y601 L608 V682 F684 L687 F688S589-F606 WeakPolarHBondContact CA-O 3.46Å; F590-F606 HydrophobicContact CB-CB 4.43Å; F590-F606 HydrophobicContact CD2-CD1 4.13Å; F590-F606 PolarHBondContact N-O 3.44Å; F590-F606 PolarHBondContact O-N 3.05Å; Y601-F606 HydrophobicContact CE1-CB 4.05Å; F606-L608 HydrophobicContact CE1-CB 4.28Å; F606-V682 HydrophobicContact CE1-CG2 4.11Å; F606-V682 HydrophobicContact CZ-CB 4.26Å; F606-V682 HydrophobicContact CZ-CG2 3.83Å; F606-F684 AromaticContact CD1-CD2 3.71Å; F606-F684 HydrophobicContact CD1-CD2 3.71Å; F606-F684 HydrophobicContact CD1-CE2 4.23Å; F606-F684 HydrophobicContact CE1-CB 4.39Å; F606-F684 AromaticContact CE1-CD2 3.76Å; F606-F684 HydrophobicContact CE1-CD2 3.76Å; F606-F684 HydrophobicContact CG-CD2 4.24Å; F606-F684 HydrophobicContact CZ-CB 4.36Å; F606-F684 HydrophobicContact CZ-CD2 4.32Å; F606-L687 HydrophobicContact CD2-CD1 4.08Å; F606-L687 HydrophobicContact CE2-CD1 3.95Å; F606-F688 HydrophobicContact CB-CE2 3.78Å; F606-F688 HydrophobicContact CB-CZ 4.37Å; F606-F688 HydrophobicContact CG-CE2 4.41Å
607L88.9Confident85.9Confident100 Ų10050.1 Ų50.152%0.52424%0.244SC..EExtended strand (participates in β ladder)trans-108.6124.3-176.6-175.470.2000110.8K587 L588K587-L607 HydrophobicContact CB-CD1 4.21Å; L588-L607 WeakPolarHBondContact O-CA 3.28Å
608L91Very high86.7Confident4 Ų441.9 Ų41.92%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-115135.4171.6175.656.7000109.6K587 L588 F590 F606 W616 L679 V682K587-L608 CarbonylContact C-O 3.59Å; K587-L608 WeakPolarHBondContact CA-O 3.46Å; L588-L608 HydrophobicContact CB-CB 4.31Å; L588-L608 HydrophobicContact CD1-CD2 4.28Å; L588-L608 HydrophobicContact CD1-CG 4.48Å; L588-L608 PolarHBondContact N-O 3.1Å; L588-L608 PolarHBondContact O-N 3.17Å; F590-L608 HydrophobicContact CE2-CB 3.97Å; F590-L608 HydrophobicContact CE2-CD2 4.23Å; F606-L608 HydrophobicContact CE1-CB 4.28Å; L608-W616 HydrophobicContact CD2-CZ2 4.2Å; L608-L679 HydrophobicContact CD2-CD2 3.88Å; L608-V682 HydrophobicContact CD1-CB 4.37Å; L608-V682 HydrophobicContact CD1-CG1 3.73Å; L608-V682 HydrophobicContact CD1-CG2 3.93Å
609T89.8Confident87.5Confident66 Ų6637.6 Ų37.641%0.40520%0.196SC..EExtended strand (participates in β ladder)trans-102.8125.6165.2-54.30000108.6V585 A586 K587 Q678V585-T609 HydrophobicContact CB-CG2 3.97Å; V585-T609 HydrophobicContact CG2-CG2 4.05Å; A586-T609 CarbonylContact O-C 3.57Å; A586-T609 WeakPolarHBondContact O-CA 3.4Å; K587-T609 HydrophobicContact CG-CG2 4.41Å; T609-Q678 PolarHBondContact O-NE2 2.98Å
610S89.5Confident87.9Confident1 Ų138.6 Ų38.61%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-123.9139-178.5-172.20000112.2A586 Q612 W616 Q678A586-S610 PolarHBondContact N-O 3.3Å; A586-S610 PolarHBondContact O-N 3.44Å; S610-Q612 PolarHBondContact O-N 3.34Å; S610-Q612 PolarHBondContact OG-N 3.47Å; S610-W616 PolarHBondContact OG-NE1 3.18Å; S610-W616 VanDerWaalsContact OG-NE1 3.1Å; S610-Q678 PolarHBondContact OG-OE1 2.91Å
611Q88.6Confident88.5Confident114 Ų11438.6 Ų38.653%0.53320%0.2SC..SBendtrans-83.23.7177.9-62.9-70.6-17.400112.7P613Q611-P613 WeakPolarHBondContact O-CD 3.19Å
612Q88.4Confident88.9Confident68 Ų6837.7 Ų37.732%0.31820%0.197SC..  trans-119.858.5-178.1-63.6-171.8-47.300112.5S610 H614 L615 W616S610-Q612 PolarHBondContact O-N 3.34Å; S610-Q612 PolarHBondContact OG-N 3.47Å; Q612-H614 VanDerWaalsContact C-N 3.32Å; Q612-H614 PolarHBondContact O-N 2.81Å; Q612-L615 HydrophobicContact CB-CB 4.27Å; Q612-L615 PolarHBondContact O-N 3.25Å; Q612-W616 PolarHBondContact O-N 3.3Å
613P89.3Confident89.4Confident5 Ų538.5 Ų38.53%0.03220%0.196CC..Hα-helixtrans-60.6-38.7-171.927.7-37.8000113.1I576 A586 Q611 L615 W616 I617 T649I576-P613 HydrophobicContact CD1-CB 3.64Å; A586-P613 HydrophobicContact CB-CB 3.85Å; Q611-P613 WeakPolarHBondContact O-CD 3.19Å; P613-L615 VanDerWaalsContact C-N 3.3Å; P613-L615 PolarHBondContact O-N 2.84Å; P613-W616 PolarHBondContact O-N 2.95Å; P613-I617 VanDerWaalsContact O-CG1 3.3Å; P613-I617 WeakPolarHBondContact O-CG1 3.28Å; P613-I617 PolarHBondContact O-N 3.05Å; P613-T649 HydrophobicContact CB-CG2 3.72Å; P613-T649 HydrophobicContact CG-CG2 3.72Å
614H89.3Confident90Very high69 Ų6934.4 Ų34.432%0.31918%0.18SC..Hα-helixtrans-56.1-40.5178-58.5110.9000113.2Q612 H618 W646 T649 Q650Q612-H614 VanDerWaalsContact C-N 3.32Å; Q612-H614 PolarHBondContact O-N 2.81Å; H614-H618 PolarHBondContact O-N 2.86Å; H614-H618 VanDerWaalsContact O-N 3.11Å; H614-W646 HydrophobicContact CB-CE3 4.38Å; H614-W646 HydrophobicContact CB-CH2 3.86Å; H614-W646 HydrophobicContact CB-CZ3 3.54Å; H614-W646 AromaticContact CD2-CE3 3.77Å; H614-W646 AromaticContact CD2-CH2 3.5Å; H614-W646 AromaticContact CD2-CZ2 3.8Å; H614-W646 AromaticContact CD2-CZ3 3.5Å; H614-W646 VanDerWaalsContact CD2-CZ3 3.5Å; H614-W646 WeakPolarHBondContact CD2-CZ3 3.23Å; H614-W646 AromaticContact CG-CH2 3.97Å; H614-W646 AromaticContact CG-CZ3 3.91Å; H614-T649 PolarHBondContact CD2-OG1 3.21Å; H614-T649 VanDerWaalsContact CD2-OG1 3.24Å; H614-T649 PolarHBondContact NE2-OG1 3.2Å; H614-Q650 PolarHBondContact NE2-NE2 3.38Å
615L91.2Very high90.3Very high22 Ų2232.7 Ų32.712%0.11517%0.168CC..Hα-helixtrans-72.1-42.1-177.9-18061.3000111.4Q612 P613 H618 I619 P667 D671 L675Q612-L615 HydrophobicContact CB-CB 4.27Å; Q612-L615 PolarHBondContact O-N 3.25Å; P613-L615 VanDerWaalsContact C-N 3.3Å; P613-L615 PolarHBondContact O-N 2.84Å; L615-H618 PolarHBondContact O-N 2.89Å; L615-I619 HydrophobicContact CD1-CD1 4.4Å; L615-I619 HydrophobicContact CG-CD1 4.19Å; L615-I619 WeakPolarHBondContact O-CG1 3.42Å; L615-I619 PolarHBondContact O-N 3Å; L615-P667 HydrophobicContact CD1-CB 3.76Å; L615-P667 HydrophobicContact CD1-CG 4.02Å; L615-D671 HydrophobicContact CD1-CB 4.18Å; L615-D671 HydrophobicContact CD2-CB 3.81Å; L615-L675 HydrophobicContact CD2-CD1 3.54Å; L615-L675 HydrophobicContact CD2-CD2 4.1Å; L615-L675 HydrophobicContact CD2-CG 3.62Å; L615-L675 HydrophobicContact CG-CD1 3.84Å; L615-L675 HydrophobicContact CG-CG 4.45Å
616W92.9Very high90.4Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-63.8-40.7174.3-74.2106.3000112.4I568 P571 L588 F590 L608 S610 Q612 P613 H618 I619 M620 L675 L679I568-W616 HydrophobicContact CG2-CH2 4Å; I568-W616 HydrophobicContact CG2-CZ3 4.01Å; P571-W616 HydrophobicContact CG-CE3 4.14Å; P571-W616 HydrophobicContact CG-CZ3 4.46Å; L588-W616 HydrophobicContact CD1-CB 4.47Å; L588-W616 HydrophobicContact CD1-CD2 3.44Å; L588-W616 VanDerWaalsContact CD1-CD2 3.44Å; L588-W616 HydrophobicContact CD1-CE3 4.02Å; L588-W616 HydrophobicContact CD1-CG 3.65Å; L588-W616 HydrophobicContact CD1-CH2 4.42Å; L588-W616 HydrophobicContact CD1-CZ2 3.9Å; L588-W616 HydrophobicContact CD1-CZ3 4.48Å; L588-W616 HydrophobicContact CD2-CB 4.35Å; L588-W616 HydrophobicContact CD2-CG 4.36Å; F590-W616 HydrophobicContact CZ-CH2 4.13Å; F590-W616 HydrophobicContact CZ-CZ3 4.23Å; L608-W616 HydrophobicContact CD2-CZ2 4.2Å; S610-W616 PolarHBondContact OG-NE1 3.18Å; S610-W616 VanDerWaalsContact OG-NE1 3.1Å; Q612-W616 PolarHBondContact O-N 3.3Å; P613-W616 PolarHBondContact O-N 2.95Å; W616-H618 VanDerWaalsContact C-N 3.32Å; W616-H618 PolarHBondContact O-N 3.15Å; W616-I619 PolarHBondContact O-N 2.86Å; W616-M620 VanDerWaalsContact O-CG 3.27Å; W616-M620 WeakPolarHBondContact O-CG 3.46Å; W616-M620 PolarHBondContact O-N 2.93Å; W616-L675 HydrophobicContact CD2-CD1 4.18Å; W616-L675 HydrophobicContact CH2-CD1 4.27Å; W616-L675 HydrophobicContact CZ2-CB 4.43Å; W616-L675 HydrophobicContact CZ2-CD1 3.86Å; W616-L675 HydrophobicContact CZ2-CD2 3.8Å; W616-L675 HydrophobicContact CZ2-CG 4.25Å; W616-L679 HydrophobicContact CH2-CD1 4.36Å
617I91.9Very high90.3Very high0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-60.8-41.8174.5-68.1164.6000110.9P613 M620 L621 L642 L645 W646 F657 M661P613-I617 VanDerWaalsContact O-CG1 3.3Å; P613-I617 WeakPolarHBondContact O-CG1 3.28Å; P613-I617 PolarHBondContact O-N 3.05Å; I617-M620 PolarHBondContact O-N 3.15Å; I617-L621 PolarHBondContact O-N 3.34Å; I617-L642 HydrophobicContact CG2-CB 4.15Å; I617-L642 HydrophobicContact CG2-CD2 4.42Å; I617-L645 HydrophobicContact CD1-CB 3.94Å; I617-L645 HydrophobicContact CG1-CB 4.36Å; I617-W646 HydrophobicContact CB-CE3 4.45Å; I617-W646 HydrophobicContact CD1-CB 4.38Å; I617-W646 HydrophobicContact CD1-CE3 4.45Å; I617-W646 HydrophobicContact CG2-CE3 4.14Å; I617-F657 HydrophobicContact CG2-CD2 4.48Å; I617-F657 HydrophobicContact CG2-CE2 3.91Å; I617-M661 HydrophobicContact CG2-CE 3.97Å
618H91.1Very high90.2Very high23 Ų2334.7 Ų34.711%0.10618%0.175CC..Hα-helixtrans-64.4-45.9175.6-168.1-178000111.7H614 L615 W616 M620 L621 L622 M661 Q664H614-H618 PolarHBondContact O-N 2.86Å; H614-H618 VanDerWaalsContact O-N 3.11Å; L615-H618 PolarHBondContact O-N 2.89Å; W616-H618 VanDerWaalsContact C-N 3.32Å; W616-H618 PolarHBondContact O-N 3.15Å; H618-M620 VanDerWaalsContact C-N 3.32Å; H618-M620 PolarHBondContact O-N 2.9Å; H618-L621 WeakPolarHBondContact O-CB 3.35Å; H618-L621 PolarHBondContact O-N 2.99Å; H618-L621 VanDerWaalsContact O-N 3.15Å; H618-L622 WeakPolarHBondContact O-CG 3.47Å; H618-L622 PolarHBondContact O-N 2.83Å; H618-M661 HydrophobicContact CB-CE 3.96Å; H618-M661 HydrophobicContact CB-SD 3.83Å; H618-Q664 PolarHBondContact CE1-O 3.33Å
619I92.4Very high89.6Confident0 Ų040.6 Ų40.60%022%0.216CC..Hα-helixtrans-58.3-42.4175.9-73.8169.6000111.6M564 V570 L615 W616 H623 P667 L672 L675M564-I619 HydrophobicContact CE-CG2 3.85Å; M564-I619 HydrophobicContact SD-CB 4.45Å; M564-I619 HydrophobicContact SD-CG1 3.99Å; M564-I619 HydrophobicContact SD-CG2 3.94Å; V570-I619 HydrophobicContact CG2-CG2 4.19Å; L615-I619 HydrophobicContact CD1-CD1 4.4Å; L615-I619 HydrophobicContact CG-CD1 4.19Å; L615-I619 WeakPolarHBondContact O-CG1 3.42Å; L615-I619 PolarHBondContact O-N 3Å; W616-I619 PolarHBondContact O-N 2.86Å; I619-H623 WeakPolarHBondContact O-CB 3.48Å; I619-H623 PolarHBondContact O-N 2.99Å; I619-P667 HydrophobicContact CG1-CG 4.47Å; I619-L672 HydrophobicContact CD1-CD2 4Å; I619-L675 HydrophobicContact CD1-CD1 3.46Å; I619-L675 VanDerWaalsContact CD1-CD1 3.46Å
620M92.1Very high89.3Confident24 Ų2440.2 Ų40.212%0.11822%0.22CC..Hα-helixtrans-64.3-40.3176.1-69.4174.382.800112V570 P571 C574 W616 I617 H618 H623 L624 L642V570-M620 HydrophobicContact CG1-CG 4.24Å; P571-M620 HydrophobicContact CG-CG 4.17Å; P571-M620 HydrophobicContact CG-SD 4.01Å; C574-M620 HydrophobicContact CB-CE 3.95Å; C574-M620 HydrophobicContact CB-SD 3.65Å; W616-M620 VanDerWaalsContact O-CG 3.27Å; W616-M620 WeakPolarHBondContact O-CG 3.46Å; W616-M620 PolarHBondContact O-N 2.93Å; I617-M620 PolarHBondContact O-N 3.15Å; H618-M620 VanDerWaalsContact C-N 3.32Å; H618-M620 PolarHBondContact O-N 2.9Å; M620-H623 PolarHBondContact O-N 3.41Å; M620-L624 VanDerWaalsContact O-CG 3.3Å; M620-L624 WeakPolarHBondContact O-CG 3.3Å; M620-L624 PolarHBondContact O-N 3.43Å; M620-L642 HydrophobicContact CB-CD1 4.06Å; M620-L642 HydrophobicContact CB-CD2 3.91Å; M620-L642 HydrophobicContact CE-CD2 4.24Å; M620-L642 HydrophobicContact SD-CD2 4.15Å
621L92.3Very high89.1Confident1 Ų141.2 Ų41.21%0.00523%0.226CC..Hα-helixtrans-63-48.6176.5179.665000111.9L546 I617 H618 H623 L624 Q625 V639 L642 F657 M661L546-L621 HydrophobicContact CD1-CD2 4.21Å; I617-L621 PolarHBondContact O-N 3.34Å; H618-L621 WeakPolarHBondContact O-CB 3.35Å; H618-L621 PolarHBondContact O-N 2.99Å; H618-L621 VanDerWaalsContact O-N 3.15Å; L621-H623 VanDerWaalsContact C-N 3.3Å; L621-H623 PolarHBondContact O-N 3.37Å; L621-L624 PolarHBondContact O-N 3.49Å; L621-Q625 PolarHBondContact O-N 3.1Å; L621-V639 HydrophobicContact CD1-CG1 4.42Å; L621-V639 HydrophobicContact CD1-CG2 4.06Å; L621-L642 HydrophobicContact CB-CD1 3.78Å; L621-L642 HydrophobicContact CD1-CD1 4.28Å; L621-F657 HydrophobicContact CD1-CZ 4.43Å; L621-F657 HydrophobicContact CD2-CZ 4Å; L621-M661 HydrophobicContact CD2-CB 3.86Å; L621-M661 HydrophobicContact CD2-CG 3.7Å; L621-M661 HydrophobicContact CD2-SD 3.69Å
622L91.6Very high89.1Confident2 Ų236.4 Ų36.41%0.0120%0.204CC..Hα-helixtrans-63.6-38178.4-63.3-176.9000111.4L550 I557 F560 C561 H618 Q625 S626 P667L550-L622 HydrophobicContact CD2-CD2 4.47Å; I557-L622 HydrophobicContact CD1-CD2 3.9Å; I557-L622 HydrophobicContact CG1-CD2 3.96Å; I557-L622 HydrophobicContact CG2-CB 4.2Å; I557-L622 HydrophobicContact CG2-CD2 3.93Å; F560-L622 HydrophobicContact CD1-CD1 4.07Å; F560-L622 HydrophobicContact CE1-CD1 3.84Å; C561-L622 PolarHBondContact SG-O 3.39Å; H618-L622 WeakPolarHBondContact O-CG 3.47Å; H618-L622 PolarHBondContact O-N 2.83Å; L622-Q625 PolarHBondContact O-N 3.3Å; L622-S626 WeakPolarHBondContact O-CB 3.37Å; L622-S626 PolarHBondContact O-N 3.06Å; L622-P667 HydrophobicContact CD1-CG 4.46Å
623H90.4Very high89Confident47 Ų4734.6 Ų34.622%0.21820%0.198CC..Hα-helixtrans-62.8-45.1174.6-171.168.1000112.3V570 I619 M620 L621 S626 K627V570-H623 HydrophobicContact CG1-CB 3.95Å; V570-H623 HydrophobicContact CG2-CB 4.06Å; I619-H623 WeakPolarHBondContact O-CB 3.48Å; I619-H623 PolarHBondContact O-N 2.99Å; M620-H623 PolarHBondContact O-N 3.41Å; L621-H623 VanDerWaalsContact C-N 3.3Å; L621-H623 PolarHBondContact O-N 3.37Å; H623-S626 PolarHBondContact O-N 3.48Å; H623-S626 PolarHBondContact O-OG 2.85Å; H623-K627 WeakPolarHBondContact NE2-CE 3.5Å; H623-K627 PolarHBondContact O-N 2.95Å; H623-K627 VanDerWaalsContact O-N 3.15Å
624L90.4Very high88.7Confident61 Ų6136.3 Ų36.332%0.31921%0.21SC..Hα-helixtrans-59.7-45.4174.4-72.3165.7000111.4M620 L621 S626 K627 S628 L632 L642M620-L624 VanDerWaalsContact O-CG 3.3Å; M620-L624 WeakPolarHBondContact O-CG 3.3Å; M620-L624 PolarHBondContact O-N 3.43Å; L621-L624 PolarHBondContact O-N 3.49Å; L624-S626 VanDerWaalsContact C-N 3.33Å; L624-S626 PolarHBondContact O-N 3.05Å; L624-K627 PolarHBondContact O-N 3.29Å; L624-S628 WeakPolarHBondContact O-CB 3.31Å; L624-S628 PolarHBondContact O-N 3.1Å; L624-L632 HydrophobicContact CB-CD1 3.76Å; L624-L642 HydrophobicContact CD1-CD1 3.74Å; L624-L642 HydrophobicContact CD1-CG 4.47Å
625Q89.8Confident88.3Confident2 Ų242.9 Ų42.91%0.00923%0.232CC..Hα-helixtrans-64.7-35.9176.9-176.556.98300112.3L550 I557 L621 L622 K627 S628 A630 L632L550-Q625 HydrophobicContact CB-CG 4.36Å; L550-Q625 HydrophobicContact CD2-CG 4.35Å; I557-Q625 HydrophobicContact CG2-CB 4.43Å; I557-Q625 HydrophobicContact CG2-CG 4.4Å; L621-Q625 PolarHBondContact O-N 3.1Å; L622-Q625 PolarHBondContact O-N 3.3Å; Q625-K627 VanDerWaalsContact C-N 3.28Å; Q625-K627 PolarHBondContact O-N 3.08Å; Q625-S628 PolarHBondContact O-N 3.24Å; Q625-A630 PolarHBondContact NE2-O 3.47Å; Q625-L632 HydrophobicContact CB-CD1 4.16Å
626S89.8Confident88Confident32 Ų3244.6 Ų44.622%0.22424%0.242CC..Hα-helixtrans-67.5-26.7177.577.60000113.6L622 H623 L624L622-S626 WeakPolarHBondContact O-CB 3.37Å; L622-S626 PolarHBondContact O-N 3.06Å; H623-S626 PolarHBondContact O-N 3.48Å; H623-S626 PolarHBondContact O-OG 2.85Å; L624-S626 VanDerWaalsContact C-N 3.33Å; L624-S626 PolarHBondContact O-N 3.05Å
627K86.1Confident87.8Confident154 Ų15452.2 Ų52.267%0.6728%0.275SS*.Hα-helixtrans-91.5-22.9177.5-78.8179.4164.9171.50113.6H623 L624 Q625H623-K627 WeakPolarHBondContact NE2-CE 3.5Å; H623-K627 PolarHBondContact O-N 2.95Å; H623-K627 VanDerWaalsContact O-N 3.15Å; L624-K627 PolarHBondContact O-N 3.29Å; Q625-K627 VanDerWaalsContact C-N 3.28Å; Q625-K627 PolarHBondContact O-N 3.08Å
628S86.4Confident87.5Confident34 Ų3454.1 Ų54.124%0.23829%0.288CS..  trans-75.9137.5177.9-174.30000111.8L624 Q625 A630L624-S628 WeakPolarHBondContact O-CB 3.31Å; L624-S628 PolarHBondContact O-N 3.1Å; Q625-S628 PolarHBondContact O-N 3.24Å; S628-A630 VanDerWaalsContact CB-O 3.28Å; S628-A630 WeakPolarHBondContact CB-O 3.14Å; S628-A630 PolarHBondContact OG-N 2.83Å; S628-A630 PolarHBondContact OG-O 3.09Å
629S78Confident87.4Confident128 Ų12853.1 Ų53.190%0.89528%0.283SS*.SBendtrans-78.3-21.217052.50000112.9
630A83.8Confident87.3Confident58 Ų5857.8 Ų57.848%0.47931%0.305SS..SBendtrans-106156.2174.200000111.2Q625 S628 L632Q625-A630 PolarHBondContact NE2-O 3.47Å; S628-A630 VanDerWaalsContact CB-O 3.28Å; S628-A630 WeakPolarHBondContact CB-O 3.14Å; S628-A630 PolarHBondContact OG-N 2.83Å; S628-A630 PolarHBondContact OG-O 3.09Å; A630-L632 PolarHBondContact O-N 3.29Å
631T86.2Confident87.1Confident22 Ų2265.2 Ų65.214%0.13533%0.332CS..  trans-68.5129.9168-48.40000110.1F547 L550 R551 M554F547-T631 HydrophobicContact CD2-CG2 3.8Å; F547-T631 HydrophobicContact CE2-CG2 4.09Å; F547-T631 HydrophobicContact CG-CG2 4.3Å; F547-T631 WeakPolarHBondContact O-CG2 3.36Å; L550-T631 HydrophobicContact CB-CG2 3.7Å; R551-T631 HydrophobicContact CB-CG2 3.88Å; R551-T631 VanDerWaalsContact N-CG2 3.3Å; M554-T631 WeakPolarHBondContact CE-OG1 3.5Å
632L87.3Confident87Confident13 Ų1365.5 Ų65.57%0.06833%0.334CS..  trans-74150.2175.9-61.8175.8000111.4F547 L550 L624 Q625 A630 D636 V639F547-L632 WeakPolarHBondContact CA-O 3.49Å; L550-L632 HydrophobicContact CD1-CB 4.14Å; L624-L632 HydrophobicContact CB-CD1 3.76Å; Q625-L632 HydrophobicContact CB-CD1 4.16Å; A630-L632 PolarHBondContact O-N 3.29Å; L632-D636 WeakPolarHBondContact CA-OD2 3.37Å; L632-D636 HydrophobicContact CD2-CB 4.5Å; L632-V639 HydrophobicContact CB-CG2 3.98Å; L632-V639 HydrophobicContact CD1-CG2 4.22Å
633C86.6Confident86.9Confident30 Ų3066.6 Ų66.620%0.20334%0.343CS..  trans-127.8165.3176.870.20000111.7D544 F547 R635 D636 V639D544-C633 VanDerWaalsContact OD2-CA 3.27Å; D544-C633 WeakPolarHBondContact OD2-CA 3.43Å; D544-C633 WeakPolarHBondContact OD2-CB 3.29Å; F547-C633 HydrophobicContact CB-CB 4.07Å; F547-C633 HydrophobicContact CD2-CB 4.04Å; F547-C633 HydrophobicContact CG-CB 4.46Å; C633-R635 PolarHBondContact O-N 3.12Å; C633-D636 PolarHBondContact N-OD2 3.15Å; C633-D636 PolarHBondContact O-N 3.3Å; C633-D636 PolarHBondContact SG-OD2 3.38Å; C633-V639 WeakPolarHBondContact O-CB 3.44Å
634S83.4Confident86.7Confident41 Ų4167.2 Ų67.229%0.28735%0.352SS..THydrogen-bonded Turntrans-62.5-4.6176.9-59.20000114.3D544 S658D544-S634 PolarHBondContact OD1-OG 3.17Å; D544-S634 PolarHBondContact OD2-N 3.36Å; D544-S634 PolarHBondContact OD2-OG 2.94Å; S634-S658 PolarHBondContact OG-OG 3.44Å
635R80.1Confident86.6Confident206 Ų20665.4 Ų65.478%0.77734%0.343SS*.THydrogen-bonded Turntrans-100.8-3.4174.6-57.7-179.2178.9-177.6-1.4113.7C633C633-R635 PolarHBondContact O-N 3.12Å
636D86.8Confident86.6Confident58 Ų5866.4 Ų66.431%0.3135%0.346SS..SBendtrans-77.2129.8178.3-76.1-57.9000110.7L632 C633 S638 V639 E640L632-D636 WeakPolarHBondContact CA-OD2 3.37Å; L632-D636 HydrophobicContact CD2-CB 4.5Å; C633-D636 PolarHBondContact N-OD2 3.15Å; C633-D636 PolarHBondContact O-N 3.3Å; C633-D636 PolarHBondContact SG-OD2 3.38Å; D636-S638 PolarHBondContact O-N 3.42Å; D636-V639 HydrophobicContact CB-CB 4.3Å; D636-V639 HydrophobicContact CB-CG2 3.98Å; D636-V639 CarbonylContact O-C 3.53Å; D636-V639 WeakPolarHBondContact O-CA 3.37Å; D636-V639 WeakPolarHBondContact O-CB 3.4Å; D636-V639 PolarHBondContact O-N 3.04Å; D636-E640 PolarHBondContact O-N 3.43Å
637K87.5Confident86.4Confident161 Ų16169.6 Ų69.670%0.736%0.358SS*.Hα-helixtrans-56.9-20.8-176.2-64.4-178.2-179.9178.70114.8E640 R641K637-E640 WeakPolarHBondContact CA-OE2 3.2Å; K637-R641 VanDerWaalsContact O-CD 3.28Å; K637-R641 WeakPolarHBondContact O-CD 3.21Å; K637-R641 WeakPolarHBondContact O-CG 3.28Å; K637-R641 PolarHBondContact O-N 3.4Å
638S86.3Confident86.4Confident40 Ų4068.4 Ų68.428%0.2835%0.353SS..Hα-helixtrans-77.7-39.6172.250.70000112.2D636 L642D636-S638 PolarHBondContact O-N 3.42Å; S638-L642 PolarHBondContact O-N 3.38Å
639V89.6Confident86.1Confident1 Ų167.4 Ų67.41%0.00635%0.345CS..Hα-helixtrans-73.2-42.2176-1770000110.7L546 L621 L632 C633 D636 R641 L642 A643 F657L546-V639 HydrophobicContact CD2-CG1 3.74Å; L621-V639 HydrophobicContact CD1-CG1 4.42Å; L621-V639 HydrophobicContact CD1-CG2 4.06Å; L632-V639 HydrophobicContact CB-CG2 3.98Å; L632-V639 HydrophobicContact CD1-CG2 4.22Å; C633-V639 WeakPolarHBondContact O-CB 3.44Å; D636-V639 HydrophobicContact CB-CB 4.3Å; D636-V639 HydrophobicContact CB-CG2 3.98Å; D636-V639 CarbonylContact O-C 3.53Å; D636-V639 WeakPolarHBondContact O-CA 3.37Å; D636-V639 WeakPolarHBondContact O-CB 3.4Å; D636-V639 PolarHBondContact O-N 3.04Å; V639-R641 VanDerWaalsContact C-N 3.26Å; V639-R641 PolarHBondContact O-N 3Å; V639-L642 PolarHBondContact O-N 2.97Å; V639-L642 VanDerWaalsContact O-N 3.09Å; V639-A643 PolarHBondContact O-N 2.86Å; V639-F657 HydrophobicContact CG1-CE1 3.62Å; V639-F657 HydrophobicContact CG1-CZ 4.09Å
640E88.3Confident85.9Confident99 Ų9963.5 Ų63.546%0.46331%0.313SS..Hα-helixtrans-55.2-40.6172.9-68.2179.8148.500111.8D636 K637 A643 S644D636-E640 PolarHBondContact O-N 3.43Å; K637-E640 WeakPolarHBondContact CA-OE2 3.2Å; E640-A643 PolarHBondContact O-N 2.98Å; E640-S644 WeakPolarHBondContact O-CB 3.33Å; E640-S644 PolarHBondContact O-N 3.14Å
641R89.2Confident84.7Confident180 Ų18067.9 Ų67.968%0.67933%0.328SS*.Hα-helixtrans-62.8-47.7174.4-75.7167.7-174.5-167.80.4111.6K637 V639 S644 L645K637-R641 VanDerWaalsContact O-CD 3.28Å; K637-R641 WeakPolarHBondContact O-CD 3.21Å; K637-R641 WeakPolarHBondContact O-CG 3.28Å; K637-R641 PolarHBondContact O-N 3.4Å; V639-R641 VanDerWaalsContact C-N 3.26Å; V639-R641 PolarHBondContact O-N 3Å; R641-S644 PolarHBondContact O-N 3.49Å; R641-S644 VanDerWaalsContact O-N 3.17Å; R641-S644 PolarHBondContact O-OG 3.36Å; R641-L645 WeakPolarHBondContact O-CG 3.39Å; R641-L645 PolarHBondContact O-N 3.04Å
642L90.1Very high82.9Confident7 Ų777.8 Ų77.84%0.03737%0.368CS..Hα-helixtrans-64.1-39177.9-70.1-175.4000112.3I617 M620 L621 L624 S638 V639 L645 W646 F657I617-L642 HydrophobicContact CG2-CB 4.15Å; I617-L642 HydrophobicContact CG2-CD2 4.42Å; M620-L642 HydrophobicContact CB-CD1 4.06Å; M620-L642 HydrophobicContact CB-CD2 3.91Å; M620-L642 HydrophobicContact CE-CD2 4.24Å; M620-L642 HydrophobicContact SD-CD2 4.15Å; L621-L642 HydrophobicContact CB-CD1 3.78Å; L621-L642 HydrophobicContact CD1-CD1 4.28Å; L624-L642 HydrophobicContact CD1-CD1 3.74Å; L624-L642 HydrophobicContact CD1-CG 4.47Å; S638-L642 PolarHBondContact O-N 3.38Å; V639-L642 PolarHBondContact O-N 2.97Å; V639-L642 VanDerWaalsContact O-N 3.09Å; L642-L645 HydrophobicContact CD2-CD1 4.36Å; L642-L645 PolarHBondContact O-N 3.26Å; L642-W646 PolarHBondContact O-N 3.22Å; L642-F657 HydrophobicContact CB-CE2 4.08Å; L642-F657 HydrophobicContact CB-CZ 4.09Å
643A88.4Confident81.2Confident24 Ų2481.1 Ų81.120%0.19841%0.406CS..Hα-helixtrans-60.9-43.417100000111.3V639 E640 L645 W646 E647 F657V639-A643 PolarHBondContact O-N 2.86Å; E640-A643 PolarHBondContact O-N 2.98Å; A643-L645 PolarHBondContact O-N 2.91Å; A643-W646 WeakPolarHBondContact O-CB 3.29Å; A643-W646 PolarHBondContact O-N 3.19Å; A643-E647 WeakPolarHBondContact O-CG 3.33Å; A643-E647 PolarHBondContact O-N 2.76Å; A643-F657 HydrophobicContact CB-CB 4.16Å; A643-F657 HydrophobicContact CB-CD1 3.76Å; A643-F657 HydrophobicContact CB-CD2 4.34Å; A643-F657 HydrophobicContact CB-CE1 4.18Å; A643-F657 HydrophobicContact CB-CG 3.84Å
644S87.8Confident80.2Confident60 Ų6082.8 Ų82.842%0.4242%0.418SS..Hα-helixtrans-65.2-23.4176.782.60000114.2E640 R641 K648E640-S644 WeakPolarHBondContact O-CB 3.33Å; E640-S644 PolarHBondContact O-N 3.14Å; R641-S644 PolarHBondContact O-N 3.49Å; R641-S644 VanDerWaalsContact O-N 3.17Å; R641-S644 PolarHBondContact O-OG 3.36Å; S644-K648 WeakPolarHBondContact O-CD 3.1Å; S644-K648 VanDerWaalsContact O-CG 3.29Å; S644-K648 WeakPolarHBondContact O-CG 3.49Å
645L88.4Confident79.9Confident23 Ų2386.1 Ų86.112%0.1243%0.429CS..Hα-helixtrans-80.7-38.3170.1-64.5173.4000111C574 I576 I617 R641 L642 A643 K648C574-L645 HydrophobicContact CB-CD1 4.12Å; I576-L645 HydrophobicContact CG1-CB 4.11Å; I576-L645 HydrophobicContact CG1-CD2 4.11Å; I617-L645 HydrophobicContact CD1-CB 3.94Å; I617-L645 HydrophobicContact CG1-CB 4.36Å; R641-L645 WeakPolarHBondContact O-CG 3.39Å; R641-L645 PolarHBondContact O-N 3.04Å; L642-L645 HydrophobicContact CD2-CD1 4.36Å; L642-L645 PolarHBondContact O-N 3.26Å; A643-L645 PolarHBondContact O-N 2.91Å; L645-K648 WeakPolarHBondContact O-CB 3.46Å; L645-K648 PolarHBondContact O-N 3.39Å
646W88.4Confident80Confident23 Ų2379.4 Ų79.49%0.08741%0.414CS..Hα-helixtrans-63.8-45.6176.4-177.2-84.6000112.8H614 I617 L642 A643 K648 T649 Q650 H655 F657 A660 M661H614-W646 HydrophobicContact CB-CE3 4.38Å; H614-W646 HydrophobicContact CB-CH2 3.86Å; H614-W646 HydrophobicContact CB-CZ3 3.54Å; H614-W646 AromaticContact CD2-CE3 3.77Å; H614-W646 AromaticContact CD2-CH2 3.5Å; H614-W646 AromaticContact CD2-CZ2 3.8Å; H614-W646 AromaticContact CD2-CZ3 3.5Å; H614-W646 VanDerWaalsContact CD2-CZ3 3.5Å; H614-W646 WeakPolarHBondContact CD2-CZ3 3.23Å; H614-W646 AromaticContact CG-CH2 3.97Å; H614-W646 AromaticContact CG-CZ3 3.91Å; I617-W646 HydrophobicContact CB-CE3 4.45Å; I617-W646 HydrophobicContact CD1-CB 4.38Å; I617-W646 HydrophobicContact CD1-CE3 4.45Å; I617-W646 HydrophobicContact CG2-CE3 4.14Å; L642-W646 PolarHBondContact O-N 3.22Å; A643-W646 WeakPolarHBondContact O-CB 3.29Å; A643-W646 PolarHBondContact O-N 3.19Å; W646-K648 PolarHBondContact O-N 3.15Å; W646-T649 PolarHBondContact O-N 3.04Å; W646-T649 PolarHBondContact O-OG1 2.96Å; W646-Q650 VanDerWaalsContact CE2-NE2 3.33Å; W646-Q650 VanDerWaalsContact NE1-NE2 3.15Å; W646-Q650 WeakPolarHBondContact O-CG 3.47Å; W646-Q650 PolarHBondContact O-NE2 2.97Å; W646-H655 PolarHBondContact NE1-O 2.92Å; W646-F657 HydrophobicContact CB-CB 4.17Å; W646-F657 HydrophobicContact CB-CD2 3.66Å; W646-F657 HydrophobicContact CB-CG 4.34Å; W646-F657 HydrophobicContact CD2-CD2 4.14Å; W646-F657 HydrophobicContact CE3-CD2 4.39Å; W646-F657 HydrophobicContact CG-CB 3.9Å; W646-F657 AromaticContact CG-CD2 3.82Å; W646-F657 HydrophobicContact CG-CD2 3.82Å; W646-F657 HydrophobicContact CG-CG 4.36Å; W646-A660 HydrophobicContact CH2-CB 3.48Å; W646-A660 VanDerWaalsContact CH2-CB 3.48Å; W646-A660 HydrophobicContact CZ2-CB 3.22Å; W646-A660 HydrophobicContact CZ3-CB 4.42Å; W646-M661 HydrophobicContact CD2-CE 4.31Å; W646-M661 HydrophobicContact CE3-CE 3.4Å; W646-M661 HydrophobicContact CH2-CE 4.15Å; W646-M661 HydrophobicContact CZ3-CE 3.28Å
647E86.9Confident79.9Confident99 Ų9976.9 Ų76.946%0.46340%0.4SS..G310 helixtrans-67.9-23.6179.7-59-53.1143.500111.9A643 T649 Q650 F657A643-E647 WeakPolarHBondContact O-CG 3.33Å; A643-E647 PolarHBondContact O-N 2.76Å; E647-T649 VanDerWaalsContact C-N 3.28Å; E647-T649 PolarHBondContact O-N 2.92Å; E647-Q650 PolarHBondContact O-N 3.16Å; E647-F657 PolarHBondContact OE1-N 3.22Å
648K84.6Confident79.7Confident130 Ų13071 Ų7157%0.56538%0.379SS*.G310 helixtrans-70.9-16.2170.6-74.5173.7-176.9-1790114.2I576 S644 L645 W646I576-K648 HydrophobicContact CB-CB 4.24Å; I576-K648 HydrophobicContact CG2-CB 4.16Å; S644-K648 WeakPolarHBondContact O-CD 3.1Å; S644-K648 VanDerWaalsContact O-CG 3.29Å; S644-K648 WeakPolarHBondContact O-CG 3.49Å; L645-K648 WeakPolarHBondContact O-CB 3.46Å; L645-K648 PolarHBondContact O-N 3.39Å; W646-K648 PolarHBondContact O-N 3.15Å
649T81.3Confident79.6Confident13 Ų1372.8 Ų72.88%0.0838%0.384CS..G310 helixtrans-94.2-2177.463.20000113.2I576 C584 P613 H614 W646 E647I576-T649 HydrophobicContact CB-CG2 4.46Å; I576-T649 HydrophobicContact CD1-CG2 3.91Å; I576-T649 HydrophobicContact CG1-CG2 3.9Å; I576-T649 HydrophobicContact CG2-CG2 3.72Å; C584-T649 HydrophobicContact CB-CG2 4.22Å; P613-T649 HydrophobicContact CB-CG2 3.72Å; P613-T649 HydrophobicContact CG-CG2 3.72Å; H614-T649 PolarHBondContact CD2-OG1 3.21Å; H614-T649 VanDerWaalsContact CD2-OG1 3.24Å; H614-T649 PolarHBondContact NE2-OG1 3.2Å; W646-T649 PolarHBondContact O-N 3.04Å; W646-T649 PolarHBondContact O-OG1 2.96Å; E647-T649 VanDerWaalsContact C-N 3.28Å; E647-T649 PolarHBondContact O-N 2.92Å
650Q72.5Confident79.3Confident46 Ų4673.6 Ų73.622%0.21539%0.391CS..  trans-93133.3-172.2-58.1-45.7-35.200114.5H614 W646 E647 S654H614-Q650 PolarHBondContact NE2-NE2 3.38Å; W646-Q650 VanDerWaalsContact CE2-NE2 3.33Å; W646-Q650 VanDerWaalsContact NE1-NE2 3.15Å; W646-Q650 WeakPolarHBondContact O-CG 3.47Å; W646-Q650 PolarHBondContact O-NE2 2.97Å; E647-Q650 PolarHBondContact O-N 3.16Å; Q650-S654 PolarHBondContact OE1-OG 2.76Å
651L59.8Low79.1Confident150 Ų15069 Ų6979%0.78537%0.37SS*.  trans-78.3154.6157.1-61.4174.2000109.2G653 S654L651-G653 PolarHBondContact O-N 2.83Å; L651-S654 PolarHBondContact O-N 3.27Å; L651-S654 PolarHBondContact O-OG 3.43Å
652K47.8Very low78.9Confident229 Ų22962 Ų62100%0.99635%0.347SS*.THydrogen-bonded Turntrans-59.3108.3-175.4-67.8-178.6179178.60111.7
653G51.9Low78.5Confident84 Ų8467 Ų6787%0.86637%0.37SS*.THydrogen-bonded Turntrans127.7-4.3172.800000116.4L651L651-G653 PolarHBondContact O-N 2.83Å
654S65.9Low78.1Confident64 Ų6470.1 Ų70.145%0.44838%0.38SS..PPolyproline II helixtrans-66.5168.6-179.4-65.80000115.7Q650 L651Q650-S654 PolarHBondContact OE1-OG 2.76Å; L651-S654 PolarHBondContact O-N 3.27Å; L651-S654 PolarHBondContact O-OG 3.43Å
655H76.1Confident77.6Confident111 Ų11168.8 Ų68.851%0.51437%0.371SS..PPolyproline II helixtrans-63.7135.2167.7-61.6-38.6000112.2W646 M659 Q663W646-H655 PolarHBondContact NE1-O 2.92Å; H655-M659 HydrophobicContact CB-CB 4.38Å; H655-M659 HydrophobicContact CB-CG 4.38Å; H655-Q663 PolarHBondContact CD2-NE2 3.32Å; H655-Q663 PolarHBondContact NE2-NE2 2.89Å
656S82.5Confident77.5Confident66 Ų6669.9 Ų69.946%0.46238%0.378SS..PPolyproline II helixtrans-64.8153.8171.657.60000112S658 M659 A660S656-S658 PolarHBondContact O-N 3.46Å; S656-M659 WeakPolarHBondContact O-CB 3.31Å; S656-M659 PolarHBondContact O-N 2.99Å; S656-A660 PolarHBondContact O-N 3.06Å; S656-A660 VanDerWaalsContact O-N 3.08Å
657F84.6Confident77.5Confident5 Ų569.2 Ų69.22%0.02238%0.377CS..Hα-helixtrans-43.4-55.3179.6174.2-101.7000113.8L546 I617 L621 V639 L642 A643 W646 E647 M659 A660 M661L546-F657 HydrophobicContact CD2-CD1 4.47Å; L546-F657 HydrophobicContact CD2-CE1 3.73Å; I617-F657 HydrophobicContact CG2-CD2 4.48Å; I617-F657 HydrophobicContact CG2-CE2 3.91Å; L621-F657 HydrophobicContact CD1-CZ 4.43Å; L621-F657 HydrophobicContact CD2-CZ 4Å; V639-F657 HydrophobicContact CG1-CE1 3.62Å; V639-F657 HydrophobicContact CG1-CZ 4.09Å; L642-F657 HydrophobicContact CB-CE2 4.08Å; L642-F657 HydrophobicContact CB-CZ 4.09Å; A643-F657 HydrophobicContact CB-CB 4.16Å; A643-F657 HydrophobicContact CB-CD1 3.76Å; A643-F657 HydrophobicContact CB-CD2 4.34Å; A643-F657 HydrophobicContact CB-CE1 4.18Å; A643-F657 HydrophobicContact CB-CG 3.84Å; W646-F657 HydrophobicContact CB-CB 4.17Å; W646-F657 HydrophobicContact CB-CD2 3.66Å; W646-F657 HydrophobicContact CB-CG 4.34Å; W646-F657 HydrophobicContact CD2-CD2 4.14Å; W646-F657 HydrophobicContact CE3-CD2 4.39Å; W646-F657 HydrophobicContact CG-CB 3.9Å; W646-F657 AromaticContact CG-CD2 3.82Å; W646-F657 HydrophobicContact CG-CD2 3.82Å; W646-F657 HydrophobicContact CG-CG 4.36Å; E647-F657 PolarHBondContact OE1-N 3.22Å; F657-M659 PolarHBondContact O-N 3.04Å; F657-A660 PolarHBondContact O-N 2.74Å; F657-M661 HydrophobicContact CD1-CG 4.5Å; F657-M661 HydrophobicContact CD2-CE 4.03Å; F657-M661 HydrophobicContact CD2-CG 3.88Å; F657-M661 HydrophobicContact CE1-CG 4.3Å; F657-M661 HydrophobicContact CE2-CE 3.85Å; F657-M661 HydrophobicContact CE2-CG 3.67Å; F657-M661 HydrophobicContact CE2-SD 4.23Å; F657-M661 HydrophobicContact CG-CG 4.32Å; F657-M661 HydrophobicContact CZ-CG 3.9Å; F657-M661 WeakPolarHBondContact O-CB 3.49Å; F657-M661 VanDerWaalsContact O-CG 3.28Å; F657-M661 WeakPolarHBondContact O-CG 3.38Å; F657-M661 PolarHBondContact O-N 2.61Å
658S83.6Confident77.5Confident36 Ų3669.3 Ų69.325%0.25238%0.377SS..Hα-helixtrans-67.9-19.6-177.2-44.20000113.8S634 S656 T662S634-S658 PolarHBondContact OG-OG 3.44Å; S656-S658 PolarHBondContact O-N 3.46Å; S658-T662 VanDerWaalsContact O-CG2 3.22Å; S658-T662 WeakPolarHBondContact O-CG2 3.44Å; S658-T662 PolarHBondContact O-OG1 3.03Å
659M83.3Confident77.6Confident78 Ų7868.1 Ų68.138%0.38437%0.37SS..Hα-helixtrans-77.9-47.2170.9-175.272.580.200110.4H655 S656 F657 T662 Q663H655-M659 HydrophobicContact CB-CB 4.38Å; H655-M659 HydrophobicContact CB-CG 4.38Å; S656-M659 WeakPolarHBondContact O-CB 3.31Å; S656-M659 PolarHBondContact O-N 2.99Å; F657-M659 PolarHBondContact O-N 3.04Å; M659-T662 PolarHBondContact O-N 3.15Å; M659-T662 PolarHBondContact O-OG1 3.1Å; M659-Q663 WeakPolarHBondContact O-CG 3.4Å; M659-Q663 PolarHBondContact O-N 2.98Å
660A83.6Confident77.9Confident18 Ų1875 Ų7515%0.14940%0.398CS..Hα-helixtrans-62.9-44.718000000112.2W646 S656 F657 T662 Q663W646-A660 HydrophobicContact CH2-CB 3.48Å; W646-A660 VanDerWaalsContact CH2-CB 3.48Å; W646-A660 HydrophobicContact CZ2-CB 3.22Å; W646-A660 HydrophobicContact CZ3-CB 4.42Å; S656-A660 PolarHBondContact O-N 3.06Å; S656-A660 VanDerWaalsContact O-N 3.08Å; F657-A660 PolarHBondContact O-N 2.74Å; A660-T662 PolarHBondContact O-N 2.91Å; A660-T662 VanDerWaalsContact O-N 3.12Å; A660-Q663 PolarHBondContact O-N 2.98Å
661M84.4Confident78.7Confident4 Ų475.2 Ų75.22%0.0240%0.401CS..Hα-helixtrans-721.6178.9-59.9-65.4151.700114.2L546 I617 H618 L621 W646 F657L546-M661 HydrophobicContact CD1-CB 3.73Å; I617-M661 HydrophobicContact CG2-CE 3.97Å; H618-M661 HydrophobicContact CB-CE 3.96Å; H618-M661 HydrophobicContact CB-SD 3.83Å; L621-M661 HydrophobicContact CD2-CB 3.86Å; L621-M661 HydrophobicContact CD2-CG 3.7Å; L621-M661 HydrophobicContact CD2-SD 3.69Å; W646-M661 HydrophobicContact CD2-CE 4.31Å; W646-M661 HydrophobicContact CE3-CE 3.4Å; W646-M661 HydrophobicContact CH2-CE 4.15Å; W646-M661 HydrophobicContact CZ3-CE 3.28Å; F657-M661 HydrophobicContact CD1-CG 4.5Å; F657-M661 HydrophobicContact CD2-CE 4.03Å; F657-M661 HydrophobicContact CD2-CG 3.88Å; F657-M661 HydrophobicContact CE1-CG 4.3Å; F657-M661 HydrophobicContact CE2-CE 3.85Å; F657-M661 HydrophobicContact CE2-CG 3.67Å; F657-M661 HydrophobicContact CE2-SD 4.23Å; F657-M661 HydrophobicContact CG-CG 4.32Å; F657-M661 HydrophobicContact CZ-CG 3.9Å; F657-M661 WeakPolarHBondContact O-CB 3.49Å; F657-M661 VanDerWaalsContact O-CG 3.28Å; F657-M661 WeakPolarHBondContact O-CG 3.38Å; F657-M661 PolarHBondContact O-N 2.61Å
662T84.5Confident80.1Confident33 Ų3368.3 Ų68.320%0.20237%0.365CS..Hα-helixtrans-120.2-0.4175.556.60000113.8L546 H549 S658 M659 A660L546-T662 HydrophobicContact CD1-CG2 4.1Å; H549-T662 HydrophobicContact CB-CG2 3.65Å; S658-T662 VanDerWaalsContact O-CG2 3.22Å; S658-T662 WeakPolarHBondContact O-CG2 3.44Å; S658-T662 PolarHBondContact O-OG1 3.03Å; M659-T662 PolarHBondContact O-N 3.15Å; M659-T662 PolarHBondContact O-OG1 3.1Å; A660-T662 PolarHBondContact O-N 2.91Å; A660-T662 VanDerWaalsContact O-N 3.12Å
663Q82.9Confident82.1Confident111 Ų11160.5 Ų60.552%0.51933%0.334SS..Hα-helixtrans-75.1-33174.7-77.4177.55.800113.3H655 M659 A660H655-Q663 PolarHBondContact CD2-NE2 3.32Å; H655-Q663 PolarHBondContact NE2-NE2 2.89Å; M659-Q663 WeakPolarHBondContact O-CG 3.4Å; M659-Q663 PolarHBondContact O-N 2.98Å; A660-Q663 PolarHBondContact O-N 2.98Å
664Q78.9Confident83.9Confident90 Ų9060.3 Ų60.342%0.42131%0.313SS..  trans-145.6129.5-179.4-63.9175.528.400108.6H618 T666H618-Q664 PolarHBondContact CE1-O 3.33Å; Q664-T666 VanDerWaalsContact C-N 3.35Å
665S77.6Confident85.1Confident31 Ų3157.2 Ų57.222%0.21729%0.292CS..SBendtrans-79-15.3-177.946.90000114.5H549 N553H549-S665 VanDerWaalsContact NE2-CA 3.34Å; H549-S665 WeakPolarHBondContact NE2-CA 3.39Å; H549-S665 WeakPolarHBondContact NE2-CB 3.21Å; N553-S665 VanDerWaalsContact CG-CB 3.47Å; N553-S665 WeakPolarHBondContact OD1-CB 3.47Å; N553-S665 PolarHBondContact OD1-OG 3.33Å
666T86.4Confident85.8Confident46 Ų4655.1 Ų55.128%0.28228%0.282SS..SBendtrans-143.6144.5171.355.70000110.4F560 Q664F560-T666 HydrophobicContact CB-CG2 3.68Å; F560-T666 HydrophobicContact CD1-CG2 3.81Å; F560-T666 HydrophobicContact CD2-CG2 3.74Å; F560-T666 HydrophobicContact CE1-CG2 4.41Å; F560-T666 HydrophobicContact CE2-CG2 4.35Å; F560-T666 HydrophobicContact CG-CG2 3.44Å; F560-T666 VanDerWaalsContact CG-CG2 3.44Å; Q664-T666 VanDerWaalsContact C-N 3.35Å
667P88.6Confident86Confident9 Ų956 Ų566%0.05828%0.281CS..  trans-58.7152.8172.1-26.833.2000114.1F560 L615 I619 L622 L672F560-P667 HydrophobicContact CZ-CG 4.3Å; L615-P667 HydrophobicContact CD1-CB 3.76Å; L615-P667 HydrophobicContact CD1-CG 4.02Å; I619-P667 HydrophobicContact CG1-CG 4.47Å; L622-P667 HydrophobicContact CD1-CG 4.46Å; P667-L672 HydrophobicContact CB-CD2 4.05Å; P667-L672 HydrophobicContact CB-CG 4.29Å; P667-L672 HydrophobicContact CG-CD2 4.45Å
668Q86.7Confident86.2Confident101 Ų10157.4 Ų57.447%0.47229%0.287SS..  trans-68.4145.5177.7-52.6-1677.800111.5K670 D671 L672Q668-K670 PolarHBondContact O-N 3.09Å; Q668-D671 WeakPolarHBondContact CB-OD2 3.22Å; Q668-D671 WeakPolarHBondContact O-CB 3.48Å; Q668-D671 PolarHBondContact O-N 3.35Å; Q668-L672 PolarHBondContact O-N 3.07Å
669R86.9Confident86.5Confident106 Ų10655.7 Ų55.740%0.428%0.275SS..Hα-helixtrans-53.8-41.1-179.8-169.769.2-139-173.96112.8D563 D671 L672 D673D563-R669 IonicContact OD2-NH1 3.28Å; D563-R669 PolarHBondContact OD2-NH1 2.94Å; R669-D671 VanDerWaalsContact C-N 3.29Å; R669-D671 PolarHBondContact O-N 3.13Å; R669-L672 PolarHBondContact O-N 3.46Å; R669-D673 IonicContact CZ-OD1 3.56Å; R669-D673 IonicContact NE-OD1 2.88Å; R669-D673 PolarHBondContact NE-OD1 3.23Å; R669-D673 IonicContact NE-OD2 3.68Å; R669-D673 IonicContact NH2-OD1 3.96Å; R669-D673 PolarHBondContact NH2-OD1 3.43Å; R669-D673 PolarHBondContact O-N 3.44Å
670K87.8Confident86.6Confident156 Ų15656.8 Ų56.868%0.67828%0.279SS*.Hα-helixtrans-58.6-38.1177.1-65.7179-179.8175.40113Q668 D673 N674Q668-K670 PolarHBondContact O-N 3.09Å; K670-D673 PolarHBondContact O-N 3.47Å; K670-N674 WeakPolarHBondContact O-CB 3.01Å; K670-N674 PolarHBondContact O-N 3.22Å; K670-N674 PolarHBondContact O-ND2 3.15Å; K670-N674 VanDerWaalsContact O-ND2 3.12Å
671D89Confident86.5Confident52 Ų5263 Ų6328%0.27831%0.306SS..Hα-helixtrans-72.4-37.1-178.2-58.5-36.1000110.9L615 Q668 R669 N674 L675L615-D671 HydrophobicContact CD1-CB 4.18Å; L615-D671 HydrophobicContact CD2-CB 3.81Å; Q668-D671 WeakPolarHBondContact CB-OD2 3.22Å; Q668-D671 WeakPolarHBondContact O-CB 3.48Å; Q668-D671 PolarHBondContact O-N 3.35Å; R669-D671 VanDerWaalsContact C-N 3.29Å; R669-D671 PolarHBondContact O-N 3.13Å; D671-N674 PolarHBondContact O-N 3.31Å; D671-L675 PolarHBondContact O-N 3.07Å
672L89.3Confident86.5Confident4 Ų465.5 Ų65.52%0.02132%0.321CS..Hα-helixtrans-67.6-42.6173.1-57.4171.2000111.6F560 I568 I619 P667 Q668 R669 N674 L675 H676F560-L672 HydrophobicContact CE2-CD1 3.57Å; F560-L672 HydrophobicContact CZ-CD1 3.6Å; F560-L672 HydrophobicContact CZ-CD2 4.24Å; I568-L672 HydrophobicContact CD1-CB 3.82Å; I568-L672 HydrophobicContact CD1-CD2 3.85Å; I568-L672 HydrophobicContact CD1-CG 4.43Å; I619-L672 HydrophobicContact CD1-CD2 4Å; P667-L672 HydrophobicContact CB-CD2 4.05Å; P667-L672 HydrophobicContact CB-CG 4.29Å; P667-L672 HydrophobicContact CG-CD2 4.45Å; Q668-L672 PolarHBondContact O-N 3.07Å; R669-L672 PolarHBondContact O-N 3.46Å; L672-N674 VanDerWaalsContact C-N 3.31Å; L672-N674 PolarHBondContact O-N 3.19Å; L672-L675 PolarHBondContact O-N 3.41Å; L672-H676 PolarHBondContact O-N 3.14Å
673D90.4Very high86.4Confident65 Ų6565.7 Ų65.735%0.34832%0.318SS..Hα-helixtrans-66.8-33.9177.2-58.8-24.6000110.8R669 K670 H676 I677R669-D673 IonicContact CZ-OD1 3.56Å; R669-D673 IonicContact NE-OD1 2.88Å; R669-D673 PolarHBondContact NE-OD1 3.23Å; R669-D673 IonicContact NE-OD2 3.68Å; R669-D673 IonicContact NH2-OD1 3.96Å; R669-D673 PolarHBondContact NH2-OD1 3.43Å; R669-D673 PolarHBondContact O-N 3.44Å; K670-D673 PolarHBondContact O-N 3.47Å; D673-H676 WeakPolarHBondContact O-CB 3.48Å; D673-H676 PolarHBondContact O-N 3.45Å; D673-I677 WeakPolarHBondContact O-CG1 3.34Å; D673-I677 PolarHBondContact O-N 3.42Å
674N89.5Confident86.6Confident80 Ų8060.4 Ų60.443%0.42829%0.293SS..Hα-helixtrans-63.7-42.5170-72.5-30.4000112.5K670 D671 L672 H676 I677 Q678K670-N674 WeakPolarHBondContact O-CB 3.01Å; K670-N674 PolarHBondContact O-N 3.22Å; K670-N674 PolarHBondContact O-ND2 3.15Å; K670-N674 VanDerWaalsContact O-ND2 3.12Å; D671-N674 PolarHBondContact O-N 3.31Å; L672-N674 VanDerWaalsContact C-N 3.31Å; L672-N674 PolarHBondContact O-N 3.19Å; N674-H676 VanDerWaalsContact C-N 3.33Å; N674-I677 PolarHBondContact O-N 3.34Å; N674-Q678 PolarHBondContact O-N 2.97Å
675L90.8Very high87.1Confident0 Ų058.5 Ų58.50%028%0.283CS..Hα-helixtrans-65.3-35.8174.5-72.8-173.2000112.5I568 L615 W616 I619 D671 L672 Q678 L679I568-L675 HydrophobicContact CD1-CB 4.38Å; L615-L675 HydrophobicContact CD2-CD1 3.54Å; L615-L675 HydrophobicContact CD2-CD2 4.1Å; L615-L675 HydrophobicContact CD2-CG 3.62Å; L615-L675 HydrophobicContact CG-CD1 3.84Å; L615-L675 HydrophobicContact CG-CG 4.45Å; W616-L675 HydrophobicContact CD2-CD1 4.18Å; W616-L675 HydrophobicContact CH2-CD1 4.27Å; W616-L675 HydrophobicContact CZ2-CB 4.43Å; W616-L675 HydrophobicContact CZ2-CD1 3.86Å; W616-L675 HydrophobicContact CZ2-CD2 3.8Å; W616-L675 HydrophobicContact CZ2-CG 4.25Å; I619-L675 HydrophobicContact CD1-CD1 3.46Å; I619-L675 VanDerWaalsContact CD1-CD1 3.46Å; D671-L675 PolarHBondContact O-N 3.07Å; L672-L675 PolarHBondContact O-N 3.41Å; L675-Q678 PolarHBondContact O-N 2.8Å; L675-L679 WeakPolarHBondContact O-CD1 3.49Å; L675-L679 WeakPolarHBondContact O-CG 3.4Å; L675-L679 PolarHBondContact O-N 3.02Å
676H90.7Very high87.4Confident66 Ų6657.6 Ų57.631%0.30628%0.276SS..Hα-helixtrans-61.5-44.6173.3-172.3-70000111.1L672 D673 N674 Q678 L679 E680 F685L672-H676 PolarHBondContact O-N 3.14Å; D673-H676 WeakPolarHBondContact O-CB 3.48Å; D673-H676 PolarHBondContact O-N 3.45Å; N674-H676 VanDerWaalsContact C-N 3.33Å; H676-Q678 VanDerWaalsContact C-N 3.32Å; H676-Q678 PolarHBondContact O-N 2.94Å; H676-L679 PolarHBondContact O-N 3.23Å; H676-E680 IonicContact CE1-OE2 2.98Å; H676-E680 IonicContact ND1-OE2 2.61Å; H676-E680 WeakPolarHBondContact O-CB 3.42Å; H676-E680 PolarHBondContact O-N 3.26Å; H676-F685 AromaticContact CD2-CZ 3.91Å; H676-F685 AromaticContact CE1-CE2 3.7Å; H676-F685 AromaticContact ND1-CE2 3.95Å; H676-F685 AromaticContact NE2-CE2 3.88Å; H676-F685 AromaticContact NE2-CZ 3.86Å
677I87.4Confident87.4Confident85 Ų8556.2 Ų56.244%0.43627%0.267SS..Hα-helixtrans-59.7-43.5173.5-66165.2000110.4D673 N674 L679 E680 E681D673-I677 WeakPolarHBondContact O-CG1 3.34Å; D673-I677 PolarHBondContact O-N 3.42Å; N674-I677 PolarHBondContact O-N 3.34Å; I677-L679 VanDerWaalsContact C-N 3.31Å; I677-L679 PolarHBondContact O-N 3.4Å; I677-E680 WeakPolarHBondContact O-CB 3.34Å; I677-E680 PolarHBondContact O-N 2.82Å; I677-E681 HydrophobicContact CG2-CG 4.33Å; I677-E681 WeakPolarHBondContact O-CG 3.38Å; I677-E681 PolarHBondContact O-N 3.16Å
678Q88.2Confident87.5Confident35 Ų3556 Ų5616%0.16427%0.265CS..Hα-helixtrans-60.7-39.6177.6-155.5-156.6-21.200112.5T609 S610 N674 L675 H676 V682T609-Q678 PolarHBondContact O-NE2 2.98Å; S610-Q678 PolarHBondContact OG-OE1 2.91Å; N674-Q678 PolarHBondContact O-N 2.97Å; L675-Q678 PolarHBondContact O-N 2.8Å; H676-Q678 VanDerWaalsContact C-N 3.32Å; H676-Q678 PolarHBondContact O-N 2.94Å; Q678-V682 WeakPolarHBondContact O-CG2 3.04Å; Q678-V682 PolarHBondContact O-N 3.36Å
679L89Confident87.6Confident0 Ų052.1 Ų52.10%025%0.252CS..Hα-helixtrans-68.9-35176.6-73160.1000112.6I568 P569 L608 W616 L675 H676 I677 V682 R683 F684 F685I568-L679 HydrophobicContact CG2-CD1 4.37Å; P569-L679 HydrophobicContact CG-CD1 4.15Å; P569-L679 HydrophobicContact CG-CD2 4.05Å; L608-L679 HydrophobicContact CD2-CD2 3.88Å; W616-L679 HydrophobicContact CH2-CD1 4.36Å; L675-L679 WeakPolarHBondContact O-CD1 3.49Å; L675-L679 WeakPolarHBondContact O-CG 3.4Å; L675-L679 PolarHBondContact O-N 3.02Å; H676-L679 PolarHBondContact O-N 3.23Å; I677-L679 VanDerWaalsContact C-N 3.31Å; I677-L679 PolarHBondContact O-N 3.4Å; L679-V682 WeakPolarHBondContact O-CG2 3.4Å; L679-R683 PolarHBondContact O-N 3.34Å; L679-F684 HydrophobicContact CB-CB 4.24Å; L679-F684 HydrophobicContact CD2-CB 3.92Å; L679-F684 HydrophobicContact CD2-CD1 4.2Å; L679-F684 HydrophobicContact CD2-CD2 4.33Å; L679-F684 HydrophobicContact CD2-CG 3.88Å; L679-F684 WeakPolarHBondContact O-CB 3.16Å; L679-F684 PolarHBondContact O-N 2.88Å; L679-F685 HydrophobicContact CB-CE1 4.47Å; L679-F685 HydrophobicContact CB-CE2 3.66Å; L679-F685 HydrophobicContact CB-CZ 3.64Å; L679-F685 HydrophobicContact CD1-CZ 4.09Å; L679-F685 HydrophobicContact CG-CZ 4.49Å
680E86.1Confident87.8Confident101 Ų10149.3 Ų49.347%0.47224%0.243SC..Hα-helixtrans-69.5-42.6175.3-168.3178.4160.300111.6H676 I677 V682 R683 F685H676-E680 IonicContact CE1-OE2 2.98Å; H676-E680 IonicContact ND1-OE2 2.61Å; H676-E680 WeakPolarHBondContact O-CB 3.42Å; H676-E680 PolarHBondContact O-N 3.26Å; I677-E680 WeakPolarHBondContact O-CB 3.34Å; I677-E680 PolarHBondContact O-N 2.82Å; E680-V682 PolarHBondContact O-N 3.24Å; E680-R683 WeakPolarHBondContact O-CA 3.45Å; E680-R683 WeakPolarHBondContact O-CD 3.45Å; E680-R683 PolarHBondContact O-N 3.43Å; E680-F685 HydrophobicContact CB-CD2 4.26Å; E680-F685 HydrophobicContact CB-CE2 4.22Å
681E82.6Confident87.9Confident149 Ų14942.4 Ų42.470%0.69621%0.214SC*.Hα-helixtrans-60.4-40.2175-76.2-177.116100112.7I677 R683I677-E681 HydrophobicContact CG2-CG 4.33Å; I677-E681 WeakPolarHBondContact O-CG 3.38Å; I677-E681 PolarHBondContact O-N 3.16Å; E681-R683 PolarHBondContact O-N 2.74Å
682V82.4Confident87.8Confident56 Ų5646.7 Ų46.734%0.33923%0.233SC..THydrogen-bonded Turntrans-845.7174-55.50000113.9F606 L608 Q678 L679 E680 F684F606-V682 HydrophobicContact CE1-CG2 4.11Å; F606-V682 HydrophobicContact CZ-CB 4.26Å; F606-V682 HydrophobicContact CZ-CG2 3.83Å; L608-V682 HydrophobicContact CD1-CB 4.37Å; L608-V682 HydrophobicContact CD1-CG1 3.73Å; L608-V682 HydrophobicContact CD1-CG2 3.93Å; Q678-V682 WeakPolarHBondContact O-CG2 3.04Å; Q678-V682 PolarHBondContact O-N 3.36Å; L679-V682 WeakPolarHBondContact O-CG2 3.4Å; E680-V682 PolarHBondContact O-N 3.24Å; V682-F684 HydrophobicContact CG2-CB 4.26Å; V682-F684 PolarHBondContact O-N 2.95Å
683R83.1Confident87.5Confident36 Ų3655.4 Ų55.414%0.13627%0.273CS..THydrogen-bonded Turntrans56.733.8178.2-49.3-67.1-88.8138.58.2113.5L679 E680 E681 F685 D686L679-R683 PolarHBondContact O-N 3.34Å; E680-R683 WeakPolarHBondContact O-CA 3.45Å; E680-R683 WeakPolarHBondContact O-CD 3.45Å; E680-R683 PolarHBondContact O-N 3.43Å; E681-R683 PolarHBondContact O-N 2.74Å; R683-F685 VanDerWaalsContact C-N 3.26Å; R683-F685 PolarHBondContact O-N 2.91Å; R683-D686 HydrophobicContact CB-CB 4.27Å; R683-D686 VanDerWaalsContact CZ-CG 3.4Å; R683-D686 IonicContact CZ-OD1 2.96Å; R683-D686 IonicContact CZ-OD2 2.82Å; R683-D686 IonicContact NE-OD1 3.64Å; R683-D686 IonicContact NE-OD2 2.63Å; R683-D686 PolarHBondContact NE-OD2 3.26Å; R683-D686 IonicContact NH1-OD1 3.82Å; R683-D686 PolarHBondContact NH1-OD1 2.97Å; R683-D686 IonicContact NH1-OD2 3.19Å; R683-D686 IonicContact NH2-OD1 3.4Å; R683-D686 PolarHBondContact NH2-OD1 3.26Å; R683-D686 IonicContact NH2-OD2 3.96Å; R683-D686 PolarHBondContact NH2-OD2 3.44Å; R683-D686 WeakPolarHBondContact O-CB 3.36Å; R683-D686 PolarHBondContact O-N 3.28Å; R683-D686 VanDerWaalsContact O-N 3.16Å
684F87.8Confident87.1Confident1 Ų157.7 Ų57.70%0.00428%0.282CS..Hα-helixtrans-56.4-43.2176.3177.5-93.3000111.4P569 F590 F606 L679 V682 D686 L687 F688 W697P569-F684 HydrophobicContact CB-CE1 3.86Å; P569-F684 HydrophobicContact CB-CZ 3.69Å; P569-F684 HydrophobicContact CG-CD1 4.1Å; P569-F684 HydrophobicContact CG-CE1 3.5Å; P569-F684 VanDerWaalsContact CG-CE1 3.5Å; P569-F684 HydrophobicContact CG-CE2 4.26Å; P569-F684 HydrophobicContact CG-CZ 3.59Å; F590-F684 HydrophobicContact CB-CE2 3.98Å; F590-F684 HydrophobicContact CD1-CE2 4.32Å; F590-F684 HydrophobicContact CD2-CE2 4.37Å; F590-F684 AromaticContact CG-CE2 3.99Å; F590-F684 HydrophobicContact CG-CE2 3.99Å; F606-F684 AromaticContact CD1-CD2 3.71Å; F606-F684 HydrophobicContact CD1-CD2 3.71Å; F606-F684 HydrophobicContact CD1-CE2 4.23Å; F606-F684 HydrophobicContact CE1-CB 4.39Å; F606-F684 AromaticContact CE1-CD2 3.76Å; F606-F684 HydrophobicContact CE1-CD2 3.76Å; F606-F684 HydrophobicContact CG-CD2 4.24Å; F606-F684 HydrophobicContact CZ-CB 4.36Å; F606-F684 HydrophobicContact CZ-CD2 4.32Å; L679-F684 HydrophobicContact CB-CB 4.24Å; L679-F684 HydrophobicContact CD2-CB 3.92Å; L679-F684 HydrophobicContact CD2-CD1 4.2Å; L679-F684 HydrophobicContact CD2-CD2 4.33Å; L679-F684 HydrophobicContact CD2-CG 3.88Å; L679-F684 WeakPolarHBondContact O-CB 3.16Å; L679-F684 PolarHBondContact O-N 2.88Å; V682-F684 HydrophobicContact CG2-CB 4.26Å; V682-F684 PolarHBondContact O-N 2.95Å; F684-D686 VanDerWaalsContact C-N 3.27Å; F684-D686 PolarHBondContact O-N 3.46Å; F684-L687 PolarHBondContact O-N 2.86Å; F684-F688 HydrophobicContact CD1-CB 4.17Å; F684-F688 AromaticContact CD2-CD2 3.99Å; F684-F688 HydrophobicContact CD2-CD2 3.99Å; F684-F688 HydrophobicContact CE1-CB 3.52Å; F684-F688 HydrophobicContact CE1-CD2 4.44Å; F684-F688 HydrophobicContact CE1-CG 4.08Å; F684-F688 HydrophobicContact CE2-CB 4.11Å; F684-F688 HydrophobicContact CE2-CD1 4.42Å; F684-F688 AromaticContact CE2-CD2 3.47Å; F684-F688 HydrophobicContact CE2-CD2 3.47Å; F684-F688 VanDerWaalsContact CE2-CD2 3.47Å; F684-F688 AromaticContact CE2-CE2 3.88Å; F684-F688 HydrophobicContact CE2-CE2 3.88Å; F684-F688 AromaticContact CE2-CG 3.78Å; F684-F688 HydrophobicContact CE2-CG 3.78Å; F684-F688 HydrophobicContact CZ-CB 3.48Å; F684-F688 VanDerWaalsContact CZ-CB 3.48Å; F684-F688 HydrophobicContact CZ-CD1 4.01Å; F684-F688 AromaticContact CZ-CD2 3.73Å; F684-F688 HydrophobicContact CZ-CD2 3.73Å; F684-F688 HydrophobicContact CZ-CE2 4.41Å; F684-F688 AromaticContact CZ-CG 3.5Å; F684-F688 HydrophobicContact CZ-CG 3.5Å; F684-F688 VanDerWaalsContact CZ-CG 3.5Å; F684-F688 PolarHBondContact O-N 3.4Å; F684-W697 HydrophobicContact CE1-CD2 4.22Å; F684-W697 AromaticContact CE1-CE3 3.82Å; F684-W697 HydrophobicContact CE1-CE3 3.82Å; F684-W697 HydrophobicContact CE1-CZ3 4.19Å
685F88.2Confident86.8Confident49 Ų4956.4 Ų56.422%0.21529%0.287CS..Hα-helixtrans-69.7-16.6-178.8-52.7-57.4000114.3H676 L679 E680 R683 L687 F688 W697H676-F685 AromaticContact CD2-CZ 3.91Å; H676-F685 AromaticContact CE1-CE2 3.7Å; H676-F685 AromaticContact ND1-CE2 3.95Å; H676-F685 AromaticContact NE2-CE2 3.88Å; H676-F685 AromaticContact NE2-CZ 3.86Å; L679-F685 HydrophobicContact CB-CE1 4.47Å; L679-F685 HydrophobicContact CB-CE2 3.66Å; L679-F685 HydrophobicContact CB-CZ 3.64Å; L679-F685 HydrophobicContact CD1-CZ 4.09Å; L679-F685 HydrophobicContact CG-CZ 4.49Å; E680-F685 HydrophobicContact CB-CD2 4.26Å; E680-F685 HydrophobicContact CB-CE2 4.22Å; R683-F685 VanDerWaalsContact C-N 3.26Å; R683-F685 PolarHBondContact O-N 2.91Å; F685-L687 VanDerWaalsContact C-N 3.26Å; F685-F688 WeakPolarHBondContact CA-O 3.11Å; F685-W697 AromaticContact CD1-CH2 3.7Å; F685-W697 HydrophobicContact CD1-CH2 3.7Å; F685-W697 AromaticContact CD1-CZ3 3.71Å; F685-W697 HydrophobicContact CD1-CZ3 3.71Å; F685-W697 AromaticContact CE1-CH2 3.53Å; F685-W697 HydrophobicContact CE1-CH2 3.53Å; F685-W697 HydrophobicContact CE1-CZ2 4.26Å; F685-W697 AromaticContact CE1-CZ3 3.95Å; F685-W697 HydrophobicContact CE1-CZ3 3.95Å
686D84.6Confident86.6Confident13 Ų1357.2 Ų57.27%0.0730%0.296CS..Hα-helixtrans-69-30.6169-67.725.7000110.7R683 F684 N815R683-D686 HydrophobicContact CB-CB 4.27Å; R683-D686 VanDerWaalsContact CZ-CG 3.4Å; R683-D686 IonicContact CZ-OD1 2.96Å; R683-D686 IonicContact CZ-OD2 2.82Å; R683-D686 IonicContact NE-OD1 3.64Å; R683-D686 IonicContact NE-OD2 2.63Å; R683-D686 PolarHBondContact NE-OD2 3.26Å; R683-D686 IonicContact NH1-OD1 3.82Å; R683-D686 PolarHBondContact NH1-OD1 2.97Å; R683-D686 IonicContact NH1-OD2 3.19Å; R683-D686 IonicContact NH2-OD1 3.4Å; R683-D686 PolarHBondContact NH2-OD1 3.26Å; R683-D686 IonicContact NH2-OD2 3.96Å; R683-D686 PolarHBondContact NH2-OD2 3.44Å; R683-D686 WeakPolarHBondContact O-CB 3.36Å; R683-D686 PolarHBondContact O-N 3.28Å; R683-D686 VanDerWaalsContact O-N 3.16Å; F684-D686 VanDerWaalsContact C-N 3.27Å; F684-D686 PolarHBondContact O-N 3.46Å; D686-N815 HydrophobicContact CB-CB 4.35Å; D686-N815 PolarHBondContact OD2-ND2 3.18Å
687L85.9Confident86.7Confident16 Ų1655.9 Ų55.98%0.08429%0.288CS..Hα-helixtrans-107.4-21-168.5-62.8172.9000113.7F606 F684 F685 C699 F700 N815 V816 A819F606-L687 HydrophobicContact CD2-CD1 4.08Å; F606-L687 HydrophobicContact CE2-CD1 3.95Å; F684-L687 PolarHBondContact O-N 2.86Å; F685-L687 VanDerWaalsContact C-N 3.26Å; L687-C699 CarbonylContact O-C 3.56Å; L687-C699 VanDerWaalsContact O-CA 3.27Å; L687-C699 WeakPolarHBondContact O-CA 3.25Å; L687-F700 PolarHBondContact O-N 3.15Å; L687-N815 HydrophobicContact CD2-CB 4.12Å; L687-V816 HydrophobicContact CD2-CG2 4.12Å; L687-A819 HydrophobicContact CD2-CB 4.05Å
688F90.4Very high86.9Confident6 Ų652 Ų523%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-132.8137.5177.4-76-101.1000111.5C592 Y601 F606 F684 F685 W697 L698 C699C592-F688 HydrophobicContact CB-CE1 4.21Å; Y601-F688 HydrophobicContact CD2-CE1 4.37Å; Y601-F688 AromaticContact CD2-CE2 3.61Å; Y601-F688 HydrophobicContact CD2-CE2 3.61Å; Y601-F688 AromaticContact CD2-CZ 3.41Å; Y601-F688 HydrophobicContact CD2-CZ 3.41Å; Y601-F688 VanDerWaalsContact CD2-CZ 3.41Å; Y601-F688 HydrophobicContact CE2-CD2 4.19Å; Y601-F688 AromaticContact CE2-CE2 3.28Å; Y601-F688 HydrophobicContact CE2-CE2 3.28Å; Y601-F688 AromaticContact CE2-CZ 3.65Å; Y601-F688 HydrophobicContact CE2-CZ 3.65Å; Y601-F688 HydrophobicContact CG-CZ 4.17Å; F606-F688 HydrophobicContact CB-CE2 3.78Å; F606-F688 HydrophobicContact CB-CZ 4.37Å; F606-F688 HydrophobicContact CG-CE2 4.41Å; F684-F688 HydrophobicContact CD1-CB 4.17Å; F684-F688 AromaticContact CD2-CD2 3.99Å; F684-F688 HydrophobicContact CD2-CD2 3.99Å; F684-F688 HydrophobicContact CE1-CB 3.52Å; F684-F688 HydrophobicContact CE1-CD2 4.44Å; F684-F688 HydrophobicContact CE1-CG 4.08Å; F684-F688 HydrophobicContact CE2-CB 4.11Å; F684-F688 HydrophobicContact CE2-CD1 4.42Å; F684-F688 AromaticContact CE2-CD2 3.47Å; F684-F688 HydrophobicContact CE2-CD2 3.47Å; F684-F688 VanDerWaalsContact CE2-CD2 3.47Å; F684-F688 AromaticContact CE2-CE2 3.88Å; F684-F688 HydrophobicContact CE2-CE2 3.88Å; F684-F688 AromaticContact CE2-CG 3.78Å; F684-F688 HydrophobicContact CE2-CG 3.78Å; F684-F688 HydrophobicContact CZ-CB 3.48Å; F684-F688 VanDerWaalsContact CZ-CB 3.48Å; F684-F688 HydrophobicContact CZ-CD1 4.01Å; F684-F688 AromaticContact CZ-CD2 3.73Å; F684-F688 HydrophobicContact CZ-CD2 3.73Å; F684-F688 HydrophobicContact CZ-CE2 4.41Å; F684-F688 AromaticContact CZ-CG 3.5Å; F684-F688 HydrophobicContact CZ-CG 3.5Å; F684-F688 VanDerWaalsContact CZ-CG 3.5Å; F684-F688 PolarHBondContact O-N 3.4Å; F685-F688 WeakPolarHBondContact CA-O 3.11Å; F688-W697 HydrophobicContact CB-CE3 4.15Å; F688-L698 CarbonylContact C-O 3.6Å; F688-L698 VanDerWaalsContact CA-O 3.24Å; F688-L698 WeakPolarHBondContact CA-O 3.18Å; F688-C699 HydrophobicContact CD1-CB 4.31Å; F688-C699 HydrophobicContact CE1-CB 4.14Å; F688-C699 HydrophobicContact CZ-CB 4.35Å
689G90Very high87Confident19 Ų1950.4 Ų50.420%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-123.5151.6170.800000111.2W697 L698G689-W697 VanDerWaalsContact C-CE3 3.45Å; G689-L698 PolarHBondContact N-O 3.14Å; G689-L698 PolarHBondContact O-N 2.71Å
690F91.1Very high86.9Confident46 Ų4651.5 Ų51.520%0.20227%0.266CS..EExtended strand (participates in β ladder)trans-77.4128.8171.6-171.8-91.5000109.8A565 K566 E692 W697A565-F690 WeakPolarHBondContact O-CD2 3.44Å; A565-F690 WeakPolarHBondContact O-CE2 3.47Å; K566-F690 HydrophobicContact CD-CE1 4.4Å; K566-F690 HydrophobicContact CG-CD1 4.35Å; K566-F690 HydrophobicContact CG-CE1 3.89Å; K566-F690 HydrophobicContact CG-CE2 4.32Å; K566-F690 HydrophobicContact CG-CZ 3.87Å; F690-E692 HydrophobicContact CD1-CG 4.3Å; F690-E692 HydrophobicContact CE1-CG 4.22Å; F690-W697 HydrophobicContact CB-CD2 4.21Å; F690-W697 HydrophobicContact CB-CE3 4.29Å; F690-W697 HydrophobicContact CB-CH2 4.26Å; F690-W697 HydrophobicContact CB-CZ2 4.18Å; F690-W697 HydrophobicContact CB-CZ3 4.32Å; F690-W697 AromaticContact CD2-CD1 3.93Å; F690-W697 HydrophobicContact CD2-CD2 4.38Å; F690-W697 HydrophobicContact CD2-CG 4.34Å; F690-W697 AromaticContact CD2-NE1 3.71Å
691S89.8Confident86.8Confident11 Ų1146.9 Ų46.98%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-97.6127.9168.71740000109.6E693 E694 G695 G696 N703S691-E693 VanDerWaalsContact C-N 3.3Å; S691-E693 PolarHBondContact OG-N 3.24Å; S691-E694 PolarHBondContact OG-N 3.19Å; S691-G695 WeakPolarHBondContact O-CA 3.38Å; S691-G695 PolarHBondContact O-N 3.12Å; S691-G696 PolarHBondContact N-O 2.79Å; S691-G696 PolarHBondContact O-N 3.28Å; S691-G696 VanDerWaalsContact O-N 3.15Å; S691-N703 WeakPolarHBondContact CB-OD1 3.33Å
692E85.9Confident86.9Confident143 Ų14340.7 Ų40.767%0.66822%0.217SC*.THydrogen-bonded Turntrans-75.5-21.5171.6-57.6-146.7120.400112.5K566 F690K566-E692 IonicContact NZ-OE1 3.67Å; K566-E692 PolarHBondContact NZ-OE1 2.73Å; F690-E692 HydrophobicContact CD1-CG 4.3Å; F690-E692 HydrophobicContact CE1-CG 4.22Å
693E83.4Confident87.2Confident186 Ų18640.7 Ų40.787%0.86922%0.215SC*.THydrogen-bonded Turntrans-75.4-46.6178.9-59-176.5159.600111.3S691 G695S691-E693 VanDerWaalsContact C-N 3.3Å; S691-E693 PolarHBondContact OG-N 3.24Å; E693-G695 VanDerWaalsContact C-N 3.34Å
694E82.3Confident87.1Confident114 Ų11440.2 Ų40.253%0.53322%0.215SC..THydrogen-bonded Turntrans-86-6.2175.8-65.4-66153.900112.9L594 S691 G696 L698L594-E694 HydrophobicContact CD1-CG 4Å; L594-E694 HydrophobicContact CD2-CG 4.46Å; L594-E694 HydrophobicContact CG-CG 4.32Å; S691-E694 PolarHBondContact OG-N 3.19Å; E694-G696 PolarHBondContact O-N 3.49Å; E694-L698 HydrophobicContact CB-CD1 4.47Å; E694-L698 HydrophobicContact CB-CD2 4.49Å; E694-L698 HydrophobicContact CG-CD1 4.1Å; E694-L698 HydrophobicContact CG-CD2 4.48Å
695G82.8Confident86.6Confident52 Ų5244 Ų4454%0.53624%0.24SC..THydrogen-bonded Turntrans60.727.7-178.600000114.5S691 E693S691-G695 WeakPolarHBondContact O-CA 3.38Å; S691-G695 PolarHBondContact O-N 3.12Å; E693-G695 VanDerWaalsContact C-N 3.34Å
696G87.9Confident85.8Confident18 Ų1846.4 Ų46.419%0.18625%0.252CS..EExtended strand (participates in β ladder)trans-163.5173.5-168.800000115S691 E694S691-G696 PolarHBondContact N-O 2.79Å; S691-G696 PolarHBondContact O-N 3.28Å; S691-G696 VanDerWaalsContact O-N 3.15Å; E694-G696 PolarHBondContact O-N 3.49Å
697W92.8Very high85.1Confident38 Ų3850.2 Ų50.214%0.14427%0.268CS..EExtended strand (participates in β ladder)trans-81.5124.8-178.6-69.186.6000111.7A565 P569 P593 F684 F685 F688 G689 F690A565-W697 PolarHBondContact O-NE1 3.37Å; P569-W697 HydrophobicContact CB-CD2 4.25Å; P569-W697 HydrophobicContact CB-CG 3.94Å; P593-W697 WeakPolarHBondContact CD-O 3.38Å; F684-W697 HydrophobicContact CE1-CD2 4.22Å; F684-W697 AromaticContact CE1-CE3 3.82Å; F684-W697 HydrophobicContact CE1-CE3 3.82Å; F684-W697 HydrophobicContact CE1-CZ3 4.19Å; F685-W697 AromaticContact CD1-CH2 3.7Å; F685-W697 HydrophobicContact CD1-CH2 3.7Å; F685-W697 AromaticContact CD1-CZ3 3.71Å; F685-W697 HydrophobicContact CD1-CZ3 3.71Å; F685-W697 AromaticContact CE1-CH2 3.53Å; F685-W697 HydrophobicContact CE1-CH2 3.53Å; F685-W697 HydrophobicContact CE1-CZ2 4.26Å; F685-W697 AromaticContact CE1-CZ3 3.95Å; F685-W697 HydrophobicContact CE1-CZ3 3.95Å; F688-W697 HydrophobicContact CB-CE3 4.15Å; G689-W697 VanDerWaalsContact C-CE3 3.45Å; F690-W697 HydrophobicContact CB-CD2 4.21Å; F690-W697 HydrophobicContact CB-CE3 4.29Å; F690-W697 HydrophobicContact CB-CH2 4.26Å; F690-W697 HydrophobicContact CB-CZ2 4.18Å; F690-W697 HydrophobicContact CB-CZ3 4.32Å; F690-W697 AromaticContact CD2-CD1 3.93Å; F690-W697 HydrophobicContact CD2-CD2 4.38Å; F690-W697 HydrophobicContact CD2-CG 4.34Å; F690-W697 AromaticContact CD2-NE1 3.71Å
698L91.4Very high84.1Confident4 Ų449.5 Ų49.52%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-116.5144.4177.8-59.4-177.4000109.9P593 L594 F688 G689 E694 C702 N703P593-L698 HydrophobicContact CG-CD2 3.84Å; L594-L698 HydrophobicContact CB-CD2 4.28Å; L594-L698 HydrophobicContact CD1-CD1 3.8Å; L594-L698 HydrophobicContact CD1-CD2 3.83Å; L594-L698 HydrophobicContact CD1-CG 4.47Å; L594-L698 HydrophobicContact CG-CD2 3.83Å; F688-L698 CarbonylContact C-O 3.6Å; F688-L698 VanDerWaalsContact CA-O 3.24Å; F688-L698 WeakPolarHBondContact CA-O 3.18Å; G689-L698 PolarHBondContact N-O 3.14Å; G689-L698 PolarHBondContact O-N 2.71Å; E694-L698 HydrophobicContact CB-CD1 4.47Å; E694-L698 HydrophobicContact CB-CD2 4.49Å; E694-L698 HydrophobicContact CG-CD1 4.1Å; E694-L698 HydrophobicContact CG-CD2 4.48Å; L698-C702 HydrophobicContact CB-CB 4.2Å; L698-N703 HydrophobicContact CB-CB 3.99Å; L698-N703 HydrophobicContact CD1-CB 4.45Å
699C89.9Confident82.7Confident0 Ų052.3 Ų52.30%028%0.282CS..EExtended strand (participates in β ladder)trans-64.4154.3169.979.90000110.6C592 C599 L600 Y601 L687 F688 M701 C702 N703C592-C699 HydrophobicContact CB-CB 3.96Å; C592-C699 PolarHBondContact SG-N 3.08Å; C599-C699 PolarHBondContact SG-SG 3.29Å; L600-C699 HydrophobicContact CB-CB 4.29Å; L600-C699 HydrophobicContact CD1-CB 4.4Å; Y601-C699 HydrophobicContact CD2-CB 3.79Å; Y601-C699 HydrophobicContact CE2-CB 4.28Å; L687-C699 CarbonylContact O-C 3.56Å; L687-C699 VanDerWaalsContact O-CA 3.27Å; L687-C699 WeakPolarHBondContact O-CA 3.25Å; F688-C699 HydrophobicContact CD1-CB 4.31Å; F688-C699 HydrophobicContact CE1-CB 4.14Å; F688-C699 HydrophobicContact CZ-CB 4.35Å; C699-M701 VanDerWaalsContact C-N 3.25Å; C699-M701 PolarHBondContact O-N 3.15Å; C699-C702 WeakPolarHBondContact O-CA 3.47Å; C699-C702 PolarHBondContact O-N 2.83Å; C699-N703 PolarHBondContact O-N 3.16Å
700F86.5Confident81.3Confident24 Ų2454 Ų5411%0.10529%0.288CS..Hα-helixtrans-46.7-45.3-173.9-177.2-87000113.3L600 L687 C702 N703 N704 K707 Q812 V816L600-F700 HydrophobicContact CD1-CB 4.29Å; L687-F700 PolarHBondContact O-N 3.15Å; F700-C702 PolarHBondContact O-N 3.32Å; F700-N703 CarbonylContact O-C 3.56Å; F700-N703 PolarHBondContact O-N 3.07Å; F700-N704 HydrophobicContact CE1-CB 4.4Å; F700-N704 WeakPolarHBondContact O-CB 3.14Å; F700-N704 PolarHBondContact O-N 3.44Å; F700-N704 PolarHBondContact O-ND2 3.29Å; F700-K707 HydrophobicContact CE1-CB 4.43Å; F700-K707 HydrophobicContact CE1-CD 4.28Å; F700-K707 HydrophobicContact CZ-CD 4Å; F700-Q812 HydrophobicContact CD2-CG 4.38Å; F700-Q812 HydrophobicContact CE2-CG 4.11Å; F700-V816 HydrophobicContact CB-CG2 3.87Å; F700-V816 HydrophobicContact CD1-CG1 3.91Å; F700-V816 HydrophobicContact CD1-CG2 3.94Å; F700-V816 HydrophobicContact CD2-CG2 4.11Å; F700-V816 HydrophobicContact CE1-CG1 4.4Å; F700-V816 HydrophobicContact CG-CG1 4.46Å; F700-V816 HydrophobicContact CG-CG2 3.71Å
701M83.7Confident79.6Confident4 Ų452.3 Ų52.32%0.0228%0.282CS..Hα-helixtrans-71-25.4-179.6-62.5-55.2-170.200114.6Y598 L600 C699 N704 A708 V711 V816Y598-M701 WeakPolarHBondContact O-CB 3.25Å; Y598-M701 WeakPolarHBondContact O-CG 3.32Å; L600-M701 HydrophobicContact CD1-CG 4.38Å; L600-M701 HydrophobicContact CD2-CE 4.37Å; L600-M701 HydrophobicContact CD2-CG 3.74Å; L600-M701 HydrophobicContact CG-CB 4.4Å; L600-M701 HydrophobicContact CG-CG 3.81Å; C699-M701 VanDerWaalsContact C-N 3.25Å; C699-M701 PolarHBondContact O-N 3.15Å; M701-N704 CarbonylContact O-C 3.55Å; M701-A708 HydrophobicContact CB-CB 3.94Å; M701-A708 HydrophobicContact CG-CB 4.26Å; M701-A708 HydrophobicContact SD-CB 3.65Å; M701-V711 HydrophobicContact CE-CB 3.86Å; M701-V711 HydrophobicContact CE-CG1 3.81Å; M701-V711 HydrophobicContact CE-CG2 3.6Å; M701-V711 HydrophobicContact SD-CG2 4.26Å; M701-V816 HydrophobicContact CE-CG1 3.39Å; M701-V816 HydrophobicContact SD-CG1 4.37Å
702C85.6Confident78Confident19 Ų1953.9 Ų53.913%0.12829%0.289CS..Hα-helixtrans-83.8-27.9172.5-69.40000112C592 L594 L698 C699 F700 N704C592-C702 VanDerWaalsContact SG-SG 3.62Å; L594-C702 HydrophobicContact CD1-CB 4.5Å; L698-C702 HydrophobicContact CB-CB 4.2Å; C699-C702 WeakPolarHBondContact O-CA 3.47Å; C699-C702 PolarHBondContact O-N 2.83Å; F700-C702 PolarHBondContact O-N 3.32Å; C702-N704 VanDerWaalsContact C-N 3.35Å
703N87.8Confident76.8Confident55 Ų5551.4 Ų51.429%0.29428%0.278SS..Hα-helixtrans-84.4-8.9174.8-147.140.2000113.3S691 L698 C699 F700S691-N703 WeakPolarHBondContact CB-OD1 3.33Å; L698-N703 HydrophobicContact CB-CB 3.99Å; L698-N703 HydrophobicContact CD1-CB 4.45Å; C699-N703 PolarHBondContact O-N 3.16Å; F700-N703 CarbonylContact O-C 3.56Å; F700-N703 PolarHBondContact O-N 3.07Å
704N82.3Confident75.4Confident26 Ų2651.5 Ų51.514%0.13928%0.278CS..  trans-144.462-178.4-56.1-103.8000110.2F700 M701 C702 E706 K707 A708F700-N704 HydrophobicContact CE1-CB 4.4Å; F700-N704 WeakPolarHBondContact O-CB 3.14Å; F700-N704 PolarHBondContact O-N 3.44Å; F700-N704 PolarHBondContact O-ND2 3.29Å; M701-N704 CarbonylContact O-C 3.55Å; C702-N704 VanDerWaalsContact C-N 3.35Å; N704-E706 WeakPolarHBondContact CA-OE2 3.41Å; N704-E706 WeakPolarHBondContact CB-OE1 3.35Å; N704-E706 PolarHBondContact O-N 3.49Å; N704-K707 HydrophobicContact CB-CB 4.14Å; N704-K707 HydrophobicContact CB-CD 3.9Å; N704-K707 HydrophobicContact CB-CG 4.4Å; N704-K707 PolarHBondContact O-N 3.39Å; N704-K707 PolarHBondContact OD1-NZ 3.16Å; N704-A708 PolarHBondContact O-N 2.9Å; N704-A708 VanDerWaalsContact O-N 3.12Å
705P75.9Confident74.1Confident82 Ų8249.6 Ų49.653%0.53229%0.289SS..Hα-helixtrans-60.6-28-173.926-35.3000113.3A708 T709P705-A708 WeakPolarHBondContact O-CB 3.41Å; P705-A708 PolarHBondContact O-N 3.03Å; P705-T709 PolarHBondContact O-N 3.5Å
706E72.5Confident73.1Confident99 Ų9951.6 Ų51.646%0.46328%0.284SS..Hα-helixtrans-64.9-48.117575.4-55.1143.400111.8N704 A708 T709N704-E706 WeakPolarHBondContact CA-OE2 3.41Å; N704-E706 WeakPolarHBondContact CB-OE1 3.35Å; N704-E706 PolarHBondContact O-N 3.49Å; E706-A708 VanDerWaalsContact C-N 3.28Å; E706-A708 PolarHBondContact O-N 3.41Å; E706-T709 PolarHBondContact O-N 3.46Å; E706-T709 PolarHBondContact O-OG1 3.29Å
707K68.7Low72.1Confident93 Ų9353.2 Ų53.240%0.40429%0.292SS..Hα-helixtrans-62.9-36.6174.8-70.9165.4-152.2160.40111.3F700 N704 T709 V710 V711F700-K707 HydrophobicContact CE1-CB 4.43Å; F700-K707 HydrophobicContact CE1-CD 4.28Å; F700-K707 HydrophobicContact CZ-CD 4Å; N704-K707 HydrophobicContact CB-CB 4.14Å; N704-K707 HydrophobicContact CB-CD 3.9Å; N704-K707 HydrophobicContact CB-CG 4.4Å; N704-K707 PolarHBondContact O-N 3.39Å; N704-K707 PolarHBondContact OD1-NZ 3.16Å; K707-T709 PolarHBondContact O-N 3Å; K707-V710 PolarHBondContact O-N 3.37Å; K707-V711 WeakPolarHBondContact O-CG2 3.42Å; K707-V711 PolarHBondContact O-N 2.72Å
708A65.6Low71.3Confident0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-59.2-30.5177.900000113.5Y598 M701 N704 P705 E706 N712Y598-A708 HydrophobicContact CD2-CB 4.06Å; Y598-A708 HydrophobicContact CG-CB 4.17Å; M701-A708 HydrophobicContact CB-CB 3.94Å; M701-A708 HydrophobicContact CG-CB 4.26Å; M701-A708 HydrophobicContact SD-CB 3.65Å; N704-A708 PolarHBondContact O-N 2.9Å; N704-A708 VanDerWaalsContact O-N 3.12Å; P705-A708 WeakPolarHBondContact O-CB 3.41Å; P705-A708 PolarHBondContact O-N 3.03Å; E706-A708 VanDerWaalsContact C-N 3.28Å; E706-A708 PolarHBondContact O-N 3.41Å; A708-N712 PolarHBondContact O-ND2 3.48Å
709T61.8Low70.9Confident66 Ų6654.5 Ų54.541%0.40530%0.301SS..Hα-helixtrans-75.3-25.5173.468.30000113.9Y598 P705 E706 K707 Q713Y598-T709 HydrophobicContact CE2-CG2 4.11Å; P705-T709 PolarHBondContact O-N 3.5Å; E706-T709 PolarHBondContact O-N 3.46Å; E706-T709 PolarHBondContact O-OG1 3.29Å; K707-T709 PolarHBondContact O-N 3Å; T709-Q713 PolarHBondContact O-NE2 2.71Å
710V58.8Low70.7Confident54 Ų5459.3 Ų59.333%0.32732%0.324SS..Hα-helixtrans-78.2-44.2176.1-179.30000110.2K707 N712 Q713K707-V710 PolarHBondContact O-N 3.37Å; V710-N712 PolarHBondContact O-N 3.36Å; V710-N712 VanDerWaalsContact O-N 3.12Å; V710-Q713 PolarHBondContact O-N 2.91Å
711V56.8Low70.6Confident11 Ų1158.9 Ų58.97%0.06733%0.326CS..Hα-helixtrans-61.1-26.5-178-1700000112.6M701 K707 L718M701-V711 HydrophobicContact CE-CB 3.86Å; M701-V711 HydrophobicContact CE-CG1 3.81Å; M701-V711 HydrophobicContact CE-CG2 3.6Å; M701-V711 HydrophobicContact SD-CG2 4.26Å; K707-V711 WeakPolarHBondContact O-CG2 3.42Å; K707-V711 PolarHBondContact O-N 2.72Å; V711-L718 HydrophobicContact CG1-CD2 4.1Å; V711-L718 HydrophobicContact CG2-CD1 3.62Å; V711-L718 HydrophobicContact CG2-CD2 4.32Å
712N56.3Low70.8Confident43 Ų4365.6 Ų65.623%0.2336%0.355CS..THydrogen-bonded Turntrans-95.72.4179.7-70.8-76.9000114.5Y598 A708 V710 E714 Q820 R824Y598-N712 HydrophobicContact CD1-CB 4.42Å; Y598-N712 VanDerWaalsContact CD1-ND2 3.3Å; Y598-N712 WeakPolarHBondContact CD1-ND2 3.48Å; Y598-N712 HydrophobicContact CE1-CB 4.02Å; A708-N712 PolarHBondContact O-ND2 3.48Å; V710-N712 PolarHBondContact O-N 3.36Å; V710-N712 VanDerWaalsContact O-N 3.12Å; N712-E714 PolarHBondContact O-N 2.89Å; N712-Q820 PolarHBondContact ND2-NE2 3.2Å; N712-Q820 PolarHBondContact OD1-NE2 2.85Å; N712-R824 PolarHBondContact OD1-NH2 3.05Å
713Q59.8Low70.9Confident91 Ų9164.8 Ų64.843%0.42535%0.349SS..SBendtrans-83.7108.1170.5-79.8169.371.200110.3T709 V710 G715 Q716T709-Q713 PolarHBondContact O-NE2 2.71Å; V710-Q713 PolarHBondContact O-N 2.91Å; Q713-G715 PolarHBondContact O-N 3.39Å; Q713-G715 VanDerWaalsContact O-N 3.17Å; Q713-Q716 HydrophobicContact CB-CG 4.44Å; Q713-Q716 PolarHBondContact O-N 2.9Å
714E54.4Low70.8Confident189 Ų18966.3 Ų66.388%0.88335%0.353SS*.THydrogen-bonded Turntrans-58.2119.6179.4-62.2-170.1155.700111.2N712N712-E714 PolarHBondContact O-N 2.89Å
715G54.6Low71Confident74 Ų7465.3 Ų65.376%0.76335%0.348SS*.THydrogen-bonded Turntrans100.3-9.2179.200000116.1Q713Q713-G715 PolarHBondContact O-N 3.39Å; Q713-G715 VanDerWaalsContact O-N 3.17Å
716Q62.6Low71.2Confident93 Ų9364.6 Ų64.644%0.43534%0.336SS..  trans-87.9139.6168.9-69.8-1669.300111.6Q713Q713-Q716 HydrophobicContact CB-CG 4.44Å; Q713-Q716 PolarHBondContact O-N 2.9Å
717P66.1Low71.1Confident52 Ų5263.5 Ų63.534%0.33833%0.331SS..  trans-80.8130.6177.133-34000111.4E720 T742 L743P717-E720 HydrophobicContact CB-CB 4.4Å; P717-E720 HydrophobicContact CB-CG 4.48Å; P717-E720 HydrophobicContact CG-CG 4.42Å; P717-T742 HydrophobicContact CB-CG2 3.69Å; P717-L743 CarbonylContact C-O 3.59Å; P717-L743 WeakPolarHBondContact CA-O 3.49Å
718L76.3Confident70.4Confident42 Ų4263.2 Ų63.222%0.2234%0.337CS..SBendtrans-69.6-38.6170.4175.855.5000111.2V711 L743 C813 A817V711-L718 HydrophobicContact CG1-CD2 4.1Å; V711-L718 HydrophobicContact CG2-CD1 3.62Å; V711-L718 HydrophobicContact CG2-CD2 4.32Å; L718-L743 HydrophobicContact CB-CD2 4.34Å; L718-L743 HydrophobicContact CD2-CD2 3.9Å; L718-L743 HydrophobicContact CG-CD2 4.29Å; L718-L743 PolarHBondContact N-O 2.97Å; L718-C813 HydrophobicContact CD2-CB 4.13Å; L718-C813 HydrophobicContact CG-CB 4.13Å; L718-A817 HydrophobicContact CD2-CB 4.32Å
719I83.7Confident69.3Low28 Ų2873.7 Ų73.714%0.14438%0.376CS..EExtended strand (participates in β ladder)trans-154.5142.5169.9-175.8163000109.5L743 E809 W810 C813I719-L743 HydrophobicContact CG2-CB 3.77Å; I719-L743 HydrophobicContact CG2-CD2 3.84Å; I719-L743 HydrophobicContact CG2-CG 4.47Å; I719-L743 PolarHBondContact O-N 2.89Å; I719-E809 HydrophobicContact CD1-CB 4.21Å; I719-W810 HydrophobicContact CD1-CD2 3.95Å; I719-W810 HydrophobicContact CD1-CG 3.89Å; I719-W810 HydrophobicContact CG1-CD2 4.19Å; I719-W810 HydrophobicContact CG1-CH2 4.47Å; I719-W810 HydrophobicContact CG1-CZ2 4.01Å; I719-W810 HydrophobicContact CG2-CD2 4.11Å; I719-W810 HydrophobicContact CG2-CE3 3.74Å; I719-W810 HydrophobicContact CG2-CH2 4.03Å; I719-W810 HydrophobicContact CG2-CZ2 4.38Å; I719-W810 HydrophobicContact CG2-CZ3 3.7Å; I719-C813 HydrophobicContact CB-CB 4.33Å; I719-C813 HydrophobicContact CG2-CB 3.62Å
720E84.9Confident68.5Low101 Ų10178.1 Ų78.147%0.47239%0.386SS..EExtended strand (participates in β ladder)trans-140.5153.517362.6170.5-172.500112.1P717 Y740 Y741 T742P717-E720 HydrophobicContact CB-CB 4.4Å; P717-E720 HydrophobicContact CB-CG 4.48Å; P717-E720 HydrophobicContact CG-CG 4.42Å; E720-Y740 HydrophobicContact CB-CE1 3.91Å; E720-Y740 HydrophobicContact CG-CE1 4.31Å; E720-Y740 VanDerWaalsContact CG-OH 3.31Å; E720-Y740 WeakPolarHBondContact CG-OH 3.43Å; E720-Y740 PolarHBondContact OE1-OH 3.43Å; E720-Y740 WeakPolarHBondContact OE2-CE1 3.48Å; E720-Y740 PolarHBondContact OE2-OH 2.97Å; E720-Y741 CarbonylContact C-O 3.56Å; E720-Y741 VanDerWaalsContact CA-O 3.28Å; E720-Y741 WeakPolarHBondContact CA-O 3.46Å; E720-T742 HydrophobicContact CB-CG2 4.18Å
721G85.5Confident68Low15 Ų1580.2 Ų80.216%0.15539%0.391CS..EExtended strand (participates in β ladder)trans164.5-177.1-173.400000115.2Y740 Y741G721-Y740 WeakPolarHBondContact O-CA 3.49Å; G721-Y741 PolarHBondContact N-O 3.23Å; G721-Y741 PolarHBondContact O-N 2.98Å
722K86.7Confident67.2Low145 Ų14587.5 Ų87.563%0.6342%0.422SS*.EExtended strand (participates in β ladder)trans-98.2110.1-177.1-68.3169.3-174.2161.50110.7T738 R739 Y740K722-T738 HydrophobicContact CB-CG2 4.09Å; K722-R739 WeakPolarHBondContact CA-O 3.4Å; K722-Y740 HydrophobicContact CG-CD2 3.87Å; K722-Y740 HydrophobicContact CG-CE2 4.41Å
723L88.2Confident66.7Low1 Ų189.7 Ų89.71%0.00543%0.432CS..EExtended strand (participates in β ladder)trans-108.8148.6171.6-58.4176.7000110.5T738 R739 Y741 F788 L799 A801 W810L723-T738 WeakPolarHBondContact O-CA 3.49Å; L723-R739 PolarHBondContact N-O 2.92Å; L723-R739 PolarHBondContact O-N 3.48Å; L723-R739 VanDerWaalsContact O-O 3.12Å; L723-Y741 HydrophobicContact CB-CD2 3.69Å; L723-Y741 HydrophobicContact CB-CE2 4.05Å; L723-Y741 HydrophobicContact CD1-CD2 4.13Å; L723-Y741 HydrophobicContact CD1-CG 4.15Å; L723-Y741 HydrophobicContact CG-CD2 4.2Å; L723-F788 HydrophobicContact CD1-CZ 4.06Å; L723-L799 HydrophobicContact CD1-CB 4.3Å; L723-L799 HydrophobicContact CD1-CD1 3.82Å; L723-A801 HydrophobicContact CD2-CB 3.97Å; L723-W810 HydrophobicContact CD1-CD2 3.86Å; L723-W810 HydrophobicContact CD1-CE3 4.01Å; L723-W810 HydrophobicContact CD1-CG 4.38Å; L723-W810 HydrophobicContact CD1-CH2 4.36Å; L723-W810 HydrophobicContact CD1-CZ2 4.2Å; L723-W810 HydrophobicContact CD1-CZ3 4.26Å; L723-W810 HydrophobicContact CD2-CD2 4.37Å; L723-W810 HydrophobicContact CD2-CG 4.25Å; L723-W810 HydrophobicContact CG-CD2 4.44Å; L723-W810 HydrophobicContact CG-CZ2 4.35Å
724K86.2Confident66.4Low87 Ų8792.6 Ų92.638%0.37844%0.444SS..EExtended strand (participates in β ladder)trans-94.8107174.1-69.2172.1-177169.90108.8W736 T738 L799 K800K724-W736 HydrophobicContact CB-CB 4.49Å; K724-W736 HydrophobicContact CB-CE3 3.88Å; K724-W736 WeakPolarHBondContact O-CZ3 3.25Å; K724-T738 HydrophobicContact CG-CG2 4.44Å; K724-L799 CarbonylContact O-C 3.54Å; K724-K800 HydrophobicContact CB-CB 4.19Å; K724-K800 PolarHBondContact N-O 3.42Å; K724-K800 PolarHBondContact O-N 3.44Å
725E85.1Confident67Low6 Ų692.3 Ų92.33%0.02843%0.434CS..EExtended strand (participates in β ladder)trans-77.4130.5171.5-172.8-159.7-160.300109.4Q727 W736 K737 R739 K795 L799E725-Q727 PolarHBondContact O-N 3.36Å; E725-W736 CarbonylContact O-C 3.51Å; E725-W736 WeakPolarHBondContact O-CA 3.17Å; E725-K737 PolarHBondContact N-O 3.27Å; E725-K737 PolarHBondContact O-N 3.33Å; E725-R739 IonicContact OE1-NH2 3.72Å; E725-R739 IonicContact OE2-CZ 3.92Å; E725-R739 IonicContact OE2-NE 3.93Å; E725-R739 PolarHBondContact OE2-NE 3.26Å; E725-R739 IonicContact OE2-NH2 3.13Å; E725-R739 PolarHBondContact OE2-NH2 3.19Å; E725-K795 IonicContact OE1-NZ 2.77Å; E725-K795 PolarHBondContact OE1-NZ 3.29Å; E725-K795 VanDerWaalsContact OE1-NZ 3.14Å; E725-L799 HydrophobicContact CB-CD2 3.99Å; E725-L799 HydrophobicContact CG-CD2 4.08Å
726K81.4Confident68.1Low66 Ų6694.6 Ų94.629%0.28742%0.42SS..EExtended strand (participates in β ladder)trans-79.298170.1174.1-161.9176.9-1680108.6V728 W736 E789 V798K726-V728 HydrophobicContact CD-CG2 4.2Å; K726-V728 HydrophobicContact CG-CG2 4.03Å; K726-V728 PolarHBondContact O-N 2.95Å; K726-V728 VanDerWaalsContact O-N 3.15Å; K726-W736 HydrophobicContact CB-CD2 4.4Å; K726-W736 HydrophobicContact CB-CE3 3.9Å; K726-W736 HydrophobicContact CB-CH2 3.99Å; K726-W736 HydrophobicContact CB-CZ2 4.46Å; K726-W736 HydrophobicContact CB-CZ3 3.68Å; K726-E789 IonicContact NZ-OE1 2.59Å; K726-V798 HydrophobicContact CB-CB 4Å; K726-V798 HydrophobicContact CB-CG1 4.15Å; K726-V798 HydrophobicContact CD-CB 3.66Å; K726-V798 HydrophobicContact CD-CG1 3.56Å; K726-V798 HydrophobicContact CD-CG2 4.04Å; K726-V798 PolarHBondContact N-O 3.27Å
727Q70.4Confident68.9Low77 Ų7794.3 Ų94.336%0.3642%0.417SS..EExtended strand (participates in β ladder)trans-77.1102.1173.2-65.1-152.7-81.500110.1E725 R729 R735 K737E725-Q727 PolarHBondContact O-N 3.36Å; Q727-R729 PolarHBondContact O-N 3.18Å; Q727-R735 PolarHBondContact N-O 3.04Å; Q727-K737 HydrophobicContact CG-CB 4.2Å
728V53.5Low69.8Low86 Ų8695.7 Ų95.752%0.52143%0.425SS..EExtended strand (participates in β ladder)trans-85.790.3167.8-173.80000108K726K726-V728 HydrophobicContact CD-CG2 4.2Å; K726-V728 HydrophobicContact CG-CG2 4.03Å; K726-V728 PolarHBondContact O-N 2.95Å; K726-V728 VanDerWaalsContact O-N 3.15Å
729R42.3Very low70.1Confident220 Ų22095 Ų9583%0.8342%0.42SS*.SBendtrans-87.5-23.4168-161173.5-172.5173.54.4112Q727Q727-R729 PolarHBondContact O-N 3.18Å
730W44Very low70.1Confident159 Ų15998.6 Ų98.660%0.60243%0.432SS*.SBendtrans-151.1147.5172.7-59.4102000107.7F732 I733W730-F732 HydrophobicContact CB-CD2 4.46Å; W730-F732 PolarHBondContact O-N 3.27Å; W730-F732 VanDerWaalsContact O-N 3.1Å; W730-I733 PolarHBondContact O-N 2.87Å
731K48.9Very low70.1Confident99 Ų9993.8 Ų93.843%0.4341%0.409SS..SBendtrans-55.1-32-178.6-74.2-176.2177.8178.50113K734K731-K734 WeakPolarHBondContact O-CE 3.29Å
732F41.1Very low70.1Confident164 Ų16494.5 Ų94.572%0.71941%0.411SS*.SBendtrans-83.9-32-174.2-35-68.9000113.8W730 K734W730-F732 HydrophobicContact CB-CD2 4.46Å; W730-F732 PolarHBondContact O-N 3.27Å; W730-F732 VanDerWaalsContact O-N 3.1Å; F732-K734 PolarHBondContact O-N 2.92Å
733I44.4Very low70Confident88 Ų8887.7 Ų87.745%0.45138%0.381SS..  trans-102.285.5-173.7-56.6179.3000110.5W730 R735W730-I733 PolarHBondContact O-N 2.87Å; I733-R735 HydrophobicContact CG2-CG 4.07Å; I733-R735 PolarHBondContact O-N 3.33Å
734K53.3Low69.4Low153 Ų15388.6 Ų88.667%0.66539%0.389SS*.EExtended strand (participates in β ladder)trans-82.790.4-179.7-65.7163.6-172.61640111K731 F732K731-K734 WeakPolarHBondContact O-CE 3.29Å; F732-K734 PolarHBondContact O-N 2.92Å
735R68.1Low68.8Low183 Ų18386.1 Ų86.169%0.69139%0.389SS*.EExtended strand (participates in β ladder)trans-99.9126.6174.9-73.9180-178.3-176.91.7111.5Q727 I733Q727-R735 PolarHBondContact N-O 3.04Å; I733-R735 HydrophobicContact CG2-CG 4.07Å; I733-R735 PolarHBondContact O-N 3.33Å
736W78.1Confident68.4Low121 Ų12188.7 Ų88.746%0.45840%0.402SS..EExtended strand (participates in β ladder)trans-89.9125171.4-65.795000110K724 E725 K726 K800K724-W736 HydrophobicContact CB-CB 4.49Å; K724-W736 HydrophobicContact CB-CE3 3.88Å; K724-W736 WeakPolarHBondContact O-CZ3 3.25Å; E725-W736 CarbonylContact O-C 3.51Å; E725-W736 WeakPolarHBondContact O-CA 3.17Å; K726-W736 HydrophobicContact CB-CD2 4.4Å; K726-W736 HydrophobicContact CB-CE3 3.9Å; K726-W736 HydrophobicContact CB-CH2 3.99Å; K726-W736 HydrophobicContact CB-CZ2 4.46Å; K726-W736 HydrophobicContact CB-CZ3 3.68Å; W736-K800 HydrophobicContact CE3-CB 4.16Å; W736-K800 HydrophobicContact CH2-CB 3.93Å; W736-K800 HydrophobicContact CH2-CD 4.1Å; W736-K800 HydrophobicContact CZ2-CD 4.39Å; W736-K800 HydrophobicContact CZ3-CB 3.47Å; W736-K800 VanDerWaalsContact CZ3-CB 3.47Å; W736-K800 HydrophobicContact CZ3-CD 4.26Å; W736-K800 HydrophobicContact CZ3-CG 4.46Å
737K79.8Confident68.4Low87 Ų8789 Ų8938%0.37841%0.405SS..EExtended strand (participates in β ladder)trans-112.1112174.6-170.7170.1-175.9174.90109.1E725 Q727 R739E725-K737 PolarHBondContact N-O 3.27Å; E725-K737 PolarHBondContact O-N 3.33Å; Q727-K737 HydrophobicContact CG-CB 4.2Å; K737-R739 HydrophobicContact CG-CG 4.47Å; K737-R739 PolarHBondContact O-N 3.05Å
738T83.8Confident69.1Low82 Ų8285.3 Ų85.350%0.50339%0.388SS..EExtended strand (participates in β ladder)trans-64.2126.2170.1-46.20000108.9K722 L723 K724K722-T738 HydrophobicContact CB-CG2 4.09Å; L723-T738 WeakPolarHBondContact O-CA 3.49Å; K724-T738 HydrophobicContact CG-CG2 4.44Å
739R82.6Confident70.5Confident27 Ų2784.6 Ų84.610%0.10238%0.381CS..EExtended strand (participates in β ladder)trans-126.8159.4170-53-174.9-173.4-136.16.9109.2K722 L723 E725 K737 Y741 F750K722-R739 WeakPolarHBondContact CA-O 3.4Å; L723-R739 PolarHBondContact N-O 2.92Å; L723-R739 PolarHBondContact O-N 3.48Å; L723-R739 VanDerWaalsContact O-O 3.12Å; E725-R739 IonicContact OE1-NH2 3.72Å; E725-R739 IonicContact OE2-CZ 3.92Å; E725-R739 IonicContact OE2-NE 3.93Å; E725-R739 PolarHBondContact OE2-NE 3.26Å; E725-R739 IonicContact OE2-NH2 3.13Å; E725-R739 PolarHBondContact OE2-NH2 3.19Å; K737-R739 HydrophobicContact CG-CG 4.47Å; K737-R739 PolarHBondContact O-N 3.05Å; R739-Y741 HydrophobicContact CB-CD2 4.08Å; R739-Y741 HydrophobicContact CB-CE2 3.71Å; R739-Y741 HydrophobicContact CG-CE2 4.36Å; R739-F750 VanDerWaalsContact NH1-CD2 3.27Å
740Y83.1Confident72.3Confident103 Ų10375.3 Ų75.340%0.40435%0.346SS..EExtended strand (participates in β ladder)trans-87.7128.6164.9-157.6-96.9000108.2E720 G721 K722 F750E720-Y740 HydrophobicContact CB-CE1 3.91Å; E720-Y740 HydrophobicContact CG-CE1 4.31Å; E720-Y740 VanDerWaalsContact CG-OH 3.31Å; E720-Y740 WeakPolarHBondContact CG-OH 3.43Å; E720-Y740 PolarHBondContact OE1-OH 3.43Å; E720-Y740 WeakPolarHBondContact OE2-CE1 3.48Å; E720-Y740 PolarHBondContact OE2-OH 2.97Å; G721-Y740 WeakPolarHBondContact O-CA 3.49Å; K722-Y740 HydrophobicContact CG-CD2 3.87Å; K722-Y740 HydrophobicContact CG-CE2 4.41Å; Y740-F750 WeakPolarHBondContact O-CA 3.41Å; Y740-F750 WeakPolarHBondContact O-CB 3.5Å
741Y86.1Confident73.3Confident0 Ų077.2 Ų77.20%035%0.353CS..EExtended strand (participates in β ladder)trans-115.7145.3177.2-79.9-96000109.4E720 G721 L723 R739 L748 L749 F750 L799E720-Y741 CarbonylContact C-O 3.56Å; E720-Y741 VanDerWaalsContact CA-O 3.28Å; E720-Y741 WeakPolarHBondContact CA-O 3.46Å; G721-Y741 PolarHBondContact N-O 3.23Å; G721-Y741 PolarHBondContact O-N 2.98Å; L723-Y741 HydrophobicContact CB-CD2 3.69Å; L723-Y741 HydrophobicContact CB-CE2 4.05Å; L723-Y741 HydrophobicContact CD1-CD2 4.13Å; L723-Y741 HydrophobicContact CD1-CG 4.15Å; L723-Y741 HydrophobicContact CG-CD2 4.2Å; R739-Y741 HydrophobicContact CB-CD2 4.08Å; R739-Y741 HydrophobicContact CB-CE2 3.71Å; R739-Y741 HydrophobicContact CG-CE2 4.36Å; Y741-L748 HydrophobicContact CD1-CD1 3.86Å; Y741-L748 HydrophobicContact CD1-CD2 4.31Å; Y741-L748 HydrophobicContact CD1-CG 3.99Å; Y741-L749 CarbonylContact C-O 3.52Å; Y741-L749 VanDerWaalsContact CA-O 3.29Å; Y741-L749 WeakPolarHBondContact CA-O 3.25Å; Y741-F750 HydrophobicContact CD1-CB 3.77Å; Y741-F750 HydrophobicContact CD1-CD1 4.14Å; Y741-F750 HydrophobicContact CD1-CG 4.39Å; Y741-F750 HydrophobicContact CD2-CB 4.4Å; Y741-F750 HydrophobicContact CE1-CB 3.71Å; Y741-F750 AromaticContact CE1-CD1 3.47Å; Y741-F750 HydrophobicContact CE1-CD1 3.47Å; Y741-F750 VanDerWaalsContact CE1-CD1 3.47Å; Y741-F750 HydrophobicContact CE1-CE1 4.45Å; Y741-F750 AromaticContact CE1-CG 3.87Å; Y741-F750 HydrophobicContact CE1-CG 3.87Å; Y741-F750 HydrophobicContact CE2-CB 4.37Å; Y741-F750 HydrophobicContact CG-CB 4.12Å; Y741-L799 HydrophobicContact CE1-CD1 4.18Å; Y741-L799 HydrophobicContact CE1-CD2 4.31Å; Y741-L799 HydrophobicContact CE2-CD2 4.04Å; Y741-L799 WeakPolarHBondContact OH-CD2 3.44Å
742T84.9Confident73.7Confident31 Ų3177 Ų7719%0.1935%0.35CS..EExtended strand (participates in β ladder)trans-140.6114.9-178.4-58.10000108.2P717 E720 L749P717-T742 HydrophobicContact CB-CG2 3.69Å; E720-T742 HydrophobicContact CB-CG2 4.18Å; T742-L749 PolarHBondContact N-O 3.09Å; T742-L749 WeakPolarHBondContact O-CB 3.47Å; T742-L749 PolarHBondContact O-N 3.47Å
743L83.9Confident74Confident1 Ų171.8 Ų71.81%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-91.6115.4176.1-17470.7000108.8P717 L718 I719 L748 L766 W810 C813 I814 A817P717-L743 CarbonylContact C-O 3.59Å; P717-L743 WeakPolarHBondContact CA-O 3.49Å; L718-L743 HydrophobicContact CB-CD2 4.34Å; L718-L743 HydrophobicContact CD2-CD2 3.9Å; L718-L743 HydrophobicContact CG-CD2 4.29Å; L718-L743 PolarHBondContact N-O 2.97Å; I719-L743 HydrophobicContact CG2-CB 3.77Å; I719-L743 HydrophobicContact CG2-CD2 3.84Å; I719-L743 HydrophobicContact CG2-CG 4.47Å; I719-L743 PolarHBondContact O-N 2.89Å; L743-L748 HydrophobicContact CB-CD1 4.18Å; L743-L748 HydrophobicContact CD1-CB 3.85Å; L743-L748 HydrophobicContact CD1-CD1 4.17Å; L743-L766 HydrophobicContact CD1-CD1 3.69Å; L743-L766 HydrophobicContact CD1-CD2 4.09Å; L743-L766 HydrophobicContact CD1-CG 4.47Å; L743-W810 HydrophobicContact CB-CZ3 4.24Å; L743-C813 HydrophobicContact CD2-CB 3.87Å; L743-C813 WeakPolarHBondContact CD2-O 3.49Å; L743-I814 HydrophobicContact CD1-CG1 4.39Å; L743-I814 HydrophobicContact CD2-CG1 4.1Å; L743-A817 HydrophobicContact CD2-CB 4.21Å
744A77.2Confident73.8Confident21 Ų2177.9 Ų77.917%0.17437%0.366CS..EExtended strand (participates in β ladder)trans-143124.1-178.400000111N746 Q747A744-N746 PolarHBondContact O-N 3.24Å; A744-Q747 PolarHBondContact N-O 3.16Å; A744-Q747 PolarHBondContact O-N 3.07Å; A744-Q747 VanDerWaalsContact O-N 3.08Å; A744-Q747 VanDerWaalsContact O-O 3.12Å
745G73.8Confident73.2Confident35 Ų3574.3 Ų74.336%0.36136%0.36SS..THydrogen-bonded Turntrans54-125.1-176.500000112.7Q747G745-Q747 VanDerWaalsContact C-N 3.33Å; G745-Q747 PolarHBondContact O-N 3.32Å
746N75.5Confident71.8Confident59 Ų5974.5 Ų74.532%0.31637%0.366SS..THydrogen-bonded Turntrans-89.416.1180-16621.5000113.7A744 L766 S767 A821A744-N746 PolarHBondContact O-N 3.24Å; N746-L766 PolarHBondContact O-N 3.25Å; N746-L766 WeakPolarHBondContact OD1-CB 3.5Å; N746-L766 PolarHBondContact OD1-N 2.84Å; N746-S767 PolarHBondContact OD1-N 2.78Å; N746-A821 WeakPolarHBondContact OD1-CB 3.37Å
747Q82.4Confident70.1Confident72 Ų7276 Ų7634%0.33638%0.383SS..EExtended strand (participates in β ladder)trans-136.5135.8-175.4-66.9-175.6-3.100113.6A744 G745 L749 P763 I764A744-Q747 PolarHBondContact N-O 3.16Å; A744-Q747 PolarHBondContact O-N 3.07Å; A744-Q747 VanDerWaalsContact O-N 3.08Å; A744-Q747 VanDerWaalsContact O-O 3.12Å; G745-Q747 VanDerWaalsContact C-N 3.33Å; G745-Q747 PolarHBondContact O-N 3.32Å; Q747-L749 HydrophobicContact CB-CG 4.37Å; Q747-P763 HydrophobicContact CB-CB 4.22Å; Q747-P763 HydrophobicContact CG-CB 4.07Å; Q747-I764 WeakPolarHBondContact CA-O 3.44Å
748L84.5Confident68Low0 Ų077.9 Ų77.90%039%0.393CS..EExtended strand (participates in β ladder)trans-98.7103.6163.2173.761000109Y741 L743 I764 L766 I790 W810 I814Y741-L748 HydrophobicContact CD1-CD1 3.86Å; Y741-L748 HydrophobicContact CD1-CD2 4.31Å; Y741-L748 HydrophobicContact CD1-CG 3.99Å; L743-L748 HydrophobicContact CB-CD1 4.18Å; L743-L748 HydrophobicContact CD1-CB 3.85Å; L743-L748 HydrophobicContact CD1-CD1 4.17Å; L748-I764 HydrophobicContact CB-CB 4.08Å; L748-I764 HydrophobicContact CD2-CD1 4.19Å; L748-I764 HydrophobicContact CG-CD1 4.41Å; L748-I764 PolarHBondContact N-O 3.25Å; L748-I764 PolarHBondContact O-N 3Å; L748-I764 VanDerWaalsContact O-N 3.08Å; L748-L766 HydrophobicContact CB-CD2 4.07Å; L748-I790 HydrophobicContact CD2-CD1 3.53Å; L748-W810 HydrophobicContact CD1-CH2 4.35Å; L748-W810 HydrophobicContact CD1-CZ3 3.77Å; L748-I814 HydrophobicContact CD2-CD1 4.31Å
749L81.8Confident66.1Low72 Ų7281.6 Ų81.638%0.37741%0.409SS..EExtended strand (participates in β ladder)trans-89.3147.4-176.7-65.4162.7000111Y741 T742 Q747 P763Y741-L749 CarbonylContact C-O 3.52Å; Y741-L749 VanDerWaalsContact CA-O 3.29Å; Y741-L749 WeakPolarHBondContact CA-O 3.25Å; T742-L749 PolarHBondContact N-O 3.09Å; T742-L749 WeakPolarHBondContact O-CB 3.47Å; T742-L749 PolarHBondContact O-N 3.47Å; Q747-L749 HydrophobicContact CB-CG 4.37Å; L749-P763 HydrophobicContact CD2-CB 3.9Å
750F80.5Confident64.1Low25 Ų2585.5 Ų85.511%0.1143%0.432CS..EExtended strand (participates in β ladder)trans-147151.416461.3-95.6000109.5R739 Y740 Y741 R752 I764 Y797R739-F750 VanDerWaalsContact NH1-CD2 3.27Å; Y740-F750 WeakPolarHBondContact O-CA 3.41Å; Y740-F750 WeakPolarHBondContact O-CB 3.5Å; Y741-F750 HydrophobicContact CD1-CB 3.77Å; Y741-F750 HydrophobicContact CD1-CD1 4.14Å; Y741-F750 HydrophobicContact CD1-CG 4.39Å; Y741-F750 HydrophobicContact CD2-CB 4.4Å; Y741-F750 HydrophobicContact CE1-CB 3.71Å; Y741-F750 AromaticContact CE1-CD1 3.47Å; Y741-F750 HydrophobicContact CE1-CD1 3.47Å; Y741-F750 VanDerWaalsContact CE1-CD1 3.47Å; Y741-F750 HydrophobicContact CE1-CE1 4.45Å; Y741-F750 AromaticContact CE1-CG 3.87Å; Y741-F750 HydrophobicContact CE1-CG 3.87Å; Y741-F750 HydrophobicContact CE2-CB 4.37Å; Y741-F750 HydrophobicContact CG-CB 4.12Å; F750-R752 HydrophobicContact CE2-CG 4.44Å; F750-I764 HydrophobicContact CD1-CD1 4.44Å; F750-I764 HydrophobicContact CE1-CD1 4.16Å; F750-I764 HydrophobicContact CE1-CG1 4.21Å; F750-Y797 HydrophobicContact CE1-CE1 4.22Å
751R65.8Low62.7Low199 Ų19984.8 Ų84.875%0.75144%0.435SS*.  trans-98.1126.2178-172.8174.5-70147.20.6111.4G753R751-G753 PolarHBondContact O-N 3.04Å
752R57.2Low61.5Low94 Ų9489.7 Ų89.736%0.35546%0.46SS..  trans-65.9125.3165.2-70.9-172.5-161.5-150.411.6109.8F750 K754 E758 D760 D761F750-R752 HydrophobicContact CE2-CG 4.44Å; R752-K754 PolarHBondContact O-N 3.13Å; R752-K754 VanDerWaalsContact O-N 3.16Å; R752-E758 IonicContact CZ-OE2 2.7Å; R752-E758 IonicContact NH1-OE2 3.78Å; R752-E758 PolarHBondContact NH1-OE2 2.73Å; R752-D760 PolarHBondContact NE-O 3.08Å; R752-D760 PolarHBondContact NH2-O 3.38Å; R752-D761 WeakPolarHBondContact CB-OD1 3.44Å; R752-D761 WeakPolarHBondContact CG-OD1 3.27Å; R752-D761 PolarHBondContact N-OD1 3.06Å
753G47.4Very low61Low55 Ų5589.9 Ų89.957%0.56746%0.462SS*.  trans-76.2102.1-176.100000113.6R751 S755R751-G753 PolarHBondContact O-N 3.04Å; G753-S755 PolarHBondContact O-N 3.25Å
754K40.9Very low60.9Low215 Ų21590 Ų9094%0.93546%0.462SS*.SBendtrans33.263.4162.6-67.2-169.2178.5-176.20116.5R752R752-K754 PolarHBondContact O-N 3.13Å; R752-K754 VanDerWaalsContact O-N 3.16Å
755S39.2Very low61.2Low78 Ų7891.9 Ų91.955%0.54547%0.468SS..  trans-104.8134.9143.845.20000107.7G753G753-S755 PolarHBondContact O-N 3.25Å
756K40.4Very low61.6Low188 Ų18890.3 Ų90.382%0.81745%0.451SS*.SBendtrans-68.4155.1164.8-117.6-174.7174.3-1680108.6
757D40.5Very low61.7Low151 Ų15189 Ų8981%0.80745%0.446SS*.SBendtrans68.734.2163.1-42.3-28.9000116.9
758E37.2Very low61.7Low128 Ų12891.3 Ų91.360%0.59845%0.452SS*.  trans-120.6120.7146.9-80.2-174.6176.900108.5R752R752-E758 IonicContact CZ-OE2 2.7Å; R752-E758 IonicContact NH1-OE2 3.78Å; R752-E758 PolarHBondContact NH1-OE2 2.73Å
759L42.6Very low61.6Low159 Ų15991.3 Ų91.383%0.83245%0.452SS*.  trans-74.3166.9161.4-77.2161.8000109.5
760D42.3Very low61.4Low109 Ų10993.4 Ų93.458%0.58346%0.46SS*.  trans80.271.5175.6-51.4-15.9000117R752 I762R752-D760 PolarHBondContact NE-O 3.08Å; R752-D760 PolarHBondContact NH2-O 3.38Å; D760-I762 HydrophobicContact CB-CD1 4.31Å; D760-I762 HydrophobicContact CB-CG1 3.77Å; D760-I762 PolarHBondContact O-N 3.24Å
761D52.2Low61.4Low89 Ų8993.9 Ų93.948%0.47647%0.467SS..  trans-68.874146.5-86.2-36.5000108.9R752 P763R752-D761 WeakPolarHBondContact CB-OD1 3.44Å; R752-D761 WeakPolarHBondContact CG-OD1 3.27Å; R752-D761 PolarHBondContact N-OD1 3.06Å; D761-P763 WeakPolarHBondContact O-CD 3.45Å
762I61.4Low62.3Low102 Ų10285.3 Ų85.352%0.52344%0.436SS..  trans-66.9120.4178.9-50.7179.8000109.8D760D760-I762 HydrophobicContact CB-CD1 4.31Å; D760-I762 HydrophobicContact CB-CG1 3.77Å; D760-I762 PolarHBondContact O-N 3.24Å
763P75.3Confident63.5Low35 Ų3586.7 Ų86.723%0.22745%0.445CS..  trans-70149.7173.730.6-35000110.9Q747 L749 D761 E765Q747-P763 HydrophobicContact CB-CB 4.22Å; Q747-P763 HydrophobicContact CG-CB 4.07Å; L749-P763 HydrophobicContact CD2-CB 3.9Å; D761-P763 WeakPolarHBondContact O-CD 3.45Å; P763-E765 PolarHBondContact O-N 2.77Å
764I81.2Confident65Low4 Ų486 Ų862%0.02143%0.43CS..EExtended strand (participates in β ladder)trans-84.397.5168.2-58.5171.2000107Q747 L748 F750 V769 T792 Y797Q747-I764 WeakPolarHBondContact CA-O 3.44Å; L748-I764 HydrophobicContact CB-CB 4.08Å; L748-I764 HydrophobicContact CD2-CD1 4.19Å; L748-I764 HydrophobicContact CG-CD1 4.41Å; L748-I764 PolarHBondContact N-O 3.25Å; L748-I764 PolarHBondContact O-N 3Å; L748-I764 VanDerWaalsContact O-N 3.08Å; F750-I764 HydrophobicContact CD1-CD1 4.44Å; F750-I764 HydrophobicContact CE1-CD1 4.16Å; F750-I764 HydrophobicContact CE1-CG1 4.21Å; I764-V769 HydrophobicContact CG2-CG2 4.28Å; I764-T792 HydrophobicContact CG2-CG2 3.93Å; I764-Y797 HydrophobicContact CD1-CD1 3.69Å; I764-Y797 HydrophobicContact CD1-CD2 4.03Å; I764-Y797 HydrophobicContact CD1-CE1 3.59Å; I764-Y797 HydrophobicContact CD1-CE2 3.96Å; I764-Y797 HydrophobicContact CD1-CG 3.9Å; I764-Y797 HydrophobicContact CG1-CE1 4Å; I764-Y797 HydrophobicContact CG1-CE2 4.03Å
765E82.7Confident66.7Low61 Ų6178 Ų7829%0.28540%0.399SS..EExtended strand (participates in β ladder)trans-64.7131.4171.9-69.7172.1-154.300110.4P763 R768P763-E765 PolarHBondContact O-N 2.77Å; E765-R768 HydrophobicContact CB-CG 4.32Å; E765-R768 PolarHBondContact O-N 3.01Å; E765-R768 IonicContact OE1-CZ 2.66Å; E765-R768 IonicContact OE1-NH2 3.88Å; E765-R768 PolarHBondContact OE1-NH2 3.49Å; E765-R768 IonicContact OE2-CZ 3.18Å; E765-R768 IonicContact OE2-NE 2.79Å; E765-R768 PolarHBondContact OE2-NE 2.85Å; E765-R768 IonicContact OE2-NH2 2.63Å; E765-R768 PolarHBondContact OE2-NH2 3.39Å
766L83.1Confident67.6Low1 Ų178.7 Ų78.71%0.00541%0.409CS..SBendtrans-83.1-21.4-170.2-57.9175.7000113.7L743 N746 L748 R768 V769 A817 V818 A821L743-L766 HydrophobicContact CD1-CD1 3.69Å; L743-L766 HydrophobicContact CD1-CD2 4.09Å; L743-L766 HydrophobicContact CD1-CG 4.47Å; N746-L766 PolarHBondContact O-N 3.25Å; N746-L766 WeakPolarHBondContact OD1-CB 3.5Å; N746-L766 PolarHBondContact OD1-N 2.84Å; L748-L766 HydrophobicContact CB-CD2 4.07Å; L766-R768 VanDerWaalsContact C-N 3.28Å; L766-R768 PolarHBondContact O-N 3.5Å; L766-V769 HydrophobicContact CD2-CG2 4.21Å; L766-V769 WeakPolarHBondContact O-CB 3.41Å; L766-V769 PolarHBondContact O-N 3.46Å; L766-A817 HydrophobicContact CD1-CB 3.59Å; L766-V818 HydrophobicContact CB-CG2 4.09Å; L766-V818 HydrophobicContact CD2-CG2 4.23Å; L766-A821 HydrophobicContact CB-CB 4.04Å
767S77.8Confident68.4Low32 Ų3273.4 Ų73.422%0.22439%0.386CS..THydrogen-bonded Turntrans-58.4-41.3166.544.40000111.5N746 V769N746-S767 PolarHBondContact OD1-N 2.78Å; S767-V769 PolarHBondContact O-N 3.04Å
768R81.4Confident68.6Low120 Ų12076.2 Ų76.245%0.45339%0.391SS..THydrogen-bonded Turntrans-76.56.7177.9-57.5-163.5-142-158.68.6114.8E765 L766 Q770 T792 D793E765-R768 HydrophobicContact CB-CG 4.32Å; E765-R768 PolarHBondContact O-N 3.01Å; E765-R768 IonicContact OE1-CZ 2.66Å; E765-R768 IonicContact OE1-NH2 3.88Å; E765-R768 PolarHBondContact OE1-NH2 3.49Å; E765-R768 IonicContact OE2-CZ 3.18Å; E765-R768 IonicContact OE2-NE 2.79Å; E765-R768 PolarHBondContact OE2-NE 2.85Å; E765-R768 IonicContact OE2-NH2 2.63Å; E765-R768 PolarHBondContact OE2-NH2 3.39Å; L766-R768 VanDerWaalsContact C-N 3.28Å; L766-R768 PolarHBondContact O-N 3.5Å; R768-Q770 PolarHBondContact O-N 3.2Å; R768-T792 WeakPolarHBondContact O-CA 3.49Å; R768-T792 WeakPolarHBondContact O-CB 3.28Å; R768-T792 WeakPolarHBondContact O-CG2 3.33Å; R768-D793 WeakPolarHBondContact CB-OD2 3.33Å
769V82.8Confident69.1Low1 Ų181.5 Ų81.51%0.00641%0.405CS..EExtended strand (participates in β ladder)trans-86.9109.6174.1176.30000108.7I764 L766 S767 V772 I790 F791 T792 V818 R822I764-V769 HydrophobicContact CG2-CG2 4.28Å; L766-V769 HydrophobicContact CD2-CG2 4.21Å; L766-V769 WeakPolarHBondContact O-CB 3.41Å; L766-V769 PolarHBondContact O-N 3.46Å; S767-V769 PolarHBondContact O-N 3.04Å; V769-V772 HydrophobicContact CG1-CG2 3.67Å; V769-I790 HydrophobicContact CB-CG2 4.47Å; V769-I790 HydrophobicContact CG1-CG2 3.8Å; V769-I790 HydrophobicContact CG2-CG2 3.83Å; V769-F791 CarbonylContact C-O 3.5Å; V769-F791 WeakPolarHBondContact CA-O 3.43Å; V769-T792 HydrophobicContact CG2-CG2 3.94Å; V769-V818 HydrophobicContact CB-CG1 4.17Å; V769-V818 HydrophobicContact CB-CG2 3.78Å; V769-V818 HydrophobicContact CG1-CG1 4.29Å; V769-V818 HydrophobicContact CG1-CG2 3.87Å; V769-V818 HydrophobicContact CG2-CG2 4.12Å; V769-R822 PolarHBondContact O-NH2 2.67Å
770Q78.8Confident69.1Low115 Ų11585.8 Ų85.854%0.53741%0.41SS..EExtended strand (participates in β ladder)trans-73.9-45.5179-61.2-175.1-7.800111.6R768 F791 D793 R822R768-Q770 PolarHBondContact O-N 3.2Å; Q770-F791 PolarHBondContact N-O 3.23Å; Q770-D793 WeakPolarHBondContact CG-OD1 3.31Å; Q770-D793 PolarHBondContact NE2-OD1 2.9Å; Q770-R822 PolarHBondContact O-NH2 3.19Å
771S80.3Confident68.9Low36 Ų3686.7 Ų86.725%0.25242%0.415SS..EExtended strand (participates in β ladder)trans-155.8158.5174.266.50000112.6K773 F791S771-K773 WeakPolarHBondContact OG-CE 3.28Å; S771-F791 PolarHBondContact O-N 3.12Å
772V83.3Confident68.6Low18 Ų1894.7 Ų94.711%0.10944%0.439CS..EExtended strand (participates in β ladder)trans-124.3124.6170.4-170.30000107.7V769 F788 E789 I790 L811 I814V769-V772 HydrophobicContact CG1-CG2 3.67Å; V772-F788 HydrophobicContact CG1-CD2 4.39Å; V772-E789 WeakPolarHBondContact CA-O 3.38Å; V772-I790 HydrophobicContact CG1-CG1 4.23Å; V772-I790 HydrophobicContact CG2-CG2 4.43Å; V772-L811 HydrophobicContact CG1-CD2 3.59Å; V772-I814 HydrophobicContact CG2-CG2 3.87Å
773K82.3Confident68.3Low123 Ų12391.3 Ų91.354%0.53543%0.429SS..EExtended strand (participates in β ladder)trans-130.7147.9-173.5-62.1-179.8-179.9173.90110.6S771 F788 E789 F791S771-K773 WeakPolarHBondContact OG-CE 3.28Å; K773-F788 CarbonylContact O-C 3.57Å; K773-F788 WeakPolarHBondContact O-CA 3.24Å; K773-F788 WeakPolarHBondContact O-CB 3.39Å; K773-E789 PolarHBondContact N-O 2.93Å; K773-E789 PolarHBondContact O-N 3.49Å; K773-F791 HydrophobicContact CB-CE2 4.23Å; K773-F791 HydrophobicContact CD-CE2 4.05Å; K773-F791 HydrophobicContact CG-CE2 4.28Å
774V80.5Confident67.5Low41 Ų4191.8 Ų91.825%0.24843%0.429CS..EExtended strand (participates in β ladder)trans-89.2139.3178.5-1460000109.9A776 P785 A787 F788 L811V774-A776 PolarHBondContact O-N 3.44Å; V774-A776 VanDerWaalsContact O-N 3.1Å; V774-P785 HydrophobicContact CB-CG 4.24Å; V774-P785 HydrophobicContact CG1-CB 3.9Å; V774-P785 HydrophobicContact CG1-CG 3.67Å; V774-A787 WeakPolarHBondContact CG1-O 3.32Å; V774-F788 HydrophobicContact CG1-CB 4.42Å; V774-L811 HydrophobicContact CG1-CD1 3.95Å; V774-L811 HydrophobicContact CG2-CD1 3.91Å
775V75.6Confident66.9Low48 Ų4892.7 Ų92.729%0.29144%0.435SS..  trans-71.6107.9-174.4178.10000110.1K777 P785 A787 E789 V798V775-K777 PolarHBondContact O-N 3.17Å; V775-P785 WeakPolarHBondContact O-CB 3.4Å; V775-P785 WeakPolarHBondContact O-CG 3.14Å; V775-A787 HydrophobicContact CB-CB 4.24Å; V775-A787 WeakPolarHBondContact CB-O 3.48Å; V775-A787 HydrophobicContact CG2-CB 4.01Å; V775-A787 WeakPolarHBondContact CG2-O 3.38Å; V775-A787 PolarHBondContact N-O 2.89Å; V775-E789 HydrophobicContact CG2-CG 3.45Å; V775-E789 VanDerWaalsContact CG2-CG 3.45Å; V775-V798 HydrophobicContact CG2-CG1 4.2Å
776A57.8Low66.8Low91 Ų9195.3 Ų95.375%0.75244%0.443SS*.PPolyproline II helixtrans-51.8126-177.400000113.1V774V774-A776 PolarHBondContact O-N 3.44Å; V774-A776 VanDerWaalsContact O-N 3.1Å
777K56.8Low66.8Low77 Ų7795.9 Ų95.934%0.33545%0.448SS..PPolyproline II helixtrans-70.5138.2175.5-74.5179.6-178.4176.40110.4V775 R779 D781 G783 L784 P785 E804V775-K777 PolarHBondContact O-N 3.17Å; K777-R779 PolarHBondContact O-N 3.04Å; K777-D781 HydrophobicContact CD-CB 3.87Å; K777-G783 VanDerWaalsContact CE-O 3.32Å; K777-G783 WeakPolarHBondContact CE-O 3.29Å; K777-G783 VanDerWaalsContact NZ-C 3.26Å; K777-G783 PolarHBondContact NZ-O 3.09Å; K777-L784 VanDerWaalsContact CE-O 3.28Å; K777-L784 WeakPolarHBondContact CE-O 3.36Å; K777-L784 PolarHBondContact NZ-O 3.03Å; K777-P785 HydrophobicContact CG-CB 4.23Å; K777-P785 HydrophobicContact CG-CG 4.17Å; K777-E804 IonicContact NZ-OE2 2.68Å
778K45.9Very low67.2Low210 Ų21094.4 Ų94.491%0.91344%0.437SS*.PPolyproline II helixtrans-65.3120.9163-74.9-166.9173.1-167.40108.6R780K778-R780 PolarHBondContact O-N 3.42Å; K778-R780 VanDerWaalsContact O-N 3.13Å
779R47.2Very low67.5Low240 Ų24090.8 Ų90.891%0.90643%0.425SS*.SBendtrans-18.898.2179.8-58.7176.3-177.3171.30.1115.6K777K777-R779 PolarHBondContact O-N 3.04Å
780R42.2Very low67.7Low248 Ų24890.8 Ų90.894%0.93643%0.425SS*.SBendtrans177.7-22.9143.2-100.2161-161.4-130.82.5117K778K778-R780 PolarHBondContact O-N 3.42Å; K778-R780 VanDerWaalsContact O-N 3.13Å
781D38.1Very low67.9Low128 Ų12887.8 Ų87.868%0.68441%0.411SS*.  trans-93.7138.1179.8-90-28.6000113.3K777K777-D781 HydrophobicContact CD-CB 3.87Å
782R46.5Very low68Low258 Ų25887.1 Ų87.197%0.97441%0.405SS*.  trans-88.2-15.1-176.3-74-174.5175.4176.7-1.8116.5
783G55.1Low67.6Low30 Ų3090.2 Ų90.231%0.30942%0.421SS..SBendtrans-77168.2178.800000113.9K777 E804K777-G783 VanDerWaalsContact CE-O 3.32Å; K777-G783 WeakPolarHBondContact CE-O 3.29Å; K777-G783 VanDerWaalsContact NZ-C 3.26Å; K777-G783 PolarHBondContact NZ-O 3.09Å; G783-E804 VanDerWaalsContact C-OE1 3.32Å; G783-E804 WeakPolarHBondContact CA-OE1 3.35Å
784L57.6Low67.2Low46 Ų4691.5 Ų91.524%0.24143%0.434CS..PPolyproline II helixtrans-57.1146.7169.7-91.9151.2000111.9K777 E804 E808K777-L784 VanDerWaalsContact CE-O 3.28Å; K777-L784 WeakPolarHBondContact CE-O 3.36Å; K777-L784 PolarHBondContact NZ-O 3.03Å; L784-E804 HydrophobicContact CB-CG 3.53Å; L784-E804 PolarHBondContact N-OE1 3.06Å; L784-E804 PolarHBondContact N-OE2 3.13Å; L784-E804 VanDerWaalsContact O-OE2 3.05Å; L784-E808 HydrophobicContact CD1-CB 4.35Å; L784-E808 HydrophobicContact CD1-CG 4.31Å
785P68.4Low67.1Low23 Ų2393.7 Ų93.715%0.14944%0.44CS..PPolyproline II helixtrans-71.9127.9171.4-9.521000112.3V774 V775 K777 A787V774-P785 HydrophobicContact CB-CG 4.24Å; V774-P785 HydrophobicContact CG1-CB 3.9Å; V774-P785 HydrophobicContact CG1-CG 3.67Å; V775-P785 WeakPolarHBondContact O-CB 3.4Å; V775-P785 WeakPolarHBondContact O-CG 3.14Å; K777-P785 HydrophobicContact CG-CB 4.23Å; K777-P785 HydrophobicContact CG-CG 4.17Å; P785-A787 PolarHBondContact O-N 2.98Å
786R80.8Confident67.5Low116 Ų11694.4 Ų94.444%0.43844%0.444SS..SBendtrans-59.33.6172.2-68.4169.461.5-174.73.6114.8K800 A801 E802R786-K800 CarbonylContact O-C 3.58Å; R786-K800 VanDerWaalsContact O-CA 3.32Å; R786-K800 WeakPolarHBondContact O-CA 3.49Å; R786-K800 WeakPolarHBondContact O-CG 3.49Å; R786-A801 PolarHBondContact O-N 3.12Å; R786-E802 PolarHBondContact NE-O 3.28Å; R786-E802 PolarHBondContact NH2-O 3.16Å
787A83.7Confident68.7Low13 Ų1391.2 Ų91.211%0.10741%0.413CS..EExtended strand (participates in β ladder)trans-140.6142.7-17400000111.3V774 V775 P785 L799 K800V774-A787 WeakPolarHBondContact CG1-O 3.32Å; V775-A787 HydrophobicContact CB-CB 4.24Å; V775-A787 WeakPolarHBondContact CB-O 3.48Å; V775-A787 HydrophobicContact CG2-CB 4.01Å; V775-A787 WeakPolarHBondContact CG2-O 3.38Å; V775-A787 PolarHBondContact N-O 2.89Å; P785-A787 PolarHBondContact O-N 2.98Å; A787-L799 CarbonylContact C-O 3.59Å; A787-L799 WeakPolarHBondContact CA-O 3.25Å; A787-L799 WeakPolarHBondContact CB-O 3.19Å; A787-K800 HydrophobicContact CB-CB 3.96Å; A787-K800 HydrophobicContact CB-CG 4.36Å
788F86Confident70.2Confident0 Ų088.2 Ų88.20%040%0.401CS..EExtended strand (participates in β ladder)trans-142.3161.4-175.956.6-91000111.2L723 V772 K773 V774 I790 V798 L799 W810 L811 I814L723-F788 HydrophobicContact CD1-CZ 4.06Å; V772-F788 HydrophobicContact CG1-CD2 4.39Å; K773-F788 CarbonylContact O-C 3.57Å; K773-F788 WeakPolarHBondContact O-CA 3.24Å; K773-F788 WeakPolarHBondContact O-CB 3.39Å; V774-F788 HydrophobicContact CG1-CB 4.42Å; F788-I790 HydrophobicContact CD2-CG1 4.27Å; F788-I790 HydrophobicContact CE2-CD1 4.3Å; F788-I790 HydrophobicContact CE2-CG1 4.28Å; F788-V798 CarbonylContact O-C 3.56Å; F788-V798 WeakPolarHBondContact O-CA 3.5Å; F788-L799 HydrophobicContact CD2-CB 4.35Å; F788-L799 HydrophobicContact CE1-CB 4.46Å; F788-L799 HydrophobicContact CE2-CB 3.94Å; F788-L799 HydrophobicContact CE2-CD1 3.94Å; F788-L799 HydrophobicContact CE2-CG 4.38Å; F788-L799 HydrophobicContact CZ-CB 4Å; F788-L799 HydrophobicContact CZ-CD1 4.29Å; F788-L799 PolarHBondContact N-O 3.16Å; F788-L799 PolarHBondContact O-N 2.96Å; F788-W810 HydrophobicContact CE1-CB 4.06Å; F788-W810 HydrophobicContact CZ-CB 3.9Å; F788-L811 HydrophobicContact CB-CD1 4.19Å; F788-L811 HydrophobicContact CB-CD2 3.79Å; F788-L811 HydrophobicContact CB-CG 4.21Å; F788-L811 HydrophobicContact CD1-CD1 4.28Å; F788-L811 HydrophobicContact CD1-CD2 4.46Å; F788-L811 HydrophobicContact CD1-CG 4.09Å; F788-L811 HydrophobicContact CD2-CD2 4.14Å; F788-L811 HydrophobicContact CG-CD1 4.4Å; F788-L811 HydrophobicContact CG-CD2 3.91Å; F788-L811 HydrophobicContact CG-CG 4.06Å; F788-I814 HydrophobicContact CE2-CD1 3.79Å; F788-I814 HydrophobicContact CZ-CD1 4.23Å
789E87.4Confident72.2Confident44 Ų4478.2 Ų78.221%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-124.1121.6-175.2-46.1-158.9141.600109K726 V772 K773 V775 F791 T796 Y797 V798K726-E789 IonicContact NZ-OE1 2.59Å; V772-E789 WeakPolarHBondContact CA-O 3.38Å; K773-E789 PolarHBondContact N-O 2.93Å; K773-E789 PolarHBondContact O-N 3.49Å; V775-E789 HydrophobicContact CG2-CG 3.45Å; V775-E789 VanDerWaalsContact CG2-CG 3.45Å; E789-F791 HydrophobicContact CB-CD2 4.44Å; E789-F791 HydrophobicContact CB-CE2 3.68Å; E789-F791 HydrophobicContact CB-CZ 4.08Å; E789-T796 HydrophobicContact CB-CG2 4.04Å; E789-Y797 WeakPolarHBondContact CA-O 3.3Å; E789-V798 HydrophobicContact CB-CG2 4.24Å; E789-V798 HydrophobicContact CG-CB 4.25Å; E789-V798 HydrophobicContact CG-CG1 4Å; E789-V798 HydrophobicContact CG-CG2 3.75Å; E789-V798 WeakPolarHBondContact OE1-CG1 3.18Å; E789-V798 WeakPolarHBondContact OE1-CG2 3.43Å
790I86.8Confident74.1Confident1 Ų169.9 Ų69.91%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-96.5120.4172.2-53.6173.2000106.8L748 V769 V772 F788 T792 T796 Y797 L799 I814L748-I790 HydrophobicContact CD2-CD1 3.53Å; V769-I790 HydrophobicContact CB-CG2 4.47Å; V769-I790 HydrophobicContact CG1-CG2 3.8Å; V769-I790 HydrophobicContact CG2-CG2 3.83Å; V772-I790 HydrophobicContact CG1-CG1 4.23Å; V772-I790 HydrophobicContact CG2-CG2 4.43Å; F788-I790 HydrophobicContact CD2-CG1 4.27Å; F788-I790 HydrophobicContact CE2-CD1 4.3Å; F788-I790 HydrophobicContact CE2-CG1 4.28Å; I790-T792 HydrophobicContact CG2-CG2 4.43Å; I790-T796 CarbonylContact O-C 3.57Å; I790-T796 WeakPolarHBondContact O-CA 3.5Å; I790-Y797 PolarHBondContact N-O 3Å; I790-Y797 PolarHBondContact O-N 3.09Å; I790-L799 HydrophobicContact CD1-CD1 3.85Å; I790-I814 HydrophobicContact CD1-CD1 3.99Å
791F82.8Confident76.3Confident53 Ų5358.2 Ų58.223%0.23229%0.285CS..EExtended strand (participates in β ladder)trans-98114.8176-65.5-96.5000109V769 Q770 S771 K773 E789 T796V769-F791 CarbonylContact C-O 3.5Å; V769-F791 WeakPolarHBondContact CA-O 3.43Å; Q770-F791 PolarHBondContact N-O 3.23Å; S771-F791 PolarHBondContact O-N 3.12Å; K773-F791 HydrophobicContact CB-CE2 4.23Å; K773-F791 HydrophobicContact CD-CE2 4.05Å; K773-F791 HydrophobicContact CG-CE2 4.28Å; E789-F791 HydrophobicContact CB-CD2 4.44Å; E789-F791 HydrophobicContact CB-CE2 3.68Å; E789-F791 HydrophobicContact CB-CZ 4.08Å; F791-T796 HydrophobicContact CD1-CG2 3.74Å; F791-T796 WeakPolarHBondContact CD1-OG1 3.43Å; F791-T796 HydrophobicContact CD2-CG2 4.42Å; F791-T796 HydrophobicContact CE1-CG2 3.49Å; F791-T796 VanDerWaalsContact CE1-CG2 3.49Å; F791-T796 HydrophobicContact CE2-CG2 4.21Å; F791-T796 HydrophobicContact CG-CG2 4.19Å; F791-T796 HydrophobicContact CZ-CG2 3.73Å
792T82.7Confident78.5Confident22 Ų2258.4 Ų58.414%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-109.5160.6162.673.40000110.4I764 R768 V769 I790 N794 K795 Y797I764-T792 HydrophobicContact CG2-CG2 3.93Å; R768-T792 WeakPolarHBondContact O-CA 3.49Å; R768-T792 WeakPolarHBondContact O-CB 3.28Å; R768-T792 WeakPolarHBondContact O-CG2 3.33Å; V769-T792 HydrophobicContact CG2-CG2 3.94Å; I790-T792 HydrophobicContact CG2-CG2 4.43Å; T792-N794 PolarHBondContact O-N 2.79Å; T792-K795 PolarHBondContact N-O 2.78Å; T792-K795 PolarHBondContact O-N 3.43Å; T792-K795 PolarHBondContact OG1-O 3.26Å; T792-Y797 HydrophobicContact CG2-CE2 4.5Å
793D76.1Confident80.3Confident83 Ų8349 Ų4944%0.44425%0.251SS..THydrogen-bonded Turntrans-45-39.9-176.1-39.8-50000113.5R768 Q770R768-D793 WeakPolarHBondContact CB-OD2 3.33Å; Q770-D793 WeakPolarHBondContact CG-OD1 3.31Å; Q770-D793 PolarHBondContact NE2-OD1 2.9Å
794N73.4Confident81.6Confident150 Ų15051.2 Ų51.280%0.80225%0.253SS*.THydrogen-bonded Turntrans-101.3-11.7-175.3-61-3.9000114.2T792T792-N794 PolarHBondContact O-N 2.79Å
795K79.1Confident82.8Confident86 Ų8655 Ų5537%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-166.2137.2-173-177.5174.7169.3-148.90114.7E725 T792 Y797E725-K795 IonicContact OE1-NZ 2.77Å; E725-K795 PolarHBondContact OE1-NZ 3.29Å; E725-K795 VanDerWaalsContact OE1-NZ 3.14Å; T792-K795 PolarHBondContact N-O 2.78Å; T792-K795 PolarHBondContact O-N 3.43Å; T792-K795 PolarHBondContact OG1-O 3.26Å; K795-Y797 HydrophobicContact CB-CD2 4.36Å; K795-Y797 HydrophobicContact CB-CE2 3.86Å; K795-Y797 HydrophobicContact CD-CD1 4.35Å; K795-Y797 HydrophobicContact CD-CD2 4.25Å; K795-Y797 HydrophobicContact CD-CE1 3.94Å; K795-Y797 HydrophobicContact CD-CE2 3.81Å; K795-Y797 HydrophobicContact CG-CD2 4.04Å; K795-Y797 HydrophobicContact CG-CE2 3.83Å; K795-Y797 VanDerWaalsContact NZ-CD1 3.26Å
796T82.6Confident83.6Confident63 Ų6357.7 Ų57.739%0.38728%0.278SS..EExtended strand (participates in β ladder)trans-84.6127.7161-41.10000112E789 I790 F791 V798E789-T796 HydrophobicContact CB-CG2 4.04Å; I790-T796 CarbonylContact O-C 3.57Å; I790-T796 WeakPolarHBondContact O-CA 3.5Å; F791-T796 HydrophobicContact CD1-CG2 3.74Å; F791-T796 WeakPolarHBondContact CD1-OG1 3.43Å; F791-T796 HydrophobicContact CD2-CG2 4.42Å; F791-T796 HydrophobicContact CE1-CG2 3.49Å; F791-T796 VanDerWaalsContact CE1-CG2 3.49Å; F791-T796 HydrophobicContact CE2-CG2 4.21Å; F791-T796 HydrophobicContact CG-CG2 4.19Å; F791-T796 HydrophobicContact CZ-CG2 3.73Å; T796-V798 HydrophobicContact CG2-CG2 4.28Å
797Y84.6Confident83.8Confident25 Ų2552.2 Ų52.210%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-108.7112.3173.6-65.4-104.4000110.2F750 I764 E789 I790 T792 K795F750-Y797 HydrophobicContact CE1-CE1 4.22Å; I764-Y797 HydrophobicContact CD1-CD1 3.69Å; I764-Y797 HydrophobicContact CD1-CD2 4.03Å; I764-Y797 HydrophobicContact CD1-CE1 3.59Å; I764-Y797 HydrophobicContact CD1-CE2 3.96Å; I764-Y797 HydrophobicContact CD1-CG 3.9Å; I764-Y797 HydrophobicContact CG1-CE1 4Å; I764-Y797 HydrophobicContact CG1-CE2 4.03Å; E789-Y797 WeakPolarHBondContact CA-O 3.3Å; I790-Y797 PolarHBondContact N-O 3Å; I790-Y797 PolarHBondContact O-N 3.09Å; T792-Y797 HydrophobicContact CG2-CE2 4.5Å; K795-Y797 HydrophobicContact CB-CD2 4.36Å; K795-Y797 HydrophobicContact CB-CE2 3.86Å; K795-Y797 HydrophobicContact CD-CD1 4.35Å; K795-Y797 HydrophobicContact CD-CD2 4.25Å; K795-Y797 HydrophobicContact CD-CE1 3.94Å; K795-Y797 HydrophobicContact CD-CE2 3.81Å; K795-Y797 HydrophobicContact CG-CD2 4.04Å; K795-Y797 HydrophobicContact CG-CE2 3.83Å; K795-Y797 VanDerWaalsContact NZ-CD1 3.26Å
798V86.8Confident83.8Confident14 Ų1456 Ų569%0.08527%0.273CS..EExtended strand (participates in β ladder)trans-98.8111.7178.6-1770000109.7K726 V775 F788 E789 T796K726-V798 HydrophobicContact CB-CB 4Å; K726-V798 HydrophobicContact CB-CG1 4.15Å; K726-V798 HydrophobicContact CD-CB 3.66Å; K726-V798 HydrophobicContact CD-CG1 3.56Å; K726-V798 HydrophobicContact CD-CG2 4.04Å; K726-V798 PolarHBondContact N-O 3.27Å; V775-V798 HydrophobicContact CG2-CG1 4.2Å; F788-V798 CarbonylContact O-C 3.56Å; F788-V798 WeakPolarHBondContact O-CA 3.5Å; E789-V798 HydrophobicContact CB-CG2 4.24Å; E789-V798 HydrophobicContact CG-CB 4.25Å; E789-V798 HydrophobicContact CG-CG1 4Å; E789-V798 HydrophobicContact CG-CG2 3.75Å; E789-V798 WeakPolarHBondContact OE1-CG1 3.18Å; E789-V798 WeakPolarHBondContact OE1-CG2 3.43Å; T796-V798 HydrophobicContact CG2-CG2 4.28Å
799L87.8Confident83.7Confident0 Ų059 Ų590%029%0.287CS..EExtended strand (participates in β ladder)trans-112.1152.7-174.1-55.1-175.7000110.6L723 K724 E725 Y741 A787 F788 I790L723-L799 HydrophobicContact CD1-CB 4.3Å; L723-L799 HydrophobicContact CD1-CD1 3.82Å; K724-L799 CarbonylContact O-C 3.54Å; E725-L799 HydrophobicContact CB-CD2 3.99Å; E725-L799 HydrophobicContact CG-CD2 4.08Å; Y741-L799 HydrophobicContact CE1-CD1 4.18Å; Y741-L799 HydrophobicContact CE1-CD2 4.31Å; Y741-L799 HydrophobicContact CE2-CD2 4.04Å; Y741-L799 WeakPolarHBondContact OH-CD2 3.44Å; A787-L799 CarbonylContact C-O 3.59Å; A787-L799 WeakPolarHBondContact CA-O 3.25Å; A787-L799 WeakPolarHBondContact CB-O 3.19Å; F788-L799 HydrophobicContact CD2-CB 4.35Å; F788-L799 HydrophobicContact CE1-CB 4.46Å; F788-L799 HydrophobicContact CE2-CB 3.94Å; F788-L799 HydrophobicContact CE2-CD1 3.94Å; F788-L799 HydrophobicContact CE2-CG 4.38Å; F788-L799 HydrophobicContact CZ-CB 4Å; F788-L799 HydrophobicContact CZ-CD1 4.29Å; F788-L799 PolarHBondContact N-O 3.16Å; F788-L799 PolarHBondContact O-N 2.96Å; I790-L799 HydrophobicContact CD1-CD1 3.85Å
800K88.4Confident83.8Confident65 Ų6557.3 Ų57.328%0.28328%0.279SS..EExtended strand (participates in β ladder)trans-137.4126.5177.5169.9163.4-173.2171.80111.4K724 W736 R786 A787K724-K800 HydrophobicContact CB-CB 4.19Å; K724-K800 PolarHBondContact N-O 3.42Å; K724-K800 PolarHBondContact O-N 3.44Å; W736-K800 HydrophobicContact CE3-CB 4.16Å; W736-K800 HydrophobicContact CH2-CB 3.93Å; W736-K800 HydrophobicContact CH2-CD 4.1Å; W736-K800 HydrophobicContact CZ2-CD 4.39Å; W736-K800 HydrophobicContact CZ3-CB 3.47Å; W736-K800 VanDerWaalsContact CZ3-CB 3.47Å; W736-K800 HydrophobicContact CZ3-CD 4.26Å; W736-K800 HydrophobicContact CZ3-CG 4.46Å; R786-K800 CarbonylContact O-C 3.58Å; R786-K800 VanDerWaalsContact O-CA 3.32Å; R786-K800 WeakPolarHBondContact O-CA 3.49Å; R786-K800 WeakPolarHBondContact O-CG 3.49Å; A787-K800 HydrophobicContact CB-CB 3.96Å; A787-K800 HydrophobicContact CB-CG 4.36Å
801A88.2Confident83.7Confident3 Ų357.3 Ų57.33%0.02528%0.278CS..  trans-84.1174.5179.300000112.8L723 R786 H806 A807L723-A801 HydrophobicContact CD2-CB 3.97Å; R786-A801 PolarHBondContact O-N 3.12Å; A801-H806 HydrophobicContact CB-CB 4.15Å; A801-A807 HydrophobicContact CB-CB 3.91Å
802E84.1Confident83.8Confident132 Ų13257.9 Ų57.962%0.61728%0.282SS*.SBendtrans-62.9-54.8175.2-172.497.7-125.100110.4R786R786-E802 PolarHBondContact NE-O 3.28Å; R786-E802 PolarHBondContact NH2-O 3.16Å
803D83.3Confident83.9Confident61 Ų6158 Ų5833%0.32628%0.283SS..SBendtrans-135-165.1179.461.940.3000111.8K805 H806 A807D803-K805 PolarHBondContact OD1-N 3.21Å; D803-H806 IonicContact OD1-CG 2.77Å; D803-H806 PolarHBondContact OD1-N 3.49Å; D803-H806 IonicContact OD1-ND1 3.64Å; D803-H806 PolarHBondContact OD1-ND1 3.41Å; D803-H806 IonicContact OD2-CE1 2.83Å; D803-H806 PolarHBondContact OD2-CE1 2.99Å; D803-H806 IonicContact OD2-ND1 2.98Å; D803-H806 PolarHBondContact OD2-ND1 3Å; D803-A807 PolarHBondContact O-N 3.1Å
804E82.7Confident84.4Confident76 Ų7654 Ų5436%0.35526%0.262SS..Hα-helixtrans-76.4-43.5-176.9-164.1161.8128.700112K777 G783 L784 A807 E808K777-E804 IonicContact NZ-OE2 2.68Å; G783-E804 VanDerWaalsContact C-OE1 3.32Å; G783-E804 WeakPolarHBondContact CA-OE1 3.35Å; L784-E804 HydrophobicContact CB-CG 3.53Å; L784-E804 PolarHBondContact N-OE1 3.06Å; L784-E804 PolarHBondContact N-OE2 3.13Å; L784-E804 VanDerWaalsContact O-OE2 3.05Å; E804-A807 WeakPolarHBondContact O-CB 3.46Å; E804-A807 PolarHBondContact O-N 3.34Å; E804-A807 VanDerWaalsContact O-N 3.14Å; E804-E808 PolarHBondContact O-N 3.12Å
805K83.8Confident85Confident126 Ų12647.8 Ų47.855%0.54823%0.229SC..Hα-helixtrans-64.8-44.5178.9-178.4175.4-177.5-79.20111.8D803 A807 E808 E809D803-K805 PolarHBondContact OD1-N 3.21Å; K805-A807 VanDerWaalsContact C-N 3.27Å; K805-A807 PolarHBondContact O-N 3.17Å; K805-E808 WeakPolarHBondContact O-CB 3.48Å; K805-E808 PolarHBondContact O-N 3.18Å; K805-E809 IonicContact NZ-OE1 3.58Å; K805-E809 PolarHBondContact NZ-OE1 3.07Å; K805-E809 WeakPolarHBondContact O-CG 3.38Å; K805-E809 PolarHBondContact O-N 3.25Å
806H84.2Confident85.1Confident79 Ų7943.8 Ų43.837%0.36621%0.211SC..Hα-helixtrans-64.9-31.6174.5-69.294000111.7A801 D803 E809 W810A801-H806 HydrophobicContact CB-CB 4.15Å; D803-H806 IonicContact OD1-CG 2.77Å; D803-H806 PolarHBondContact OD1-N 3.49Å; D803-H806 IonicContact OD1-ND1 3.64Å; D803-H806 PolarHBondContact OD1-ND1 3.41Å; D803-H806 IonicContact OD2-CE1 2.83Å; D803-H806 PolarHBondContact OD2-CE1 2.99Å; D803-H806 IonicContact OD2-ND1 2.98Å; D803-H806 PolarHBondContact OD2-ND1 3Å; H806-E809 IonicContact CD2-OE2 2.9Å; H806-W810 WeakPolarHBondContact O-CB 3.32Å; H806-W810 PolarHBondContact O-N 2.95Å; H806-W810 VanDerWaalsContact O-N 3.07Å
807A85.8Confident85.1Confident1 Ų141 Ų411%0.00819%0.194CC..Hα-helixtrans-66.6-42.4174.300000111.3A801 D803 E804 K805 L811A801-A807 HydrophobicContact CB-CB 3.91Å; D803-A807 PolarHBondContact O-N 3.1Å; E804-A807 WeakPolarHBondContact O-CB 3.46Å; E804-A807 PolarHBondContact O-N 3.34Å; E804-A807 VanDerWaalsContact O-N 3.14Å; K805-A807 VanDerWaalsContact C-N 3.27Å; K805-A807 PolarHBondContact O-N 3.17Å; A807-L811 WeakPolarHBondContact O-CB 3.3Å; A807-L811 WeakPolarHBondContact O-CD1 3.16Å; A807-L811 VanDerWaalsContact O-CG 3.27Å; A807-L811 WeakPolarHBondContact O-CG 3.39Å; A807-L811 PolarHBondContact O-N 3.22Å
808E83.2Confident85.1Confident93 Ų9340.2 Ų40.244%0.43519%0.192SC..Hα-helixtrans-62.6-48.4175.7-174.4175.2-150.900112.5L784 E804 K805 W810 L811 Q812L784-E808 HydrophobicContact CD1-CB 4.35Å; L784-E808 HydrophobicContact CD1-CG 4.31Å; E804-E808 PolarHBondContact O-N 3.12Å; K805-E808 WeakPolarHBondContact O-CB 3.48Å; K805-E808 PolarHBondContact O-N 3.18Å; E808-W810 PolarHBondContact O-N 3.12Å; E808-L811 PolarHBondContact O-N 3.39Å; E808-Q812 PolarHBondContact O-N 3.22Å
809E85.1Confident84.8Confident63 Ų6340.3 Ų40.329%0.29419%0.194SC..Hα-helixtrans-57.5-47.7175.3-72.8171.2170.700112I719 K805 H806 L811 Q812 C813I719-E809 HydrophobicContact CD1-CB 4.21Å; K805-E809 IonicContact NZ-OE1 3.58Å; K805-E809 PolarHBondContact NZ-OE1 3.07Å; K805-E809 WeakPolarHBondContact O-CG 3.38Å; K805-E809 PolarHBondContact O-N 3.25Å; H806-E809 IonicContact CD2-OE2 2.9Å; E809-L811 VanDerWaalsContact C-N 3.35Å; E809-L811 PolarHBondContact O-N 3.46Å; E809-Q812 PolarHBondContact O-N 3.3Å; E809-C813 WeakPolarHBondContact O-CB 3.43Å; E809-C813 PolarHBondContact O-N 3.34Å; E809-C813 PolarHBondContact O-SG 3.24Å; E809-C813 VanDerWaalsContact O-SG 3.37Å
810W87.9Confident84.4Confident8 Ų841.4 Ų41.43%0.0320%0.199CC..Hα-helixtrans-61.9-41175.7-90.295.6000112.4I719 L723 L743 L748 F788 H806 E808 I814I719-W810 HydrophobicContact CD1-CD2 3.95Å; I719-W810 HydrophobicContact CD1-CG 3.89Å; I719-W810 HydrophobicContact CG1-CD2 4.19Å; I719-W810 HydrophobicContact CG1-CH2 4.47Å; I719-W810 HydrophobicContact CG1-CZ2 4.01Å; I719-W810 HydrophobicContact CG2-CD2 4.11Å; I719-W810 HydrophobicContact CG2-CE3 3.74Å; I719-W810 HydrophobicContact CG2-CH2 4.03Å; I719-W810 HydrophobicContact CG2-CZ2 4.38Å; I719-W810 HydrophobicContact CG2-CZ3 3.7Å; L723-W810 HydrophobicContact CD1-CD2 3.86Å; L723-W810 HydrophobicContact CD1-CE3 4.01Å; L723-W810 HydrophobicContact CD1-CG 4.38Å; L723-W810 HydrophobicContact CD1-CH2 4.36Å; L723-W810 HydrophobicContact CD1-CZ2 4.2Å; L723-W810 HydrophobicContact CD1-CZ3 4.26Å; L723-W810 HydrophobicContact CD2-CD2 4.37Å; L723-W810 HydrophobicContact CD2-CG 4.25Å; L723-W810 HydrophobicContact CG-CD2 4.44Å; L723-W810 HydrophobicContact CG-CZ2 4.35Å; L743-W810 HydrophobicContact CB-CZ3 4.24Å; L748-W810 HydrophobicContact CD1-CH2 4.35Å; L748-W810 HydrophobicContact CD1-CZ3 3.77Å; F788-W810 HydrophobicContact CE1-CB 4.06Å; F788-W810 HydrophobicContact CZ-CB 3.9Å; H806-W810 WeakPolarHBondContact O-CB 3.32Å; H806-W810 PolarHBondContact O-N 2.95Å; H806-W810 VanDerWaalsContact O-N 3.07Å; E808-W810 PolarHBondContact O-N 3.12Å; W810-I814 HydrophobicContact CE3-CD1 4Å; W810-I814 HydrophobicContact CE3-CG1 4.36Å; W810-I814 WeakPolarHBondContact O-CB 3.41Å; W810-I814 WeakPolarHBondContact O-CD1 3.37Å; W810-I814 WeakPolarHBondContact O-CG1 3.24Å; W810-I814 PolarHBondContact O-N 3.42Å
811L86.1Confident84Confident0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-65.6-45.9178.5-81.9160.6000112V772 V774 F788 A807 E808 E809 I814 N815V772-L811 HydrophobicContact CG1-CD2 3.59Å; V774-L811 HydrophobicContact CG1-CD1 3.95Å; V774-L811 HydrophobicContact CG2-CD1 3.91Å; F788-L811 HydrophobicContact CB-CD1 4.19Å; F788-L811 HydrophobicContact CB-CD2 3.79Å; F788-L811 HydrophobicContact CB-CG 4.21Å; F788-L811 HydrophobicContact CD1-CD1 4.28Å; F788-L811 HydrophobicContact CD1-CD2 4.46Å; F788-L811 HydrophobicContact CD1-CG 4.09Å; F788-L811 HydrophobicContact CD2-CD2 4.14Å; F788-L811 HydrophobicContact CG-CD1 4.4Å; F788-L811 HydrophobicContact CG-CD2 3.91Å; F788-L811 HydrophobicContact CG-CG 4.06Å; A807-L811 WeakPolarHBondContact O-CB 3.3Å; A807-L811 WeakPolarHBondContact O-CD1 3.16Å; A807-L811 VanDerWaalsContact O-CG 3.27Å; A807-L811 WeakPolarHBondContact O-CG 3.39Å; A807-L811 PolarHBondContact O-N 3.22Å; E808-L811 PolarHBondContact O-N 3.39Å; E809-L811 VanDerWaalsContact C-N 3.35Å; E809-L811 PolarHBondContact O-N 3.46Å; L811-I814 PolarHBondContact O-N 2.98Å; L811-N815 VanDerWaalsContact O-CB 3.3Å; L811-N815 WeakPolarHBondContact O-CB 3.35Å; L811-N815 PolarHBondContact O-N 3.16Å; L811-N815 PolarHBondContact O-ND2 3.26Å
812Q83.8Confident83.5Confident66 Ų6643.6 Ų43.631%0.30821%0.206SC..Hα-helixtrans-60.9-49.8176.8-176.2173.460.800111.1F700 E808 E809 I814 N815 V816F700-Q812 HydrophobicContact CD2-CG 4.38Å; F700-Q812 HydrophobicContact CE2-CG 4.11Å; E808-Q812 PolarHBondContact O-N 3.22Å; E809-Q812 PolarHBondContact O-N 3.3Å; Q812-I814 PolarHBondContact O-N 3.36Å; Q812-N815 PolarHBondContact O-N 2.88Å; Q812-V816 HydrophobicContact CG-CG2 4.38Å; Q812-V816 WeakPolarHBondContact O-CB 3.12Å; Q812-V816 VanDerWaalsContact O-CG2 3.27Å; Q812-V816 WeakPolarHBondContact O-CG2 3.4Å; Q812-V816 PolarHBondContact O-N 3.06Å
813C85Confident83Confident23 Ų2337.6 Ų37.616%0.15518%0.178CC..Hα-helixtrans-60.2-42179.1-72.20000112.8L718 I719 L743 E809 A817L718-C813 HydrophobicContact CD2-CB 4.13Å; L718-C813 HydrophobicContact CG-CB 4.13Å; I719-C813 HydrophobicContact CB-CB 4.33Å; I719-C813 HydrophobicContact CG2-CB 3.62Å; L743-C813 HydrophobicContact CD2-CB 3.87Å; L743-C813 WeakPolarHBondContact CD2-O 3.49Å; E809-C813 WeakPolarHBondContact O-CB 3.43Å; E809-C813 PolarHBondContact O-N 3.34Å; E809-C813 PolarHBondContact O-SG 3.24Å; E809-C813 VanDerWaalsContact O-SG 3.37Å; C813-A817 WeakPolarHBondContact O-CB 3.29Å; C813-A817 PolarHBondContact O-N 2.93Å; C813-A817 VanDerWaalsContact O-N 3.08Å
814I86.8Confident82.5Confident0 Ų038.6 Ų38.60%018%0.178CC..Hα-helixtrans-68-47.1177-64.9164.7000110.6L743 L748 V772 F788 I790 W810 L811 Q812 V816 A817 V818L743-I814 HydrophobicContact CD1-CG1 4.39Å; L743-I814 HydrophobicContact CD2-CG1 4.1Å; L748-I814 HydrophobicContact CD2-CD1 4.31Å; V772-I814 HydrophobicContact CG2-CG2 3.87Å; F788-I814 HydrophobicContact CE2-CD1 3.79Å; F788-I814 HydrophobicContact CZ-CD1 4.23Å; I790-I814 HydrophobicContact CD1-CD1 3.99Å; W810-I814 HydrophobicContact CE3-CD1 4Å; W810-I814 HydrophobicContact CE3-CG1 4.36Å; W810-I814 WeakPolarHBondContact O-CB 3.41Å; W810-I814 WeakPolarHBondContact O-CD1 3.37Å; W810-I814 WeakPolarHBondContact O-CG1 3.24Å; W810-I814 PolarHBondContact O-N 3.42Å; L811-I814 PolarHBondContact O-N 2.98Å; Q812-I814 PolarHBondContact O-N 3.36Å; I814-V816 VanDerWaalsContact C-N 3.34Å; I814-V816 PolarHBondContact O-N 3.09Å; I814-A817 PolarHBondContact O-N 2.92Å; I814-V818 HydrophobicContact CG2-CG2 4.07Å; I814-V818 VanDerWaalsContact O-CG2 3.3Å; I814-V818 WeakPolarHBondContact O-CG2 3.49Å; I814-V818 PolarHBondContact O-N 3.02Å
815N85.1Confident81.9Confident20 Ų2040 Ų4011%0.10718%0.184CC..Hα-helixtrans-59.6-44.2-179.8-79.3-22.4000111.7D686 L687 L811 Q812 V818 A819D686-N815 HydrophobicContact CB-CB 4.35Å; D686-N815 PolarHBondContact OD2-ND2 3.18Å; L687-N815 HydrophobicContact CD2-CB 4.12Å; L811-N815 VanDerWaalsContact O-CB 3.3Å; L811-N815 WeakPolarHBondContact O-CB 3.35Å; L811-N815 PolarHBondContact O-N 3.16Å; L811-N815 PolarHBondContact O-ND2 3.26Å; Q812-N815 PolarHBondContact O-N 2.88Å; N815-V818 PolarHBondContact O-N 3.29Å; N815-A819 WeakPolarHBondContact O-CB 3.45Å; N815-A819 PolarHBondContact O-N 3.35Å
816V82.9Confident81.1Confident1 Ų138 Ų381%0.00618%0.18CC..Hα-helixtrans-60.5-45.2174.8167.30000111.6L600 L687 F700 M701 Q812 I814 A819 Q820L600-V816 HydrophobicContact CD1-CG1 4.41Å; L687-V816 HydrophobicContact CD2-CG2 4.12Å; F700-V816 HydrophobicContact CB-CG2 3.87Å; F700-V816 HydrophobicContact CD1-CG1 3.91Å; F700-V816 HydrophobicContact CD1-CG2 3.94Å; F700-V816 HydrophobicContact CD2-CG2 4.11Å; F700-V816 HydrophobicContact CE1-CG1 4.4Å; F700-V816 HydrophobicContact CG-CG1 4.46Å; F700-V816 HydrophobicContact CG-CG2 3.71Å; M701-V816 HydrophobicContact CE-CG1 3.39Å; M701-V816 HydrophobicContact SD-CG1 4.37Å; Q812-V816 HydrophobicContact CG-CG2 4.38Å; Q812-V816 WeakPolarHBondContact O-CB 3.12Å; Q812-V816 VanDerWaalsContact O-CG2 3.27Å; Q812-V816 WeakPolarHBondContact O-CG2 3.4Å; Q812-V816 PolarHBondContact O-N 3.06Å; I814-V816 VanDerWaalsContact C-N 3.34Å; I814-V816 PolarHBondContact O-N 3.09Å; V816-A819 PolarHBondContact O-N 2.94Å; V816-Q820 WeakPolarHBondContact O-CB 3.5Å; V816-Q820 PolarHBondContact O-N 2.95Å
817A82.5Confident80Confident4 Ų438.2 Ų38.23%0.03318%0.177CC..Hα-helixtrans-70.5-35.1-179.500000113.2L718 L743 L766 C813 I814 Q820 A821L718-A817 HydrophobicContact CD2-CB 4.32Å; L743-A817 HydrophobicContact CD2-CB 4.21Å; L766-A817 HydrophobicContact CD1-CB 3.59Å; C813-A817 WeakPolarHBondContact O-CB 3.29Å; C813-A817 PolarHBondContact O-N 2.93Å; C813-A817 VanDerWaalsContact O-N 3.08Å; I814-A817 PolarHBondContact O-N 2.92Å; A817-Q820 PolarHBondContact O-N 3.18Å; A817-A821 WeakPolarHBondContact O-CB 3.39Å; A817-A821 PolarHBondContact O-N 3.23Å
818V84.3Confident78.8Confident10 Ų1044.1 Ų44.16%0.06121%0.205CC..Hα-helixtrans-67.5-42.2173.6171.80000111.3L766 V769 I814 N815 Q820 A821 R822L766-V818 HydrophobicContact CB-CG2 4.09Å; L766-V818 HydrophobicContact CD2-CG2 4.23Å; V769-V818 HydrophobicContact CB-CG1 4.17Å; V769-V818 HydrophobicContact CB-CG2 3.78Å; V769-V818 HydrophobicContact CG1-CG1 4.29Å; V769-V818 HydrophobicContact CG1-CG2 3.87Å; V769-V818 HydrophobicContact CG2-CG2 4.12Å; I814-V818 HydrophobicContact CG2-CG2 4.07Å; I814-V818 VanDerWaalsContact O-CG2 3.3Å; I814-V818 WeakPolarHBondContact O-CG2 3.49Å; I814-V818 PolarHBondContact O-N 3.02Å; N815-V818 PolarHBondContact O-N 3.29Å; V818-Q820 VanDerWaalsContact C-N 3.3Å; V818-Q820 PolarHBondContact O-N 2.87Å; V818-A821 PolarHBondContact O-N 3.22Å; V818-R822 WeakPolarHBondContact O-CG 3.47Å; V818-R822 PolarHBondContact O-N 2.95Å; V818-R822 VanDerWaalsContact O-N 3.13Å
819A80.4Confident77.5Confident15 Ų1542.5 Ų42.512%0.12421%0.207CC..Hα-helixtrans-60-42.5173.300000111.4L687 N815 V816 E823L687-A819 HydrophobicContact CD2-CB 4.05Å; N815-A819 WeakPolarHBondContact O-CB 3.45Å; N815-A819 PolarHBondContact O-N 3.35Å; V816-A819 PolarHBondContact O-N 2.94Å; A819-E823 PolarHBondContact O-N 3.05Å; A819-E823 VanDerWaalsContact O-N 3.1Å
820Q78.5Confident75.8Confident23 Ų2343 Ų4311%0.10721%0.214CC..Hα-helixtrans-67.2-36.5176.8-166179.80.400113.1L600 N712 V816 A817 V818 E823 R824L600-Q820 HydrophobicContact CD2-CB 3.79Å; L600-Q820 HydrophobicContact CD2-CG 4.27Å; N712-Q820 PolarHBondContact ND2-NE2 3.2Å; N712-Q820 PolarHBondContact OD1-NE2 2.85Å; V816-Q820 WeakPolarHBondContact O-CB 3.5Å; V816-Q820 PolarHBondContact O-N 2.95Å; A817-Q820 PolarHBondContact O-N 3.18Å; V818-Q820 VanDerWaalsContact C-N 3.3Å; V818-Q820 PolarHBondContact O-N 2.87Å; Q820-E823 PolarHBondContact O-N 3.16Å; Q820-R824 WeakPolarHBondContact O-CG 3.31Å; Q820-R824 PolarHBondContact O-N 3.16Å
821A79.6Confident73.9Confident5 Ų547.5 Ų47.54%0.04124%0.243CC..Hα-helixtrans-61.5-48.9175.800000111.6N746 L766 A817 V818 E823 R824 E825N746-A821 WeakPolarHBondContact OD1-CB 3.37Å; L766-A821 HydrophobicContact CB-CB 4.04Å; A817-A821 WeakPolarHBondContact O-CB 3.39Å; A817-A821 PolarHBondContact O-N 3.23Å; V818-A821 PolarHBondContact O-N 3.22Å; A821-E823 VanDerWaalsContact C-N 3.34Å; A821-E823 PolarHBondContact O-N 3.3Å; A821-R824 WeakPolarHBondContact O-CB 3.35Å; A821-R824 PolarHBondContact O-N 3.04Å; A821-R824 VanDerWaalsContact O-N 3.14Å; A821-E825 PolarHBondContact O-N 3.21Å
822R78.1Confident71.7Confident109 Ų10957.4 Ų57.441%0.41128%0.282SS..Hα-helixtrans-62.6-38.2177.1-66174.6-178.5-169.60.2112.6V769 Q770 V818 E825 N826V769-R822 PolarHBondContact O-NH2 2.67Å; Q770-R822 PolarHBondContact O-NH2 3.19Å; V818-R822 WeakPolarHBondContact O-CG 3.47Å; V818-R822 PolarHBondContact O-N 2.95Å; V818-R822 VanDerWaalsContact O-N 3.13Å; R822-E825 PolarHBondContact O-N 3.35Å; R822-N826 WeakPolarHBondContact O-CB 3.35Å; R822-N826 VanDerWaalsContact O-CG 3.24Å; R822-N826 PolarHBondContact O-N 2.84Å; R822-N826 PolarHBondContact O-ND2 3.2Å
823E73.1Confident69.2Low6 Ų664.4 Ų64.43%0.02832%0.32CS..Hα-helixtrans-69-29.8175.217568.2-170.600112.4S604 A819 Q820 A821 R827S604-E823 WeakPolarHBondContact CB-OE2 3.34Å; S604-E823 PolarHBondContact OG-OE2 3.24Å; A819-E823 PolarHBondContact O-N 3.05Å; A819-E823 VanDerWaalsContact O-N 3.1Å; Q820-E823 PolarHBondContact O-N 3.16Å; A821-E823 VanDerWaalsContact C-N 3.34Å; A821-E823 PolarHBondContact O-N 3.3Å; E823-R827 WeakPolarHBondContact O-CD 3.39Å; E823-R827 WeakPolarHBondContact O-CG 3.42Å; E823-R827 PolarHBondContact O-N 2.82Å; E823-R827 IonicContact OE1-CZ 2.73Å; E823-R827 VanDerWaalsContact OE1-CZ 3.28Å; E823-R827 IonicContact OE1-NE 3.53Å; E823-R827 PolarHBondContact OE1-NE 3.38Å; E823-R827 IonicContact OE1-NH2 3.3Å; E823-R827 PolarHBondContact OE1-NH2 3.24Å
824R73.1Confident68.5Low83 Ų8366.5 Ų66.531%0.31333%0.328SS..Hα-helixtrans-68.1-48.5169.9-72.5179.3-178.6-157.60.7111.4N712 Q820 A821 N826 R827 E828N712-R824 PolarHBondContact OD1-NH2 3.05Å; Q820-R824 WeakPolarHBondContact O-CG 3.31Å; Q820-R824 PolarHBondContact O-N 3.16Å; A821-R824 WeakPolarHBondContact O-CB 3.35Å; A821-R824 PolarHBondContact O-N 3.04Å; A821-R824 VanDerWaalsContact O-N 3.14Å; R824-N826 VanDerWaalsContact C-N 3.33Å; R824-N826 PolarHBondContact O-N 3.35Å; R824-R827 WeakPolarHBondContact O-CA 3.43Å; R824-R827 WeakPolarHBondContact O-CB 3.4Å; R824-R827 PolarHBondContact O-N 2.94Å; R824-E828 PolarHBondContact O-N 3.32Å
825E71.3Confident67.5Low104 Ų10469.9 Ų69.949%0.48635%0.346SS..Hα-helixtrans-57.7-43.8177.2-173.3167.9-160.100112A821 R822 R827 E828 A829A821-E825 PolarHBondContact O-N 3.21Å; R822-E825 PolarHBondContact O-N 3.35Å; E825-R827 VanDerWaalsContact C-N 3.32Å; E825-R827 PolarHBondContact O-N 3.11Å; E825-E828 PolarHBondContact O-N 2.81Å; E825-A829 WeakPolarHBondContact O-CB 3.34Å; E825-A829 PolarHBondContact O-N 3.22Å
826N65.7Low66.5Low86 Ų8672.7 Ų72.746%0.4636%0.359SS..Hα-helixtrans-62.1-34.1172.5-74.3-30.5000113.4R822 R824 T830R822-N826 WeakPolarHBondContact O-CB 3.35Å; R822-N826 VanDerWaalsContact O-CG 3.24Å; R822-N826 PolarHBondContact O-N 2.84Å; R822-N826 PolarHBondContact O-ND2 3.2Å; R824-N826 VanDerWaalsContact C-N 3.33Å; R824-N826 PolarHBondContact O-N 3.35Å; N826-T830 WeakPolarHBondContact O-CB 3.41Å; N826-T830 WeakPolarHBondContact O-CG2 3.43Å; N826-T830 PolarHBondContact O-N 3.38Å; N826-T830 VanDerWaalsContact O-N 3.08Å; N826-T830 PolarHBondContact O-OG1 2.65Å
827R62.8Low65.6Low83 Ų8376.9 Ų76.931%0.31338%0.38SS..Hα-helixtrans-72.2-39.4176.3-74166.4-170.4-163.59.7111.8C599 E823 R824 E825 T830 T831C599-R827 PolarHBondContact O-NH2 3.21Å; E823-R827 WeakPolarHBondContact O-CD 3.39Å; E823-R827 WeakPolarHBondContact O-CG 3.42Å; E823-R827 PolarHBondContact O-N 2.82Å; E823-R827 IonicContact OE1-CZ 2.73Å; E823-R827 VanDerWaalsContact OE1-CZ 3.28Å; E823-R827 IonicContact OE1-NE 3.53Å; E823-R827 PolarHBondContact OE1-NE 3.38Å; E823-R827 IonicContact OE1-NH2 3.3Å; E823-R827 PolarHBondContact OE1-NH2 3.24Å; R824-R827 WeakPolarHBondContact O-CA 3.43Å; R824-R827 WeakPolarHBondContact O-CB 3.4Å; R824-R827 PolarHBondContact O-N 2.94Å; E825-R827 VanDerWaalsContact C-N 3.32Å; E825-R827 PolarHBondContact O-N 3.11Å; R827-T830 PolarHBondContact O-OG1 3.07Å; R827-T831 PolarHBondContact O-N 2.69Å; R827-T831 PolarHBondContact O-OG1 2.75Å
828E59.6Low64.5Low125 Ų12581.5 Ų81.558%0.58440%0.401SS*.Hα-helixtrans-67.1-48.1176-71.2168.7-149.200110.6R824 E825 T830 T831 Y832R824-E828 PolarHBondContact O-N 3.32Å; E825-E828 PolarHBondContact O-N 2.81Å; E828-T830 VanDerWaalsContact C-N 3.31Å; E828-T830 PolarHBondContact O-N 3Å; E828-T831 WeakPolarHBondContact O-CB 3.3Å; E828-T831 PolarHBondContact O-N 3.09Å; E828-Y832 VanDerWaalsContact O-CD2 3.25Å; E828-Y832 WeakPolarHBondContact O-CD2 3.41Å
829A55.1Low63.2Low58 Ų5886.3 Ų86.348%0.47942%0.424SS..Hα-helixtrans-57.8-39.7174.500000113.1E825 T831 Y832E825-A829 WeakPolarHBondContact O-CB 3.34Å; E825-A829 PolarHBondContact O-N 3.22Å; A829-T831 PolarHBondContact O-N 2.98Å; A829-Y832 PolarHBondContact O-N 3.3Å
830T50.3Low61.9Low73 Ų7391.4 Ų91.445%0.44845%0.445SS..THydrogen-bonded Turntrans-81.416.8175.756.50000114.6K603 N826 R827 E828K603-T830 PolarHBondContact NZ-OG1 2.85Å; N826-T830 WeakPolarHBondContact O-CB 3.41Å; N826-T830 WeakPolarHBondContact O-CG2 3.43Å; N826-T830 PolarHBondContact O-N 3.38Å; N826-T830 VanDerWaalsContact O-N 3.08Å; N826-T830 PolarHBondContact O-OG1 2.65Å; R827-T830 PolarHBondContact O-OG1 3.07Å; E828-T830 VanDerWaalsContact C-N 3.31Å; E828-T830 PolarHBondContact O-N 3Å
831T46.9Very low60.7Low104 Ų10496.6 Ų96.664%0.63847%0.471SS*.THydrogen-bonded Turntrans-114-6.5172.3-54.90000112.2R827 E828 A829R827-T831 PolarHBondContact O-N 2.69Å; R827-T831 PolarHBondContact O-OG1 2.75Å; E828-T831 WeakPolarHBondContact O-CB 3.3Å; E828-T831 PolarHBondContact O-N 3.09Å; A829-T831 PolarHBondContact O-N 2.98Å
832Y40.2Very low59.1Low207 Ų207104.3 Ų104.381%0.81251%0.507SS*.  trans-108.712.1176.2-67-73.8000113.7E828 A829E828-Y832 VanDerWaalsContact O-CD2 3.25Å; E828-Y832 WeakPolarHBondContact O-CD2 3.41Å; A829-Y832 PolarHBondContact O-N 3.3Å
833L33Very low57.4Low213 Ų213103.8 Ų103.8100%1.11552%0.516SS*.  trans-127.80174.9-71172.8000109.7

Retrieved 833 of 833 residues in 239.5 ms (Link to these results)

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