A0A093HUH3_STRCA Loading...

N-sulfoglucosamine sulfohydrolase

AlphaFold DB , UniProt , Accession A0A093HUH3, Species STRCA (Struthio camelus australis), Gene n/a, Length 469 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
1G51.8Low90.3Very high11 Ų1142.6 Ų42.611%0.11328%0.277CS..  0-34.7000000113.1E3 P260G1-E3 VanDerWaalsContact C-N 3.27Å; G1-E3 PolarHBondContact N-OE2 2.99Å; G1-P260 WeakPolarHBondContact O-CG 3.36Å
2V79.6Confident90.8Very high60 Ų6039.8 Ų39.836%0.36426%0.257SS..  trans-78.8-9.2176.2-63.80000113.1S4 Y7 P260V2-S4 PolarHBondContact O-N 2.71Å; V2-Y7 HydrophobicContact CB-CG 4.46Å; V2-Y7 VanDerWaalsContact O-CB 3.29Å; V2-Y7 WeakPolarHBondContact O-CB 3.4Å; V2-P260 HydrophobicContact CG1-CB 4.47Å
3E91.6Very high91.3Very high11 Ų1146.7 Ų46.75%0.05128%0.284CS..  trans-72.277.3173-54.471.8-153.400109.8G1 I12 Y207 I210G1-E3 VanDerWaalsContact C-N 3.27Å; G1-E3 PolarHBondContact N-OE2 2.99Å; E3-I12 HydrophobicContact CB-CD1 4.33Å; E3-Y207 HydrophobicContact CB-CE1 4.26Å; E3-Y207 HydrophobicContact CG-CE1 3.97Å; E3-I210 HydrophobicContact CB-CD1 3.76Å; E3-I210 HydrophobicContact CG-CD1 4.15Å
4S96.4Very high91.8Very high1 Ų143.4 Ų43.41%0.00726%0.264CS..SBendtrans-154.4157.4178.859.70000111.2V2 A6 Y7 N8 N9 T14V2-S4 PolarHBondContact O-N 2.71Å; S4-A6 PolarHBondContact O-N 3.46Å; S4-Y7 CarbonylContact O-C 3.57Å; S4-Y7 PolarHBondContact O-N 3.31Å; S4-N8 PolarHBondContact O-N 3.11Å; S4-N9 WeakPolarHBondContact O-CB 3.42Å; S4-N9 PolarHBondContact O-N 2.91Å; S4-T14 VanDerWaalsContact CA-OG1 3.29Å; S4-T14 WeakPolarHBondContact CA-OG1 3.34Å; S4-T14 VanDerWaalsContact CB-OG1 3.26Å; S4-T14 WeakPolarHBondContact CB-OG1 3.43Å
5G96.3Very high92.3Very high26 Ų2645.1 Ų45.127%0.26828%0.277SS..G310 helixtrans-59.5-35.517300000112.3Y7 N8 T14 D18G5-Y7 PolarHBondContact O-N 3.24Å; G5-Y7 VanDerWaalsContact O-N 3.13Å; G5-N8 PolarHBondContact O-N 3.29Å; G5-T14 PolarHBondContact N-OG1 3.49Å; G5-D18 VanDerWaalsContact CA-OD1 3.26Å; G5-D18 WeakPolarHBondContact CA-OD1 3.3Å; G5-D18 PolarHBondContact N-OD1 3.06Å
6A96.3Very high92.7Very high23 Ų2345.3 Ų45.319%0.1928%0.275CS..G310 helixtrans-55.6-25.8173.200000114.4S4 D18 A21S4-A6 PolarHBondContact O-N 3.46Å; A6-D18 PolarHBondContact N-OD1 3.31Å; A6-A21 HydrophobicContact CB-CB 3.65Å
7Y97.4Very high93Very high30 Ų3042.6 Ų42.612%0.11826%0.259CS..G310 helixtrans-111.827.8175.7-78.2-86.4000112.1V2 S4 G5 N9 V26 F27 P260 L261 L262V2-Y7 HydrophobicContact CB-CG 4.46Å; V2-Y7 VanDerWaalsContact O-CB 3.29Å; V2-Y7 WeakPolarHBondContact O-CB 3.4Å; S4-Y7 CarbonylContact O-C 3.57Å; S4-Y7 PolarHBondContact O-N 3.31Å; G5-Y7 PolarHBondContact O-N 3.24Å; G5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-N9 VanDerWaalsContact C-N 3.28Å; Y7-N9 PolarHBondContact O-N 3.17Å; Y7-V26 HydrophobicContact CE1-CG1 4.12Å; Y7-V26 HydrophobicContact CE2-CG1 4.1Å; Y7-F27 PolarHBondContact OH-O 3.44Å; Y7-P260 HydrophobicContact CD2-CB 4.2Å; Y7-P260 HydrophobicContact CE2-CB 3.49Å; Y7-P260 VanDerWaalsContact CE2-CB 3.49Å; Y7-P260 WeakPolarHBondContact OH-CA 3.32Å; Y7-L261 PolarHBondContact OH-N 3.2Å; Y7-L261 PolarHBondContact OH-O 3.42Å; Y7-L262 HydrophobicContact CE2-CD1 3.7Å
8N95.9Very high93.3Very high141 Ų14142.6 Ų42.675%0.75426%0.257SS*.THydrogen-bonded Turntrans61.824.7175.6-60.3-41.4000115.5S4 G5 S10S4-N8 PolarHBondContact O-N 3.11Å; G5-N8 PolarHBondContact O-N 3.29Å; N8-S10 PolarHBondContact O-N 3Å
9N96.3Very high93.6Very high12 Ų1242.4 Ų42.46%0.06426%0.26CS..  trans-87.3104.4167.2-173.5-29.7000109.4S4 Y7 A11 I12 Y207S4-N9 WeakPolarHBondContact O-CB 3.42Å; S4-N9 PolarHBondContact O-N 2.91Å; Y7-N9 VanDerWaalsContact C-N 3.28Å; Y7-N9 PolarHBondContact O-N 3.17Å; N9-A11 WeakPolarHBondContact OD1-CB 3.44Å; N9-A11 PolarHBondContact OD1-N 3.24Å; N9-I12 HydrophobicContact CB-CG2 4.14Å; N9-I12 PolarHBondContact OD1-N 2.68Å; N9-Y207 PolarHBondContact ND2-OH 3.05Å
10S95.1Very high93.9Very high123 Ų12340.6 Ų40.686%0.8625%0.249SC*.THydrogen-bonded Turntrans-85.2-6.5179.456.90000114.2N8N8-S10 PolarHBondContact O-N 3Å
11A96.5Very high94.1Very high31 Ų3139 Ų3926%0.25624%0.24SC..THydrogen-bonded Turntrans-81.5-16.5179.200000112.9N9 Y182 E186 Q188 Y207N9-A11 WeakPolarHBondContact OD1-CB 3.44Å; N9-A11 PolarHBondContact OD1-N 3.24Å; A11-Y182 VanDerWaalsContact O-CE1 3.29Å; A11-Y182 WeakPolarHBondContact O-CE1 3.4Å; A11-E186 VanDerWaalsContact CB-O 3.3Å; A11-E186 WeakPolarHBondContact CB-O 3.21Å; A11-Q188 HydrophobicContact CB-CB 4.48Å; A11-Y207 HydrophobicContact CB-CE2 4.06Å
12I96.8Very high96.3Very high8 Ų846.5 Ų46.54%0.04127%0.265CS..SBendtrans-118.2147.4-179.2-162.6175.6000111.4E3 N9 T14 Y182 Y207 I210E3-I12 HydrophobicContact CB-CD1 4.33Å; N9-I12 HydrophobicContact CB-CG2 4.14Å; N9-I12 PolarHBondContact OD1-N 2.68Å; I12-T14 HydrophobicContact CD1-CG2 4.27Å; I12-T14 HydrophobicContact CG1-CG2 4.31Å; I12-T14 HydrophobicContact CG2-CG2 4.31Å; I12-Y182 HydrophobicContact CG1-CE1 4.29Å; I12-Y182 HydrophobicContact CG1-CE2 4.39Å; I12-Y182 WeakPolarHBondContact CG1-OH 3.14Å; I12-Y207 HydrophobicContact CB-CD2 3.68Å; I12-Y207 HydrophobicContact CB-CE2 3.76Å; I12-Y207 HydrophobicContact CB-CG 4.4Å; I12-Y207 HydrophobicContact CD1-CD1 4.18Å; I12-Y207 HydrophobicContact CD1-CD2 3.92Å; I12-Y207 HydrophobicContact CD1-CE2 4.49Å; I12-Y207 HydrophobicContact CD1-CG 3.74Å; I12-Y207 HydrophobicContact CG1-CD2 3.8Å; I12-Y207 HydrophobicContact CG1-CE2 4.37Å; I12-Y207 HydrophobicContact CG1-CG 4.11Å; I12-I210 HydrophobicContact CD1-CB 3.87Å; I12-I210 HydrophobicContact CD1-CD1 4.49Å; I12-I210 HydrophobicContact CD1-CG2 3.62Å
13Q97.3Very high97.2Very high130 Ų13046.7 Ų46.761%0.60726%0.259SS*.  trans-103.7107.8176.6-62.217915.300111P15 Q180 Y182Q13-P15 VanDerWaalsContact C-CD 3.43Å; Q13-P15 WeakPolarHBondContact O-CD 3.38Å; Q13-Q180 PolarHBondContact O-NE2 3.17Å; Q13-Y182 PolarHBondContact N-OH 3.44Å
14T98.3Very high97.6Very high1 Ų146.1 Ų46.11%0.00626%0.257CS..  trans-125.459.9178.4550000111.8S4 G5 I12 N16 L17 D18 I210 D214S4-T14 VanDerWaalsContact CA-OG1 3.29Å; S4-T14 WeakPolarHBondContact CA-OG1 3.34Å; S4-T14 VanDerWaalsContact CB-OG1 3.26Å; S4-T14 WeakPolarHBondContact CB-OG1 3.43Å; G5-T14 PolarHBondContact N-OG1 3.49Å; I12-T14 HydrophobicContact CD1-CG2 4.27Å; I12-T14 HydrophobicContact CG1-CG2 4.31Å; I12-T14 HydrophobicContact CG2-CG2 4.31Å; T14-N16 PolarHBondContact O-N 2.98Å; T14-N16 VanDerWaalsContact O-N 3.16Å; T14-L17 HydrophobicContact CG2-CD1 4.47Å; T14-L17 PolarHBondContact O-N 3.4Å; T14-D18 PolarHBondContact O-N 2.93Å; T14-D18 PolarHBondContact OG1-OD1 3.21Å; T14-I210 HydrophobicContact CG2-CG2 4.05Å; T14-D214 VanDerWaalsContact CA-CG 3.5Å; T14-D214 WeakPolarHBondContact CA-OD1 3.1Å; T14-D214 WeakPolarHBondContact CB-OD1 3.23Å; T14-D214 HydrophobicContact CG2-CB 4.35Å
15P98.6Very high97.7Very high69 Ų6946.2 Ų46.245%0.44826%0.257SS..Hα-helixtrans-61.9-27.8-168.825.8-36.4000114.2Q13 A19 D214Q13-P15 VanDerWaalsContact C-CD 3.43Å; Q13-P15 WeakPolarHBondContact O-CD 3.38Å; P15-A19 VanDerWaalsContact O-CB 3.3Å; P15-A19 WeakPolarHBondContact O-CB 3.34Å; P15-A19 PolarHBondContact O-N 3.29Å; P15-D214 VanDerWaalsContact CD-OD2 3.28Å; P15-D214 WeakPolarHBondContact CD-OD2 3.28Å
16N98.8Very high97.8Very high47 Ų4745.3 Ų45.325%0.25125%0.246SC..Hα-helixtrans-77.8-41.5-179.5-61.6-77000111.4T14 D18 A19 L20 D214 G218T14-N16 PolarHBondContact O-N 2.98Å; T14-N16 VanDerWaalsContact O-N 3.16Å; N16-D18 VanDerWaalsContact C-N 3.34Å; N16-A19 PolarHBondContact O-N 3.44Å; N16-L20 WeakPolarHBondContact O-CB 3.25Å; N16-L20 PolarHBondContact O-N 3.05Å; N16-D214 VanDerWaalsContact CB-O 3.3Å; N16-D214 WeakPolarHBondContact CB-O 3.48Å; N16-D214 WeakPolarHBondContact CB-OD2 3.49Å; N16-D214 PolarHBondContact N-OD1 3.25Å; N16-D214 PolarHBondContact N-OD2 3.2Å; N16-D214 PolarHBondContact ND2-O 3.41Å; N16-D214 PolarHBondContact ND2-OD2 3.44Å; N16-G218 WeakPolarHBondContact OD1-CA 3.5Å
17L98.5Very high97.9Very high1 Ų144.2 Ų44.21%0.00524%0.237CC..Hα-helixtrans-63.1-40.8170.3-80.8172.8000111.6T14 A19 L20 A21 M213 D214 I217 Y237T14-L17 HydrophobicContact CG2-CD1 4.47Å; T14-L17 PolarHBondContact O-N 3.4Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 2.92Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 2.9Å; L17-M213 HydrophobicContact CD1-CE 4.03Å; L17-D214 WeakPolarHBondContact CB-OD1 3.43Å; L17-D214 PolarHBondContact N-OD1 3.32Å; L17-I217 HydrophobicContact CD1-CD1 4.26Å; L17-I217 HydrophobicContact CD2-CD1 3.66Å; L17-I217 HydrophobicContact CG-CD1 3.89Å; L17-Y237 HydrophobicContact CD1-CE1 4.34Å; L17-Y237 HydrophobicContact CD2-CD1 3.66Å; L17-Y237 HydrophobicContact CD2-CD2 3.92Å; L17-Y237 HydrophobicContact CD2-CE1 3.56Å; L17-Y237 HydrophobicContact CD2-CE2 3.85Å; L17-Y237 HydrophobicContact CD2-CG 3.83Å
18D98.6Very high97.9Very high42 Ų4247 Ų4723%0.22525%0.252CS..Hα-helixtrans-64.8-37.8176.6-60.5-12.6000111G5 A6 T14 N16 A21 R22G5-D18 VanDerWaalsContact CA-OD1 3.26Å; G5-D18 WeakPolarHBondContact CA-OD1 3.3Å; G5-D18 PolarHBondContact N-OD1 3.06Å; A6-D18 PolarHBondContact N-OD1 3.31Å; T14-D18 PolarHBondContact O-N 2.93Å; T14-D18 PolarHBondContact OG1-OD1 3.21Å; N16-D18 VanDerWaalsContact C-N 3.34Å; D18-A21 PolarHBondContact O-N 3.34Å; D18-R22 PolarHBondContact O-N 3.44Å
19A98.6Very high98.1Very high38 Ų3841.8 Ų41.831%0.31422%0.223SC..Hα-helixtrans-66.7-39.8173.200000112.5P15 N16 L17P15-A19 VanDerWaalsContact O-CB 3.3Å; P15-A19 WeakPolarHBondContact O-CB 3.34Å; P15-A19 PolarHBondContact O-N 3.29Å; N16-A19 PolarHBondContact O-N 3.44Å; L17-A19 VanDerWaalsContact C-N 3.3Å; L17-A19 PolarHBondContact O-N 3.31Å
20L98.7Very high98.2Very high6 Ų641.3 Ų41.33%0.03122%0.221CC..Hα-helixtrans-64.5-42.5173.9-178.761.1000111N16 L17 R22 R23 S24 L221 V235 L262N16-L20 WeakPolarHBondContact O-CB 3.25Å; N16-L20 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 2.92Å; L20-R22 VanDerWaalsContact C-N 3.33Å; L20-R22 PolarHBondContact O-N 3.43Å; L20-R23 CarbonylContact O-C 3.57Å; L20-R23 WeakPolarHBondContact O-CA 3.43Å; L20-R23 PolarHBondContact O-N 3.08Å; L20-S24 WeakPolarHBondContact O-CB 3.25Å; L20-S24 PolarHBondContact O-N 3.39Å; L20-S24 VanDerWaalsContact O-N 3.13Å; L20-S24 PolarHBondContact O-OG 2.85Å; L20-L221 HydrophobicContact CB-CD1 4.48Å; L20-L221 HydrophobicContact CD1-CD1 4.24Å; L20-V235 HydrophobicContact CD1-CB 4.46Å; L20-V235 HydrophobicContact CD1-CG1 4Å; L20-V235 HydrophobicContact CD2-CG1 4.32Å; L20-L262 HydrophobicContact CB-CD2 4.36Å; L20-L262 HydrophobicContact CD2-CD2 4.21Å; L20-L262 HydrophobicContact CG-CD2 4.1Å
21A98.6Very high98.3Very high9 Ų935.7 Ų35.77%0.07418%0.181CC..Hα-helixtrans-59-41.5178.400000112.2A6 L17 D18 R23 S24 V26 L262A6-A21 HydrophobicContact CB-CB 3.65Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 2.9Å; D18-A21 PolarHBondContact O-N 3.34Å; A21-R23 PolarHBondContact O-N 3.33Å; A21-R23 VanDerWaalsContact O-N 3.07Å; A21-S24 PolarHBondContact O-N 3.27Å; A21-S24 VanDerWaalsContact O-O 3.14Å; A21-V26 HydrophobicContact CB-CG2 3.93Å; A21-L262 HydrophobicContact CB-CD2 3.88Å
22R98.7Very high98.5Very high167 Ų16734.2 Ų34.263%0.6317%0.169SC*.THydrogen-bonded Turntrans-59.1-20.2173.9-74.5-173.7-70.6-112.4-0.6114D18 L20 G273D18-R22 PolarHBondContact O-N 3.44Å; L20-R22 VanDerWaalsContact C-N 3.33Å; L20-R22 PolarHBondContact O-N 3.43Å; R22-G273 PolarHBondContact O-N 2.99Å
23R98.3Very high98.6Very high64 Ų6433.8 Ų33.824%0.24217%0.167CC..THydrogen-bonded Turntrans-112.215.8177.9-66.3-178.856.8-137-2.8112.6L20 A21 H230 S264 W272L20-R23 CarbonylContact O-C 3.57Å; L20-R23 WeakPolarHBondContact O-CA 3.43Å; L20-R23 PolarHBondContact O-N 3.08Å; A21-R23 PolarHBondContact O-N 3.33Å; A21-R23 VanDerWaalsContact O-N 3.07Å; R23-H230 PolarHBondContact NH1-CE1 2.95Å; R23-H230 PolarHBondContact NH1-NE2 3.41Å; R23-H230 PolarHBondContact NH2-CE1 2.8Å; R23-H230 PolarHBondContact NH2-NE2 3.28Å; R23-S264 WeakPolarHBondContact O-CA 3.27Å; R23-S264 WeakPolarHBondContact O-CB 3.19Å; R23-S264 PolarHBondContact O-OG 3.36Å; R23-W272 HydrophobicContact CB-CD2 4.21Å; R23-W272 HydrophobicContact CB-CE3 4.25Å; R23-W272 HydrophobicContact CG-CE3 4.13Å; R23-W272 HydrophobicContact CG-CZ3 4.25Å; R23-W272 VanDerWaalsContact O-CD1 3.22Å; R23-W272 PolarHBondContact O-NE1 3.45Å; R23-W272 VanDerWaalsContact O-NE1 3.13Å
24S98.9Very high98.6Very high0 Ų027.6 Ų27.60%014%0.138CC..SBendtrans-127.4162.7-177.3-57.70000110.6L20 A21 I263 S264 G273L20-S24 WeakPolarHBondContact O-CB 3.25Å; L20-S24 PolarHBondContact O-N 3.39Å; L20-S24 VanDerWaalsContact O-N 3.13Å; L20-S24 PolarHBondContact O-OG 2.85Å; A21-S24 PolarHBondContact O-N 3.27Å; A21-S24 VanDerWaalsContact O-O 3.14Å; S24-I263 CarbonylContact C-O 3.57Å; S24-I263 WeakPolarHBondContact CA-O 3.38Å; S24-I263 WeakPolarHBondContact CB-O 3.33Å; S24-S264 WeakPolarHBondContact OG-CB 3.43Å; S24-G273 PolarHBondContact O-N 2.8Å
25V98.9Very high98.6Very high2 Ų227.6 Ų27.61%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-83.6126150.5178.80000107.4F27 I263 R271 L319V25-F27 HydrophobicContact CB-CE2 4.39Å; V25-F27 HydrophobicContact CG1-CD2 4.35Å; V25-F27 HydrophobicContact CG1-CE2 4.01Å; V25-F27 HydrophobicContact CG1-CZ 4.47Å; V25-I263 PolarHBondContact N-O 3.03Å; V25-I263 PolarHBondContact O-N 3.4Å; V25-I263 VanDerWaalsContact O-N 3.08Å; V25-R271 HydrophobicContact CG2-CB 3.64Å; V25-L319 HydrophobicContact CB-CD2 3.87Å; V25-L319 HydrophobicContact CG2-CD2 3.72Å
26V98.8Very high98.7Very high7 Ų724.3 Ų24.34%0.04212%0.117CC..EExtended strand (participates in β ladder)trans-94.3121.8176.4-177.20000108.5Y7 A21 L262 Q274 V275 S276Y7-V26 HydrophobicContact CE1-CG1 4.12Å; Y7-V26 HydrophobicContact CE2-CG1 4.1Å; A21-V26 HydrophobicContact CB-CG2 3.93Å; V26-L262 HydrophobicContact CG1-CD1 4.29Å; V26-L262 HydrophobicContact CG2-CG 4.28Å; V26-Q274 PolarHBondContact N-O 2.82Å; V26-V275 HydrophobicContact CB-CG2 4.41Å; V26-V275 CarbonylContact O-C 3.55Å; V26-V275 VanDerWaalsContact O-CA 3.29Å; V26-V275 WeakPolarHBondContact O-CA 3.07Å; V26-S276 PolarHBondContact O-N 3.12Å
27F98.8Very high98.6Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-89.9122176-72.6-104.3000110.1Y7 V25 A30 L261 I263 A280 L315 A318Y7-F27 PolarHBondContact OH-O 3.44Å; V25-F27 HydrophobicContact CB-CE2 4.39Å; V25-F27 HydrophobicContact CG1-CD2 4.35Å; V25-F27 HydrophobicContact CG1-CE2 4.01Å; V25-F27 HydrophobicContact CG1-CZ 4.47Å; F27-A30 HydrophobicContact CB-CB 4.12Å; F27-L261 HydrophobicContact CB-CB 4.1Å; F27-L261 HydrophobicContact CB-CD2 4.12Å; F27-L261 HydrophobicContact CB-CG 4.29Å; F27-L261 HydrophobicContact CD2-CD2 3.92Å; F27-L261 HydrophobicContact CD2-CG 3.97Å; F27-L261 HydrophobicContact CE2-CD2 4.49Å; F27-L261 HydrophobicContact CG-CD2 3.94Å; F27-L261 HydrophobicContact CG-CG 4.31Å; F27-L261 PolarHBondContact N-O 2.89Å; F27-I263 HydrophobicContact CD2-CD1 4.47Å; F27-I263 HydrophobicContact CE2-CD1 3.74Å; F27-I263 HydrophobicContact CE2-CG1 4.07Å; F27-I263 HydrophobicContact CZ-CD1 4.31Å; F27-A280 HydrophobicContact CD1-CB 3.83Å; F27-A280 HydrophobicContact CE1-CB 4.17Å; F27-A280 HydrophobicContact CG-CB 4.49Å; F27-L315 HydrophobicContact CE1-CD2 4.47Å; F27-L315 HydrophobicContact CZ-CB 4.35Å; F27-L315 HydrophobicContact CZ-CD1 4.48Å; F27-A318 HydrophobicContact CE1-CB 4.11Å; F27-A318 HydrophobicContact CZ-CB 3.77Å
28Q97.9Very high98.6Very high90 Ų9022.2 Ų22.242%0.42111%0.106SC..EExtended strand (participates in β ladder)trans-76.9-29.6176.1-172.661.647.500112.1V275 S276Q28-V275 HydrophobicContact CB-CG1 3.93Å; Q28-S276 PolarHBondContact N-O 3.34Å
29N98.3Very high98.7Very high30 Ų3020.2 Ų20.216%0.1610%0.095CC..EExtended strand (participates in β ladder)trans-118.861.4-172.7-61.6-48.1000110.9F31 Q277 F279 A280N29-F31 HydrophobicContact CB-CE2 4.05Å; N29-Q277 PolarHBondContact ND2-O 3.15Å; N29-F279 HydrophobicContact CB-CD1 4.31Å; N29-F279 HydrophobicContact CB-CD2 4.05Å; N29-F279 HydrophobicContact CB-CE1 4.34Å; N29-F279 HydrophobicContact CB-CE2 4.11Å; N29-F279 HydrophobicContact CB-CG 4.15Å; N29-F279 HydrophobicContact CB-CZ 4.25Å; N29-F279 WeakPolarHBondContact O-CA 3.38Å; N29-A280 PolarHBondContact O-N 3.49Å
30A98.8Very high98.7Very high2 Ų218.4 Ų18.42%0.0178%0.08CC..EExtended strand (participates in β ladder)trans-106.3134.9175.400000111.3F27 E259 L261 A280F27-A30 HydrophobicContact CB-CB 4.12Å; A30-E259 PolarHBondContact O-N 3.13Å; A30-L261 HydrophobicContact CB-CB 3.49Å; A30-L261 VanDerWaalsContact CB-CB 3.49Å; A30-L261 HydrophobicContact CB-CD2 3.78Å; A30-L261 HydrophobicContact CB-CG 4.29Å; A30-A280 WeakPolarHBondContact CA-O 3.45Å; A30-A280 HydrophobicContact CB-CB 4.32Å
31F98.8Very high98.7Very high5 Ų518.9 Ų18.92%0.0228%0.081CC..EExtended strand (participates in β ladder)trans-133.4136.1-173.7-56.8-85.8000113.6N29 H254 T257 A258 F279 A280 S281 L282 A328 Q347N29-F31 HydrophobicContact CB-CE2 4.05Å; F31-H254 AromaticContact CE1-CE1 3.91Å; F31-H254 AromaticContact CE1-ND1 3.69Å; F31-T257 CarbonylContact C-O 3.37Å; F31-T257 WeakPolarHBondContact CA-O 3.26Å; F31-A258 HydrophobicContact CD1-CB 4.25Å; F31-A258 HydrophobicContact CE1-CB 4.12Å; F31-F279 HydrophobicContact CD2-CD1 4.39Å; F31-F279 AromaticContact CE2-CD1 3.69Å; F31-F279 HydrophobicContact CE2-CD1 3.69Å; F31-F279 AromaticContact CE2-CE1 3.84Å; F31-F279 HydrophobicContact CE2-CE1 3.84Å; F31-F279 HydrophobicContact CZ-CE1 4.3Å; F31-A280 PolarHBondContact N-O 2.82Å; F31-S281 CarbonylContact O-C 3.34Å; F31-S281 VanDerWaalsContact O-CA 3.24Å; F31-S281 WeakPolarHBondContact O-CA 3.3Å; F31-S281 PolarHBondContact O-OG 2.93Å; F31-L282 PolarHBondContact O-N 3.06Å; F31-A328 HydrophobicContact CB-CB 4.27Å; F31-A328 HydrophobicContact CD2-CB 3.87Å; F31-A328 HydrophobicContact CG-CB 4.35Å; F31-Q347 HydrophobicContact CE2-CG 4.44Å; F31-Q347 HydrophobicContact CZ-CG 4.3Å
32T98.9Very high98.7Very high0 Ų018.4 Ų18.40%08%0.078CC..  trans-70145.8163.1-1780000111V34 S40 D240 T257 E259 S330T32-V34 WeakPolarHBondContact CG2-O 3.32Å; T32-V34 PolarHBondContact O-N 3.33Å; T32-V34 PolarHBondContact OG1-N 3.32Å; T32-V34 PolarHBondContact OG1-O 2.85Å; T32-S40 PolarHBondContact OG1-OG 3.44Å; T32-D240 WeakPolarHBondContact CB-O 3.39Å; T32-D240 PolarHBondContact OG1-O 3.01Å; T32-T257 HydrophobicContact CG2-CG2 4.25Å; T32-T257 PolarHBondContact N-O 2.94Å; T32-E259 HydrophobicContact CG2-CG 4.19Å; T32-S330 PolarHBondContact O-OG 3.35Å; T32-S330 VanDerWaalsContact O-OG 3.12Å
33S98.8Very high98.7Very high0 Ų010.5 Ų10.50%05%0.048CC..SBendtrans-75.4-10.1171.462.10000112.5S330 S331S33-S330 CarbonylContact O-C 3.44Å; S33-S330 WeakPolarHBondContact O-CA 3.23Å; S33-S330 VanDerWaalsContact O-CB 3.26Å; S33-S330 WeakPolarHBondContact O-CB 3.36Å; S33-S331 PolarHBondContact O-N 3.39Å
34V98.9Very high98.7Very high0 Ų08.3 Ų8.30%04%0.041CC..  trans-159.1136.9-177.858.30000111.5T32 S36 P39 S40 Q50 S331 Q332T32-V34 WeakPolarHBondContact CG2-O 3.32Å; T32-V34 PolarHBondContact O-N 3.33Å; T32-V34 PolarHBondContact OG1-N 3.32Å; T32-V34 PolarHBondContact OG1-O 2.85Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 3.09Å; V34-P39 HydrophobicContact CB-CB 4.35Å; V34-P39 VanDerWaalsContact CG1-C 3.4Å; V34-P39 HydrophobicContact CG1-CB 3.69Å; V34-P39 HydrophobicContact CG2-CB 3.75Å; V34-S40 VanDerWaalsContact CG1-N 3.28Å; V34-Q50 HydrophobicContact CB-CG 4.42Å; V34-Q50 HydrophobicContact CG2-CG 4.25Å; V34-S331 WeakPolarHBondContact CB-O 3.37Å; V34-S331 WeakPolarHBondContact CG2-O 3.47Å; V34-Q332 HydrophobicContact CG2-CB 3.92Å; V34-Q332 HydrophobicContact CG2-CG 3.84Å
35S98.8Very high98.8Very high0 Ų08.4 Ų8.40%04%0.041CC..SBendtrans-94.757.4-176.8-162.60000111.8R249 T250 N251 G256 Q332S35-R249 WeakPolarHBondContact OG-CA 3.31Å; S35-T250 WeakPolarHBondContact O-CA 3.4Å; S35-T250 PolarHBondContact O-N 3.46Å; S35-T250 PolarHBondContact OG-N 2.76Å; S35-N251 WeakPolarHBondContact CB-O 3.4Å; S35-G256 VanDerWaalsContact CB-O 3.23Å; S35-G256 WeakPolarHBondContact CB-O 3.49Å; S35-G256 PolarHBondContact OG-O 3.05Å; S35-Q332 VanDerWaalsContact N-OE1 3.15Å; S35-Q332 PolarHBondContact O-OE1 2.87Å
36S98.8Very high98.8Very high0 Ų08.3 Ų8.30%04%0.041CC..SBendtrans-154.7136.2-177.6-177.70000110.1V34 P39 S40 H335V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 3.09Å; S36-P39 WeakPolarHBondContact O-CD 3.27Å; S36-P39 VanDerWaalsContact OG-CD 3.28Å; S36-P39 WeakPolarHBondContact OG-CD 3.4Å; S36-P39 WeakPolarHBondContact OG-CG 3.47Å; S36-S40 WeakPolarHBondContact O-CB 3.2Å; S36-S40 PolarHBondContact O-N 3.02Å; S36-H335 PolarHBondContact OG-ND1 3.02Å
37C98.1Very high98.8Very high4 Ų48 Ų83%0.0274%0.039CC..Hα-helixtrans-53.4-67.4-169.3-57.30000113.8S40 R41 L58 H92C37-S40 PolarHBondContact O-N 2.96Å; C37-R41 WeakPolarHBondContact O-CB 3.5Å; C37-R41 WeakPolarHBondContact O-CG 3.2Å; C37-R41 PolarHBondContact O-N 3.21Å; C37-L58 HydrophobicContact CB-CD2 4.04Å; C37-H92 WeakPolarHBondContact CB-ND1 3.3Å
38S98.9Very high98.8Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-62.7-46.3-177.6-51.50000112.8S40 R41 A42 H59 H92S38-S40 VanDerWaalsContact C-N 3.3Å; S38-S40 PolarHBondContact O-N 3.43Å; S38-R41 PolarHBondContact O-N 2.65Å; S38-A42 VanDerWaalsContact O-CB 3.29Å; S38-A42 WeakPolarHBondContact O-CB 3.44Å; S38-A42 PolarHBondContact O-N 3Å; S38-H59 WeakPolarHBondContact OG-CB 3.47Å; S38-H59 PolarHBondContact OG-N 3Å; S38-H92 WeakPolarHBondContact CA-O 3.4Å; S38-H92 WeakPolarHBondContact CB-O 3.27Å; S38-H92 PolarHBondContact OG-CD2 3.44Å; S38-H92 PolarHBondContact OG-O 3.12Å
39P98.9Very high98.8Very high0 Ų03.8 Ų3.80%02%0.019CC..Hα-helixtrans-57.9-40.3175.2-2838.2000113.3V34 S36 S43 Q50 M55 G57V34-P39 HydrophobicContact CB-CB 4.35Å; V34-P39 VanDerWaalsContact CG1-C 3.4Å; V34-P39 HydrophobicContact CG1-CB 3.69Å; V34-P39 HydrophobicContact CG2-CB 3.75Å; S36-P39 WeakPolarHBondContact O-CD 3.27Å; S36-P39 VanDerWaalsContact OG-CD 3.28Å; S36-P39 WeakPolarHBondContact OG-CD 3.4Å; S36-P39 WeakPolarHBondContact OG-CG 3.47Å; P39-S43 WeakPolarHBondContact O-CB 3.35Å; P39-S43 PolarHBondContact O-N 2.96Å; P39-S43 PolarHBondContact O-OG 2.7Å; P39-Q50 HydrophobicContact CB-CB 3.89Å; P39-M55 WeakPolarHBondContact CB-O 3.4Å; P39-M55 WeakPolarHBondContact CG-O 3.4Å; P39-G57 WeakPolarHBondContact CD-O 3.28Å; P39-G57 WeakPolarHBondContact CG-O 3.43Å
40S98.9Very high98.8Very high0 Ų02.4 Ų2.40%01%0.012CC..Hα-helixtrans-69.2-48.2-179.5-179.50000111.1T32 V34 S36 C37 S38 A42 S43 I44 D240T32-S40 PolarHBondContact OG1-OG 3.44Å; V34-S40 VanDerWaalsContact CG1-N 3.28Å; S36-S40 WeakPolarHBondContact O-CB 3.2Å; S36-S40 PolarHBondContact O-N 3.02Å; C37-S40 PolarHBondContact O-N 2.96Å; S38-S40 VanDerWaalsContact C-N 3.3Å; S38-S40 PolarHBondContact O-N 3.43Å; S40-A42 VanDerWaalsContact C-N 3.34Å; S40-A42 PolarHBondContact O-N 3.03Å; S40-S43 CarbonylContact O-C 3.47Å; S40-S43 WeakPolarHBondContact O-CA 3.25Å; S40-S43 WeakPolarHBondContact O-CB 3.33Å; S40-S43 PolarHBondContact O-N 3.48Å; S40-I44 WeakPolarHBondContact O-CG1 3.32Å; S40-I44 PolarHBondContact O-N 2.82Å; S40-D240 VanDerWaalsContact CB-O 3.23Å; S40-D240 WeakPolarHBondContact CB-O 3.48Å; S40-D240 PolarHBondContact OG-O 2.86Å
41R98.9Very high98.8Very high16 Ų162.4 Ų2.46%0.061%0.011CC..Hα-helixtrans-60.2-42.9177.1-70.8166.1-172.8-90.7-10.1112.1C37 S38 S43 I44 L45 K90 V93 Y141 D240C37-R41 WeakPolarHBondContact O-CB 3.5Å; C37-R41 WeakPolarHBondContact O-CG 3.2Å; C37-R41 PolarHBondContact O-N 3.21Å; S38-R41 PolarHBondContact O-N 2.65Å; R41-S43 VanDerWaalsContact C-N 3.31Å; R41-S43 PolarHBondContact O-N 2.95Å; R41-I44 PolarHBondContact O-N 3.32Å; R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 WeakPolarHBondContact O-CG 3.05Å; R41-L45 PolarHBondContact O-N 2.64Å; R41-K90 PolarHBondContact NH1-O 3.38Å; R41-V93 HydrophobicContact CB-CG1 3.62Å; R41-Y141 PolarHBondContact NH1-OH 3.02Å; R41-D240 HydrophobicContact CG-CB 4.41Å; R41-D240 IonicContact CZ-OD2 3.96Å; R41-D240 VanDerWaalsContact CZ-OD2 3.28Å; R41-D240 IonicContact NE-OD2 2.64Å; R41-D240 PolarHBondContact NE-OD2 2.97Å; R41-D240 IonicContact NH2-OD2 3.47Å; R41-D240 PolarHBondContact NH2-OD2 3.33Å
42A98.9Very high98.8Very high0 Ų02.8 Ų2.80%01%0.013CC..Hα-helixtrans-61.4-41.7173.800000111.2S38 S40 L45 T46 M55 V93 Y99S38-A42 VanDerWaalsContact O-CB 3.29Å; S38-A42 WeakPolarHBondContact O-CB 3.44Å; S38-A42 PolarHBondContact O-N 3Å; S40-A42 VanDerWaalsContact C-N 3.34Å; S40-A42 PolarHBondContact O-N 3.03Å; A42-L45 PolarHBondContact O-N 3.45Å; A42-T46 WeakPolarHBondContact O-CB 3.06Å; A42-T46 VanDerWaalsContact O-CG2 3.23Å; A42-T46 WeakPolarHBondContact O-CG2 3.17Å; A42-T46 PolarHBondContact O-N 2.79Å; A42-T46 VanDerWaalsContact O-N 3.09Å; A42-T46 PolarHBondContact O-OG1 3.2Å; A42-M55 HydrophobicContact CB-CB 3.57Å; A42-M55 HydrophobicContact CB-CE 4.42Å; A42-M55 HydrophobicContact CB-CG 3.82Å; A42-V93 HydrophobicContact CB-CG1 4.13Å; A42-Y99 WeakPolarHBondContact CB-OH 3.33Å
43S98.9Very high98.8Very high1 Ų12.8 Ų2.81%0.0071%0.013CC..Hα-helixtrans-67.2-41.7178.5-54.80000112.3P39 S40 R41 T46 G47 L48 Q50P39-S43 WeakPolarHBondContact O-CB 3.35Å; P39-S43 PolarHBondContact O-N 2.96Å; P39-S43 PolarHBondContact O-OG 2.7Å; S40-S43 CarbonylContact O-C 3.47Å; S40-S43 WeakPolarHBondContact O-CA 3.25Å; S40-S43 WeakPolarHBondContact O-CB 3.33Å; S40-S43 PolarHBondContact O-N 3.48Å; R41-S43 VanDerWaalsContact C-N 3.31Å; R41-S43 PolarHBondContact O-N 2.95Å; S43-T46 PolarHBondContact O-N 2.89Å; S43-G47 WeakPolarHBondContact O-CA 3.45Å; S43-G47 PolarHBondContact O-N 3.25Å; S43-L48 VanDerWaalsContact CA-O 3.27Å; S43-L48 WeakPolarHBondContact CA-O 3.09Å; S43-L48 WeakPolarHBondContact CB-O 3.4Å; S43-L48 PolarHBondContact OG-O 2.96Å; S43-Q50 PolarHBondContact OG-N 3.31Å
44I98.9Very high98.8Very high17 Ų172.9 Ų2.99%0.0872%0.015CC..Hα-helixtrans-58.6-48.8173.6-70.2161.8000110.7S40 R41 T46 L282 L285 T286S40-I44 WeakPolarHBondContact O-CG1 3.32Å; S40-I44 PolarHBondContact O-N 2.82Å; R41-I44 PolarHBondContact O-N 3.32Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3Å; I44-L282 HydrophobicContact CD1-CD2 3.67Å; I44-L282 HydrophobicContact CD1-CG 4.39Å; I44-L282 HydrophobicContact CG1-CB 3.86Å; I44-L282 HydrophobicContact CG1-CD2 3.83Å; I44-L282 HydrophobicContact CG1-CG 4.08Å; I44-L285 HydrophobicContact CG1-CD1 4.47Å; I44-L285 HydrophobicContact CG2-CB 4.47Å; I44-L285 HydrophobicContact CG2-CD1 3.98Å; I44-T286 PolarHBondContact O-OG1 3.43Å
45L98.9Very high98.8Very high3 Ų32.9 Ų2.92%0.0162%0.015CC..THydrogen-bonded Turntrans-81.71.6-174.2-67.3173.2000113.8R41 A42 S73 L74 V93 Y99 Y141R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 WeakPolarHBondContact O-CG 3.05Å; R41-L45 PolarHBondContact O-N 2.64Å; A42-L45 PolarHBondContact O-N 3.45Å; L45-S73 CarbonylContact O-C 3.59Å; L45-S73 WeakPolarHBondContact O-CA 3.28Å; L45-S73 WeakPolarHBondContact O-CB 3.29Å; L45-L74 WeakPolarHBondContact O-CB 3.43Å; L45-L74 PolarHBondContact O-N 3.14Å; L45-V93 HydrophobicContact CD1-CG2 4.24Å; L45-Y99 HydrophobicContact CB-CD1 4.16Å; L45-Y99 HydrophobicContact CB-CE1 3.9Å; L45-Y99 HydrophobicContact CD1-CD1 4.18Å; L45-Y99 HydrophobicContact CD1-CE1 4.47Å; L45-Y141 HydrophobicContact CD1-CE1 4.4Å
46T98.9Very high98.8Very high0 Ų05.1 Ų5.10%02%0.024CC..THydrogen-bonded Turntrans-127.8-22.2176.859.20000113A42 S43 I44 L48 V71 Y99 T286 L310A42-T46 WeakPolarHBondContact O-CB 3.06Å; A42-T46 VanDerWaalsContact O-CG2 3.23Å; A42-T46 WeakPolarHBondContact O-CG2 3.17Å; A42-T46 PolarHBondContact O-N 2.79Å; A42-T46 VanDerWaalsContact O-N 3.09Å; A42-T46 PolarHBondContact O-OG1 3.2Å; S43-T46 PolarHBondContact O-N 2.89Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3Å; T46-L48 PolarHBondContact O-N 3.19Å; T46-L48 PolarHBondContact OG1-N 3.38Å; T46-L48 PolarHBondContact OG1-O 3.45Å; T46-V71 HydrophobicContact CG2-CG1 3.51Å; T46-Y99 HydrophobicContact CG2-CE1 3.9Å; T46-Y99 WeakPolarHBondContact CG2-OH 3.12Å; T46-T286 PolarHBondContact N-OG1 3.26Å; T46-L310 WeakPolarHBondContact O-CD2 3.46Å
47G98.8Very high98.8Very high0 Ų05.1 Ų5.10%02%0.024CC..SBendtrans69.49.4-168.100000113.4S43 T286S43-G47 WeakPolarHBondContact O-CA 3.45Å; S43-G47 PolarHBondContact O-N 3.25Å; G47-T286 PolarHBondContact N-OG1 2.99Å
48L98.9Very high98.9Very high0 Ų05.3 Ų5.30%02%0.024CC..SBendtrans-110.6138.9-178.8-54.4179.8000110S43 T46 N53 V71 I302 V308 L310S43-L48 VanDerWaalsContact CA-O 3.27Å; S43-L48 WeakPolarHBondContact CA-O 3.09Å; S43-L48 WeakPolarHBondContact CB-O 3.4Å; S43-L48 PolarHBondContact OG-O 2.96Å; T46-L48 PolarHBondContact O-N 3.19Å; T46-L48 PolarHBondContact OG1-N 3.38Å; T46-L48 PolarHBondContact OG1-O 3.45Å; L48-N53 HydrophobicContact CB-CB 4.05Å; L48-N53 HydrophobicContact CD1-CB 4.43Å; L48-N53 PolarHBondContact O-ND2 2.93Å; L48-V71 HydrophobicContact CD1-CG1 4.46Å; L48-I302 HydrophobicContact CD1-CD1 4.45Å; L48-V308 HydrophobicContact CD1-CG1 3.86Å; L48-V308 HydrophobicContact CD2-CG1 3.44Å; L48-V308 VanDerWaalsContact CD2-CG1 3.44Å; L48-V308 HydrophobicContact CG-CG1 4.3Å; L48-L310 HydrophobicContact CD2-CD2 3.75Å; L48-L310 HydrophobicContact CG-CD2 4.48Å
49P98.9Very high98.9Very high1 Ų17 Ų71%0.0063%0.032CC..  trans-63.9154.2174.728.6-35.6000111.9H51 Q52 N53 W438 T442P49-H51 VanDerWaalsContact CG-CE1 3.47Å; P49-H51 WeakPolarHBondContact CG-CE1 3.35Å; P49-H51 WeakPolarHBondContact CG-NE2 3.05Å; P49-H51 PolarHBondContact O-N 3.49Å; P49-Q52 HydrophobicContact CG-CB 4.02Å; P49-Q52 PolarHBondContact O-N 3.16Å; P49-N53 PolarHBondContact O-N 3.29Å; P49-N53 PolarHBondContact O-ND2 3.41Å; P49-W438 HydrophobicContact CB-CH2 3.79Å; P49-W438 HydrophobicContact CB-CZ2 3.74Å; P49-W438 HydrophobicContact CG-CH2 4.21Å; P49-W438 HydrophobicContact CG-CZ2 3.84Å; P49-T442 HydrophobicContact CG-CG2 3.92Å
50Q98.9Very high98.8Very high1 Ų19.6 Ų9.61%0.0054%0.044CC..Hα-helixtrans-50.7-35.8-177.864.381.820.300114.6V34 P39 S43 Q52 G54 Y56 S331 S333V34-Q50 HydrophobicContact CB-CG 4.42Å; V34-Q50 HydrophobicContact CG2-CG 4.25Å; P39-Q50 HydrophobicContact CB-CB 3.89Å; S43-Q50 PolarHBondContact OG-N 3.31Å; Q50-Q52 PolarHBondContact O-N 3.48Å; Q50-G54 PolarHBondContact O-N 2.83Å; Q50-G54 VanDerWaalsContact O-N 3.07Å; Q50-Y56 WeakPolarHBondContact O-CD1 3.18Å; Q50-S331 WeakPolarHBondContact CG-O 3.49Å; Q50-S331 PolarHBondContact NE2-O 3.34Å; Q50-S331 PolarHBondContact NE2-OG 3.19Å; Q50-S333 PolarHBondContact NE2-OG 3Å; Q50-S333 PolarHBondContact OE1-OG 2.92Å
51H98.8Very high98.7Very high2 Ų215.4 Ų15.41%0.0098%0.075CC..Hα-helixtrans-72.4-17.9-179.762.7-111.4000113.1P49 S331 W438 T442 D444 P445 W446P49-H51 VanDerWaalsContact CG-CE1 3.47Å; P49-H51 WeakPolarHBondContact CG-CE1 3.35Å; P49-H51 WeakPolarHBondContact CG-NE2 3.05Å; P49-H51 PolarHBondContact O-N 3.49Å; H51-S331 VanDerWaalsContact ND1-CB 3.33Å; H51-S331 WeakPolarHBondContact ND1-CB 3.19Å; H51-S331 PolarHBondContact ND1-OG 2.93Å; H51-W438 AromaticContact CE1-CH2 3.59Å; H51-W438 AromaticContact CE1-CZ3 3.72Å; H51-T442 PolarHBondContact CE1-OG1 3.06Å; H51-T442 VanDerWaalsContact NE2-CB 3.33Å; H51-T442 WeakPolarHBondContact NE2-CB 3.39Å; H51-T442 PolarHBondContact NE2-OG1 2.88Å; H51-D444 VanDerWaalsContact CD2-CA 3.48Å; H51-D444 WeakPolarHBondContact CD2-CA 2.97Å; H51-D444 IonicContact CG-OD1 3.82Å; H51-P445 WeakPolarHBondContact O-CD 3.5Å; H51-W446 HydrophobicContact CB-CE3 4.43Å; H51-W446 HydrophobicContact CB-CZ3 4.43Å
52Q98.8Very high98.6Very high13 Ų1319.9 Ų19.96%0.06110%0.104CC..Hα-helixtrans-100.6-38.8179.2-168.4178.63700111.6P49 Q50 G54 F68 T442P49-Q52 HydrophobicContact CG-CB 4.02Å; P49-Q52 PolarHBondContact O-N 3.16Å; Q50-Q52 PolarHBondContact O-N 3.48Å; Q52-G54 VanDerWaalsContact C-N 3.35Å; Q52-F68 WeakPolarHBondContact O-CE2 3.44Å; Q52-T442 WeakPolarHBondContact CB-O 3.44Å; Q52-T442 VanDerWaalsContact CD-O 3.25Å; Q52-T442 VanDerWaalsContact CG-O 3.25Å; Q52-T442 WeakPolarHBondContact CG-O 3.18Å; Q52-T442 PolarHBondContact NE2-O 2.86Å
53N98.8Very high98.6Very high0 Ų020.7 Ų20.70%011%0.108CC..Hα-helixtrans-78-18.2178.17250.2000113.5L48 P49 M55 S67 F68 V71L48-N53 HydrophobicContact CB-CB 4.05Å; L48-N53 HydrophobicContact CD1-CB 4.43Å; L48-N53 PolarHBondContact O-ND2 2.93Å; P49-N53 PolarHBondContact O-N 3.29Å; P49-N53 PolarHBondContact O-ND2 3.41Å; N53-M55 WeakPolarHBondContact OD1-CB 3.47Å; N53-M55 PolarHBondContact OD1-N 2.04Å; N53-S67 CarbonylContact O-C 3.42Å; N53-S67 WeakPolarHBondContact O-CA 3.35Å; N53-S67 WeakPolarHBondContact O-CB 3.42Å; N53-S67 PolarHBondContact O-OG 2.83Å; N53-F68 WeakPolarHBondContact O-CD2 3.26Å; N53-F68 PolarHBondContact O-N 3.16Å; N53-V71 HydrophobicContact CB-CG2 4.46Å
54G98.8Very high98.6Very high3 Ų327.1 Ų27.13%0.03114%0.137CC..SBendtrans96.5-8.5175.100000115.2Q50 Q52 Y56 N66 F68Q50-G54 PolarHBondContact O-N 2.83Å; Q50-G54 VanDerWaalsContact O-N 3.07Å; Q52-G54 VanDerWaalsContact C-N 3.35Å; G54-Y56 PolarHBondContact O-N 2.56Å; G54-N66 CarbonylContact C-O 3.51Å; G54-N66 VanDerWaalsContact O-O 3.1Å; G54-F68 VanDerWaalsContact CA-CE2 3.45Å
55M98.9Very high98.6Very high0 Ų027.9 Ų27.90%014%0.14CC..  trans-79.170.4177.5-165.666.581.200110.9P39 A42 N53 G57 H59 F65 V93 G94P39-M55 WeakPolarHBondContact CB-O 3.4Å; P39-M55 WeakPolarHBondContact CG-O 3.4Å; A42-M55 HydrophobicContact CB-CB 3.57Å; A42-M55 HydrophobicContact CB-CE 4.42Å; A42-M55 HydrophobicContact CB-CG 3.82Å; N53-M55 WeakPolarHBondContact OD1-CB 3.47Å; N53-M55 PolarHBondContact OD1-N 2.04Å; M55-G57 PolarHBondContact O-N 3.21Å; M55-H59 HydrophobicContact CE-CB 4.49Å; M55-H59 HydrophobicContact SD-CB 4.3Å; M55-F65 VanDerWaalsContact SD-C 3.53Å; M55-F65 HydrophobicContact SD-CB 3.92Å; M55-V93 HydrophobicContact CE-CB 3.89Å; M55-V93 HydrophobicContact CE-CG1 4.16Å; M55-G94 WeakPolarHBondContact CE-O 3.35Å
56Y98.9Very high98.6Very high47 Ų4730.2 Ų30.218%0.18415%0.152CC..  trans-70.3-17.7-170.2-55.6-42.9000115.3Q50 G54 F65 F68 H334 W446Q50-Y56 WeakPolarHBondContact O-CD1 3.18Å; G54-Y56 PolarHBondContact O-N 2.56Å; Y56-F65 HydrophobicContact CD2-CD1 4.24Å; Y56-F65 HydrophobicContact CD2-CE1 4.16Å; Y56-F65 HydrophobicContact CG-CD1 4.47Å; Y56-F65 HydrophobicContact CG-CE1 4.5Å; Y56-F68 WeakPolarHBondContact OH-CZ 3.5Å; Y56-H334 WeakPolarHBondContact O-CA 3.41Å; Y56-H334 WeakPolarHBondContact O-CB 3.33Å; Y56-H334 PolarHBondContact O-N 3.04Å; Y56-W446 HydrophobicContact CD1-CH2 4.1Å; Y56-W446 HydrophobicContact CD1-CZ3 4.08Å; Y56-W446 HydrophobicContact CD2-CH2 4.28Å; Y56-W446 HydrophobicContact CE1-CH2 4.12Å; Y56-W446 AromaticContact CE1-CZ3 3.85Å; Y56-W446 HydrophobicContact CE1-CZ3 3.85Å; Y56-W446 HydrophobicContact CE2-CH2 4.29Å; Y56-W446 HydrophobicContact CG-CH2 4.17Å
57G98.8Very high98.6Very high0 Ų030.3 Ų30.30%015%0.153CC..SBendtrans-159.6-160.7-178.700000111.2P39 M55 F65 H335P39-G57 WeakPolarHBondContact CD-O 3.28Å; P39-G57 WeakPolarHBondContact CG-O 3.43Å; M55-G57 PolarHBondContact O-N 3.21Å; G57-F65 VanDerWaalsContact C-CD2 3.47Å; G57-H335 CarbonylContact C-O 3.57Å; G57-H335 WeakPolarHBondContact CA-O 3.45Å
58L98.8Very high98.6Very high8 Ų832.8 Ų32.84%0.04216%0.164CC..  trans-64.7141.4-179.1-73.1-179.3000112.6C37 H63 F65 H335 E336C37-L58 HydrophobicContact CB-CD2 4.04Å; L58-H63 HydrophobicContact CB-CB 3.81Å; L58-H63 CarbonylContact O-C 3.5Å; L58-H63 WeakPolarHBondContact O-CB 3.35Å; L58-F65 WeakPolarHBondContact O-CD2 3.33Å; L58-F65 PolarHBondContact O-N 2.96Å; L58-H335 WeakPolarHBondContact CB-O 3.4Å; L58-H335 VanDerWaalsContact CG-O 3.3Å; L58-H335 WeakPolarHBondContact CG-O 3.46Å; L58-H335 PolarHBondContact N-O 3.3Å; L58-E336 HydrophobicContact CD1-CG 4.02Å
59H98.8Very high98.6Very high36 Ų3639.4 Ų39.417%0.16720%0.199CC..  trans-80-36.8-174.1172.457.3000113.6S38 M55 H64 F65 N66 H92S38-H59 WeakPolarHBondContact OG-CB 3.47Å; S38-H59 PolarHBondContact OG-N 3Å; M55-H59 HydrophobicContact CE-CB 4.49Å; M55-H59 HydrophobicContact SD-CB 4.3Å; H59-H64 VanDerWaalsContact O-CA 3.32Å; H59-H64 WeakPolarHBondContact O-CA 3.26Å; H59-H64 PolarHBondContact O-N 2.95Å; H59-F65 WeakPolarHBondContact CA-O 3.39Å; H59-F65 PolarHBondContact ND1-O 2.97Å; H59-N66 PolarHBondContact CE1-OD1 2.93Å; H59-N66 PolarHBondContact ND1-OD1 3.15Å; H59-H92 WeakPolarHBondContact CB-O 3.35Å
60Q96.4Very high98.5Very high54 Ų5442.1 Ų42.125%0.25222%0.219SC..SBendtrans-73149.7-164.179.3-801000113.3V62 H63 H64 H92Q60-V62 PolarHBondContact O-N 3.4Å; Q60-H63 PolarHBondContact NE2-CD2 3.33Å; Q60-H63 WeakPolarHBondContact O-CB 3.43Å; Q60-H63 PolarHBondContact O-N 2.81Å; Q60-H64 PolarHBondContact O-N 3.08Å; Q60-H92 VanDerWaalsContact CD-NE2 3.34Å; Q60-H92 PolarHBondContact OE1-CE1 3.24Å; Q60-H92 PolarHBondContact OE1-NE2 3.23Å
61D97.4Very high98.5Very high121 Ų12142.1 Ų42.165%0.64722%0.219SC*.THydrogen-bonded Turntrans40.3-110.8166.837.7-77.6000115H63 H64D61-H63 VanDerWaalsContact C-N 3.25Å; D61-H63 PolarHBondContact O-N 2.87Å; D61-H64 WeakPolarHBondContact O-CB 3.42Å
62V97.9Very high98.5Very high110 Ų11044 Ų4467%0.66723%0.227SC*.THydrogen-bonded Turntrans-74.3-17.2-171.7-61.40000113.3Q60Q60-V62 PolarHBondContact O-N 3.4Å
63H98.3Very high98.5Very high17 Ų1743.3 Ų43.38%0.07922%0.224CC..THydrogen-bonded Turntrans-81.9-42.4-179.7-48.6-46.9000111.4L58 Q60 D61 F65 E336 V337L58-H63 HydrophobicContact CB-CB 3.81Å; L58-H63 CarbonylContact O-C 3.5Å; L58-H63 WeakPolarHBondContact O-CB 3.35Å; Q60-H63 PolarHBondContact NE2-CD2 3.33Å; Q60-H63 WeakPolarHBondContact O-CB 3.43Å; Q60-H63 PolarHBondContact O-N 2.81Å; D61-H63 VanDerWaalsContact C-N 3.25Å; D61-H63 PolarHBondContact O-N 2.87Å; H63-F65 WeakPolarHBondContact O-CD2 3.38Å; H63-F65 PolarHBondContact O-N 2.91Å; H63-E336 VanDerWaalsContact CE1-CB 3.47Å; H63-E336 WeakPolarHBondContact CE1-CB 3.46Å; H63-E336 VanDerWaalsContact CE1-CG 3.49Å; H63-E336 WeakPolarHBondContact CE1-CG 3.4Å; H63-V337 PolarHBondContact ND1-N 2.65Å
64H98.4Very high98.5Very high137 Ų13743.4 Ų43.463%0.63423%0.225SC*.  trans57.222.1161.4-156.2-129000116.8H59 Q60 D61 N66H59-H64 VanDerWaalsContact O-CA 3.32Å; H59-H64 WeakPolarHBondContact O-CA 3.26Å; H59-H64 PolarHBondContact O-N 2.95Å; Q60-H64 PolarHBondContact O-N 3.08Å; D61-H64 WeakPolarHBondContact O-CB 3.42Å; H64-N66 PolarHBondContact O-ND2 3.15Å
65F98.8Very high98.5Very high32 Ų3243.3 Ų43.314%0.1422%0.223CC..  trans-72.2143.5174.3-68.5-76.9000111M55 Y56 G57 L58 H59 H63 H334 V337M55-F65 VanDerWaalsContact SD-C 3.53Å; M55-F65 HydrophobicContact SD-CB 3.92Å; Y56-F65 HydrophobicContact CD2-CD1 4.24Å; Y56-F65 HydrophobicContact CD2-CE1 4.16Å; Y56-F65 HydrophobicContact CG-CD1 4.47Å; Y56-F65 HydrophobicContact CG-CE1 4.5Å; G57-F65 VanDerWaalsContact C-CD2 3.47Å; L58-F65 WeakPolarHBondContact O-CD2 3.33Å; L58-F65 PolarHBondContact O-N 2.96Å; H59-F65 WeakPolarHBondContact CA-O 3.39Å; H59-F65 PolarHBondContact ND1-O 2.97Å; H63-F65 WeakPolarHBondContact O-CD2 3.38Å; H63-F65 PolarHBondContact O-N 2.91Å; F65-H334 HydrophobicContact CE2-CB 4.11Å; F65-H334 HydrophobicContact CZ-CB 4.18Å; F65-H334 AromaticContact CZ-CG 3.86Å; F65-H334 AromaticContact CZ-ND1 3.86Å; F65-V337 HydrophobicContact CE2-CB 4.08Å; F65-V337 HydrophobicContact CE2-CG2 4.19Å; F65-V337 HydrophobicContact CZ-CG2 4.16Å
66N98.9Very high98.5Very high52 Ų5244.8 Ų44.828%0.27823%0.231SC..  trans-138.9150.2175.9-80.4-80.4000108.9G54 H59 H64 G94G54-N66 CarbonylContact C-O 3.51Å; G54-N66 VanDerWaalsContact O-O 3.1Å; H59-N66 PolarHBondContact CE1-OD1 2.93Å; H59-N66 PolarHBondContact ND1-OD1 3.15Å; H64-N66 PolarHBondContact O-ND2 3.15Å; N66-G94 WeakPolarHBondContact OD1-CA 3.48Å; N66-G94 PolarHBondContact OD1-O 3.4Å
67S98.9Very high98.5Very high3 Ų343 Ų432%0.02123%0.225CC..  trans-69.8158.1168.2-67.10000111.1N53 G94 P95 Y99N53-S67 CarbonylContact O-C 3.42Å; N53-S67 WeakPolarHBondContact O-CA 3.35Å; N53-S67 WeakPolarHBondContact O-CB 3.42Å; N53-S67 PolarHBondContact O-OG 2.83Å; S67-G94 PolarHBondContact N-O 2.89Å; S67-P95 VanDerWaalsContact O-CD 3.32Å; S67-P95 WeakPolarHBondContact O-CD 3.3Å; S67-Y99 WeakPolarHBondContact CB-OH 3.47Å; S67-Y99 PolarHBondContact OG-OH 3.35Å
68F98.8Very high98.5Very high52 Ų5243 Ų4323%0.22823%0.225CC..  trans-68.5142.3179.1-55.3-59.4000112.4Q52 N53 G54 Y56 S70 V71 V98 I302 F303Q52-F68 WeakPolarHBondContact O-CE2 3.44Å; N53-F68 WeakPolarHBondContact O-CD2 3.26Å; N53-F68 PolarHBondContact O-N 3.16Å; G54-F68 VanDerWaalsContact CA-CE2 3.45Å; Y56-F68 WeakPolarHBondContact OH-CZ 3.5Å; F68-S70 PolarHBondContact O-N 3.06Å; F68-V71 HydrophobicContact CB-CG2 4.09Å; F68-V71 VanDerWaalsContact O-CB 3.27Å; F68-V71 WeakPolarHBondContact O-CB 3.5Å; F68-V71 VanDerWaalsContact O-CG2 3.31Å; F68-V71 WeakPolarHBondContact O-CG2 3.43Å; F68-V71 PolarHBondContact O-N 3.32Å; F68-V98 WeakPolarHBondContact O-CG2 3.38Å; F68-I302 HydrophobicContact CB-CG2 3.77Å; F68-I302 HydrophobicContact CD2-CG2 3.86Å; F68-I302 HydrophobicContact CG-CG2 4.03Å; F68-F303 HydrophobicContact CB-CZ 4.44Å; F68-F303 HydrophobicContact CD1-CE2 4.4Å; F68-F303 AromaticContact CD1-CZ 3.63Å; F68-F303 HydrophobicContact CD1-CZ 3.63Å; F68-F303 AromaticContact CD2-CE2 3.75Å; F68-F303 HydrophobicContact CD2-CE2 3.75Å; F68-F303 AromaticContact CD2-CZ 3.77Å; F68-F303 HydrophobicContact CD2-CZ 3.77Å; F68-F303 HydrophobicContact CE1-CE2 4.22Å; F68-F303 AromaticContact CE1-CZ 3.62Å; F68-F303 HydrophobicContact CE1-CZ 3.62Å; F68-F303 AromaticContact CE2-CE2 3.53Å; F68-F303 HydrophobicContact CE2-CE2 3.53Å; F68-F303 AromaticContact CE2-CZ 3.76Å; F68-F303 HydrophobicContact CE2-CZ 3.76Å; F68-F303 HydrophobicContact CG-CE2 4.17Å; F68-F303 AromaticContact CG-CZ 3.68Å; F68-F303 HydrophobicContact CG-CZ 3.68Å; F68-F303 AromaticContact CZ-CE2 3.76Å; F68-F303 HydrophobicContact CZ-CE2 3.76Å; F68-F303 AromaticContact CZ-CZ 3.66Å; F68-F303 HydrophobicContact CZ-CZ 3.66Å
69D98.6Very high98.5Very high138 Ų13844.3 Ų44.374%0.73824%0.235SC*.THydrogen-bonded Turntrans-55.6-30.3-175.5-63.1-13.9000114.6V71D69-V71 VanDerWaalsContact C-N 3.34Å
70S98.1Very high98.5Very high59 Ų5948.1 Ų48.141%0.41325%0.253SS..THydrogen-bonded Turntrans-84.4-5.1-178.6-59.50000114F68 Q72 Y300F68-S70 PolarHBondContact O-N 3.06Å; S70-Q72 PolarHBondContact O-N 2.87Å; S70-Q72 PolarHBondContact O-NE2 3.17Å; S70-Y300 WeakPolarHBondContact O-CE2 3.32Å
71V98.8Very high98.6Very high0 Ų047.5 Ų47.50%026%0.257CS..  trans-61.5130.3178.3169.20000110.2T46 L48 N53 F68 D69 S73 V98 I302T46-V71 HydrophobicContact CG2-CG1 3.51Å; L48-V71 HydrophobicContact CD1-CG1 4.46Å; N53-V71 HydrophobicContact CB-CG2 4.46Å; F68-V71 HydrophobicContact CB-CG2 4.09Å; F68-V71 VanDerWaalsContact O-CB 3.27Å; F68-V71 WeakPolarHBondContact O-CB 3.5Å; F68-V71 VanDerWaalsContact O-CG2 3.31Å; F68-V71 WeakPolarHBondContact O-CG2 3.43Å; F68-V71 PolarHBondContact O-N 3.32Å; D69-V71 VanDerWaalsContact C-N 3.34Å; V71-S73 PolarHBondContact O-N 2.78Å; V71-V98 HydrophobicContact CB-CG1 3.94Å; V71-V98 HydrophobicContact CG1-CG1 3.94Å; V71-I302 HydrophobicContact CG2-CD1 3.78Å; V71-I302 HydrophobicContact CG2-CG1 4.3Å
72Q98.7Very high98.6Very high41 Ų4148.5 Ų48.519%0.19226%0.257CS..  trans-95.192174.5-58.1-59.7-55.300108.9S70 L77 P298 Y300S70-Q72 PolarHBondContact O-N 2.87Å; S70-Q72 PolarHBondContact O-NE2 3.17Å; Q72-L77 HydrophobicContact CB-CD1 4.38Å; Q72-L77 HydrophobicContact CB-CD2 4.05Å; Q72-L77 HydrophobicContact CB-CG 4.25Å; Q72-P298 HydrophobicContact CB-CG 4.26Å; Q72-P298 HydrophobicContact CG-CG 4.12Å; Q72-Y300 HydrophobicContact CB-CE1 3.91Å; Q72-Y300 HydrophobicContact CG-CD1 3.9Å; Q72-Y300 HydrophobicContact CG-CD2 4.05Å; Q72-Y300 HydrophobicContact CG-CE1 3.71Å; Q72-Y300 HydrophobicContact CG-CE2 3.88Å; Q72-Y300 HydrophobicContact CG-CG 4.06Å; Q72-Y300 PolarHBondContact N-OH 2.73Å
73S98.9Very high98.7Very high0 Ų043.6 Ų43.60%023%0.227CC..  trans-74.5160.4179810000111.9L45 V71 P75 L76 L77 V98L45-S73 CarbonylContact O-C 3.59Å; L45-S73 WeakPolarHBondContact O-CA 3.28Å; L45-S73 WeakPolarHBondContact O-CB 3.29Å; V71-S73 PolarHBondContact O-N 2.78Å; S73-P75 VanDerWaalsContact OG-CD 3.26Å; S73-P75 WeakPolarHBondContact OG-CD 3.34Å; S73-P75 WeakPolarHBondContact OG-CG 3.3Å; S73-L76 WeakPolarHBondContact O-CB 3.34Å; S73-L76 PolarHBondContact O-N 3.41Å; S73-L76 PolarHBondContact OG-N 3.11Å; S73-L77 VanDerWaalsContact O-CG 3.31Å; S73-L77 WeakPolarHBondContact O-CG 3.38Å; S73-L77 PolarHBondContact O-N 2.93Å; S73-V98 WeakPolarHBondContact CB-O 3.3Å; S73-V98 PolarHBondContact OG-O 3.25Å
74L98.9Very high98.7Very high2 Ų244.1 Ų44.11%0.0123%0.229CC..Hα-helixtrans-50.2-57.5172.7178.266.1000112.4L45 L76 L77 L78 F139 T286 I289 L290L45-L74 WeakPolarHBondContact O-CB 3.43Å; L45-L74 PolarHBondContact O-N 3.14Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 2.86Å; L74-L77 PolarHBondContact O-N 2.85Å; L74-L77 VanDerWaalsContact O-N 3.14Å; L74-L78 HydrophobicContact CD1-CD1 3.87Å; L74-L78 HydrophobicContact CD1-CD2 4.14Å; L74-L78 HydrophobicContact CD1-CG 3.87Å; L74-L78 HydrophobicContact CG-CD1 3.83Å; L74-L78 HydrophobicContact CG-CG 4.2Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 VanDerWaalsContact O-CG 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.37Å; L74-F139 HydrophobicContact CD2-CE2 4.35Å; L74-F139 HydrophobicContact CD2-CZ 4.09Å; L74-T286 HydrophobicContact CB-CG2 4.31Å; L74-T286 HydrophobicContact CD1-CG2 4.37Å; L74-I289 HydrophobicContact CD1-CB 4.09Å; L74-I289 HydrophobicContact CD1-CG2 3.91Å; L74-I289 HydrophobicContact CD2-CB 4.2Å; L74-I289 HydrophobicContact CD2-CD1 3.62Å; L74-I289 HydrophobicContact CD2-CG2 4.17Å; L74-L290 HydrophobicContact CD1-CD2 3.78Å; L74-L290 HydrophobicContact CD1-CG 3.92Å
75P98.9Very high98.7Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-63.6-30-177.426.9-37000113.3S73 S79 T85 P100 F101S73-P75 VanDerWaalsContact OG-CD 3.26Å; S73-P75 WeakPolarHBondContact OG-CD 3.34Å; S73-P75 WeakPolarHBondContact OG-CG 3.3Å; P75-S79 WeakPolarHBondContact O-CB 3.39Å; P75-S79 PolarHBondContact O-N 2.64Å; P75-T85 HydrophobicContact CB-CG2 4.29Å; P75-P100 WeakPolarHBondContact CB-O 3.46Å; P75-F101 HydrophobicContact CB-CD1 4.27Å; P75-F101 HydrophobicContact CB-CE1 3.82Å; P75-F101 HydrophobicContact CB-CE2 4.15Å; P75-F101 HydrophobicContact CB-CZ 3.76Å; P75-F101 HydrophobicContact CG-CE1 4.39Å; P75-F101 HydrophobicContact CG-CE2 4Å; P75-F101 HydrophobicContact CG-CZ 3.81Å
76L98.9Very high98.7Very high32 Ų3236.1 Ų36.117%0.16819%0.192CC..Hα-helixtrans-65-49.3172.2177.363.7000111.5S73 L74 L78 S79 Q80 P100S73-L76 WeakPolarHBondContact O-CB 3.34Å; S73-L76 PolarHBondContact O-N 3.41Å; S73-L76 PolarHBondContact OG-N 3.11Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 2.86Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-L78 PolarHBondContact O-N 3.44Å; L76-S79 PolarHBondContact O-N 3.04Å; L76-Q80 WeakPolarHBondContact O-CG 3.49Å; L76-Q80 PolarHBondContact O-N 2.81Å; L76-P100 HydrophobicContact CB-CG 4.11Å; L76-P100 HydrophobicContact CD1-CG 3.97Å
77L98.9Very high98.7Very high8 Ų833.6 Ų33.64%0.04218%0.179CC..Hα-helixtrans-63-40.5179.4-68175.1000112.1Q72 S73 L74 Q80 A81 L290 Y297 P298Q72-L77 HydrophobicContact CB-CD1 4.38Å; Q72-L77 HydrophobicContact CB-CD2 4.05Å; Q72-L77 HydrophobicContact CB-CG 4.25Å; S73-L77 VanDerWaalsContact O-CG 3.31Å; S73-L77 WeakPolarHBondContact O-CG 3.38Å; S73-L77 PolarHBondContact O-N 2.93Å; L74-L77 PolarHBondContact O-N 2.85Å; L74-L77 VanDerWaalsContact O-N 3.14Å; L77-Q80 PolarHBondContact O-N 2.9Å; L77-A81 WeakPolarHBondContact O-CB 3.36Å; L77-A81 PolarHBondContact O-N 2.77Å; L77-A81 VanDerWaalsContact O-N 3.08Å; L77-L290 HydrophobicContact CB-CD2 4.15Å; L77-L290 HydrophobicContact CD1-CD1 4.12Å; L77-L290 HydrophobicContact CD1-CD2 4.26Å; L77-Y297 HydrophobicContact CD1-CD2 3.75Å; L77-Y297 HydrophobicContact CD1-CE2 3.83Å; L77-P298 HydrophobicContact CD2-CG 3.78Å
78L98.9Very high98.7Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-63.2-45.3175.5-65.6179.3000111.1L74 L76 Q80 A81 H82 I83 T85 F139 I289 L290 F293 I295L74-L78 HydrophobicContact CD1-CD1 3.87Å; L74-L78 HydrophobicContact CD1-CD2 4.14Å; L74-L78 HydrophobicContact CD1-CG 3.87Å; L74-L78 HydrophobicContact CG-CD1 3.83Å; L74-L78 HydrophobicContact CG-CG 4.2Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 VanDerWaalsContact O-CG 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.37Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-L78 PolarHBondContact O-N 3.44Å; L78-Q80 PolarHBondContact O-N 3.34Å; L78-A81 CarbonylContact O-C 3.6Å; L78-A81 PolarHBondContact O-N 2.88Å; L78-A81 VanDerWaalsContact O-N 3.12Å; L78-H82 PolarHBondContact O-N 2.92Å; L78-I83 HydrophobicContact CB-CB 4.08Å; L78-I83 HydrophobicContact CB-CD1 4.42Å; L78-I83 HydrophobicContact CB-CG2 4.29Å; L78-I83 HydrophobicContact CD2-CD1 3.64Å; L78-I83 WeakPolarHBondContact O-CB 3.46Å; L78-I83 PolarHBondContact O-N 2.79Å; L78-T85 HydrophobicContact CB-CG2 3.87Å; L78-F139 HydrophobicContact CD1-CB 3.54Å; L78-F139 HydrophobicContact CD1-CD1 3.68Å; L78-F139 HydrophobicContact CD1-CD2 4.06Å; L78-F139 HydrophobicContact CD1-CE1 4.38Å; L78-F139 HydrophobicContact CD1-CG 3.48Å; L78-F139 VanDerWaalsContact CD1-CG 3.48Å; L78-I289 HydrophobicContact CD1-CG2 4.3Å; L78-I289 HydrophobicContact CD2-CG2 4.45Å; L78-L290 HydrophobicContact CD2-CD2 4.35Å; L78-F293 HydrophobicContact CD2-CD2 3.7Å; L78-F293 HydrophobicContact CD2-CE2 4.23Å; L78-F293 HydrophobicContact CD2-CG 4.4Å; L78-I295 HydrophobicContact CD2-CD1 3.69Å
79S98.6Very high98.7Very high37 Ų3731 Ų3126%0.25917%0.167SC..Hα-helixtrans-60.6-43.9177.2-175.70000112P75 L76 A81 H82P75-S79 WeakPolarHBondContact O-CB 3.39Å; P75-S79 PolarHBondContact O-N 2.64Å; L76-S79 PolarHBondContact O-N 3.04Å; S79-A81 PolarHBondContact O-N 2.83Å; S79-H82 PolarHBondContact O-N 3.23Å
80Q98.6Very high98.7Very high115 Ų11525.2 Ų25.254%0.53714%0.135SC..Hα-helixtrans-61.3-31.6175.2-71.8173.43.200112.9L76 L77 L78 H82L76-Q80 WeakPolarHBondContact O-CG 3.49Å; L76-Q80 PolarHBondContact O-N 2.81Å; L77-Q80 PolarHBondContact O-N 2.9Å; L78-Q80 PolarHBondContact O-N 3.34Å; Q80-H82 PolarHBondContact O-N 2.87Å
81A98.7Very high98.8Very high42 Ų4222.5 Ų22.535%0.34712%0.116SC..THydrogen-bonded Turntrans-85.316.8174.600000113.6L77 L78 S79 I83 I295L77-A81 WeakPolarHBondContact O-CB 3.36Å; L77-A81 PolarHBondContact O-N 2.77Å; L77-A81 VanDerWaalsContact O-N 3.08Å; L78-A81 CarbonylContact O-C 3.6Å; L78-A81 PolarHBondContact O-N 2.88Å; L78-A81 VanDerWaalsContact O-N 3.12Å; S79-A81 PolarHBondContact O-N 2.83Å; A81-I83 VanDerWaalsContact C-N 3.28Å; A81-I83 PolarHBondContact O-N 3.36Å; A81-I295 HydrophobicContact CB-CD1 3.36Å; A81-I295 HydrophobicContact CB-CG1 3.81Å
82H98.1Very high98.8Very high141 Ų14123.1 Ų23.165%0.65312%0.119SC*.THydrogen-bonded Turntrans60.132.2-179.3-57.3-59.8000114.6L78 S79 Q80 R136L78-H82 PolarHBondContact O-N 2.92Å; S79-H82 PolarHBondContact O-N 3.23Å; Q80-H82 PolarHBondContact O-N 2.87Å; H82-R136 WeakPolarHBondContact O-CB 3.23Å; H82-R136 VanDerWaalsContact O-CD 3.29Å; H82-R136 WeakPolarHBondContact O-CD 3.41Å; H82-R136 WeakPolarHBondContact O-CG 3.26Å
83I98.7Very high98.8Very high7 Ų721.2 Ų21.24%0.03611%0.11CC..  trans-96.6129.4169.6-61.6169.5000108.3L78 A81 T85 P137 F139 F293 I295L78-I83 HydrophobicContact CB-CB 4.08Å; L78-I83 HydrophobicContact CB-CD1 4.42Å; L78-I83 HydrophobicContact CB-CG2 4.29Å; L78-I83 HydrophobicContact CD2-CD1 3.64Å; L78-I83 WeakPolarHBondContact O-CB 3.46Å; L78-I83 PolarHBondContact O-N 2.79Å; A81-I83 VanDerWaalsContact C-N 3.28Å; A81-I83 PolarHBondContact O-N 3.36Å; I83-T85 PolarHBondContact O-N 3.02Å; I83-P137 WeakPolarHBondContact CA-O 3.42Å; I83-P137 HydrophobicContact CG1-CB 4.32Å; I83-P137 WeakPolarHBondContact CG2-O 3.23Å; I83-F139 HydrophobicContact CG2-CB 4.17Å; I83-F293 HydrophobicContact CD1-CB 3.64Å; I83-F293 HydrophobicContact CD1-CD1 3.47Å; I83-F293 VanDerWaalsContact CD1-CD1 3.47Å; I83-F293 HydrophobicContact CD1-CD2 3.76Å; I83-F293 HydrophobicContact CD1-CE1 3.99Å; I83-F293 HydrophobicContact CD1-CE2 4.25Å; I83-F293 HydrophobicContact CD1-CG 3.34Å; I83-F293 HydrophobicContact CD1-CZ 4.36Å; I83-F293 HydrophobicContact CG1-CD1 4.36Å; I83-F293 HydrophobicContact CG2-CZ 4.36Å; I83-I295 HydrophobicContact CD1-CD1 3.55Å
84R98.7Very high98.7Very high29 Ų2921.2 Ų21.211%0.10911%0.11CC..EExtended strand (participates in β ladder)trans-71.3125.8176.2-176.1-172.7-178-1486.4110.4D102 F129 S132 D134 R136 P137 F138 F139R84-D102 WeakPolarHBondContact CA-OD2 3.43Å; R84-D102 HydrophobicContact CG-CB 4.3Å; R84-F129 HydrophobicContact CG-CE2 4.18Å; R84-F129 HydrophobicContact CG-CZ 4.24Å; R84-F129 VanDerWaalsContact CZ-CE2 3.5Å; R84-F129 PolarHBondContact NH1-O 3.04Å; R84-F129 PolarHBondContact NH2-O 3.38Å; R84-S132 PolarHBondContact NH1-OG 3.26Å; R84-S132 PolarHBondContact NH2-OG 2.95Å; R84-D134 VanDerWaalsContact CD-OD2 3.31Å; R84-D134 WeakPolarHBondContact CD-OD2 3.46Å; R84-D134 IonicContact NE-OD2 2.66Å; R84-R136 HydrophobicContact CB-CB 4.33Å; R84-P137 PolarHBondContact N-O 3.13Å; R84-F138 HydrophobicContact CB-CB 4.46Å; R84-F138 CarbonylContact O-C 3.57Å; R84-F138 VanDerWaalsContact O-CA 3.27Å; R84-F138 WeakPolarHBondContact O-CA 3.47Å; R84-F139 PolarHBondContact O-N 3.05Å
85T98.9Very high98.7Very high0 Ų022.7 Ų22.70%012%0.12CC..EExtended strand (participates in β ladder)trans-105.5135-17956.50000111.9P75 L78 I83 F101 D102 F103 F139P75-T85 HydrophobicContact CB-CG2 4.29Å; L78-T85 HydrophobicContact CB-CG2 3.87Å; I83-T85 PolarHBondContact O-N 3.02Å; T85-F101 WeakPolarHBondContact OG1-CA 3.26Å; T85-D102 WeakPolarHBondContact O-CB 3.24Å; T85-D102 PolarHBondContact O-N 2.9Å; T85-D102 PolarHBondContact OG1-N 3.45Å; T85-F103 PolarHBondContact O-N 3.37Å; T85-F139 CarbonylContact C-O 3.57Å; T85-F139 WeakPolarHBondContact CA-O 3.14Å; T85-F139 HydrophobicContact CG2-CD1 4.37Å
86G98.8Very high98.7Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-132.3142.8176.600000112.4F103 F139 Y141G86-F103 CarbonylContact C-O 3.58Å; G86-F103 VanDerWaalsContact CA-O 3.26Å; G86-F103 WeakPolarHBondContact CA-O 3.1Å; G86-F139 PolarHBondContact N-O 3.45Å; G86-Y141 PolarHBondContact O-N 3.15Å
87I98.9Very high98.7Very high0 Ų029.4 Ų29.40%016%0.164CC..EExtended strand (participates in β ladder)trans-131.6133.8170.9-173.8173.9000110.9K91 F101 F103 A104 Y105 T106 Y141I87-K91 HydrophobicContact CD1-CB 3.81Å; I87-K91 HydrophobicContact CD1-CG 3.9Å; I87-F101 HydrophobicContact CB-CB 4.5Å; I87-F101 HydrophobicContact CB-CD1 3.75Å; I87-F101 HydrophobicContact CB-CD2 4.12Å; I87-F101 HydrophobicContact CB-CE1 3.87Å; I87-F101 HydrophobicContact CB-CE2 4.24Å; I87-F101 HydrophobicContact CB-CG 3.87Å; I87-F101 HydrophobicContact CB-CZ 4.12Å; I87-F101 HydrophobicContact CD1-CE2 4.11Å; I87-F101 HydrophobicContact CD1-CZ 4.25Å; I87-F101 HydrophobicContact CG2-CB 3.73Å; I87-F101 HydrophobicContact CG2-CD1 3.91Å; I87-F101 HydrophobicContact CG2-CD2 3.68Å; I87-F101 HydrophobicContact CG2-CE1 4.42Å; I87-F101 HydrophobicContact CG2-CE2 4.22Å; I87-F101 HydrophobicContact CG2-CG 3.5Å; I87-F101 VanDerWaalsContact CG2-CG 3.5Å; I87-F103 PolarHBondContact N-O 2.86Å; I87-A104 HydrophobicContact CG2-CB 3.77Å; I87-Y105 PolarHBondContact O-N 2.69Å; I87-T106 HydrophobicContact CD1-CG2 4.05Å; I87-T106 HydrophobicContact CG1-CG2 4.15Å; I87-T106 HydrophobicContact CG2-CG2 3.68Å; I87-Y141 WeakPolarHBondContact CA-O 3.46Å; I87-Y141 HydrophobicContact CD1-CD1 3.63Å; I87-Y141 HydrophobicContact CD1-CE1 4Å; I87-Y141 HydrophobicContact CG1-CD1 3.75Å; I87-Y141 HydrophobicContact CG1-CE1 4.47Å
88I98.9Very high98.7Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans-131.7123.5173.2-59.9163.3000107.8F103 Y105 I122 L125 V126 L140 Y141 A143I88-F103 HydrophobicContact CD1-CE1 4.1Å; I88-F103 HydrophobicContact CG1-CD1 4.46Å; I88-F103 HydrophobicContact CG1-CE1 3.89Å; I88-Y105 WeakPolarHBondContact CA-O 3.31Å; I88-I122 HydrophobicContact CG2-CG1 4.28Å; I88-I122 HydrophobicContact CG2-CG2 4.25Å; I88-L125 HydrophobicContact CD1-CB 3.65Å; I88-L125 HydrophobicContact CG1-CB 4.09Å; I88-L125 HydrophobicContact CG2-CB 4.25Å; I88-L125 HydrophobicContact CG2-CD1 3.9Å; I88-V126 HydrophobicContact CD1-CB 4.46Å; I88-V126 HydrophobicContact CD1-CG2 3.66Å; I88-L140 HydrophobicContact CD1-CD1 4.14Å; I88-Y141 PolarHBondContact N-O 3.08Å; I88-A143 PolarHBondContact O-N 2.61Å
89G98.8Very high98.7Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans110.5-146.5177.500000113.1K91 Y105 T106 V115 A143G89-K91 PolarHBondContact O-N 2.99Å; G89-Y105 PolarHBondContact N-O 3.01Å; G89-T106 VanDerWaalsContact O-CA 3.23Å; G89-T106 WeakPolarHBondContact O-CA 3.48Å; G89-V115 WeakPolarHBondContact CA-O 3.49Å; G89-V115 PolarHBondContact N-O 3.06Å; G89-A143 CarbonylContact C-O 3.56Å; G89-A143 WeakPolarHBondContact CA-O 3.48Å
90K98.8Very high98.7Very high17 Ų1728.8 Ų28.87%0.07416%0.16CC..  trans-80.5114.7-171.9-179.1174.3177.5-171.60111.4R41 H92 E107 V112 A143R41-K90 PolarHBondContact NH1-O 3.38Å; K90-H92 HydrophobicContact CD-CB 4.4Å; K90-H92 WeakPolarHBondContact CE-ND1 3.48Å; K90-H92 HydrophobicContact CG-CB 3.9Å; K90-H92 PolarHBondContact NZ-CE1 3.22Å; K90-H92 PolarHBondContact NZ-ND1 3.43Å; K90-E107 WeakPolarHBondContact CA-OE2 3.47Å; K90-V112 HydrophobicContact CB-CG2 4.37Å; K90-A143 PolarHBondContact N-O 2.64Å; K90-A143 WeakPolarHBondContact O-CB 3.26Å
91K98.8Very high98.7Very high1 Ų124 Ų240%0.00414%0.137CC..  trans-81.2-61.9176.5-174.3177.3-173.61660111.1I87 G89 V93 E96 Y99 T106 E107 E108I87-K91 HydrophobicContact CD1-CB 3.81Å; I87-K91 HydrophobicContact CD1-CG 3.9Å; G89-K91 PolarHBondContact O-N 2.99Å; K91-V93 HydrophobicContact CG-CG2 3.92Å; K91-V93 PolarHBondContact O-N 3.08Å; K91-E96 IonicContact NZ-OE1 2.66Å; K91-E96 IonicContact NZ-OE2 3.16Å; K91-E96 PolarHBondContact NZ-OE2 3.13Å; K91-Y99 WeakPolarHBondContact CE-O 3.17Å; K91-Y99 PolarHBondContact NZ-O 2.84Å; K91-T106 HydrophobicContact CB-CG2 3.87Å; K91-T106 HydrophobicContact CD-CG2 4.45Å; K91-E107 PolarHBondContact N-OE1 3.38Å; K91-E107 PolarHBondContact N-OE2 3.35Å; K91-E108 VanDerWaalsContact CD-OE2 3.29Å; K91-E108 WeakPolarHBondContact CD-OE2 3.3Å; K91-E108 IonicContact NZ-OE2 3.9Å
92H98.4Very high98.7Very high14 Ų1425.8 Ų25.87%0.06514%0.141CC..  trans57.827.2173-151-163.7000115.4C37 S38 H59 Q60 K90 E107C37-H92 WeakPolarHBondContact CB-ND1 3.3Å; S38-H92 WeakPolarHBondContact CA-O 3.4Å; S38-H92 WeakPolarHBondContact CB-O 3.27Å; S38-H92 PolarHBondContact OG-CD2 3.44Å; S38-H92 PolarHBondContact OG-O 3.12Å; H59-H92 WeakPolarHBondContact CB-O 3.35Å; Q60-H92 VanDerWaalsContact CD-NE2 3.34Å; Q60-H92 PolarHBondContact OE1-CE1 3.24Å; Q60-H92 PolarHBondContact OE1-NE2 3.23Å; K90-H92 HydrophobicContact CD-CB 4.4Å; K90-H92 WeakPolarHBondContact CE-ND1 3.48Å; K90-H92 HydrophobicContact CG-CB 3.9Å; K90-H92 PolarHBondContact NZ-CE1 3.22Å; K90-H92 PolarHBondContact NZ-ND1 3.43Å; H92-E107 VanDerWaalsContact CA-OE1 3.27Å; H92-E107 WeakPolarHBondContact CA-OE1 3.38Å; H92-E107 PolarHBondContact N-OE1 3.31Å
93V98.8Very high98.7Very high0 Ų020 Ų200%011%0.114CC..  trans-145.1151.6178.8-63.30000110.3R41 A42 L45 M55 K91 Y99R41-V93 HydrophobicContact CB-CG1 3.62Å; A42-V93 HydrophobicContact CB-CG1 4.13Å; L45-V93 HydrophobicContact CD1-CG2 4.24Å; M55-V93 HydrophobicContact CE-CB 3.89Å; M55-V93 HydrophobicContact CE-CG1 4.16Å; K91-V93 HydrophobicContact CG-CG2 3.92Å; K91-V93 PolarHBondContact O-N 3.08Å; V93-Y99 HydrophobicContact CB-CD2 4.23Å; V93-Y99 HydrophobicContact CB-CE2 4.17Å; V93-Y99 HydrophobicContact CG2-CD1 4.14Å; V93-Y99 HydrophobicContact CG2-CD2 3.97Å; V93-Y99 HydrophobicContact CG2-CE1 4.45Å; V93-Y99 HydrophobicContact CG2-CE2 4.3Å; V93-Y99 HydrophobicContact CG2-CG 3.88Å
94G98.3Very high98.7Very high1 Ų121 Ų211%0.0112%0.123CC..  trans-153.7173.6176.600000112.1M55 N66 S67 Y99M55-G94 WeakPolarHBondContact CE-O 3.35Å; N66-G94 WeakPolarHBondContact OD1-CA 3.48Å; N66-G94 PolarHBondContact OD1-O 3.4Å; S67-G94 PolarHBondContact N-O 2.89Å; G94-Y99 WeakPolarHBondContact O-CE2 3.48Å
95P98.7Very high98.7Very high32 Ų3222.2 Ų22.221%0.20813%0.128CC..  cis-82.5166.24.933.9-36.3000113.1S67 A97 V98 Y99S67-P95 VanDerWaalsContact O-CD 3.32Å; S67-P95 WeakPolarHBondContact O-CD 3.3Å; P95-A97 PolarHBondContact O-N 2.94Å; P95-V98 HydrophobicContact CG-CB 4.18Å; P95-V98 HydrophobicContact CG-CG2 3.77Å; P95-V98 PolarHBondContact O-N 3.33Å; P95-Y99 PolarHBondContact O-N 3.38Å; P95-Y99 VanDerWaalsContact O-N 3.09Å
96E98.4Very high98.7Very high92 Ų9222.2 Ų22.243%0.4313%0.128SC..THydrogen-bonded Turntrans-53.4-40.2178-177.359.7-149.900112.6K91 V98 Y99 P100K91-E96 IonicContact NZ-OE1 2.66Å; K91-E96 IonicContact NZ-OE2 3.16Å; K91-E96 PolarHBondContact NZ-OE2 3.13Å; E96-V98 PolarHBondContact O-N 3.23Å; E96-Y99 CarbonylContact O-C 3.54Å; E96-Y99 PolarHBondContact O-N 2.69Å; E96-Y99 VanDerWaalsContact O-N 3.13Å; E96-P100 WeakPolarHBondContact O-CA 3.36Å; E96-P100 VanDerWaalsContact O-N 3.12Å
97A98.4Very high98.7Very high81 Ų8125.1 Ų25.167%0.66914%0.142SC*.THydrogen-bonded Turntrans-61.7-28.8179.700000113.3P95P95-A97 PolarHBondContact O-N 2.94Å
98V98.9Very high98.6Very high0 Ų029.9 Ų29.90%016%0.164CC..THydrogen-bonded Turntrans-85.4-35.1175.7173.40000110.6F68 V71 S73 P95 E96 P100F68-V98 WeakPolarHBondContact O-CG2 3.38Å; V71-V98 HydrophobicContact CB-CG1 3.94Å; V71-V98 HydrophobicContact CG1-CG1 3.94Å; S73-V98 WeakPolarHBondContact CB-O 3.3Å; S73-V98 PolarHBondContact OG-O 3.25Å; P95-V98 HydrophobicContact CG-CB 4.18Å; P95-V98 HydrophobicContact CG-CG2 3.77Å; P95-V98 PolarHBondContact O-N 3.33Å; E96-V98 PolarHBondContact O-N 3.23Å; V98-P100 WeakPolarHBondContact O-CD 3.27Å
99Y98.9Very high98.6Very high0 Ų034.2 Ų34.20%019%0.187CC..SBendtrans-117.961.1-177.3-57.6-79.4000113.1A42 L45 T46 S67 K91 V93 G94 P95 E96 F101A42-Y99 WeakPolarHBondContact CB-OH 3.33Å; L45-Y99 HydrophobicContact CB-CD1 4.16Å; L45-Y99 HydrophobicContact CB-CE1 3.9Å; L45-Y99 HydrophobicContact CD1-CD1 4.18Å; L45-Y99 HydrophobicContact CD1-CE1 4.47Å; T46-Y99 HydrophobicContact CG2-CE1 3.9Å; T46-Y99 WeakPolarHBondContact CG2-OH 3.12Å; S67-Y99 WeakPolarHBondContact CB-OH 3.47Å; S67-Y99 PolarHBondContact OG-OH 3.35Å; K91-Y99 WeakPolarHBondContact CE-O 3.17Å; K91-Y99 PolarHBondContact NZ-O 2.84Å; V93-Y99 HydrophobicContact CB-CD2 4.23Å; V93-Y99 HydrophobicContact CB-CE2 4.17Å; V93-Y99 HydrophobicContact CG2-CD1 4.14Å; V93-Y99 HydrophobicContact CG2-CD2 3.97Å; V93-Y99 HydrophobicContact CG2-CE1 4.45Å; V93-Y99 HydrophobicContact CG2-CE2 4.3Å; V93-Y99 HydrophobicContact CG2-CG 3.88Å; G94-Y99 WeakPolarHBondContact O-CE2 3.48Å; P95-Y99 PolarHBondContact O-N 3.38Å; P95-Y99 VanDerWaalsContact O-N 3.09Å; E96-Y99 CarbonylContact O-C 3.54Å; E96-Y99 PolarHBondContact O-N 2.69Å; E96-Y99 VanDerWaalsContact O-N 3.13Å; Y99-F101 WeakPolarHBondContact O-CD2 3.09Å
100P98.8Very high98.5Very high32 Ų3235.8 Ų35.821%0.20820%0.198CC..  trans-79.3141.1-175.832.9-36.3000112P75 L76 E96 V98P75-P100 WeakPolarHBondContact CB-O 3.46Å; L76-P100 HydrophobicContact CB-CG 4.11Å; L76-P100 HydrophobicContact CD1-CG 3.97Å; E96-P100 WeakPolarHBondContact O-CA 3.36Å; E96-P100 VanDerWaalsContact O-N 3.12Å; V98-P100 WeakPolarHBondContact O-CD 3.27Å
101F98.8Very high98.5Very high16 Ų1638 Ų387%0.0722%0.216CC..  trans-131.2131.3172.9-71.4-92.2000111.5P75 T85 I87 Y99 F103 A104 F139 Y141P75-F101 HydrophobicContact CB-CD1 4.27Å; P75-F101 HydrophobicContact CB-CE1 3.82Å; P75-F101 HydrophobicContact CB-CE2 4.15Å; P75-F101 HydrophobicContact CB-CZ 3.76Å; P75-F101 HydrophobicContact CG-CE1 4.39Å; P75-F101 HydrophobicContact CG-CE2 4Å; P75-F101 HydrophobicContact CG-CZ 3.81Å; T85-F101 WeakPolarHBondContact OG1-CA 3.26Å; I87-F101 HydrophobicContact CB-CB 4.5Å; I87-F101 HydrophobicContact CB-CD1 3.75Å; I87-F101 HydrophobicContact CB-CD2 4.12Å; I87-F101 HydrophobicContact CB-CE1 3.87Å; I87-F101 HydrophobicContact CB-CE2 4.24Å; I87-F101 HydrophobicContact CB-CG 3.87Å; I87-F101 HydrophobicContact CB-CZ 4.12Å; I87-F101 HydrophobicContact CD1-CE2 4.11Å; I87-F101 HydrophobicContact CD1-CZ 4.25Å; I87-F101 HydrophobicContact CG2-CB 3.73Å; I87-F101 HydrophobicContact CG2-CD1 3.91Å; I87-F101 HydrophobicContact CG2-CD2 3.68Å; I87-F101 HydrophobicContact CG2-CE1 4.42Å; I87-F101 HydrophobicContact CG2-CE2 4.22Å; I87-F101 HydrophobicContact CG2-CG 3.5Å; I87-F101 VanDerWaalsContact CG2-CG 3.5Å; Y99-F101 WeakPolarHBondContact O-CD2 3.09Å; F101-F103 PolarHBondContact O-N 3.2Å; F101-A104 HydrophobicContact CB-CB 4.32Å; F101-F139 HydrophobicContact CE1-CD1 4.41Å; F101-F139 HydrophobicContact CE1-CE1 4.01Å; F101-Y141 HydrophobicContact CZ-CD1 4.36Å
102D98.4Very high98.5Very high78 Ų7839.9 Ų39.942%0.41723%0.227SC..SBendtrans-62.3-34177.8-64.5-16.6000111.8R84 T85 R136R84-D102 WeakPolarHBondContact CA-OD2 3.43Å; R84-D102 HydrophobicContact CG-CB 4.3Å; T85-D102 WeakPolarHBondContact O-CB 3.24Å; T85-D102 PolarHBondContact O-N 2.9Å; T85-D102 PolarHBondContact OG1-N 3.45Å; D102-R136 IonicContact OD2-CZ 3.73Å; D102-R136 IonicContact OD2-NH1 3Å; D102-R136 PolarHBondContact OD2-NH1 2.8Å; D102-R136 IonicContact OD2-NH2 2.73Å; D102-R136 PolarHBondContact OD2-NH2 2.85Å
103F98.6Very high98.5Very high21 Ų2140.1 Ų40.19%0.09223%0.229CC..EExtended strand (participates in β ladder)trans-125.2111.7176.8-179.4-85.7000109.8T85 G86 I87 I88 F101 Y105 L125 K128 F129T85-F103 PolarHBondContact O-N 3.37Å; G86-F103 CarbonylContact C-O 3.58Å; G86-F103 VanDerWaalsContact CA-O 3.26Å; G86-F103 WeakPolarHBondContact CA-O 3.1Å; I87-F103 PolarHBondContact N-O 2.86Å; I88-F103 HydrophobicContact CD1-CE1 4.1Å; I88-F103 HydrophobicContact CG1-CD1 4.46Å; I88-F103 HydrophobicContact CG1-CE1 3.89Å; F101-F103 PolarHBondContact O-N 3.2Å; F103-Y105 HydrophobicContact CD1-CD2 4.03Å; F103-Y105 HydrophobicContact CD1-CE2 4.41Å; F103-Y105 HydrophobicContact CD2-CE2 4.22Å; F103-Y105 AromaticContact CE1-CD2 3.42Å; F103-Y105 HydrophobicContact CE1-CD2 3.42Å; F103-Y105 VanDerWaalsContact CE1-CD2 3.42Å; F103-Y105 AromaticContact CE1-CE2 3.79Å; F103-Y105 HydrophobicContact CE1-CE2 3.79Å; F103-Y105 HydrophobicContact CE2-CD2 4.11Å; F103-Y105 AromaticContact CE2-CE2 3.58Å; F103-Y105 HydrophobicContact CE2-CE2 3.58Å; F103-Y105 AromaticContact CZ-CD2 3.48Å; F103-Y105 HydrophobicContact CZ-CD2 3.48Å; F103-Y105 VanDerWaalsContact CZ-CD2 3.48Å; F103-Y105 AromaticContact CZ-CE2 3.33Å; F103-Y105 HydrophobicContact CZ-CE2 3.33Å; F103-L125 HydrophobicContact CZ-CD2 4.38Å; F103-K128 HydrophobicContact CE2-CD 4.18Å; F103-K128 HydrophobicContact CE2-CG 4.23Å; F103-K128 HydrophobicContact CZ-CD 4.41Å; F103-F129 HydrophobicContact CB-CD2 3.71Å; F103-F129 HydrophobicContact CB-CE2 3.92Å; F103-F129 HydrophobicContact CD1-CB 4.41Å; F103-F129 AromaticContact CD1-CD2 3.8Å; F103-F129 HydrophobicContact CD1-CD2 3.8Å; F103-F129 HydrophobicContact CD2-CD2 4.16Å; F103-F129 HydrophobicContact CE1-CB 4.18Å; F103-F129 HydrophobicContact CE1-CD2 4.41Å; F103-F129 HydrophobicContact CE2-CB 4.47Å; F103-F129 AromaticContact CG-CD2 3.65Å; F103-F129 HydrophobicContact CG-CD2 3.65Å; F103-F129 HydrophobicContact CG-CE2 4.37Å; F103-F129 HydrophobicContact CZ-CB 4.21Å
104A98.7Very high98.5Very high28 Ų2843.7 Ų43.723%0.23125%0.245CC..EExtended strand (participates in β ladder)trans-129.5119.3-176.200000112.6I87 F101 T106 N109I87-A104 HydrophobicContact CG2-CB 3.77Å; F101-A104 HydrophobicContact CB-CB 4.32Å; A104-T106 HydrophobicContact CB-CG2 4.49Å; A104-N109 PolarHBondContact O-ND2 3.34Å
105Y98.8Very high98.5Very high53 Ų5343.7 Ų43.721%0.20825%0.245CC..EExtended strand (participates in β ladder)trans-12692168-76.8-89.8000109I87 I88 G89 F103 L125 K128I87-Y105 PolarHBondContact O-N 2.69Å; I88-Y105 WeakPolarHBondContact CA-O 3.31Å; G89-Y105 PolarHBondContact N-O 3.01Å; F103-Y105 HydrophobicContact CD1-CD2 4.03Å; F103-Y105 HydrophobicContact CD1-CE2 4.41Å; F103-Y105 HydrophobicContact CD2-CE2 4.22Å; F103-Y105 AromaticContact CE1-CD2 3.42Å; F103-Y105 HydrophobicContact CE1-CD2 3.42Å; F103-Y105 VanDerWaalsContact CE1-CD2 3.42Å; F103-Y105 AromaticContact CE1-CE2 3.79Å; F103-Y105 HydrophobicContact CE1-CE2 3.79Å; F103-Y105 HydrophobicContact CE2-CD2 4.11Å; F103-Y105 AromaticContact CE2-CE2 3.58Å; F103-Y105 HydrophobicContact CE2-CE2 3.58Å; F103-Y105 AromaticContact CZ-CD2 3.48Å; F103-Y105 HydrophobicContact CZ-CD2 3.48Å; F103-Y105 VanDerWaalsContact CZ-CD2 3.48Å; F103-Y105 AromaticContact CZ-CE2 3.33Å; F103-Y105 HydrophobicContact CZ-CE2 3.33Å; Y105-L125 HydrophobicContact CD1-CD1 4.26Å; Y105-L125 HydrophobicContact CD1-CD2 3.9Å; Y105-L125 HydrophobicContact CD2-CD2 3.8Å; Y105-L125 HydrophobicContact CE1-CD2 3.96Å; Y105-L125 HydrophobicContact CE2-CD2 3.85Å; Y105-L125 HydrophobicContact CG-CD1 3.95Å; Y105-L125 HydrophobicContact CG-CD2 3.81Å; Y105-K128 PolarHBondContact OH-NZ 2.83Å
106T98.8Very high98.5Very high0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-127.8177.4-168.8670000111.7I87 G89 K91 A104 E108 N109 S110I87-T106 HydrophobicContact CD1-CG2 4.05Å; I87-T106 HydrophobicContact CG1-CG2 4.15Å; I87-T106 HydrophobicContact CG2-CG2 3.68Å; G89-T106 VanDerWaalsContact O-CA 3.23Å; G89-T106 WeakPolarHBondContact O-CA 3.48Å; K91-T106 HydrophobicContact CB-CG2 3.87Å; K91-T106 HydrophobicContact CD-CG2 4.45Å; A104-T106 HydrophobicContact CB-CG2 4.49Å; T106-E108 PolarHBondContact O-N 2.84Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-N 3.07Å; T106-E108 PolarHBondContact OG1-OE2 3.32Å; T106-E108 VanDerWaalsContact OG1-OE2 3.11Å; T106-N109 PolarHBondContact N-OD1 3.14Å; T106-N109 VanDerWaalsContact N-OD1 3.12Å; T106-N109 PolarHBondContact O-N 3Å; T106-N109 PolarHBondContact O-OD1 3.16Å; T106-S110 CarbonylContact O-C 3.54Å; T106-S110 WeakPolarHBondContact O-CA 3.48Å; T106-S110 VanDerWaalsContact O-CB 3.27Å; T106-S110 WeakPolarHBondContact O-CB 3.23Å; T106-S110 PolarHBondContact O-N 2.94Å; T106-S110 VanDerWaalsContact O-O 3.09Å
107E98.5Very high98.5Very high62 Ų6237.8 Ų37.829%0.2922%0.215SC..THydrogen-bonded Turntrans-59.3-19172.371.9-83.4-158.700114K90 K91 H92 N109 S110 V112K90-E107 WeakPolarHBondContact CA-OE2 3.47Å; K91-E107 PolarHBondContact N-OE1 3.38Å; K91-E107 PolarHBondContact N-OE2 3.35Å; H92-E107 VanDerWaalsContact CA-OE1 3.27Å; H92-E107 WeakPolarHBondContact CA-OE1 3.38Å; H92-E107 PolarHBondContact N-OE1 3.31Å; E107-N109 VanDerWaalsContact C-N 3.34Å; E107-S110 WeakPolarHBondContact CA-O 3.42Å; E107-V112 HydrophobicContact CB-CB 4.03Å; E107-V112 HydrophobicContact CB-CG2 4.33Å
108E98Very high98.6Very high99 Ų9934.9 Ų34.946%0.46319%0.188SC..THydrogen-bonded Turntrans-75.6-24.6-179.7-60.3164.4138.600112.3K91 T106K91-E108 VanDerWaalsContact CD-OE2 3.29Å; K91-E108 WeakPolarHBondContact CD-OE2 3.3Å; K91-E108 IonicContact NZ-OE2 3.9Å; T106-E108 PolarHBondContact O-N 2.84Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-N 3.07Å; T106-E108 PolarHBondContact OG1-OE2 3.32Å; T106-E108 VanDerWaalsContact OG1-OE2 3.11Å
109N98.1Very high98.6Very high92 Ų9234.9 Ų34.949%0.49219%0.188SC..THydrogen-bonded Turntrans-132.9-2.6-176.269.624.9000114.3A104 T106 E107A104-N109 PolarHBondContact O-ND2 3.34Å; T106-N109 PolarHBondContact N-OD1 3.14Å; T106-N109 VanDerWaalsContact N-OD1 3.12Å; T106-N109 PolarHBondContact O-N 3Å; T106-N109 PolarHBondContact O-OD1 3.16Å; E107-N109 VanDerWaalsContact C-N 3.34Å
110S97.6Very high98.6Very high32 Ų3236.1 Ų36.122%0.22420%0.196CC..SBendtrans-147.8157.7-175.7-59.70000110.7T106 E107 V112T106-S110 CarbonylContact O-C 3.54Å; T106-S110 WeakPolarHBondContact O-CA 3.48Å; T106-S110 VanDerWaalsContact O-CB 3.27Å; T106-S110 WeakPolarHBondContact O-CB 3.23Å; T106-S110 PolarHBondContact O-N 2.94Å; T106-S110 VanDerWaalsContact O-O 3.09Å; E107-S110 WeakPolarHBondContact CA-O 3.42Å; S110-V112 PolarHBondContact O-N 3.31Å
111S98.3Very high98.6Very high64 Ų6439.4 Ų39.445%0.44820%0.204SC..  trans-64.8125171.3174.90000110.8L113 Q114 V115S111-L113 PolarHBondContact O-N 2.62Å; S111-L113 PolarHBondContact OG-N 3.26Å; S111-Q114 WeakPolarHBondContact O-CA 3.21Å; S111-Q114 WeakPolarHBondContact O-CB 3.39Å; S111-Q114 PolarHBondContact O-N 2.85Å; S111-V115 WeakPolarHBondContact O-CG2 3.39Å; S111-V115 PolarHBondContact O-N 3.16Å
112V98.3Very high98.6Very high40 Ų4038.7 Ų38.724%0.24220%0.201CC..Hα-helixtrans-60.2-26.1176.574.80000112.9K90 E107 S110 Q114 G116 H145K90-V112 HydrophobicContact CB-CG2 4.37Å; E107-V112 HydrophobicContact CB-CB 4.03Å; E107-V112 HydrophobicContact CB-CG2 4.33Å; S110-V112 PolarHBondContact O-N 3.31Å; V112-Q114 VanDerWaalsContact C-N 3.31Å; V112-Q114 PolarHBondContact O-N 2.86Å; V112-G116 VanDerWaalsContact O-CA 3.23Å; V112-G116 WeakPolarHBondContact O-CA 3.14Å; V112-G116 PolarHBondContact O-N 3.25Å; V112-H145 HydrophobicContact CG2-CB 4.15Å
113L98.4Very high98.6Very high19 Ų1936.2 Ų36.210%0.09919%0.186CC..Hα-helixtrans-64.8-38.4172.2-65179.3000111.2S111 R117 N118 Q154 Y157 F164S111-L113 PolarHBondContact O-N 2.62Å; S111-L113 PolarHBondContact OG-N 3.26Å; L113-R117 WeakPolarHBondContact O-CB 3.46Å; L113-R117 PolarHBondContact O-N 2.7Å; L113-N118 PolarHBondContact O-N 3.06Å; L113-Q154 HydrophobicContact CD1-CG 4.41Å; L113-Y157 HydrophobicContact CD1-CD2 4.44Å; L113-Y157 HydrophobicContact CD1-CE2 3.84Å; L113-F164 HydrophobicContact CB-CE1 4.3Å; L113-F164 HydrophobicContact CB-CE2 4.31Å; L113-F164 HydrophobicContact CB-CZ 3.92Å; L113-F164 HydrophobicContact CD1-CE2 4.39Å
114Q98.7Very high98.6Very high75 Ų7538 Ų3835%0.3520%0.199SC..Hα-helixtrans-79.8-42-178.7-63.8-58.3-38.900112.5S111 V112 N118 R121S111-Q114 WeakPolarHBondContact O-CA 3.21Å; S111-Q114 WeakPolarHBondContact O-CB 3.39Å; S111-Q114 PolarHBondContact O-N 2.85Å; V112-Q114 VanDerWaalsContact C-N 3.31Å; V112-Q114 PolarHBondContact O-N 2.86Å; Q114-N118 WeakPolarHBondContact O-CB 3.42Å; Q114-N118 PolarHBondContact OE1-ND2 3.29Å; Q114-R121 HydrophobicContact CB-CG 4.45Å; Q114-R121 WeakPolarHBondContact O-CB 3.24Å; Q114-R121 VanDerWaalsContact O-CG 3.32Å; Q114-R121 WeakPolarHBondContact O-CG 3.34Å
115V98.8Very high98.6Very high1 Ų136.7 Ų36.71%0.00619%0.188CC..Hα-helixtrans-91-14.8-177.3-59.90000113.6G89 S111 I122 L125G89-V115 WeakPolarHBondContact CA-O 3.49Å; G89-V115 PolarHBondContact N-O 3.06Å; S111-V115 WeakPolarHBondContact O-CG2 3.39Å; S111-V115 PolarHBondContact O-N 3.16Å; V115-I122 WeakPolarHBondContact O-CD1 3.23Å; V115-I122 VanDerWaalsContact O-CG1 3.26Å; V115-I122 WeakPolarHBondContact O-CG1 3.5Å; V115-L125 HydrophobicContact CG1-CD1 3.99Å
116G98.6Very high98.6Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-115.5-17.9-176.900000116V112 H145V112-G116 VanDerWaalsContact O-CA 3.23Å; V112-G116 WeakPolarHBondContact O-CA 3.14Å; V112-G116 PolarHBondContact O-N 3.25Å; G116-H145 PolarHBondContact O-N 2.99Å
117R98.8Very high98.6Very high0 Ų038.1 Ų38.10%019%0.193CC..THydrogen-bonded Turntrans-128.2-32.3-178.4-55-171.1-177.6-100.33.7114.2L113 I119 H145 D146 H148 R149 C150 F160 F164L113-R117 WeakPolarHBondContact O-CB 3.46Å; L113-R117 PolarHBondContact O-N 2.7Å; R117-I119 PolarHBondContact O-N 2.96Å; R117-H145 HydrophobicContact CG-CB 4.06Å; R117-H145 VanDerWaalsContact CZ-CD2 3.5Å; R117-H145 PolarHBondContact NE-CD2 3.43Å; R117-H145 PolarHBondContact NH2-CD2 3.45Å; R117-H145 PolarHBondContact NH2-NE2 3Å; R117-D146 WeakPolarHBondContact CD-OD1 3.17Å; R117-D146 WeakPolarHBondContact CG-OD1 3.39Å; R117-D146 IonicContact CZ-OD1 3.88Å; R117-D146 IonicContact NE-OD1 3.25Å; R117-D146 IonicContact NH1-OD1 3.17Å; R117-D146 PolarHBondContact NH1-OD1 3.02Å; R117-H148 PolarHBondContact NH1-O 2.51Å; R117-H148 PolarHBondContact NH2-O 3.48Å; R117-R149 PolarHBondContact NH2-O 2.85Å; R117-C150 PolarHBondContact NH2-SG 3.26Å; R117-F160 PolarHBondContact NH1-O 3.35Å; R117-F164 HydrophobicContact CB-CD1 4.06Å; R117-F164 HydrophobicContact CB-CE1 4.06Å
118N98.9Very high98.6Very high20 Ų2040.5 Ų40.511%0.10720%0.202CC..  trans-74.891175.1-176.1-12.1000110.7L113 Q114 T120 R121 I122 F164 I174L113-N118 PolarHBondContact O-N 3.06Å; Q114-N118 WeakPolarHBondContact O-CB 3.42Å; Q114-N118 PolarHBondContact OE1-ND2 3.29Å; N118-T120 PolarHBondContact O-N 2.83Å; N118-T120 WeakPolarHBondContact OD1-CB 3.29Å; N118-T120 PolarHBondContact OD1-N 2.98Å; N118-R121 HydrophobicContact CB-CB 4.05Å; N118-R121 WeakPolarHBondContact O-CA 3.45Å; N118-R121 WeakPolarHBondContact O-CB 3.37Å; N118-R121 PolarHBondContact O-N 3.41Å; N118-R121 PolarHBondContact OD1-N 3.46Å; N118-I122 PolarHBondContact O-N 3.03Å; N118-F164 HydrophobicContact CB-CE1 4.23Å; N118-I174 HydrophobicContact CB-CD1 4.35Å; N118-I174 HydrophobicContact CB-CG1 4.39Å
119I98.9Very high98.6Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-61.3-27.1-176.562.6171.2000113.8R117 I122 K123 F144 I174 W177 R212 Q215 L219R117-I119 PolarHBondContact O-N 2.96Å; I119-I122 PolarHBondContact O-N 2.9Å; I119-K123 WeakPolarHBondContact O-CB 3.42Å; I119-K123 PolarHBondContact O-N 3.5Å; I119-F144 HydrophobicContact CG2-CE1 4.45Å; I119-I174 HydrophobicContact CG1-CG2 3.84Å; I119-W177 HydrophobicContact CD1-CB 3.81Å; I119-W177 HydrophobicContact CD1-CG 4.36Å; I119-W177 HydrophobicContact CG1-CB 4.15Å; I119-R212 HydrophobicContact CD1-CG 4.33Å; I119-R212 HydrophobicContact CG2-CG 4.01Å; I119-Q215 HydrophobicContact CD1-CB 3.74Å; I119-L219 HydrophobicContact CB-CD1 4.16Å; I119-L219 HydrophobicContact CD1-CD1 3.91Å; I119-L219 HydrophobicContact CG1-CD1 4.02Å
120T98.9Very high98.6Very high26 Ų2632.2 Ų32.216%0.1616%0.161CC..Hα-helixtrans-64.3-43.1171.1-64.90000111.2N118 V124 I174 D176N118-T120 PolarHBondContact O-N 2.83Å; N118-T120 WeakPolarHBondContact OD1-CB 3.29Å; N118-T120 PolarHBondContact OD1-N 2.98Å; T120-V124 WeakPolarHBondContact O-CG2 3.46Å; T120-V124 PolarHBondContact O-N 2.84Å; T120-V124 VanDerWaalsContact O-N 3.1Å; T120-I174 WeakPolarHBondContact OG1-CG2 3.39Å; T120-D176 VanDerWaalsContact CA-OD2 3.3Å; T120-D176 WeakPolarHBondContact CA-OD2 3.39Å; T120-D176 WeakPolarHBondContact CB-OD2 3.21Å; T120-D176 WeakPolarHBondContact CG2-OD2 3.3Å; T120-D176 WeakPolarHBondContact OG1-CB 3.45Å; T120-D176 VanDerWaalsContact OG1-CG 3.27Å; T120-D176 PolarHBondContact OG1-N 2.93Å; T120-D176 VanDerWaalsContact OG1-N 3.15Å; T120-D176 PolarHBondContact OG1-OD2 2.83Å
121R98.8Very high98.4Very high101 Ų10137.2 Ų37.238%0.38118%0.181SC..Hα-helixtrans-67.9-42177.8177.858.6177.5-172.8-0.5111.1Q114 N118 V124 L125Q114-R121 HydrophobicContact CB-CG 4.45Å; Q114-R121 WeakPolarHBondContact O-CB 3.24Å; Q114-R121 VanDerWaalsContact O-CG 3.32Å; Q114-R121 WeakPolarHBondContact O-CG 3.34Å; N118-R121 HydrophobicContact CB-CB 4.05Å; N118-R121 WeakPolarHBondContact O-CA 3.45Å; N118-R121 WeakPolarHBondContact O-CB 3.37Å; N118-R121 PolarHBondContact O-N 3.41Å; N118-R121 PolarHBondContact OD1-N 3.46Å; R121-V124 PolarHBondContact O-N 3.06Å; R121-L125 HydrophobicContact CG-CD1 4.17Å; R121-L125 WeakPolarHBondContact O-CG 3.29Å; R121-L125 PolarHBondContact O-N 3.47Å
122I98.9Very high97.9Very high1 Ų136.1 Ų36.11%0.00517%0.173CC..Hα-helixtrans-58.1-51.2175.1-64.5171.4000110.1I88 V115 N118 I119 V124 L125 V126 V142 F144 V220I88-I122 HydrophobicContact CG2-CG1 4.28Å; I88-I122 HydrophobicContact CG2-CG2 4.25Å; V115-I122 WeakPolarHBondContact O-CD1 3.23Å; V115-I122 VanDerWaalsContact O-CG1 3.26Å; V115-I122 WeakPolarHBondContact O-CG1 3.5Å; N118-I122 PolarHBondContact O-N 3.03Å; I119-I122 PolarHBondContact O-N 2.9Å; I122-V124 VanDerWaalsContact C-N 3.31Å; I122-V124 PolarHBondContact O-N 3Å; I122-L125 PolarHBondContact O-N 2.79Å; I122-V126 HydrophobicContact CG2-CG2 4.36Å; I122-V126 WeakPolarHBondContact O-CG2 3.35Å; I122-V126 PolarHBondContact O-N 2.73Å; I122-V142 HydrophobicContact CG2-CG1 3.82Å; I122-F144 HydrophobicContact CD1-CD1 3.67Å; I122-F144 HydrophobicContact CD1-CE1 3.67Å; I122-F144 HydrophobicContact CG2-CE1 4.28Å; I122-V220 HydrophobicContact CG2-CG2 4.1Å
123K98.8Very high96.8Very high26 Ų2643.7 Ų43.711%0.11321%0.206CC..Hα-helixtrans-50.2-48.7174.9-179.2-167.475.7-174.80112.3I119 L125 V126 R127 D176 L219 E223I119-K123 WeakPolarHBondContact O-CB 3.42Å; I119-K123 PolarHBondContact O-N 3.5Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.42Å; K123-V126 PolarHBondContact O-N 3.13Å; K123-R127 WeakPolarHBondContact O-CB 3.33Å; K123-R127 PolarHBondContact O-N 3.08Å; K123-D176 WeakPolarHBondContact CE-OD2 3.27Å; K123-D176 IonicContact NZ-OD1 2.99Å; K123-D176 PolarHBondContact NZ-OD1 2.86Å; K123-D176 IonicContact NZ-OD2 3.06Å; K123-D176 PolarHBondContact NZ-OD2 3.12Å; K123-L219 HydrophobicContact CB-CB 4.15Å; K123-L219 HydrophobicContact CB-CD1 4.39Å; K123-L219 HydrophobicContact CD-CB 4.29Å; K123-L219 HydrophobicContact CD-CD1 4.33Å; K123-L219 HydrophobicContact CD-CD2 4Å; K123-L219 HydrophobicContact CD-CG 4.43Å; K123-L219 HydrophobicContact CG-CB 4.16Å; K123-E223 HydrophobicContact CG-CG 3.7Å
124V98.8Very high96.4Very high58 Ų5845.4 Ų45.435%0.35222%0.215SC..Hα-helixtrans-64-38.6179.5169.70000112T120 R121 I122 R127 K128T120-V124 WeakPolarHBondContact O-CG2 3.46Å; T120-V124 PolarHBondContact O-N 2.84Å; T120-V124 VanDerWaalsContact O-N 3.1Å; R121-V124 PolarHBondContact O-N 3.06Å; I122-V124 VanDerWaalsContact C-N 3.31Å; I122-V124 PolarHBondContact O-N 3Å; V124-R127 PolarHBondContact O-N 2.94Å; V124-K128 WeakPolarHBondContact O-CB 3.2Å; V124-K128 PolarHBondContact O-N 2.82Å
125L98.8Very high96Very high2 Ų251.6 Ų51.61%0.0124%0.244CC..Hα-helixtrans-70.6-38.5177.6-69.9172.4000112I88 F103 Y105 V115 R121 I122 K123 K128 F129I88-L125 HydrophobicContact CD1-CB 3.65Å; I88-L125 HydrophobicContact CG1-CB 4.09Å; I88-L125 HydrophobicContact CG2-CB 4.25Å; I88-L125 HydrophobicContact CG2-CD1 3.9Å; F103-L125 HydrophobicContact CZ-CD2 4.38Å; Y105-L125 HydrophobicContact CD1-CD1 4.26Å; Y105-L125 HydrophobicContact CD1-CD2 3.9Å; Y105-L125 HydrophobicContact CD2-CD2 3.8Å; Y105-L125 HydrophobicContact CE1-CD2 3.96Å; Y105-L125 HydrophobicContact CE2-CD2 3.85Å; Y105-L125 HydrophobicContact CG-CD1 3.95Å; Y105-L125 HydrophobicContact CG-CD2 3.81Å; V115-L125 HydrophobicContact CG1-CD1 3.99Å; R121-L125 HydrophobicContact CG-CD1 4.17Å; R121-L125 WeakPolarHBondContact O-CG 3.29Å; R121-L125 PolarHBondContact O-N 3.47Å; I122-L125 PolarHBondContact O-N 2.79Å; K123-L125 VanDerWaalsContact C-N 3.34Å; K123-L125 PolarHBondContact O-N 3.42Å; L125-K128 PolarHBondContact O-N 2.76Å; L125-F129 PolarHBondContact O-N 2.91Å
126V98.8Very high95.9Very high0 Ų055.5 Ų55.50%026%0.259CS..Hα-helixtrans-60.8-48171.8173.30000110.3I88 I122 K123 K128 F129 L130 L140 V142 V220 E223 L224I88-V126 HydrophobicContact CD1-CB 4.46Å; I88-V126 HydrophobicContact CD1-CG2 3.66Å; I122-V126 HydrophobicContact CG2-CG2 4.36Å; I122-V126 WeakPolarHBondContact O-CG2 3.35Å; I122-V126 PolarHBondContact O-N 2.73Å; K123-V126 PolarHBondContact O-N 3.13Å; V126-K128 VanDerWaalsContact C-N 3.31Å; V126-K128 PolarHBondContact O-N 2.9Å; V126-F129 WeakPolarHBondContact O-CB 3.46Å; V126-F129 PolarHBondContact O-N 3.3Å; V126-F129 VanDerWaalsContact O-N 3.13Å; V126-L130 HydrophobicContact CG1-CD1 3.82Å; V126-L130 HydrophobicContact CG1-CG 4.32Å; V126-L130 WeakPolarHBondContact O-CG 3.31Å; V126-L130 PolarHBondContact O-N 2.84Å; V126-L140 HydrophobicContact CG1-CD2 4.05Å; V126-L140 HydrophobicContact CG2-CD2 4.15Å; V126-V142 HydrophobicContact CG2-CG2 4.12Å; V126-V220 HydrophobicContact CG1-CG1 4.48Å; V126-V220 HydrophobicContact CG2-CG1 4.39Å; V126-V220 HydrophobicContact CG2-CG2 4.11Å; V126-E223 HydrophobicContact CB-CB 4.5Å; V126-E223 HydrophobicContact CG1-CB 3.79Å; V126-L224 HydrophobicContact CG1-CD1 4.29Å
127R98.6Very high95.9Very high82 Ų8259.1 Ų59.131%0.30928%0.282SS..Hα-helixtrans-55-47.6174.2-173-179.4-61.3164.10.8112K123 V124 F129 L130 Q131 E223K123-R127 WeakPolarHBondContact O-CB 3.33Å; K123-R127 PolarHBondContact O-N 3.08Å; V124-R127 PolarHBondContact O-N 2.94Å; R127-F129 VanDerWaalsContact C-N 3.3Å; R127-F129 PolarHBondContact O-N 3.37Å; R127-L130 PolarHBondContact O-N 3.39Å; R127-Q131 HydrophobicContact CG-CG 4.24Å; R127-Q131 WeakPolarHBondContact O-CB 3.27Å; R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.46Å; R127-Q131 PolarHBondContact O-N 2.78Å; R127-E223 HydrophobicContact CB-CG 4.5Å; R127-E223 VanDerWaalsContact CB-OE2 3.28Å; R127-E223 WeakPolarHBondContact CB-OE2 3.5Å; R127-E223 WeakPolarHBondContact CG-OE2 3.21Å; R127-E223 IonicContact CZ-OE1 3.77Å; R127-E223 IonicContact CZ-OE2 3.66Å; R127-E223 IonicContact NE-OE1 3.7Å; R127-E223 IonicContact NE-OE2 3.96Å; R127-E223 PolarHBondContact NE-OE2 2.93Å; R127-E223 IonicContact NH2-OE1 2.64Å; R127-E223 PolarHBondContact NH2-OE1 2.98Å; R127-E223 IonicContact NH2-OE2 3.2Å
128K98.4Very high95.9Very high112 Ų11260.8 Ų60.849%0.48729%0.29SS..Hα-helixtrans-60.5-40.6178.4-177.3-178.2176.6-175.80111.7F103 Y105 V124 L125 V126F103-K128 HydrophobicContact CE2-CD 4.18Å; F103-K128 HydrophobicContact CE2-CG 4.23Å; F103-K128 HydrophobicContact CZ-CD 4.41Å; Y105-K128 PolarHBondContact OH-NZ 2.83Å; V124-K128 WeakPolarHBondContact O-CB 3.2Å; V124-K128 PolarHBondContact O-N 2.82Å; L125-K128 PolarHBondContact O-N 2.76Å; V126-K128 VanDerWaalsContact C-N 3.31Å; V126-K128 PolarHBondContact O-N 2.9Å
129F98.4Very high95.9Very high0 Ų061.1 Ų61.10%029%0.29CS..Hα-helixtrans-61.4-52.8175.1-179.8-96.3000110.4R84 F103 L125 V126 R127 Q131 S132 F138 L140R84-F129 HydrophobicContact CG-CE2 4.18Å; R84-F129 HydrophobicContact CG-CZ 4.24Å; R84-F129 VanDerWaalsContact CZ-CE2 3.5Å; R84-F129 PolarHBondContact NH1-O 3.04Å; R84-F129 PolarHBondContact NH2-O 3.38Å; F103-F129 HydrophobicContact CB-CD2 3.71Å; F103-F129 HydrophobicContact CB-CE2 3.92Å; F103-F129 HydrophobicContact CD1-CB 4.41Å; F103-F129 AromaticContact CD1-CD2 3.8Å; F103-F129 HydrophobicContact CD1-CD2 3.8Å; F103-F129 HydrophobicContact CD2-CD2 4.16Å; F103-F129 HydrophobicContact CE1-CB 4.18Å; F103-F129 HydrophobicContact CE1-CD2 4.41Å; F103-F129 HydrophobicContact CE2-CB 4.47Å; F103-F129 AromaticContact CG-CD2 3.65Å; F103-F129 HydrophobicContact CG-CD2 3.65Å; F103-F129 HydrophobicContact CG-CE2 4.37Å; F103-F129 HydrophobicContact CZ-CB 4.21Å; L125-F129 PolarHBondContact O-N 2.91Å; V126-F129 WeakPolarHBondContact O-CB 3.46Å; V126-F129 PolarHBondContact O-N 3.3Å; V126-F129 VanDerWaalsContact O-N 3.13Å; R127-F129 VanDerWaalsContact C-N 3.3Å; R127-F129 PolarHBondContact O-N 3.37Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 2.99Å; F129-S132 PolarHBondContact O-N 3.02Å; F129-S132 PolarHBondContact O-OG 2.86Å; F129-S132 VanDerWaalsContact O-OG 3.07Å; F129-F138 HydrophobicContact CE1-CB 3.78Å; F129-F138 AromaticContact CE1-CD2 3.79Å; F129-F138 HydrophobicContact CE1-CD2 3.79Å; F129-F138 AromaticContact CE1-CG 3.84Å; F129-F138 HydrophobicContact CE1-CG 3.84Å; F129-F138 HydrophobicContact CZ-CB 3.85Å; F129-F138 HydrophobicContact CZ-CD2 4.49Å; F129-F138 HydrophobicContact CZ-CG 4.41Å; F129-L140 HydrophobicContact CD1-CB 4.39Å; F129-L140 HydrophobicContact CD1-CD1 4.01Å; F129-L140 HydrophobicContact CD1-CD2 3.95Å; F129-L140 HydrophobicContact CD1-CG 4.34Å; F129-L140 HydrophobicContact CD2-CD1 4.27Å; F129-L140 HydrophobicContact CE1-CB 3.98Å; F129-L140 HydrophobicContact CE1-CD1 4.18Å; F129-L140 HydrophobicContact CE1-CD2 4.37Å; F129-L140 HydrophobicContact CE1-CG 4.41Å; F129-L140 HydrophobicContact CE2-CD1 4.43Å; F129-L140 HydrophobicContact CG-CD1 4.04Å; F129-L140 HydrophobicContact CZ-CB 4.44Å; F129-L140 HydrophobicContact CZ-CD1 4.38Å
130L97.3Very high95.9Very high18 Ų1862.6 Ų62.69%0.09430%0.298CS..Hα-helixtrans-68.7-23.7-175.4-62.5173.8000114.4V126 R127 F138 E223 L224 A227 F229V126-L130 HydrophobicContact CG1-CD1 3.82Å; V126-L130 HydrophobicContact CG1-CG 4.32Å; V126-L130 WeakPolarHBondContact O-CG 3.31Å; V126-L130 PolarHBondContact O-N 2.84Å; R127-L130 PolarHBondContact O-N 3.39Å; L130-F138 HydrophobicContact CD2-CE1 4.06Å; L130-F138 HydrophobicContact CD2-CE2 4.27Å; L130-F138 HydrophobicContact CD2-CZ 3.88Å; L130-E223 HydrophobicContact CD1-CB 4.3Å; L130-E223 WeakPolarHBondContact CD1-O 3.27Å; L130-L224 HydrophobicContact CD1-CD1 4.24Å; L130-L224 HydrophobicContact CD1-CG 4.31Å; L130-A227 HydrophobicContact CB-CB 3.92Å; L130-A227 HydrophobicContact CD1-CB 3.92Å; L130-A227 HydrophobicContact CG-CB 4.46Å; L130-F229 HydrophobicContact CB-CE2 4.49Å; L130-F229 HydrophobicContact CD2-CD2 3.9Å; L130-F229 HydrophobicContact CD2-CE2 4.28Å
131Q94.9Very high95.9Very high136 Ų13663.3 Ų63.364%0.63630%0.298SS*.THydrogen-bonded Turntrans-88-1-179.9-73.2-179.5-18.700114.7R127 F129R127-Q131 HydrophobicContact CG-CG 4.24Å; R127-Q131 WeakPolarHBondContact O-CB 3.27Å; R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.46Å; R127-Q131 PolarHBondContact O-N 2.78Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 2.99Å
132S87.2Confident95.9Very high41 Ų4160 Ų6029%0.28729%0.289SS..SBendtrans-66.8148.9178.3630000112.1R84 F129 D134R84-S132 PolarHBondContact NH1-OG 3.26Å; R84-S132 PolarHBondContact NH2-OG 2.95Å; F129-S132 PolarHBondContact O-N 3.02Å; F129-S132 PolarHBondContact O-OG 2.86Å; F129-S132 VanDerWaalsContact O-OG 3.07Å; S132-D134 PolarHBondContact O-N 2.94Å
133Q75.6Confident95.9Very high200 Ų20060.2 Ų60.294%0.93529%0.291SS*.SBendtrans-75.457.4175.1-61.7-71.6-35.400111.8
134D89.2Confident95.9Very high54 Ų5460.4 Ų60.429%0.28929%0.292SS..  trans-126.6116.1-179.4-167.1-23.9000109.1R84 S132 R136R84-D134 VanDerWaalsContact CD-OD2 3.31Å; R84-D134 WeakPolarHBondContact CD-OD2 3.46Å; R84-D134 IonicContact NE-OD2 2.66Å; S132-D134 PolarHBondContact O-N 2.94Å; D134-R136 VanDerWaalsContact C-N 3.32Å; D134-R136 VanDerWaalsContact OD1-CB 3.27Å; D134-R136 WeakPolarHBondContact OD1-CB 3.49Å; D134-R136 VanDerWaalsContact OD1-CG 3.23Å; D134-R136 WeakPolarHBondContact OD1-CG 3.36Å; D134-R136 IonicContact OD1-CZ 3.84Å; D134-R136 PolarHBondContact OD1-N 3.39Å; D134-R136 VanDerWaalsContact OD1-N 3.08Å; D134-R136 IonicContact OD1-NE 2.64Å; D134-R136 PolarHBondContact OD1-NE 2.78Å; D134-R136 IonicContact OD2-CZ 3.92Å; D134-R136 VanDerWaalsContact OD2-CZ 3.26Å; D134-R136 IonicContact OD2-NE 3.03Å; D134-R136 PolarHBondContact OD2-NE 2.98Å; D134-R136 IonicContact OD2-NH2 2.71Å; D134-R136 PolarHBondContact OD2-NH2 2.88Å
135E90.8Very high95.9Very high205 Ų20558.7 Ų58.796%0.95828%0.28SS*.  trans-84.9-4.4-176-61.7-174.2165.900113.2
136R97.1Very high95.9Very high84 Ų8458.9 Ų58.932%0.31728%0.281SS..SBendtrans-63.9151.1179-67.1179.3-65.7156.4-0.6111.3H82 R84 D102 D134H82-R136 WeakPolarHBondContact O-CB 3.23Å; H82-R136 VanDerWaalsContact O-CD 3.29Å; H82-R136 WeakPolarHBondContact O-CD 3.41Å; H82-R136 WeakPolarHBondContact O-CG 3.26Å; R84-R136 HydrophobicContact CB-CB 4.33Å; D102-R136 IonicContact OD2-CZ 3.73Å; D102-R136 IonicContact OD2-NH1 3Å; D102-R136 PolarHBondContact OD2-NH1 2.8Å; D102-R136 IonicContact OD2-NH2 2.73Å; D102-R136 PolarHBondContact OD2-NH2 2.85Å; D134-R136 VanDerWaalsContact C-N 3.32Å; D134-R136 VanDerWaalsContact OD1-CB 3.27Å; D134-R136 WeakPolarHBondContact OD1-CB 3.49Å; D134-R136 VanDerWaalsContact OD1-CG 3.23Å; D134-R136 WeakPolarHBondContact OD1-CG 3.36Å; D134-R136 IonicContact OD1-CZ 3.84Å; D134-R136 PolarHBondContact OD1-N 3.39Å; D134-R136 VanDerWaalsContact OD1-N 3.08Å; D134-R136 IonicContact OD1-NE 2.64Å; D134-R136 PolarHBondContact OD1-NE 2.78Å; D134-R136 IonicContact OD2-CZ 3.92Å; D134-R136 VanDerWaalsContact OD2-CZ 3.26Å; D134-R136 IonicContact OD2-NE 3.03Å; D134-R136 PolarHBondContact OD2-NE 2.98Å; D134-R136 IonicContact OD2-NH2 2.71Å; D134-R136 PolarHBondContact OD2-NH2 2.88Å
137P98.1Very high95.9Very high75 Ų7560.3 Ų60.349%0.48729%0.29SS..  trans-55.2155.2161-17.630000110I83 R84 F293I83-P137 WeakPolarHBondContact CA-O 3.42Å; I83-P137 HydrophobicContact CG1-CB 4.32Å; I83-P137 WeakPolarHBondContact CG2-O 3.23Å; R84-P137 PolarHBondContact N-O 3.13Å; P137-F293 HydrophobicContact CB-CE1 4.09Å
138F98.7Very high95.9Very high36 Ų3658.1 Ų58.116%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-126.7151.4-177.870.7-98.6000113.4R84 F129 L130 L140 F229 T233 F293R84-F138 HydrophobicContact CB-CB 4.46Å; R84-F138 CarbonylContact O-C 3.57Å; R84-F138 VanDerWaalsContact O-CA 3.27Å; R84-F138 WeakPolarHBondContact O-CA 3.47Å; F129-F138 HydrophobicContact CE1-CB 3.78Å; F129-F138 AromaticContact CE1-CD2 3.79Å; F129-F138 HydrophobicContact CE1-CD2 3.79Å; F129-F138 AromaticContact CE1-CG 3.84Å; F129-F138 HydrophobicContact CE1-CG 3.84Å; F129-F138 HydrophobicContact CZ-CB 3.85Å; F129-F138 HydrophobicContact CZ-CD2 4.49Å; F129-F138 HydrophobicContact CZ-CG 4.41Å; L130-F138 HydrophobicContact CD2-CE1 4.06Å; L130-F138 HydrophobicContact CD2-CE2 4.27Å; L130-F138 HydrophobicContact CD2-CZ 3.88Å; F138-L140 HydrophobicContact CD2-CB 4.17Å; F138-L140 HydrophobicContact CE2-CB 4.41Å; F138-F229 HydrophobicContact CE1-CB 4.1Å; F138-F229 AromaticContact CE1-CD1 3.94Å; F138-F229 HydrophobicContact CE1-CD1 3.94Å; F138-F229 HydrophobicContact CE1-CD2 4.06Å; F138-F229 HydrophobicContact CE1-CE1 4.37Å; F138-F229 HydrophobicContact CE1-CE2 4.48Å; F138-F229 AromaticContact CE1-CG 3.77Å; F138-F229 HydrophobicContact CE1-CG 3.77Å; F138-F229 HydrophobicContact CZ-CB 4.12Å; F138-F229 HydrophobicContact CZ-CG 4.26Å; F138-T233 HydrophobicContact CE2-CG2 4.44Å; F138-T233 HydrophobicContact CZ-CG2 4.46Å; F138-F293 WeakPolarHBondContact O-CZ 3.41Å
139F98.9Very high95.9Very high26 Ų2653.3 Ų53.311%0.11426%0.262CS..EExtended strand (participates in β ladder)trans-121120.1162.5167.7-105.6000108.5L74 L78 I83 R84 T85 G86 F101 I289L74-F139 HydrophobicContact CD2-CE2 4.35Å; L74-F139 HydrophobicContact CD2-CZ 4.09Å; L78-F139 HydrophobicContact CD1-CB 3.54Å; L78-F139 HydrophobicContact CD1-CD1 3.68Å; L78-F139 HydrophobicContact CD1-CD2 4.06Å; L78-F139 HydrophobicContact CD1-CE1 4.38Å; L78-F139 HydrophobicContact CD1-CG 3.48Å; L78-F139 VanDerWaalsContact CD1-CG 3.48Å; I83-F139 HydrophobicContact CG2-CB 4.17Å; R84-F139 PolarHBondContact O-N 3.05Å; T85-F139 CarbonylContact C-O 3.57Å; T85-F139 WeakPolarHBondContact CA-O 3.14Å; T85-F139 HydrophobicContact CG2-CD1 4.37Å; G86-F139 PolarHBondContact N-O 3.45Å; F101-F139 HydrophobicContact CE1-CD1 4.41Å; F101-F139 HydrophobicContact CE1-CE1 4.01Å; F139-I289 HydrophobicContact CD2-CG2 4.33Å; F139-I289 HydrophobicContact CE2-CD1 4.02Å
140L98.9Very high95.8Very high32 Ų3253.3 Ų53.317%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-117.9115.1179.2-178.862.6000110.1I88 V126 F129 F138 V142I88-L140 HydrophobicContact CD1-CD1 4.14Å; V126-L140 HydrophobicContact CG1-CD2 4.05Å; V126-L140 HydrophobicContact CG2-CD2 4.15Å; F129-L140 HydrophobicContact CD1-CB 4.39Å; F129-L140 HydrophobicContact CD1-CD1 4.01Å; F129-L140 HydrophobicContact CD1-CD2 3.95Å; F129-L140 HydrophobicContact CD1-CG 4.34Å; F129-L140 HydrophobicContact CD2-CD1 4.27Å; F129-L140 HydrophobicContact CE1-CB 3.98Å; F129-L140 HydrophobicContact CE1-CD1 4.18Å; F129-L140 HydrophobicContact CE1-CD2 4.37Å; F129-L140 HydrophobicContact CE1-CG 4.41Å; F129-L140 HydrophobicContact CE2-CD1 4.43Å; F129-L140 HydrophobicContact CG-CD1 4.04Å; F129-L140 HydrophobicContact CZ-CB 4.44Å; F129-L140 HydrophobicContact CZ-CD1 4.38Å; F138-L140 HydrophobicContact CD2-CB 4.17Å; F138-L140 HydrophobicContact CE2-CB 4.41Å; L140-V142 HydrophobicContact CD2-CG2 4.23Å; L140-V142 HydrophobicContact CG-CG2 4.05Å
141Y98.9Very high95.7Very high41 Ų4153.9 Ų53.916%0.16127%0.272CS..EExtended strand (participates in β ladder)trans-98.3102.9176.6-178.6-136.7000110.5R41 L45 G86 I87 I88 F101 A143R41-Y141 PolarHBondContact NH1-OH 3.02Å; L45-Y141 HydrophobicContact CD1-CE1 4.4Å; G86-Y141 PolarHBondContact O-N 3.15Å; I87-Y141 WeakPolarHBondContact CA-O 3.46Å; I87-Y141 HydrophobicContact CD1-CD1 3.63Å; I87-Y141 HydrophobicContact CD1-CE1 4Å; I87-Y141 HydrophobicContact CG1-CD1 3.75Å; I87-Y141 HydrophobicContact CG1-CE1 4.47Å; I88-Y141 PolarHBondContact N-O 3.08Å; F101-Y141 HydrophobicContact CZ-CD1 4.36Å; Y141-A143 HydrophobicContact CD1-CB 4.3Å; Y141-A143 HydrophobicContact CE1-CB 3.76Å; Y141-A143 HydrophobicContact CE2-CB 4.2Å
142V98.9Very high95.6Very high31 Ų3152.1 Ų52.119%0.18826%0.264CS..EExtended strand (participates in β ladder)trans-94.8102.3173.8-176.10000109.3I122 V126 L140 F144 V220I122-V142 HydrophobicContact CG2-CG1 3.82Å; V126-V142 HydrophobicContact CG2-CG2 4.12Å; L140-V142 HydrophobicContact CD2-CG2 4.23Å; L140-V142 HydrophobicContact CG-CG2 4.05Å; V142-F144 HydrophobicContact CG1-CD2 4.2Å; V142-F144 HydrophobicContact CG1-CE1 4.25Å; V142-F144 HydrophobicContact CG1-CE2 3.76Å; V142-F144 HydrophobicContact CG1-CZ 3.79Å; V142-F144 PolarHBondContact O-N 3.06Å; V142-V220 HydrophobicContact CG1-CG2 4.31Å; V142-V220 HydrophobicContact CG2-CG1 4.31Å
143A98.8Very high95.8Very high5 Ų553.5 Ų53.54%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-101.379.9-175.200000110.7I88 G89 K90 Y141 H145I88-A143 PolarHBondContact O-N 2.61Å; G89-A143 CarbonylContact C-O 3.56Å; G89-A143 WeakPolarHBondContact CA-O 3.48Å; K90-A143 PolarHBondContact N-O 2.64Å; K90-A143 WeakPolarHBondContact O-CB 3.26Å; Y141-A143 HydrophobicContact CD1-CB 4.3Å; Y141-A143 HydrophobicContact CE1-CB 3.76Å; Y141-A143 HydrophobicContact CE2-CB 4.2Å; A143-H145 PolarHBondContact O-N 2.92Å
144F98.9Very high96.8Very high31 Ų3147 Ų4714%0.13624%0.243CC..  trans-52142174.6-64-80000111.1I119 I122 V142 M213 I217 V220I119-F144 HydrophobicContact CG2-CE1 4.45Å; I122-F144 HydrophobicContact CD1-CD1 3.67Å; I122-F144 HydrophobicContact CD1-CE1 3.67Å; I122-F144 HydrophobicContact CG2-CE1 4.28Å; V142-F144 HydrophobicContact CG1-CD2 4.2Å; V142-F144 HydrophobicContact CG1-CE1 4.25Å; V142-F144 HydrophobicContact CG1-CE2 3.76Å; V142-F144 HydrophobicContact CG1-CZ 3.79Å; V142-F144 PolarHBondContact O-N 3.06Å; F144-M213 HydrophobicContact CB-CG 4.33Å; F144-M213 HydrophobicContact CD2-CG 4.32Å; F144-M213 HydrophobicContact CG-CG 4.18Å; F144-I217 HydrophobicContact CE2-CG1 3.79Å; F144-I217 HydrophobicContact CZ-CG1 4.17Å; F144-V220 HydrophobicContact CZ-CG2 4.11Å
145H98.8Very high97.2Very high21 Ų2148.4 Ų48.410%0.09726%0.255CS..  trans-91.4-24.7170.7-171.832.4000111.3V112 G116 R117 A143 H148V112-H145 HydrophobicContact CG2-CB 4.15Å; G116-H145 PolarHBondContact O-N 2.99Å; R117-H145 HydrophobicContact CG-CB 4.06Å; R117-H145 VanDerWaalsContact CZ-CD2 3.5Å; R117-H145 PolarHBondContact NE-CD2 3.43Å; R117-H145 PolarHBondContact NH2-CD2 3.45Å; R117-H145 PolarHBondContact NH2-NE2 3Å; A143-H145 PolarHBondContact O-N 2.92Å; H145-H148 AromaticContact CE1-CG 3.53Å; H145-H148 AromaticContact CE1-ND1 3.64Å; H145-H148 WeakPolarHBondContact O-CB 3.39Å; H145-H148 PolarHBondContact O-N 3.48Å
146D98.8Very high97.6Very high6 Ų643 Ų433%0.03223%0.23CC..THydrogen-bonded Turntrans-63.6142.8162.9-69.5-30.5000110R117 T209 R212 M213R117-D146 WeakPolarHBondContact CD-OD1 3.17Å; R117-D146 WeakPolarHBondContact CG-OD1 3.39Å; R117-D146 IonicContact CZ-OD1 3.88Å; R117-D146 IonicContact NE-OD1 3.25Å; R117-D146 IonicContact NH1-OD1 3.17Å; R117-D146 PolarHBondContact NH1-OD1 3.02Å; D146-T209 HydrophobicContact CB-CG2 3.81Å; D146-T209 WeakPolarHBondContact OD1-CG2 3.47Å; D146-R212 IonicContact OD1-CZ 3.79Å; D146-R212 IonicContact OD1-NE 2.7Å; D146-R212 IonicContact OD1-NH2 3.62Å; D146-R212 PolarHBondContact OD1-NH2 3.29Å; D146-R212 IonicContact OD2-CZ 2.79Å; D146-R212 IonicContact OD2-NE 2.84Å; D146-R212 PolarHBondContact OD2-NE 3.14Å; D146-R212 IonicContact OD2-NH2 3.75Å; D146-R212 PolarHBondContact OD2-NH2 2.97Å; D146-M213 HydrophobicContact CB-CB 4Å
147P98.4Very high97.6Very high31 Ų3140.9 Ų40.920%0.20122%0.222CC..THydrogen-bonded Turncis-99.4441.140.7-36.3000113F160 T209 I210P147-F160 WeakPolarHBondContact O-CD1 3.1Å; P147-F160 WeakPolarHBondContact O-CE1 3.4Å; P147-T209 HydrophobicContact CB-CG2 4.04Å; P147-I210 HydrophobicContact CB-CD1 4.47Å; P147-I210 HydrophobicContact CB-CG1 3.62Å; P147-I210 HydrophobicContact CG-CD1 4.39Å; P147-I210 HydrophobicContact CG-CG1 3.85Å
148H98.5Very high97.6Very high35 Ų3537.7 Ų37.716%0.16220%0.203CC..SBendtrans-64.4148.1176-169.5-82.2000111.2R117 H145 R249 D368R117-H148 PolarHBondContact NH1-O 2.51Å; R117-H148 PolarHBondContact NH2-O 3.48Å; H145-H148 AromaticContact CE1-CG 3.53Å; H145-H148 AromaticContact CE1-ND1 3.64Å; H145-H148 WeakPolarHBondContact O-CB 3.39Å; H145-H148 PolarHBondContact O-N 3.48Å; H148-R249 PolarHBondContact NE2-NH1 3.45Å; H148-D368 IonicContact CE1-OD2 3.45Å; H148-D368 PolarHBondContact CE1-OD2 2.97Å
149R98.4Very high97.6Very high11 Ų1137 Ų374%0.04220%0.204CC..  trans-57.5156.2173.7-72.6-179.9177-76.81.7112.5R117 A159 F160 D202 P244R117-R149 PolarHBondContact NH2-O 2.85Å; R149-A159 CarbonylContact C-O 3.2Å; R149-A159 WeakPolarHBondContact CA-O 3.47Å; R149-F160 HydrophobicContact CG-CD1 4.04Å; R149-F160 HydrophobicContact CG-CE1 3.57Å; R149-F160 HydrophobicContact CG-CE2 4.31Å; R149-F160 HydrophobicContact CG-CZ 3.73Å; R149-D202 IonicContact CZ-OD1 2.68Å; R149-D202 IonicContact CZ-OD2 3.26Å; R149-D202 VanDerWaalsContact CZ-OD2 3.25Å; R149-D202 IonicContact NH1-OD1 2.79Å; R149-D202 PolarHBondContact NH1-OD1 2.75Å; R149-D202 IonicContact NH1-OD2 2.93Å; R149-D202 PolarHBondContact NH1-OD2 3.11Å; R149-D202 IonicContact NH2-OD1 3.35Å; R149-D202 IonicContact NH2-OD2 2.7Å; R149-D202 PolarHBondContact NH2-OD2 2.85Å; R149-P244 HydrophobicContact CG-CB 4.23Å; R149-P244 HydrophobicContact CG-CG 3.76Å; R149-P244 PolarHBondContact NE-O 3.06Å; R149-P244 PolarHBondContact NH2-O 3.28Å
150C97.3Very high97.6Very high1 Ų135.8 Ų35.81%0.00720%0.198CC..  trans-127.8-4.3173.1-78.50000114.2R117 H152 S153 Q154 A159 C161R117-C150 PolarHBondContact NH2-SG 3.26Å; C150-H152 PolarHBondContact O-N 2.73Å; C150-H152 VanDerWaalsContact O-N 3.08Å; C150-S153 PolarHBondContact O-N 2.96Å; C150-Q154 HydrophobicContact CB-CB 4.34Å; C150-Q154 CarbonylContact O-C 3.23Å; C150-Q154 WeakPolarHBondContact O-CA 3.36Å; C150-Q154 PolarHBondContact O-N 3.07Å; C150-A159 PolarHBondContact N-O 3.25Å; C150-C161 HydrophobicContact CB-CB 3.84Å; C150-C161 WeakPolarHBondContact CB-SG 3.48Å; C150-C161 WeakPolarHBondContact SG-CB 3.33Å; C150-C161 CovalentContact SG-SG 2.01Å; C150-C161 PolarHBondContact SG-SG 3.38Å
151G93.9Very high97.6Very high29 Ų2934.2 Ų34.230%0.29919%0.19SC..THydrogen-bonded Turntrans-55.3-31.4-176.200000114.7A159G151-A159 PolarHBondContact N-O 3.09Å
152H92.8Very high97.6Very high99 Ų9933.7 Ų33.746%0.45819%0.189SC..THydrogen-bonded Turntrans-80.5-44-178.8-173.371.8000112.8C150 D368 I371C150-H152 PolarHBondContact O-N 2.73Å; C150-H152 VanDerWaalsContact O-N 3.08Å; H152-D368 WeakPolarHBondContact CB-OD1 3.42Å; H152-D368 IonicContact CD2-OD1 3.8Å; H152-D368 PolarHBondContact CD2-OD1 2.71Å; H152-D368 IonicContact CG-OD1 3.75Å; H152-I371 HydrophobicContact CB-CD1 3.58Å; H152-I371 HydrophobicContact CB-CG1 4.39Å
153S93.3Very high97.5Very high71 Ų7136.2 Ų36.250%0.49720%0.198SC..THydrogen-bonded Turntrans-96.1-34-17155.20000114C150C150-S153 PolarHBondContact O-N 2.96Å
154Q96.5Very high97.5Very high63 Ų6336.6 Ų36.629%0.29420%0.199SC..  trans-145.459.5-170.9-59.5-66.2-15.200111.4L113 C150 Q156 Y157L113-Q154 HydrophobicContact CD1-CG 4.41Å; C150-Q154 HydrophobicContact CB-CB 4.34Å; C150-Q154 CarbonylContact O-C 3.23Å; C150-Q154 WeakPolarHBondContact O-CA 3.36Å; C150-Q154 PolarHBondContact O-N 3.07Å; Q154-Q156 PolarHBondContact O-N 3.43Å; Q154-Q156 VanDerWaalsContact O-N 3.1Å; Q154-Y157 HydrophobicContact CB-CD2 3.74Å; Q154-Y157 HydrophobicContact CB-CE2 4.34Å; Q154-Y157 HydrophobicContact CG-CD2 4.34Å; Q154-Y157 PolarHBondContact O-N 3.11Å
155P97.3Very high97.5Very high83 Ų8335.2 Ų35.254%0.53919%0.193SC..G310 helixtrans-59.3-27.2-172.323.8-34.8000113.9Y157 G158P155-Y157 PolarHBondContact O-N 3.37Å; P155-G158 PolarHBondContact O-N 3.41Å
156Q98Very high97.5Very high91 Ų9135.7 Ų35.743%0.42520%0.196SC..G310 helixtrans-62.7-23.5178.172.8-78.710.600113.4Q154 G158Q154-Q156 PolarHBondContact O-N 3.43Å; Q154-Q156 VanDerWaalsContact O-N 3.1Å; Q156-G158 VanDerWaalsContact C-N 3.3Å
157Y98.6Very high97.4Very high40 Ų4037.8 Ų37.816%0.15722%0.219CC..G310 helixtrans-88.32.7176.1-61.1-43.7000113.7L113 Q154 P155 C161 E162 K163 F164 M171L113-Y157 HydrophobicContact CD1-CD2 4.44Å; L113-Y157 HydrophobicContact CD1-CE2 3.84Å; Q154-Y157 HydrophobicContact CB-CD2 3.74Å; Q154-Y157 HydrophobicContact CB-CE2 4.34Å; Q154-Y157 HydrophobicContact CG-CD2 4.34Å; Q154-Y157 PolarHBondContact O-N 3.11Å; P155-Y157 PolarHBondContact O-N 3.37Å; Y157-C161 CarbonylContact O-C 3.31Å; Y157-C161 VanDerWaalsContact O-C 3.23Å; Y157-C161 WeakPolarHBondContact O-CA 3.34Å; Y157-E162 PolarHBondContact O-N 2.96Å; Y157-K163 WeakPolarHBondContact O-CB 3.35Å; Y157-K163 PolarHBondContact O-N 2.87Å; Y157-F164 HydrophobicContact CD1-CB 4.04Å; Y157-F164 HydrophobicContact CD1-CD2 4.22Å; Y157-F164 HydrophobicContact CD2-CB 4.23Å; Y157-F164 HydrophobicContact CD2-CD2 4.11Å; Y157-F164 AromaticContact CE1-CD2 3.99Å; Y157-F164 HydrophobicContact CE1-CD2 3.99Å; Y157-F164 AromaticContact CE2-CD2 3.89Å; Y157-F164 HydrophobicContact CE2-CD2 3.89Å; Y157-F164 HydrophobicContact CG-CB 3.85Å; Y157-F164 HydrophobicContact CG-CD2 4.3Å; Y157-F164 AromaticContact CZ-CD2 3.82Å; Y157-M171 HydrophobicContact CD1-SD 3.72Å; Y157-M171 HydrophobicContact CE1-SD 4.03Å
158G98.2Very high97.4Very high8 Ų841.6 Ų41.68%0.08223%0.234CC..  trans91.7176.5-178.600000114P155 Q156 F160 C161 E162P155-G158 PolarHBondContact O-N 3.41Å; Q156-G158 VanDerWaalsContact C-N 3.3Å; G158-F160 PolarHBondContact O-N 2.96Å; G158-C161 PolarHBondContact O-N 3.04Å; G158-E162 VanDerWaalsContact C-OE2 3.26Å; G158-E162 VanDerWaalsContact CA-OE1 3.27Å; G158-E162 WeakPolarHBondContact CA-OE1 3.2Å; G158-E162 WeakPolarHBondContact CA-OE2 3.35Å
159A97.8Very high97.4Very high22 Ų2245.7 Ų45.718%0.18227%0.267CS..THydrogen-bonded Turntrans-62.2-29.8-171.300000112.6R149 C150 G151 E162 D202R149-A159 CarbonylContact C-O 3.2Å; R149-A159 WeakPolarHBondContact CA-O 3.47Å; C150-A159 PolarHBondContact N-O 3.25Å; G151-A159 PolarHBondContact N-O 3.09Å; A159-E162 PolarHBondContact N-OE2 3.47Å; A159-E162 VanDerWaalsContact N-OE2 3.15Å; A159-D202 WeakPolarHBondContact CB-OD1 3.32Å
160F98.6Very high97.3Very high0 Ų048.5 Ų48.50%030%0.3CS..THydrogen-bonded Turntrans-122.416.4-178.5-76.8-88.5000113.4R117 P147 R149 G158 E162 D202 A205 Q206 T209 P244 F245R117-F160 PolarHBondContact NH1-O 3.35Å; P147-F160 WeakPolarHBondContact O-CD1 3.1Å; P147-F160 WeakPolarHBondContact O-CE1 3.4Å; R149-F160 HydrophobicContact CG-CD1 4.04Å; R149-F160 HydrophobicContact CG-CE1 3.57Å; R149-F160 HydrophobicContact CG-CE2 4.31Å; R149-F160 HydrophobicContact CG-CZ 3.73Å; G158-F160 PolarHBondContact O-N 2.96Å; F160-E162 PolarHBondContact N-OE2 3.42Å; F160-E162 PolarHBondContact O-N 2.67Å; F160-D202 WeakPolarHBondContact CD2-O 3.43Å; F160-D202 VanDerWaalsContact CE2-O 3.23Å; F160-D202 WeakPolarHBondContact CE2-O 3.49Å; F160-D202 WeakPolarHBondContact CE2-OD1 3.43Å; F160-A205 HydrophobicContact CB-CB 4.43Å; F160-A205 HydrophobicContact CD2-CB 4.01Å; F160-Q206 HydrophobicContact CD1-CB 4.14Å; F160-Q206 HydrophobicContact CD1-CG 4.09Å; F160-Q206 HydrophobicContact CD2-CB 3.99Å; F160-Q206 HydrophobicContact CE1-CB 4.03Å; F160-Q206 HydrophobicContact CE1-CG 3.83Å; F160-Q206 HydrophobicContact CE2-CB 3.88Å; F160-Q206 HydrophobicContact CG-CB 4.11Å; F160-Q206 HydrophobicContact CZ-CB 3.9Å; F160-Q206 HydrophobicContact CZ-CG 4.07Å; F160-T209 WeakPolarHBondContact CB-OG1 3.37Å; F160-T209 WeakPolarHBondContact O-CG2 3.43Å; F160-T209 PolarHBondContact O-OG1 3.13Å; F160-T209 VanDerWaalsContact O-OG1 3.12Å; F160-P244 HydrophobicContact CE1-CG 3.85Å; F160-P244 HydrophobicContact CZ-CG 4.11Å; F160-F245 HydrophobicContact CE2-CZ 4.24Å; F160-F245 AromaticContact CZ-CE2 3.83Å; F160-F245 HydrophobicContact CZ-CE2 3.83Å; F160-F245 AromaticContact CZ-CZ 3.99Å; F160-F245 HydrophobicContact CZ-CZ 3.99Å
161C98.6Very high97.3Very high0 Ų050.2 Ų50.20%031%0.308CS..SBendtrans59.527.3-168.2-81.60000112.5C150 Y157 G158 K163 F164 R212C150-C161 HydrophobicContact CB-CB 3.84Å; C150-C161 WeakPolarHBondContact CB-SG 3.48Å; C150-C161 WeakPolarHBondContact SG-CB 3.33Å; C150-C161 CovalentContact SG-SG 2.01Å; C150-C161 PolarHBondContact SG-SG 3.38Å; Y157-C161 CarbonylContact O-C 3.31Å; Y157-C161 VanDerWaalsContact O-C 3.23Å; Y157-C161 WeakPolarHBondContact O-CA 3.34Å; G158-C161 PolarHBondContact O-N 3.04Å; C161-K163 PolarHBondContact O-N 3.47Å; C161-K163 VanDerWaalsContact O-N 3.14Å; C161-F164 HydrophobicContact CB-CB 4.16Å; C161-F164 PolarHBondContact O-N 2.88Å; C161-F164 VanDerWaalsContact O-N 3.15Å; C161-R212 PolarHBondContact O-NH1 2.94Å; C161-R212 PolarHBondContact O-NH2 2.88Å
162E98.6Very high97.5Very high29 Ų2951.1 Ų51.114%0.13632%0.317CS..THydrogen-bonded Turntrans-66.4-13-179.276.4-72.717300112.9Y157 G158 A159 F160 W177 A205 T208 T209Y157-E162 PolarHBondContact O-N 2.96Å; G158-E162 VanDerWaalsContact C-OE2 3.26Å; G158-E162 VanDerWaalsContact CA-OE1 3.27Å; G158-E162 WeakPolarHBondContact CA-OE1 3.2Å; G158-E162 WeakPolarHBondContact CA-OE2 3.35Å; A159-E162 PolarHBondContact N-OE2 3.47Å; A159-E162 VanDerWaalsContact N-OE2 3.15Å; F160-E162 PolarHBondContact N-OE2 3.42Å; F160-E162 PolarHBondContact O-N 2.67Å; E162-W177 WeakPolarHBondContact O-CH2 3.41Å; E162-A205 HydrophobicContact CB-CB 4.33Å; E162-A205 WeakPolarHBondContact CB-O 3.43Å; E162-A205 HydrophobicContact CG-CB 3.84Å; E162-T208 HydrophobicContact CB-CG2 3.88Å; E162-T209 WeakPolarHBondContact CA-OG1 3.39Å; E162-T209 WeakPolarHBondContact CB-OG1 3.25Å
163K98.7Very high97.8Very high85 Ų8555 Ų5537%0.3733%0.328SS..THydrogen-bonded Turntrans-96.7-20.6175.3-54.3180-176.9179.50113.2Y157 C161 G165 N166 M171Y157-K163 WeakPolarHBondContact O-CB 3.35Å; Y157-K163 PolarHBondContact O-N 2.87Å; C161-K163 PolarHBondContact O-N 3.47Å; C161-K163 VanDerWaalsContact O-N 3.14Å; K163-G165 PolarHBondContact O-N 3.11Å; K163-G165 VanDerWaalsContact O-N 3.07Å; K163-N166 WeakPolarHBondContact O-CB 3.44Å; K163-N166 PolarHBondContact O-N 3.3Å; K163-N166 PolarHBondContact O-ND2 2.81Å; K163-N166 PolarHBondContact O-OD1 3.41Å; K163-N166 VanDerWaalsContact O-OD1 3.1Å; K163-M171 HydrophobicContact CB-CG 4.32Å; K163-M171 HydrophobicContact CB-SD 4.11Å; K163-M171 WeakPolarHBondContact O-CB 3.46Å
164F98.7Very high98Very high13 Ų1351.7 Ų51.76%0.05731%0.305CS..THydrogen-bonded Turntrans-58.6115.9-176.5173.3-110.4000111.4L113 R117 N118 Y157 C161 I174 W177 R212L113-F164 HydrophobicContact CB-CE1 4.3Å; L113-F164 HydrophobicContact CB-CE2 4.31Å; L113-F164 HydrophobicContact CB-CZ 3.92Å; L113-F164 HydrophobicContact CD1-CE2 4.39Å; R117-F164 HydrophobicContact CB-CD1 4.06Å; R117-F164 HydrophobicContact CB-CE1 4.06Å; N118-F164 HydrophobicContact CB-CE1 4.23Å; Y157-F164 HydrophobicContact CD1-CB 4.04Å; Y157-F164 HydrophobicContact CD1-CD2 4.22Å; Y157-F164 HydrophobicContact CD2-CB 4.23Å; Y157-F164 HydrophobicContact CD2-CD2 4.11Å; Y157-F164 AromaticContact CE1-CD2 3.99Å; Y157-F164 HydrophobicContact CE1-CD2 3.99Å; Y157-F164 AromaticContact CE2-CD2 3.89Å; Y157-F164 HydrophobicContact CE2-CD2 3.89Å; Y157-F164 HydrophobicContact CG-CB 3.85Å; Y157-F164 HydrophobicContact CG-CD2 4.3Å; Y157-F164 AromaticContact CZ-CD2 3.82Å; C161-F164 HydrophobicContact CB-CB 4.16Å; C161-F164 PolarHBondContact O-N 2.88Å; C161-F164 VanDerWaalsContact O-N 3.15Å; F164-I174 HydrophobicContact CD1-CD1 4.03Å; F164-I174 HydrophobicContact CE1-CD1 3.97Å; F164-W177 WeakPolarHBondContact O-CZ3 3.48Å; F164-R212 PolarHBondContact O-NH1 2.95Å
165G98.5Very high98.1Very high2 Ų252 Ų522%0.02131%0.312CS..THydrogen-bonded Turntrans78.713.9179.300000115.7K163 G167 M171 G172 W173 I174K163-G165 PolarHBondContact O-N 3.11Å; K163-G165 VanDerWaalsContact O-N 3.07Å; G165-G167 PolarHBondContact O-N 3.47Å; G165-M171 WeakPolarHBondContact CA-O 3.1Å; G165-M171 PolarHBondContact N-O 2.97Å; G165-G172 CarbonylContact C-O 3.41Å; G165-G172 VanDerWaalsContact C-O 3.31Å; G165-G172 WeakPolarHBondContact CA-O 3.33Å; G165-W173 WeakPolarHBondContact O-CA 3.25Å; G165-I174 PolarHBondContact O-N 2.99Å
166N98.2Very high98.2Very high31 Ų3150.4 Ų50.417%0.16630%0.299CS..BIsolated β-bridgetrans-77.4-5.2-175.972-4.8000114.1K163 E168 M171 W177 P179K163-N166 WeakPolarHBondContact O-CB 3.44Å; K163-N166 PolarHBondContact O-N 3.3Å; K163-N166 PolarHBondContact O-ND2 2.81Å; K163-N166 PolarHBondContact O-OD1 3.41Å; K163-N166 VanDerWaalsContact O-OD1 3.1Å; N166-E168 PolarHBondContact ND2-OE2 2.67Å; N166-E168 VanDerWaalsContact OD1-CB 3.27Å; N166-E168 WeakPolarHBondContact OD1-CB 3.18Å; N166-E168 WeakPolarHBondContact OD1-CG 3.47Å; N166-E168 PolarHBondContact OD1-N 3.48Å; N166-M171 VanDerWaalsContact OD1-CB 3.26Å; N166-M171 WeakPolarHBondContact OD1-CB 3.15Å; N166-W177 HydrophobicContact CB-CH2 4.04Å; N166-W177 HydrophobicContact CB-CZ3 3.76Å; N166-P179 HydrophobicContact CB-CG 4.03Å
167G97.7Very high98.2Very high50 Ų5046.4 Ų46.452%0.51528%0.28SS..SBendtrans90.2-5.7-178.500000115G165 G172G165-G167 PolarHBondContact O-N 3.47Å; G167-G172 WeakPolarHBondContact CA-O 3.32Å; G167-G172 PolarHBondContact N-O 3.16Å
168E97.8Very high98.2Very high110 Ų11052.3 Ų52.351%0.51431%0.306SS..SBendtrans-69.9159.7173.3-65.3176.7159.800111.6N166 G170 M171N166-E168 PolarHBondContact ND2-OE2 2.67Å; N166-E168 VanDerWaalsContact OD1-CB 3.27Å; N166-E168 WeakPolarHBondContact OD1-CB 3.18Å; N166-E168 WeakPolarHBondContact OD1-CG 3.47Å; N166-E168 PolarHBondContact OD1-N 3.48Å; E168-G170 PolarHBondContact O-N 2.84Å; E168-M171 HydrophobicContact CB-CB 4.45Å; E168-M171 HydrophobicContact CB-CG 3.98Å; E168-M171 WeakPolarHBondContact O-CB 3.37Å; E168-M171 PolarHBondContact O-N 3.01Å
169S97.6Very high98.2Very high122 Ų12254.5 Ų54.585%0.85332%0.319SS*.THydrogen-bonded Turntrans-54.9126.1179.4-171.70000111.4M171S169-M171 VanDerWaalsContact C-N 3.27Å; S169-M171 PolarHBondContact O-N 2.84Å
170G96.7Very high98.2Very high70 Ų7055.1 Ų55.172%0.72232%0.319SS*.THydrogen-bonded Turntrans80-5-18000000115.7E168E168-G170 PolarHBondContact O-N 2.84Å
171M98.2Very high98.1Very high36 Ų3661.5 Ų61.518%0.17735%0.352CS..THydrogen-bonded Turntrans-95.8-14.7-177-57.1-53.1151.900113.8Y157 K163 G165 N166 E168 S169Y157-M171 HydrophobicContact CD1-SD 3.72Å; Y157-M171 HydrophobicContact CE1-SD 4.03Å; K163-M171 HydrophobicContact CB-CG 4.32Å; K163-M171 HydrophobicContact CB-SD 4.11Å; K163-M171 WeakPolarHBondContact O-CB 3.46Å; G165-M171 WeakPolarHBondContact CA-O 3.1Å; G165-M171 PolarHBondContact N-O 2.97Å; N166-M171 VanDerWaalsContact OD1-CB 3.26Å; N166-M171 WeakPolarHBondContact OD1-CB 3.15Å; E168-M171 HydrophobicContact CB-CB 4.45Å; E168-M171 HydrophobicContact CB-CG 3.98Å; E168-M171 WeakPolarHBondContact O-CB 3.37Å; E168-M171 PolarHBondContact O-N 3.01Å; S169-M171 VanDerWaalsContact C-N 3.27Å; S169-M171 PolarHBondContact O-N 2.84Å
172G97.8Very high98Very high48 Ų4862.9 Ų62.950%0.49536%0.357SS..  trans71.8-175.3-171.100000112G165 G167G165-G172 CarbonylContact C-O 3.41Å; G165-G172 VanDerWaalsContact C-O 3.31Å; G165-G172 WeakPolarHBondContact CA-O 3.33Å; G167-G172 WeakPolarHBondContact CA-O 3.32Å; G167-G172 PolarHBondContact N-O 3.16Å
173W98.3Very high98Very high181 Ų18163.2 Ų63.269%0.68636%0.363SS*.BIsolated β-bridgetrans-138.4127.5-177.7179.651.4000110.7G165 P175G165-W173 WeakPolarHBondContact O-CA 3.25Å; W173-P175 HydrophobicContact CD2-CG 4.21Å; W173-P175 HydrophobicContact CE3-CB 4.37Å; W173-P175 HydrophobicContact CE3-CG 3.85Å; W173-P175 HydrophobicContact CH2-CB 3.75Å; W173-P175 HydrophobicContact CH2-CG 4.07Å; W173-P175 HydrophobicContact CZ2-CB 3.89Å; W173-P175 HydrophobicContact CZ2-CG 4.4Å; W173-P175 HydrophobicContact CZ3-CB 4Å; W173-P175 HydrophobicContact CZ3-CG 3.78Å; W173-P175 WeakPolarHBondContact O-CD 3.33Å
174I98.8Very high97.9Very high2 Ų261.1 Ų61.11%0.0136%0.358CS..  trans-99.4105.2170.4-64.5163.2000107.2N118 I119 T120 F164 G165 D176 W177N118-I174 HydrophobicContact CB-CD1 4.35Å; N118-I174 HydrophobicContact CB-CG1 4.39Å; I119-I174 HydrophobicContact CG1-CG2 3.84Å; T120-I174 WeakPolarHBondContact OG1-CG2 3.39Å; F164-I174 HydrophobicContact CD1-CD1 4.03Å; F164-I174 HydrophobicContact CE1-CD1 3.97Å; G165-I174 PolarHBondContact O-N 2.99Å; I174-D176 VanDerWaalsContact C-N 3.28Å; I174-D176 PolarHBondContact O-N 2.91Å; I174-W177 HydrophobicContact CB-CB 3.92Å; I174-W177 HydrophobicContact CB-CE3 4.47Å; I174-W177 HydrophobicContact CD1-CE3 4.2Å; I174-W177 HydrophobicContact CG2-CB 3.66Å; I174-W177 PolarHBondContact O-N 3.33Å
175P98.4Very high97.8Very high69 Ų6967.4 Ų67.445%0.44839%0.387SS..THydrogen-bonded Turntrans-61-31.1-169.6-25.834000115.6W173W173-P175 HydrophobicContact CD2-CG 4.21Å; W173-P175 HydrophobicContact CE3-CB 4.37Å; W173-P175 HydrophobicContact CE3-CG 3.85Å; W173-P175 HydrophobicContact CH2-CB 3.75Å; W173-P175 HydrophobicContact CH2-CG 4.07Å; W173-P175 HydrophobicContact CZ2-CB 3.89Å; W173-P175 HydrophobicContact CZ2-CG 4.4Å; W173-P175 HydrophobicContact CZ3-CB 4Å; W173-P175 HydrophobicContact CZ3-CG 3.78Å; W173-P175 WeakPolarHBondContact O-CD 3.33Å
176D98.7Very high97.6Very high49 Ų4972.6 Ų72.626%0.26241%0.411SS..THydrogen-bonded Turntrans-90-2-179.6-55.9-71000113.3T120 K123 I174 L219T120-D176 VanDerWaalsContact CA-OD2 3.3Å; T120-D176 WeakPolarHBondContact CA-OD2 3.39Å; T120-D176 WeakPolarHBondContact CB-OD2 3.21Å; T120-D176 WeakPolarHBondContact CG2-OD2 3.3Å; T120-D176 WeakPolarHBondContact OG1-CB 3.45Å; T120-D176 VanDerWaalsContact OG1-CG 3.27Å; T120-D176 PolarHBondContact OG1-N 2.93Å; T120-D176 VanDerWaalsContact OG1-N 3.15Å; T120-D176 PolarHBondContact OG1-OD2 2.83Å; K123-D176 WeakPolarHBondContact CE-OD2 3.27Å; K123-D176 IonicContact NZ-OD1 2.99Å; K123-D176 PolarHBondContact NZ-OD1 2.86Å; K123-D176 IonicContact NZ-OD2 3.06Å; K123-D176 PolarHBondContact NZ-OD2 3.12Å; I174-D176 VanDerWaalsContact C-N 3.28Å; I174-D176 PolarHBondContact O-N 2.91Å; D176-L219 HydrophobicContact CB-CD1 3.54Å; D176-L219 HydrophobicContact CB-CD2 4.34Å
177W98.8Very high97.5Very high7 Ų771.5 Ų71.53%0.02741%0.406CS..  trans-99.2128.3178.3179.442.2000110.7I119 E162 F164 N166 I174 P179 T208 R212I119-W177 HydrophobicContact CD1-CB 3.81Å; I119-W177 HydrophobicContact CD1-CG 4.36Å; I119-W177 HydrophobicContact CG1-CB 4.15Å; E162-W177 WeakPolarHBondContact O-CH2 3.41Å; F164-W177 WeakPolarHBondContact O-CZ3 3.48Å; N166-W177 HydrophobicContact CB-CH2 4.04Å; N166-W177 HydrophobicContact CB-CZ3 3.76Å; I174-W177 HydrophobicContact CB-CB 3.92Å; I174-W177 HydrophobicContact CB-CE3 4.47Å; I174-W177 HydrophobicContact CD1-CE3 4.2Å; I174-W177 HydrophobicContact CG2-CB 3.66Å; I174-W177 PolarHBondContact O-N 3.33Å; W177-P179 HydrophobicContact CD2-CG 4.06Å; W177-P179 HydrophobicContact CE3-CG 4.02Å; W177-P179 HydrophobicContact CH2-CB 4.04Å; W177-P179 HydrophobicContact CH2-CG 3.9Å; W177-P179 HydrophobicContact CZ2-CB 3.81Å; W177-P179 HydrophobicContact CZ2-CG 3.95Å; W177-P179 HydrophobicContact CZ3-CG 3.96Å; W177-P179 WeakPolarHBondContact O-CD 3.26Å; W177-T208 HydrophobicContact CZ2-CG2 4.23Å; W177-R212 HydrophobicContact CD2-CB 4.26Å; W177-R212 HydrophobicContact CD2-CG 3.93Å; W177-R212 HydrophobicContact CG-CB 4.33Å; W177-R212 HydrophobicContact CG-CG 3.84Å; W177-R212 HydrophobicContact CZ2-CB 4.14Å
178K98.4Very high97.5Very high164 Ų16474.4 Ų74.471%0.71341%0.406SS*.  trans-105.1104.5168.7-62.9179.1-175.8176.40108.4Q180 Q215K178-Q180 PolarHBondContact O-N 2.97Å; K178-Q215 PolarHBondContact O-NE2 3.36Å
179P97.9Very high97.5Very high55 Ų5570.7 Ų70.736%0.35739%0.39SS..  trans-57128.7179.5-25.234.2000111.9N166 W177N166-P179 HydrophobicContact CB-CG 4.03Å; W177-P179 HydrophobicContact CD2-CG 4.06Å; W177-P179 HydrophobicContact CE3-CG 4.02Å; W177-P179 HydrophobicContact CH2-CB 4.04Å; W177-P179 HydrophobicContact CH2-CG 3.9Å; W177-P179 HydrophobicContact CZ2-CB 3.81Å; W177-P179 HydrophobicContact CZ2-CG 3.95Å; W177-P179 HydrophobicContact CZ3-CG 3.96Å; W177-P179 WeakPolarHBondContact O-CD 3.26Å
180Q97.6Very high97.4Very high35 Ų3566.1 Ų66.116%0.16436%0.358CS..  trans-108.5102.5172.8-67.5160.2-5800107Q13 K178 Y182 T208 G211Q13-Q180 PolarHBondContact O-NE2 3.17Å; K178-Q180 PolarHBondContact O-N 2.97Å; Q180-Y182 HydrophobicContact CB-CE2 3.97Å; Q180-Y182 WeakPolarHBondContact O-CD2 3.25Å; Q180-Y182 WeakPolarHBondContact O-CE2 3.48Å; Q180-T208 WeakPolarHBondContact O-CA 3.43Å; Q180-T208 WeakPolarHBondContact O-CB 3.4Å; Q180-T208 WeakPolarHBondContact O-CG2 3.34Å; Q180-T208 PolarHBondContact O-OG1 2.72Å; Q180-G211 VanDerWaalsContact OE1-CA 3.22Å
181L96.1Very high97.3Very high134 Ų13467 Ų6770%0.70234%0.343SS*.  trans-85.7141.6179.6-57.9179.2000109.6T208L181-T208 HydrophobicContact CD2-CG2 4.07Å
182Y97.5Very high97.3Very high29 Ų2966.3 Ų66.311%0.11434%0.339CS..  trans-120.5143177.4-66-91.4000109.4A11 I12 Q13 Q180 Y207A11-Y182 VanDerWaalsContact O-CE1 3.29Å; A11-Y182 WeakPolarHBondContact O-CE1 3.4Å; I12-Y182 HydrophobicContact CG1-CE1 4.29Å; I12-Y182 HydrophobicContact CG1-CE2 4.39Å; I12-Y182 WeakPolarHBondContact CG1-OH 3.14Å; Q13-Y182 PolarHBondContact N-OH 3.44Å; Q180-Y182 HydrophobicContact CB-CE2 3.97Å; Q180-Y182 WeakPolarHBondContact O-CD2 3.25Å; Q180-Y182 WeakPolarHBondContact O-CE2 3.48Å; Y182-Y207 HydrophobicContact CD1-CD2 4.04Å; Y182-Y207 VanDerWaalsContact CD2-CB 3.5Å; Y182-Y207 HydrophobicContact CE1-CD2 4.23Å; Y182-Y207 HydrophobicContact CG-CD2 4.23Å
183S96.9Very high97.3Very high36 Ų3664.2 Ų64.225%0.25232%0.317SS..  trans-81.3151.1169.479.90000110.8E185 E186S183-E185 VanDerWaalsContact CB-OE2 3.3Å; S183-E185 WeakPolarHBondContact CB-OE2 3.44Å; S183-E185 PolarHBondContact O-N 2.73Å; S183-E185 VanDerWaalsContact O-N 3.12Å; S183-E185 PolarHBondContact OG-N 3.27Å; S183-E185 PolarHBondContact OG-OE2 2.94Å; S183-E186 PolarHBondContact N-OE2 2.96Å; S183-E186 PolarHBondContact O-N 2.93Å; S183-E186 VanDerWaalsContact O-N 3.12Å; S183-E186 VanDerWaalsContact OG-CD 3.24Å; S183-E186 WeakPolarHBondContact OG-CG 3.42Å; S183-E186 PolarHBondContact OG-N 3.45Å; S183-E186 PolarHBondContact OG-OE2 3.44Å
184P97.6Very high97.3Very high40 Ų4055.7 Ų55.726%0.2629%0.285SS..THydrogen-bonded Turntrans-57.9-20.7173.2-25.335.8000114.2V187 R200 A201P184-V187 WeakPolarHBondContact O-CG2 3.34Å; P184-R200 HydrophobicContact CB-CB 3.8Å; P184-R200 WeakPolarHBondContact O-CB 3.39Å; P184-R200 WeakPolarHBondContact O-CD 3.42Å; P184-R200 PolarHBondContact O-NH1 2.81Å; P184-A201 HydrophobicContact CG-CB 4.36Å
185E96.1Very high97.3Very high145 Ų14559 Ų5968%0.67830%0.302SS*.THydrogen-bonded Turntrans-82.6-24179.2-59.872.4-153.900112.6S183S183-E185 VanDerWaalsContact CB-OE2 3.3Å; S183-E185 WeakPolarHBondContact CB-OE2 3.44Å; S183-E185 PolarHBondContact O-N 2.73Å; S183-E185 VanDerWaalsContact O-N 3.12Å; S183-E185 PolarHBondContact OG-N 3.27Å; S183-E185 PolarHBondContact OG-OE2 2.94Å
186E93.7Very high97.3Very high112 Ų11255.9 Ų55.952%0.52328%0.282SS..THydrogen-bonded Turntrans-81.5-23.1-178.2-74.6164.4167.400113.2A11 S183A11-E186 VanDerWaalsContact CB-O 3.3Å; A11-E186 WeakPolarHBondContact CB-O 3.21Å; S183-E186 PolarHBondContact N-OE2 2.96Å; S183-E186 PolarHBondContact O-N 2.93Å; S183-E186 VanDerWaalsContact O-N 3.12Å; S183-E186 VanDerWaalsContact OG-CD 3.24Å; S183-E186 WeakPolarHBondContact OG-CG 3.42Å; S183-E186 PolarHBondContact OG-N 3.45Å; S183-E186 PolarHBondContact OG-OE2 3.44Å
187V96.9Very high97.3Very high8 Ų858.2 Ų58.25%0.04830%0.3CS..SBendtrans-74.6141.7-173.4-57.70000113P184 V189 R200 L203 A204 Y207P184-V187 WeakPolarHBondContact O-CG2 3.34Å; V187-V189 PolarHBondContact O-N 2.59Å; V187-R200 HydrophobicContact CG2-CB 4.33Å; V187-R200 HydrophobicContact CG2-CG 4.4Å; V187-L203 HydrophobicContact CB-CB 4.11Å; V187-L203 HydrophobicContact CG1-CB 4.29Å; V187-L203 HydrophobicContact CG2-CB 3.81Å; V187-L203 HydrophobicContact CG2-CD1 4.14Å; V187-A204 HydrophobicContact CG1-CB 4.01Å; V187-Y207 HydrophobicContact CB-CE2 4.15Å; V187-Y207 HydrophobicContact CG1-CD1 4.49Å; V187-Y207 HydrophobicContact CG1-CD2 3.93Å; V187-Y207 HydrophobicContact CG1-CE2 4.06Å; V187-Y207 HydrophobicContact CG1-CG 4.16Å
188Q97Very high97.3Very high110 Ų11059.2 Ų59.251%0.51431%0.31SS..  trans-78.7119.9168.1-174.4177.82.400109.3A11 P190 Y207A11-Q188 HydrophobicContact CB-CB 4.48Å; Q188-P190 WeakPolarHBondContact O-CD 3.49Å; Q188-Y207 PolarHBondContact N-OH 2.79Å; Q188-Y207 PolarHBondContact O-OH 3.04Å
189V97.6Very high97.3Very high32 Ų3251.4 Ų51.419%0.19428%0.276CS..  trans-84.5115.3177-174.90000109.2V187 V193 D195 R200 L203V187-V189 PolarHBondContact O-N 2.59Å; V189-V193 HydrophobicContact CG1-CB 4.09Å; V189-V193 HydrophobicContact CG1-CG1 4.31Å; V189-D195 HydrophobicContact CG1-CB 4.27Å; V189-R200 HydrophobicContact CG2-CG 3.89Å; V189-L203 HydrophobicContact CB-CD1 4.32Å; V189-L203 HydrophobicContact CG1-CD1 4.29Å; V189-L203 HydrophobicContact CG2-CD1 4.05Å
190P96.8Very high97.3Very high27 Ų2751.8 Ų51.818%0.17527%0.27CS..  trans-63.1146.4175.3-18.731.3000111Q188 F192 V193 I243Q188-P190 WeakPolarHBondContact O-CD 3.49Å; P190-F192 HydrophobicContact CB-CD1 3.97Å; P190-F192 HydrophobicContact CB-CE1 3.52Å; P190-F192 HydrophobicContact CB-CE2 4.13Å; P190-F192 HydrophobicContact CB-CG 4.45Å; P190-F192 HydrophobicContact CB-CZ 3.62Å; P190-F192 HydrophobicContact CG-CZ 4.21Å; P190-F192 PolarHBondContact O-N 2.67Å; P190-V193 HydrophobicContact CB-CG2 4.01Å; P190-V193 HydrophobicContact CG-CG2 3.94Å; P190-V193 PolarHBondContact O-N 2.98Å; P190-I243 HydrophobicContact CG-CD1 4.26Å
191H95Very high97.4Very high87 Ų8752.5 Ų52.540%0.40328%0.282SS..THydrogen-bonded Turntrans-58.4-21.4-173.670.581.7000114.8N391H191-N391 PolarHBondContact O-ND2 3.5Å
192F96.8Very high97.5Very high22 Ų2246.2 Ų46.210%0.09625%0.249CC..THydrogen-bonded Turntrans-93.5-3.4179.457.3-96.8000113.4P190 I243 F245 P246 W390P190-F192 HydrophobicContact CB-CD1 3.97Å; P190-F192 HydrophobicContact CB-CE1 3.52Å; P190-F192 HydrophobicContact CB-CE2 4.13Å; P190-F192 HydrophobicContact CB-CG 4.45Å; P190-F192 HydrophobicContact CB-CZ 3.62Å; P190-F192 HydrophobicContact CG-CZ 4.21Å; P190-F192 PolarHBondContact O-N 2.67Å; F192-I243 HydrophobicContact CE2-CD1 3.72Å; F192-I243 HydrophobicContact CE2-CG1 3.81Å; F192-I243 HydrophobicContact CZ-CD1 3.73Å; F192-I243 HydrophobicContact CZ-CG1 3.94Å; F192-F245 HydrophobicContact CE2-CB 4.48Å; F192-P246 VanDerWaalsContact CD2-O 3.28Å; F192-P246 WeakPolarHBondContact CD2-O 3.47Å; F192-W390 PolarHBondContact O-NE1 3.13Å
193V98.3Very high97.6Very high5 Ų544.9 Ų44.93%0.0324%0.244CC..SBendtrans-97.1134.5175.2-177.80000108.9V189 P190 D195 A199 L203 F245 T374V189-V193 HydrophobicContact CG1-CB 4.09Å; V189-V193 HydrophobicContact CG1-CG1 4.31Å; P190-V193 HydrophobicContact CB-CG2 4.01Å; P190-V193 HydrophobicContact CG-CG2 3.94Å; P190-V193 PolarHBondContact O-N 2.98Å; V193-D195 PolarHBondContact O-N 2.95Å; V193-A199 HydrophobicContact CG1-CB 3.9Å; V193-L203 HydrophobicContact CG1-CD1 4.37Å; V193-F245 HydrophobicContact CG1-CD1 3.81Å; V193-F245 HydrophobicContact CG1-CE1 4.22Å; V193-F245 HydrophobicContact CG2-CB 3.85Å; V193-F245 HydrophobicContact CG2-CD1 4.04Å; V193-F245 HydrophobicContact CG2-CG 4Å; V193-T374 HydrophobicContact CG1-CG2 4.5Å
194P98.4Very high97.7Very high1 Ų143.5 Ų43.51%0.00624%0.235CC..  trans-57.6129.6173.5-22.231.8000111.2T196 A199 P246 T374 L378 H389 W390P194-T196 VanDerWaalsContact C-N 3.33Å; P194-T196 HydrophobicContact CB-CG2 4.22Å; P194-T196 PolarHBondContact O-N 3.38Å; P194-A199 WeakPolarHBondContact O-CB 3.45Å; P194-P246 HydrophobicContact CG-CG 4.24Å; P194-T374 HydrophobicContact CG-CG2 4.24Å; P194-L378 HydrophobicContact CG-CD1 4.39Å; P194-L378 HydrophobicContact CG-CD2 4.45Å; P194-H389 WeakPolarHBondContact CA-O 3.38Å; P194-W390 HydrophobicContact CB-CB 4.18Å; P194-W390 HydrophobicContact CG-CB 4.02Å; P194-W390 HydrophobicContact CG-CG 3.95Å
195D98.4Very high97.7Very high72 Ų7242.1 Ų42.139%0.38523%0.226SC..  trans-83.479.6177-167.4-6.4000110.6V189 V193 R200 H389V189-D195 HydrophobicContact CG1-CB 4.27Å; V193-D195 PolarHBondContact O-N 2.95Å; D195-R200 IonicContact OD1-CZ 3.5Å; D195-R200 IonicContact OD1-NE 3.08Å; D195-R200 PolarHBondContact OD1-NE 2.99Å; D195-R200 IonicContact OD1-NH2 3.35Å; D195-R200 PolarHBondContact OD1-NH2 3.39Å; D195-R200 IonicContact OD2-CZ 3.26Å; D195-R200 IonicContact OD2-NH2 3.02Å; D195-R200 PolarHBondContact OD2-NH2 2.86Å; D195-H389 PolarHBondContact N-O 3.23Å; D195-H389 WeakPolarHBondContact O-CB 3.38Å
196T98.8Very high97.8Very high3 Ų335.3 Ų35.32%0.01819%0.194CC..SBendtrans-130.8158.9179.273.80000111.3P194 A198 A199 R200 D377 H389P194-T196 VanDerWaalsContact C-N 3.33Å; P194-T196 HydrophobicContact CB-CG2 4.22Å; P194-T196 PolarHBondContact O-N 3.38Å; T196-A198 PolarHBondContact O-N 2.9Å; T196-A199 PolarHBondContact O-N 2.86Å; T196-A199 VanDerWaalsContact O-N 3.14Å; T196-A199 PolarHBondContact OG1-N 2.93Å; T196-R200 WeakPolarHBondContact O-CG 3.31Å; T196-R200 PolarHBondContact O-N 2.81Å; T196-D377 VanDerWaalsContact CB-OD2 3.22Å; T196-D377 WeakPolarHBondContact CB-OD2 3.41Å; T196-D377 WeakPolarHBondContact CG2-OD2 3.14Å; T196-D377 PolarHBondContact OG1-OD2 3.48Å; T196-H389 HydrophobicContact CG2-CB 4.19Å
197P98.8Very high98.1Very high98 Ų9830 Ų3064%0.63617%0.17SC*.Hα-helixtrans-55.3-36.6177.7-27.935.9000113.6A201P197-A201 WeakPolarHBondContact O-CB 3.47Å; P197-A201 PolarHBondContact O-N 2.77Å
198A98.6Very high98.2Very high28 Ų2829.9 Ų29.923%0.23117%0.169CC..Hα-helixtrans-63.9-47177.900000111.7T196 A201 D202 D377T196-A198 PolarHBondContact O-N 2.9Å; A198-A201 PolarHBondContact O-N 2.82Å; A198-D202 WeakPolarHBondContact O-CB 3.37Å; A198-D202 PolarHBondContact O-N 3.07Å; A198-D202 VanDerWaalsContact O-N 3.09Å; A198-D377 HydrophobicContact CB-CB 3.66Å
199A98.8Very high98.2Very high0 Ų024.7 Ų24.70%015%0.145CC..Hα-helixtrans-68.7-38.1179.700000112.7V193 P194 T196 D202 L203 T374V193-A199 HydrophobicContact CG1-CB 3.9Å; P194-A199 WeakPolarHBondContact O-CB 3.45Å; T196-A199 PolarHBondContact O-N 2.86Å; T196-A199 VanDerWaalsContact O-N 3.14Å; T196-A199 PolarHBondContact OG1-N 2.93Å; A199-D202 VanDerWaalsContact O-CB 3.31Å; A199-D202 WeakPolarHBondContact O-CB 3.43Å; A199-D202 PolarHBondContact O-N 3.18Å; A199-L203 WeakPolarHBondContact O-CG 3.39Å; A199-L203 PolarHBondContact O-N 3.25Å; A199-T374 WeakPolarHBondContact CA-OG1 3.4Å; A199-T374 HydrophobicContact CB-CG2 3.95Å
200R98.8Very high98.3Very high64 Ų6423.2 Ų23.224%0.24214%0.136CC..Hα-helixtrans-63.1-41.7174.9-73.7179174.9-92.2-4.2112.7P184 V187 V189 D195 T196 D202 L203 A204P184-R200 HydrophobicContact CB-CB 3.8Å; P184-R200 WeakPolarHBondContact O-CB 3.39Å; P184-R200 WeakPolarHBondContact O-CD 3.42Å; P184-R200 PolarHBondContact O-NH1 2.81Å; V187-R200 HydrophobicContact CG2-CB 4.33Å; V187-R200 HydrophobicContact CG2-CG 4.4Å; V189-R200 HydrophobicContact CG2-CG 3.89Å; D195-R200 IonicContact OD1-CZ 3.5Å; D195-R200 IonicContact OD1-NE 3.08Å; D195-R200 PolarHBondContact OD1-NE 2.99Å; D195-R200 IonicContact OD1-NH2 3.35Å; D195-R200 PolarHBondContact OD1-NH2 3.39Å; D195-R200 IonicContact OD2-CZ 3.26Å; D195-R200 IonicContact OD2-NH2 3.02Å; D195-R200 PolarHBondContact OD2-NH2 2.86Å; T196-R200 WeakPolarHBondContact O-CG 3.31Å; T196-R200 PolarHBondContact O-N 2.81Å; R200-D202 VanDerWaalsContact C-N 3.31Å; R200-D202 PolarHBondContact O-N 2.86Å; R200-L203 PolarHBondContact O-N 2.96Å; R200-A204 PolarHBondContact O-N 3.12Å
201A98.8Very high98.4Very high49 Ų4922 Ų2241%0.40513%0.127SC..Hα-helixtrans-63.7-38.6173.800000112P184 P197 A198 A204 A205P184-A201 HydrophobicContact CG-CB 4.36Å; P197-A201 WeakPolarHBondContact O-CB 3.47Å; P197-A201 PolarHBondContact O-N 2.77Å; A198-A201 PolarHBondContact O-N 2.82Å; A201-A204 PolarHBondContact O-N 3.36Å; A201-A205 PolarHBondContact O-N 3.14Å; A201-A205 VanDerWaalsContact O-N 3.11Å
202D98.5Very high98.6Very high3 Ų317.8 Ų17.82%0.01611%0.108CC..Hα-helixtrans-62.4-44.1174.9-14312.9000111.3R149 A159 F160 A198 A199 R200 A205 Q206 F245 T374R149-D202 IonicContact CZ-OD1 2.68Å; R149-D202 IonicContact CZ-OD2 3.26Å; R149-D202 VanDerWaalsContact CZ-OD2 3.25Å; R149-D202 IonicContact NH1-OD1 2.79Å; R149-D202 PolarHBondContact NH1-OD1 2.75Å; R149-D202 IonicContact NH1-OD2 2.93Å; R149-D202 PolarHBondContact NH1-OD2 3.11Å; R149-D202 IonicContact NH2-OD1 3.35Å; R149-D202 IonicContact NH2-OD2 2.7Å; R149-D202 PolarHBondContact NH2-OD2 2.85Å; A159-D202 WeakPolarHBondContact CB-OD1 3.32Å; F160-D202 WeakPolarHBondContact CD2-O 3.43Å; F160-D202 VanDerWaalsContact CE2-O 3.23Å; F160-D202 WeakPolarHBondContact CE2-O 3.49Å; F160-D202 WeakPolarHBondContact CE2-OD1 3.43Å; A198-D202 WeakPolarHBondContact O-CB 3.37Å; A198-D202 PolarHBondContact O-N 3.07Å; A198-D202 VanDerWaalsContact O-N 3.09Å; A199-D202 VanDerWaalsContact O-CB 3.31Å; A199-D202 WeakPolarHBondContact O-CB 3.43Å; A199-D202 PolarHBondContact O-N 3.18Å; R200-D202 VanDerWaalsContact C-N 3.31Å; R200-D202 PolarHBondContact O-N 2.86Å; D202-A205 PolarHBondContact O-N 3.22Å; D202-Q206 PolarHBondContact O-N 2.74Å; D202-F245 HydrophobicContact CB-CE1 4.04Å; D202-F245 HydrophobicContact CB-CZ 4.2Å; D202-T374 PolarHBondContact OD2-OG1 2.82Å
203L98.8Very high98.7Very high1 Ų117.2 Ų17.21%0.00511%0.106CC..Hα-helixtrans-64.2-39.8174.5-74.3167.2000112.4V187 V189 V193 A199 R200 A205 Q206 Y207 F245V187-L203 HydrophobicContact CB-CB 4.11Å; V187-L203 HydrophobicContact CG1-CB 4.29Å; V187-L203 HydrophobicContact CG2-CB 3.81Å; V187-L203 HydrophobicContact CG2-CD1 4.14Å; V189-L203 HydrophobicContact CB-CD1 4.32Å; V189-L203 HydrophobicContact CG1-CD1 4.29Å; V189-L203 HydrophobicContact CG2-CD1 4.05Å; V193-L203 HydrophobicContact CG1-CD1 4.37Å; A199-L203 WeakPolarHBondContact O-CG 3.39Å; A199-L203 PolarHBondContact O-N 3.25Å; R200-L203 PolarHBondContact O-N 2.96Å; L203-A205 PolarHBondContact O-N 3.33Å; L203-Q206 WeakPolarHBondContact O-CB 3.36Å; L203-Q206 PolarHBondContact O-N 3.39Å; L203-Q206 VanDerWaalsContact O-N 3.16Å; L203-Y207 VanDerWaalsContact O-CD1 3.22Å; L203-Y207 WeakPolarHBondContact O-CD1 3.37Å; L203-Y207 PolarHBondContact O-N 2.65Å; L203-F245 HydrophobicContact CD2-CE1 4.28Å; L203-F245 HydrophobicContact CD2-CE2 4.11Å; L203-F245 HydrophobicContact CD2-CZ 3.8Å; L203-F245 HydrophobicContact CG-CE1 4.26Å; L203-F245 HydrophobicContact CG-CZ 4.06Å
204A98.7Very high98.7Very high7 Ų717 Ų176%0.05810%0.104CC..Hα-helixtrans-63.8-40.5177.800000112.3V187 R200 A201 Y207 T208V187-A204 HydrophobicContact CG1-CB 4.01Å; R200-A204 PolarHBondContact O-N 3.12Å; A201-A204 PolarHBondContact O-N 3.36Å; A204-Y207 PolarHBondContact O-N 3.08Å; A204-T208 PolarHBondContact O-N 3.23Å; A204-T208 VanDerWaalsContact O-N 3.12Å; A204-T208 PolarHBondContact O-OG1 2.86Å
205A98.6Very high98.7Very high11 Ų1118.2 Ų18.29%0.09111%0.11CC..Hα-helixtrans-63.9-40.6171.500000112F160 E162 A201 D202 L203 T208 T209F160-A205 HydrophobicContact CB-CB 4.43Å; F160-A205 HydrophobicContact CD2-CB 4.01Å; E162-A205 HydrophobicContact CB-CB 4.33Å; E162-A205 WeakPolarHBondContact CB-O 3.43Å; E162-A205 HydrophobicContact CG-CB 3.84Å; A201-A205 PolarHBondContact O-N 3.14Å; A201-A205 VanDerWaalsContact O-N 3.11Å; D202-A205 PolarHBondContact O-N 3.22Å; L203-A205 PolarHBondContact O-N 3.33Å; A205-T208 PolarHBondContact O-N 2.68Å; A205-T209 PolarHBondContact O-N 2.95Å; A205-T209 PolarHBondContact O-OG1 3.09Å
206Q98.8Very high98.7Very high1 Ų114.8 Ų14.81%0.0059%0.092CC..Hα-helixtrans-60.4-47.4174.1-170.4-170.624.200111.5F160 D202 L203 T208 T209 I210F160-Q206 HydrophobicContact CD1-CB 4.14Å; F160-Q206 HydrophobicContact CD1-CG 4.09Å; F160-Q206 HydrophobicContact CD2-CB 3.99Å; F160-Q206 HydrophobicContact CE1-CB 4.03Å; F160-Q206 HydrophobicContact CE1-CG 3.83Å; F160-Q206 HydrophobicContact CE2-CB 3.88Å; F160-Q206 HydrophobicContact CG-CB 4.11Å; F160-Q206 HydrophobicContact CZ-CB 3.9Å; F160-Q206 HydrophobicContact CZ-CG 4.07Å; D202-Q206 PolarHBondContact O-N 2.74Å; L203-Q206 WeakPolarHBondContact O-CB 3.36Å; L203-Q206 PolarHBondContact O-N 3.39Å; L203-Q206 VanDerWaalsContact O-N 3.16Å; Q206-T208 VanDerWaalsContact C-N 3.33Å; Q206-T208 PolarHBondContact O-N 3.26Å; Q206-T209 WeakPolarHBondContact O-CB 3.32Å; Q206-T209 PolarHBondContact O-N 3.17Å; Q206-T209 VanDerWaalsContact O-N 3.07Å; Q206-I210 HydrophobicContact CG-CD1 3.98Å; Q206-I210 HydrophobicContact CG-CG1 4.41Å; Q206-I210 WeakPolarHBondContact O-CG1 3.1Å; Q206-I210 PolarHBondContact O-N 3.24Å
207Y98.8Very high98.7Very high2 Ų215.2 Ų15.21%0.0089%0.094CC..Hα-helixtrans-60.6-42.7-179.2-83.333.6000111.6E3 N9 A11 I12 Y182 V187 Q188 L203 A204 T209 I210 G211E3-Y207 HydrophobicContact CB-CE1 4.26Å; E3-Y207 HydrophobicContact CG-CE1 3.97Å; N9-Y207 PolarHBondContact ND2-OH 3.05Å; A11-Y207 HydrophobicContact CB-CE2 4.06Å; I12-Y207 HydrophobicContact CB-CD2 3.68Å; I12-Y207 HydrophobicContact CB-CE2 3.76Å; I12-Y207 HydrophobicContact CB-CG 4.4Å; I12-Y207 HydrophobicContact CD1-CD1 4.18Å; I12-Y207 HydrophobicContact CD1-CD2 3.92Å; I12-Y207 HydrophobicContact CD1-CE2 4.49Å; I12-Y207 HydrophobicContact CD1-CG 3.74Å; I12-Y207 HydrophobicContact CG1-CD2 3.8Å; I12-Y207 HydrophobicContact CG1-CE2 4.37Å; I12-Y207 HydrophobicContact CG1-CG 4.11Å; Y182-Y207 HydrophobicContact CD1-CD2 4.04Å; Y182-Y207 VanDerWaalsContact CD2-CB 3.5Å; Y182-Y207 HydrophobicContact CE1-CD2 4.23Å; Y182-Y207 HydrophobicContact CG-CD2 4.23Å; V187-Y207 HydrophobicContact CB-CE2 4.15Å; V187-Y207 HydrophobicContact CG1-CD1 4.49Å; V187-Y207 HydrophobicContact CG1-CD2 3.93Å; V187-Y207 HydrophobicContact CG1-CE2 4.06Å; V187-Y207 HydrophobicContact CG1-CG 4.16Å; Q188-Y207 PolarHBondContact N-OH 2.79Å; Q188-Y207 PolarHBondContact O-OH 3.04Å; L203-Y207 VanDerWaalsContact O-CD1 3.22Å; L203-Y207 WeakPolarHBondContact O-CD1 3.37Å; L203-Y207 PolarHBondContact O-N 2.65Å; A204-Y207 PolarHBondContact O-N 3.08Å; Y207-T209 VanDerWaalsContact C-N 3.26Å; Y207-T209 PolarHBondContact O-N 3.16Å; Y207-I210 PolarHBondContact O-N 3.02Å; Y207-G211 PolarHBondContact O-N 2.85Å
208T98.7Very high98.7Very high5 Ų510.8 Ų10.83%0.0317%0.066CC..Hα-helixtrans-57.3-42.5174.5-57.30000111.4E162 W177 Q180 L181 A204 A205 Q206 G211 R212E162-T208 HydrophobicContact CB-CG2 3.88Å; W177-T208 HydrophobicContact CZ2-CG2 4.23Å; Q180-T208 WeakPolarHBondContact O-CA 3.43Å; Q180-T208 WeakPolarHBondContact O-CB 3.4Å; Q180-T208 WeakPolarHBondContact O-CG2 3.34Å; Q180-T208 PolarHBondContact O-OG1 2.72Å; L181-T208 HydrophobicContact CD2-CG2 4.07Å; A204-T208 PolarHBondContact O-N 3.23Å; A204-T208 VanDerWaalsContact O-N 3.12Å; A204-T208 PolarHBondContact O-OG1 2.86Å; A205-T208 PolarHBondContact O-N 2.68Å; Q206-T208 VanDerWaalsContact C-N 3.33Å; Q206-T208 PolarHBondContact O-N 3.26Å; T208-G211 PolarHBondContact O-N 2.83Å; T208-R212 PolarHBondContact O-N 3.44Å
209T98.8Very high98.8Very high0 Ų010.4 Ų10.40%06%0.06CC..Hα-helixtrans-72.8-36.9-179.6-57.40000112.3D146 P147 F160 E162 A205 Q206 Y207 G211 R212 M213D146-T209 HydrophobicContact CB-CG2 3.81Å; D146-T209 WeakPolarHBondContact OD1-CG2 3.47Å; P147-T209 HydrophobicContact CB-CG2 4.04Å; F160-T209 WeakPolarHBondContact CB-OG1 3.37Å; F160-T209 WeakPolarHBondContact O-CG2 3.43Å; F160-T209 PolarHBondContact O-OG1 3.13Å; F160-T209 VanDerWaalsContact O-OG1 3.12Å; E162-T209 WeakPolarHBondContact CA-OG1 3.39Å; E162-T209 WeakPolarHBondContact CB-OG1 3.25Å; A205-T209 PolarHBondContact O-N 2.95Å; A205-T209 PolarHBondContact O-OG1 3.09Å; Q206-T209 WeakPolarHBondContact O-CB 3.32Å; Q206-T209 PolarHBondContact O-N 3.17Å; Q206-T209 VanDerWaalsContact O-N 3.07Å; Y207-T209 VanDerWaalsContact C-N 3.26Å; Y207-T209 PolarHBondContact O-N 3.16Å; T209-G211 VanDerWaalsContact C-N 3.29Å; T209-G211 PolarHBondContact O-N 3.18Å; T209-R212 WeakPolarHBondContact O-CB 3.29Å; T209-R212 PolarHBondContact O-N 3.02Å; T209-R212 VanDerWaalsContact O-N 3.16Å; T209-M213 PolarHBondContact O-N 2.8Å; T209-M213 VanDerWaalsContact O-N 3.08Å
210I98.7Very high98.8Very high2 Ų211.2 Ų11.21%0.017%0.065CC..Hα-helixtrans-62.3-38.7172.3-69.9175.4000110.5E3 I12 T14 P147 Q206 Y207 R212 M213 D214E3-I210 HydrophobicContact CB-CD1 3.76Å; E3-I210 HydrophobicContact CG-CD1 4.15Å; I12-I210 HydrophobicContact CD1-CB 3.87Å; I12-I210 HydrophobicContact CD1-CD1 4.49Å; I12-I210 HydrophobicContact CD1-CG2 3.62Å; T14-I210 HydrophobicContact CG2-CG2 4.05Å; P147-I210 HydrophobicContact CB-CD1 4.47Å; P147-I210 HydrophobicContact CB-CG1 3.62Å; P147-I210 HydrophobicContact CG-CD1 4.39Å; P147-I210 HydrophobicContact CG-CG1 3.85Å; Q206-I210 HydrophobicContact CG-CD1 3.98Å; Q206-I210 HydrophobicContact CG-CG1 4.41Å; Q206-I210 WeakPolarHBondContact O-CG1 3.1Å; Q206-I210 PolarHBondContact O-N 3.24Å; Y207-I210 PolarHBondContact O-N 3.02Å; I210-R212 VanDerWaalsContact C-N 3.3Å; I210-R212 PolarHBondContact O-N 3.23Å; I210-M213 HydrophobicContact CG2-CE 4.23Å; I210-M213 WeakPolarHBondContact O-CB 3.32Å; I210-M213 PolarHBondContact O-N 3.41Å; I210-M213 VanDerWaalsContact O-N 3.16Å; I210-D214 PolarHBondContact O-N 2.92Å
211G98.6Very high98.8Very high0 Ų09.7 Ų9.70%06%0.062CC..Hα-helixtrans-59.4-36.9172.500000113.6Q180 Y207 T208 T209 Q215Q180-G211 VanDerWaalsContact OE1-CA 3.22Å; Y207-G211 PolarHBondContact O-N 2.85Å; T208-G211 PolarHBondContact O-N 2.83Å; T209-G211 VanDerWaalsContact C-N 3.29Å; T209-G211 PolarHBondContact O-N 3.18Å; G211-Q215 WeakPolarHBondContact O-CG 3.47Å; G211-Q215 PolarHBondContact O-N 2.96Å; G211-Q215 VanDerWaalsContact O-N 3.12Å; G211-Q215 PolarHBondContact O-NE2 2.86Å
212R98.9Very high98.8Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-64.7-46.2171.8-173.8165.861.2-137-4.8111.9I119 D146 C161 F164 W177 T208 T209 I210 D214 Q215 G216I119-R212 HydrophobicContact CD1-CG 4.33Å; I119-R212 HydrophobicContact CG2-CG 4.01Å; D146-R212 IonicContact OD1-CZ 3.79Å; D146-R212 IonicContact OD1-NE 2.7Å; D146-R212 IonicContact OD1-NH2 3.62Å; D146-R212 PolarHBondContact OD1-NH2 3.29Å; D146-R212 IonicContact OD2-CZ 2.79Å; D146-R212 IonicContact OD2-NE 2.84Å; D146-R212 PolarHBondContact OD2-NE 3.14Å; D146-R212 IonicContact OD2-NH2 3.75Å; D146-R212 PolarHBondContact OD2-NH2 2.97Å; C161-R212 PolarHBondContact O-NH1 2.94Å; C161-R212 PolarHBondContact O-NH2 2.88Å; F164-R212 PolarHBondContact O-NH1 2.95Å; W177-R212 HydrophobicContact CD2-CB 4.26Å; W177-R212 HydrophobicContact CD2-CG 3.93Å; W177-R212 HydrophobicContact CG-CB 4.33Å; W177-R212 HydrophobicContact CG-CG 3.84Å; W177-R212 HydrophobicContact CZ2-CB 4.14Å; T208-R212 PolarHBondContact O-N 3.44Å; T209-R212 WeakPolarHBondContact O-CB 3.29Å; T209-R212 PolarHBondContact O-N 3.02Å; T209-R212 VanDerWaalsContact O-N 3.16Å; I210-R212 VanDerWaalsContact C-N 3.3Å; I210-R212 PolarHBondContact O-N 3.23Å; R212-D214 PolarHBondContact O-N 3.4Å; R212-Q215 PolarHBondContact O-N 3.02Å; R212-G216 PolarHBondContact O-N 3.49Å
213M98.8Very high98.8Very high9 Ų911 Ų114%0.0446%0.06CC..Hα-helixtrans-60.1-44.3176.7-179.1-159.970.100111.5L17 F144 D146 T209 I210 Q215 G216 I217 Y237L17-M213 HydrophobicContact CD1-CE 4.03Å; F144-M213 HydrophobicContact CB-CG 4.33Å; F144-M213 HydrophobicContact CD2-CG 4.32Å; F144-M213 HydrophobicContact CG-CG 4.18Å; D146-M213 HydrophobicContact CB-CB 4Å; T209-M213 PolarHBondContact O-N 2.8Å; T209-M213 VanDerWaalsContact O-N 3.08Å; I210-M213 HydrophobicContact CG2-CE 4.23Å; I210-M213 WeakPolarHBondContact O-CB 3.32Å; I210-M213 PolarHBondContact O-N 3.41Å; I210-M213 VanDerWaalsContact O-N 3.16Å; M213-Q215 PolarHBondContact O-N 3.19Å; M213-G216 CarbonylContact O-C 3.58Å; M213-G216 WeakPolarHBondContact O-CA 3.39Å; M213-G216 PolarHBondContact O-N 3.25Å; M213-G216 VanDerWaalsContact O-N 3.08Å; M213-I217 HydrophobicContact CE-CD1 4.22Å; M213-I217 HydrophobicContact CG-CD1 4.28Å; M213-I217 WeakPolarHBondContact O-CG1 3.37Å; M213-I217 PolarHBondContact O-N 3.49Å; M213-Y237 HydrophobicContact CE-CE2 4.24Å; M213-Y237 WeakPolarHBondContact CE-OH 3.47Å
214D98.9Very high98.7Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-56.9-48.2176.1177.981.2000111.9T14 P15 N16 L17 I210 R212 G216 I217 G218T14-D214 VanDerWaalsContact CA-CG 3.5Å; T14-D214 WeakPolarHBondContact CA-OD1 3.1Å; T14-D214 WeakPolarHBondContact CB-OD1 3.23Å; T14-D214 HydrophobicContact CG2-CB 4.35Å; P15-D214 VanDerWaalsContact CD-OD2 3.28Å; P15-D214 WeakPolarHBondContact CD-OD2 3.28Å; N16-D214 VanDerWaalsContact CB-O 3.3Å; N16-D214 WeakPolarHBondContact CB-O 3.48Å; N16-D214 WeakPolarHBondContact CB-OD2 3.49Å; N16-D214 PolarHBondContact N-OD1 3.25Å; N16-D214 PolarHBondContact N-OD2 3.2Å; N16-D214 PolarHBondContact ND2-O 3.41Å; N16-D214 PolarHBondContact ND2-OD2 3.44Å; L17-D214 WeakPolarHBondContact CB-OD1 3.43Å; L17-D214 PolarHBondContact N-OD1 3.32Å; I210-D214 PolarHBondContact O-N 2.92Å; R212-D214 PolarHBondContact O-N 3.4Å; D214-G216 VanDerWaalsContact C-N 3.28Å; D214-G216 PolarHBondContact O-N 3.35Å; D214-I217 WeakPolarHBondContact O-CB 3.44Å; D214-I217 PolarHBondContact O-N 3.35Å; D214-I217 VanDerWaalsContact O-N 3.15Å; D214-G218 PolarHBondContact O-N 3.16Å
215Q98.9Very high98.6Very high27 Ų2717.2 Ų17.213%0.1269%0.087CC..Hα-helixtrans-61.7-38.3174.8-70.2174.650.600111.7I119 K178 G211 R212 M213 I217 G218 L219I119-Q215 HydrophobicContact CD1-CB 3.74Å; K178-Q215 PolarHBondContact O-NE2 3.36Å; G211-Q215 WeakPolarHBondContact O-CG 3.47Å; G211-Q215 PolarHBondContact O-N 2.96Å; G211-Q215 VanDerWaalsContact O-N 3.12Å; G211-Q215 PolarHBondContact O-NE2 2.86Å; R212-Q215 PolarHBondContact O-N 3.02Å; M213-Q215 PolarHBondContact O-N 3.19Å; Q215-I217 PolarHBondContact O-N 2.99Å; Q215-G218 PolarHBondContact O-N 3.33Å; Q215-L219 WeakPolarHBondContact O-CG 3.21Å; Q215-L219 PolarHBondContact O-N 2.87Å
216G98.9Very high98.6Very high1 Ų123.8 Ų23.81%0.0111%0.11CC..Hα-helixtrans-58.7-43.6172.600000113.1R212 M213 D214 G218 L219 V220R212-G216 PolarHBondContact O-N 3.49Å; M213-G216 CarbonylContact O-C 3.58Å; M213-G216 WeakPolarHBondContact O-CA 3.39Å; M213-G216 PolarHBondContact O-N 3.25Å; M213-G216 VanDerWaalsContact O-N 3.08Å; D214-G216 VanDerWaalsContact C-N 3.28Å; D214-G216 PolarHBondContact O-N 3.35Å; G216-G218 VanDerWaalsContact C-N 3.34Å; G216-G218 PolarHBondContact O-N 2.99Å; G216-L219 PolarHBondContact O-N 3.46Å; G216-V220 WeakPolarHBondContact O-CG2 3.07Å; G216-V220 PolarHBondContact O-N 3.11Å
217I98.8Very high98.5Very high12 Ų1225.7 Ų25.76%0.06213%0.126CC..Hα-helixtrans-60.3-45.4175-68.1164.1000110.3L17 F144 M213 D214 Q215 L219 V220 L221 Y237L17-I217 HydrophobicContact CD1-CD1 4.26Å; L17-I217 HydrophobicContact CD2-CD1 3.66Å; L17-I217 HydrophobicContact CG-CD1 3.89Å; F144-I217 HydrophobicContact CE2-CG1 3.79Å; F144-I217 HydrophobicContact CZ-CG1 4.17Å; M213-I217 HydrophobicContact CE-CD1 4.22Å; M213-I217 HydrophobicContact CG-CD1 4.28Å; M213-I217 WeakPolarHBondContact O-CG1 3.37Å; M213-I217 PolarHBondContact O-N 3.49Å; D214-I217 WeakPolarHBondContact O-CB 3.44Å; D214-I217 PolarHBondContact O-N 3.35Å; D214-I217 VanDerWaalsContact O-N 3.15Å; Q215-I217 PolarHBondContact O-N 2.99Å; I217-L219 PolarHBondContact O-N 2.57Å; I217-V220 PolarHBondContact O-N 3.03Å; I217-L221 HydrophobicContact CG2-CD1 4Å; I217-L221 HydrophobicContact CG2-CG 4.47Å; I217-L221 WeakPolarHBondContact O-CG 3.21Å; I217-L221 PolarHBondContact O-N 3.22Å; I217-Y237 HydrophobicContact CD1-CD2 3.8Å; I217-Y237 HydrophobicContact CD1-CE2 3.63Å
218G98.8Very high98.4Very high5 Ų528.3 Ų28.35%0.05215%0.154CC..Hα-helixtrans-54.4-49.4174.100000112.6N16 D214 Q215 G216 V220 L221 E222N16-G218 WeakPolarHBondContact OD1-CA 3.5Å; D214-G218 PolarHBondContact O-N 3.16Å; Q215-G218 PolarHBondContact O-N 3.33Å; G216-G218 VanDerWaalsContact C-N 3.34Å; G216-G218 PolarHBondContact O-N 2.99Å; G218-V220 PolarHBondContact O-N 2.86Å; G218-L221 PolarHBondContact O-N 3.49Å; G218-E222 WeakPolarHBondContact O-CG 3.15Å; G218-E222 PolarHBondContact O-N 3.02Å
219L98.9Very high98.3Very high19 Ų1931.6 Ų31.610%0.09917%0.167CC..Hα-helixtrans-63.3-39.3179-64.5173000112.9I119 K123 D176 Q215 G216 I217 E222 E223I119-L219 HydrophobicContact CB-CD1 4.16Å; I119-L219 HydrophobicContact CD1-CD1 3.91Å; I119-L219 HydrophobicContact CG1-CD1 4.02Å; K123-L219 HydrophobicContact CB-CB 4.15Å; K123-L219 HydrophobicContact CB-CD1 4.39Å; K123-L219 HydrophobicContact CD-CB 4.29Å; K123-L219 HydrophobicContact CD-CD1 4.33Å; K123-L219 HydrophobicContact CD-CD2 4Å; K123-L219 HydrophobicContact CD-CG 4.43Å; K123-L219 HydrophobicContact CG-CB 4.16Å; D176-L219 HydrophobicContact CB-CD1 3.54Å; D176-L219 HydrophobicContact CB-CD2 4.34Å; Q215-L219 WeakPolarHBondContact O-CG 3.21Å; Q215-L219 PolarHBondContact O-N 2.87Å; G216-L219 PolarHBondContact O-N 3.46Å; I217-L219 PolarHBondContact O-N 2.57Å; L219-E222 PolarHBondContact O-N 2.84Å; L219-E223 WeakPolarHBondContact O-CG 3.23Å; L219-E223 PolarHBondContact O-N 3.03Å
220V98.9Very high98Very high18 Ų1833.5 Ų33.511%0.10918%0.176CC..Hα-helixtrans-62.1-49.3176.3172.40000110.1I122 V126 V142 F144 G216 I217 G218 E222 E223 L224I122-V220 HydrophobicContact CG2-CG2 4.1Å; V126-V220 HydrophobicContact CG1-CG1 4.48Å; V126-V220 HydrophobicContact CG2-CG1 4.39Å; V126-V220 HydrophobicContact CG2-CG2 4.11Å; V142-V220 HydrophobicContact CG1-CG2 4.31Å; V142-V220 HydrophobicContact CG2-CG1 4.31Å; F144-V220 HydrophobicContact CZ-CG2 4.11Å; G216-V220 WeakPolarHBondContact O-CG2 3.07Å; G216-V220 PolarHBondContact O-N 3.11Å; I217-V220 PolarHBondContact O-N 3.03Å; G218-V220 PolarHBondContact O-N 2.86Å; V220-E222 VanDerWaalsContact C-N 3.32Å; V220-E222 PolarHBondContact O-N 2.71Å; V220-E223 PolarHBondContact O-N 3.11Å; V220-E223 VanDerWaalsContact O-N 3.15Å; V220-L224 HydrophobicContact CG1-CD1 3.95Å; V220-L224 WeakPolarHBondContact O-CD1 3.29Å; V220-L224 PolarHBondContact O-N 3.21Å; V220-L224 VanDerWaalsContact O-N 3.12Å
221L98.7Very high97.8Very high31 Ų3139.5 Ų39.516%0.16221%0.208CC..Hα-helixtrans-62.6-37.7178.8-67.5174.6000112.2L20 I217 G218 L224 Q225 V235L20-L221 HydrophobicContact CB-CD1 4.48Å; L20-L221 HydrophobicContact CD1-CD1 4.24Å; I217-L221 HydrophobicContact CG2-CD1 4Å; I217-L221 HydrophobicContact CG2-CG 4.47Å; I217-L221 WeakPolarHBondContact O-CG 3.21Å; I217-L221 PolarHBondContact O-N 3.22Å; G218-L221 PolarHBondContact O-N 3.49Å; L221-L224 PolarHBondContact O-N 3.33Å; L221-Q225 PolarHBondContact O-N 3.23Å; L221-V235 HydrophobicContact CD2-CG1 4.05Å; L221-V235 HydrophobicContact CD2-CG2 4.08Å
222E98.7Very high97.8Very high76 Ų7642.8 Ų42.836%0.35523%0.232SC..Hα-helixtrans-61.7-40.8173-78.8-177.5-163.500112.4G218 L219 V220 Q225 R226G218-E222 WeakPolarHBondContact O-CG 3.15Å; G218-E222 PolarHBondContact O-N 3.02Å; L219-E222 PolarHBondContact O-N 2.84Å; V220-E222 VanDerWaalsContact C-N 3.32Å; V220-E222 PolarHBondContact O-N 2.71Å; E222-Q225 PolarHBondContact O-N 2.91Å; E222-R226 WeakPolarHBondContact O-CB 3.48Å; E222-R226 VanDerWaalsContact O-CG 3.3Å; E222-R226 WeakPolarHBondContact O-CG 3.48Å; E222-R226 PolarHBondContact O-N 3.12Å; E222-R226 IonicContact OE2-CZ 2.84Å; E222-R226 IonicContact OE2-NH1 3.7Å; E222-R226 IonicContact OE2-NH2 3.71Å; E222-R226 PolarHBondContact OE2-NH2 3.1Å
223E98.6Very high97.7Very high5 Ų543.8 Ų43.82%0.02324%0.238CC..Hα-helixtrans-67.5-36.8177.2-67.6-58.6138.200111.8K123 V126 R127 L130 L219 V220 Q225 R226 A227K123-E223 HydrophobicContact CG-CG 3.7Å; V126-E223 HydrophobicContact CB-CB 4.5Å; V126-E223 HydrophobicContact CG1-CB 3.79Å; R127-E223 HydrophobicContact CB-CG 4.5Å; R127-E223 VanDerWaalsContact CB-OE2 3.28Å; R127-E223 WeakPolarHBondContact CB-OE2 3.5Å; R127-E223 WeakPolarHBondContact CG-OE2 3.21Å; R127-E223 IonicContact CZ-OE1 3.77Å; R127-E223 IonicContact CZ-OE2 3.66Å; R127-E223 IonicContact NE-OE1 3.7Å; R127-E223 IonicContact NE-OE2 3.96Å; R127-E223 PolarHBondContact NE-OE2 2.93Å; R127-E223 IonicContact NH2-OE1 2.64Å; R127-E223 PolarHBondContact NH2-OE1 2.98Å; R127-E223 IonicContact NH2-OE2 3.2Å; L130-E223 HydrophobicContact CD1-CB 4.3Å; L130-E223 WeakPolarHBondContact CD1-O 3.27Å; L219-E223 WeakPolarHBondContact O-CG 3.23Å; L219-E223 PolarHBondContact O-N 3.03Å; V220-E223 PolarHBondContact O-N 3.11Å; V220-E223 VanDerWaalsContact O-N 3.15Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.08Å; E223-R226 PolarHBondContact O-N 2.66Å; E223-R226 IonicContact OE1-CZ 2.86Å; E223-R226 IonicContact OE1-NH1 3.9Å; E223-R226 PolarHBondContact OE1-NH1 2.89Å; E223-A227 WeakPolarHBondContact O-CB 3.48Å; E223-A227 PolarHBondContact O-N 3.48Å
224L97.5Very high97.7Very high12 Ų1244.5 Ų44.56%0.06324%0.241CC..Hα-helixtrans-60.9-42.1170.5-86.679.7000111.5V126 L130 V220 L221 A227 G228 F229 H230 T233V126-L224 HydrophobicContact CG1-CD1 4.29Å; L130-L224 HydrophobicContact CD1-CD1 4.24Å; L130-L224 HydrophobicContact CD1-CG 4.31Å; V220-L224 HydrophobicContact CG1-CD1 3.95Å; V220-L224 WeakPolarHBondContact O-CD1 3.29Å; V220-L224 PolarHBondContact O-N 3.21Å; V220-L224 VanDerWaalsContact O-N 3.12Å; L221-L224 PolarHBondContact O-N 3.33Å; L224-A227 PolarHBondContact O-N 2.77Å; L224-G228 PolarHBondContact O-N 3.09Å; L224-F229 PolarHBondContact O-N 2.75Å; L224-H230 PolarHBondContact O-N 3.33Å; L224-T233 HydrophobicContact CD2-CG2 3.73Å
225Q97.4Very high97.8Very high125 Ų12546 Ų4658%0.58425%0.25SS*.Hα-helixtrans-66.5-45.5177.5-172.9-1801.600112.1L221 E222 E223 A227 G228 H230L221-Q225 PolarHBondContact O-N 3.23Å; E222-Q225 PolarHBondContact O-N 2.91Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.08Å; Q225-A227 VanDerWaalsContact C-N 3.26Å; Q225-A227 PolarHBondContact O-N 3.21Å; Q225-G228 PolarHBondContact O-N 3.01Å; Q225-H230 HydrophobicContact CB-CB 4.03Å; Q225-H230 HydrophobicContact CG-CB 4.4Å
226R97.6Very high97.8Very high150 Ų15047 Ų4757%0.56626%0.256SS*.Hα-helixtrans-60.6-36.1177.1-75.6176.1-177.4133.416.7112.2E222 E223 G228E222-R226 WeakPolarHBondContact O-CB 3.48Å; E222-R226 VanDerWaalsContact O-CG 3.3Å; E222-R226 WeakPolarHBondContact O-CG 3.48Å; E222-R226 PolarHBondContact O-N 3.12Å; E222-R226 IonicContact OE2-CZ 2.84Å; E222-R226 IonicContact OE2-NH1 3.7Å; E222-R226 IonicContact OE2-NH2 3.71Å; E222-R226 PolarHBondContact OE2-NH2 3.1Å; E223-R226 PolarHBondContact O-N 2.66Å; E223-R226 IonicContact OE1-CZ 2.86Å; E223-R226 IonicContact OE1-NH1 3.9Å; E223-R226 PolarHBondContact OE1-NH1 2.89Å; R226-G228 VanDerWaalsContact C-N 3.28Å
227A97Very high97.8Very high40 Ų4048.1 Ų48.133%0.33126%0.26SS..THydrogen-bonded Turntrans-80.4-6.1176.600000113.7L130 E223 L224 Q225 F229L130-A227 HydrophobicContact CB-CB 3.92Å; L130-A227 HydrophobicContact CD1-CB 3.92Å; L130-A227 HydrophobicContact CG-CB 4.46Å; E223-A227 WeakPolarHBondContact O-CB 3.48Å; E223-A227 PolarHBondContact O-N 3.48Å; L224-A227 PolarHBondContact O-N 2.77Å; Q225-A227 VanDerWaalsContact C-N 3.26Å; Q225-A227 PolarHBondContact O-N 3.21Å; A227-F229 HydrophobicContact CB-CD2 3.62Å; A227-F229 HydrophobicContact CB-CE2 3.97Å
228G96.5Very high97.8Very high58 Ų5849.3 Ų49.360%0.59827%0.268SS*.THydrogen-bonded Turntrans82.25.6179.100000115.4L224 Q225 R226L224-G228 PolarHBondContact O-N 3.09Å; Q225-G228 PolarHBondContact O-N 3.01Å; R226-G228 VanDerWaalsContact C-N 3.28Å
229F96.4Very high97.8Very high73 Ų7350.4 Ų50.432%0.3228%0.275SS..  trans-89.9-7.8-177.6-65.3-63.4000114.3L130 F138 L224 A227 N231 S232 T233L130-F229 HydrophobicContact CB-CE2 4.49Å; L130-F229 HydrophobicContact CD2-CD2 3.9Å; L130-F229 HydrophobicContact CD2-CE2 4.28Å; F138-F229 HydrophobicContact CE1-CB 4.1Å; F138-F229 AromaticContact CE1-CD1 3.94Å; F138-F229 HydrophobicContact CE1-CD1 3.94Å; F138-F229 HydrophobicContact CE1-CD2 4.06Å; F138-F229 HydrophobicContact CE1-CE1 4.37Å; F138-F229 HydrophobicContact CE1-CE2 4.48Å; F138-F229 AromaticContact CE1-CG 3.77Å; F138-F229 HydrophobicContact CE1-CG 3.77Å; F138-F229 HydrophobicContact CZ-CB 4.12Å; F138-F229 HydrophobicContact CZ-CG 4.26Å; L224-F229 PolarHBondContact O-N 2.75Å; A227-F229 HydrophobicContact CB-CD2 3.62Å; A227-F229 HydrophobicContact CB-CE2 3.97Å; F229-N231 PolarHBondContact O-N 3.45Å; F229-N231 VanDerWaalsContact O-N 3.11Å; F229-S232 CarbonylContact O-C 3.49Å; F229-S232 PolarHBondContact O-N 2.8Å; F229-S232 PolarHBondContact O-OG 3.44Å; F229-S232 VanDerWaalsContact O-OG 3.11Å; F229-T233 PolarHBondContact O-N 2.98Å; F229-T233 PolarHBondContact O-OG1 2.83Å
230H93.3Very high97.7Very high41 Ų4150.7 Ų50.719%0.1928%0.277CS..THydrogen-bonded Turntrans-55-32.9-175.1173.3-88000115.3R23 L224 Q225R23-H230 PolarHBondContact NH1-CE1 2.95Å; R23-H230 PolarHBondContact NH1-NE2 3.41Å; R23-H230 PolarHBondContact NH2-CE1 2.8Å; R23-H230 PolarHBondContact NH2-NE2 3.28Å; L224-H230 PolarHBondContact O-N 3.33Å; Q225-H230 HydrophobicContact CB-CB 4.03Å; Q225-H230 HydrophobicContact CG-CB 4.4Å
231N94.6Very high97.7Very high127 Ų12750.5 Ų50.568%0.67928%0.275SS*.THydrogen-bonded Turntrans-95.28.9179.6-67.4-11.3000113.2F229 P266F229-N231 PolarHBondContact O-N 3.45Å; F229-N231 VanDerWaalsContact O-N 3.11Å; N231-P266 VanDerWaalsContact O-CB 3.3Å; N231-P266 WeakPolarHBondContact O-CB 3.49Å
232S96.8Very high97.7Very high70 Ų7049.2 Ų49.249%0.4927%0.27SS..SBendtrans-133.621.1179.966.30000111.8F229F229-S232 CarbonylContact O-C 3.49Å; F229-S232 PolarHBondContact O-N 2.8Å; F229-S232 PolarHBondContact O-OG 3.44Å; F229-S232 VanDerWaalsContact O-OG 3.11Å
233T98.6Very high97.7Very high21 Ų2146.4 Ų46.413%0.12926%0.257CS..  trans-129.8123.5-178-60.20000110.6F138 L224 F229 V235 P266F138-T233 HydrophobicContact CE2-CG2 4.44Å; F138-T233 HydrophobicContact CZ-CG2 4.46Å; L224-T233 HydrophobicContact CD2-CG2 3.73Å; F229-T233 PolarHBondContact O-N 2.98Å; F229-T233 PolarHBondContact O-OG1 2.83Å; T233-V235 HydrophobicContact CG2-CG2 4.32Å; T233-V235 PolarHBondContact O-N 2.93Å; T233-P266 WeakPolarHBondContact O-CD 3.06Å
234L98.9Very high97.7Very high23 Ų2346.8 Ų46.812%0.1226%0.259CS..  trans-67.6122.1163177.868.6000109.1I236 I263 W292 L316L234-I236 HydrophobicContact CD2-CD1 4.12Å; L234-I236 HydrophobicContact CD2-CG1 4.4Å; L234-I236 HydrophobicContact CG-CD1 4.47Å; L234-I236 HydrophobicContact CG-CG1 4.2Å; L234-I263 HydrophobicContact CD1-CG2 3.79Å; L234-W292 HydrophobicContact CB-CD2 3.77Å; L234-W292 HydrophobicContact CB-CE3 4.24Å; L234-W292 HydrophobicContact CB-CG 4.16Å; L234-W292 HydrophobicContact CB-CH2 4.45Å; L234-W292 HydrophobicContact CB-CZ2 4Å; L234-W292 HydrophobicContact CD2-CB 3.92Å; L234-W292 HydrophobicContact CD2-CD2 3.89Å; L234-W292 HydrophobicContact CD2-CE3 4.18Å; L234-W292 HydrophobicContact CD2-CG 3.76Å; L234-W292 HydrophobicContact CG-CD2 4.36Å; L234-L316 HydrophobicContact CD1-CD2 4.45Å; L234-L316 HydrophobicContact CD2-CD2 4.28Å
235V98.9Very high97.7Very high31 Ų3146.3 Ų46.319%0.18826%0.257CS..EExtended strand (participates in β ladder)trans-107.6126176.1-178.50000109.4L20 L221 T233 S264L20-V235 HydrophobicContact CD1-CB 4.46Å; L20-V235 HydrophobicContact CD1-CG1 4Å; L20-V235 HydrophobicContact CD2-CG1 4.32Å; L221-V235 HydrophobicContact CD2-CG1 4.05Å; L221-V235 HydrophobicContact CD2-CG2 4.08Å; T233-V235 HydrophobicContact CG2-CG2 4.32Å; T233-V235 PolarHBondContact O-N 2.93Å; V235-S264 PolarHBondContact N-O 3.28Å; V235-S264 PolarHBondContact O-N 2.94Å
236I98.9Very high97.8Very high48 Ų4840.4 Ų40.425%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-120.8128.8175-54.6178.8000108.2L234 L261 L262 I263 L285 I289L234-I236 HydrophobicContact CD2-CD1 4.12Å; L234-I236 HydrophobicContact CD2-CG1 4.4Å; L234-I236 HydrophobicContact CG-CD1 4.47Å; L234-I236 HydrophobicContact CG-CG1 4.2Å; I236-L261 HydrophobicContact CG2-CD1 3.88Å; I236-L262 WeakPolarHBondContact CA-O 3.5Å; I236-I263 HydrophobicContact CG1-CG1 4.48Å; I236-I263 HydrophobicContact CG1-CG2 4.39Å; I236-I263 HydrophobicContact CG2-CG1 4.39Å; I236-L285 HydrophobicContact CD1-CD2 4.48Å; I236-L285 HydrophobicContact CG2-CD2 4.08Å; I236-I289 HydrophobicContact CD1-CD1 4.34Å; I236-I289 HydrophobicContact CD1-CG1 4.03Å
237Y98.9Very high97.8Very high25 Ų2533.4 Ų33.410%0.09820%0.203CC..EExtended strand (participates in β ladder)trans-118.3132.7170.3164.5-95.9000109.9L17 M213 I217 P260 L261 L262L17-Y237 HydrophobicContact CD1-CE1 4.34Å; L17-Y237 HydrophobicContact CD2-CD1 3.66Å; L17-Y237 HydrophobicContact CD2-CD2 3.92Å; L17-Y237 HydrophobicContact CD2-CE1 3.56Å; L17-Y237 HydrophobicContact CD2-CE2 3.85Å; L17-Y237 HydrophobicContact CD2-CG 3.83Å; M213-Y237 HydrophobicContact CE-CE2 4.24Å; M213-Y237 WeakPolarHBondContact CE-OH 3.47Å; I217-Y237 HydrophobicContact CD1-CD2 3.8Å; I217-Y237 HydrophobicContact CD1-CE2 3.63Å; Y237-P260 HydrophobicContact CE1-CB 3.83Å; Y237-P260 HydrophobicContact CE1-CG 3.88Å; Y237-L261 WeakPolarHBondContact O-CA 3.33Å; Y237-L262 HydrophobicContact CD1-CD1 4.07Å; Y237-L262 HydrophobicContact CD1-CD2 4.4Å; Y237-L262 PolarHBondContact N-O 3.24Å; Y237-L262 PolarHBondContact O-N 3.46Å
238T98.9Very high97.9Very high37 Ų3731.5 Ų31.523%0.22719%0.188CC..EExtended strand (participates in β ladder)trans-156.7-177.2174.5-164.50000111.4P260 L285T238-P260 WeakPolarHBondContact CA-O 3.49Å; T238-P260 VanDerWaalsContact CB-O 3.32Å; T238-P260 WeakPolarHBondContact CB-O 3.19Å; T238-P260 PolarHBondContact OG1-O 2.86Å; T238-L285 HydrophobicContact CG2-CD1 3.94Å
239S98.8Very high98Very high28 Ų2829.1 Ų29.120%0.19616%0.161CC..  trans-126.9154.5176.2163.70000109.4N241 E259 L282S239-N241 PolarHBondContact OG-O 3.42Å; S239-E259 WeakPolarHBondContact CB-OE2 3.42Å; S239-E259 PolarHBondContact OG-OE2 2.79Å; S239-L282 VanDerWaalsContact O-CD2 3.25Å; S239-L282 WeakPolarHBondContact O-CD2 3.44Å
240D98.6Very high98.1Very high26 Ų2625.7 Ų25.714%0.13915%0.146CC..SBendtrans-82.7-33.4-175.156.3-12.3000113.3T32 S40 R41T32-D240 WeakPolarHBondContact CB-O 3.39Å; T32-D240 PolarHBondContact OG1-O 3.01Å; S40-D240 VanDerWaalsContact CB-O 3.23Å; S40-D240 WeakPolarHBondContact CB-O 3.48Å; S40-D240 PolarHBondContact OG-O 2.86Å; R41-D240 HydrophobicContact CG-CB 4.41Å; R41-D240 IonicContact CZ-OD2 3.96Å; R41-D240 VanDerWaalsContact CZ-OD2 3.28Å; R41-D240 IonicContact NE-OD2 2.64Å; R41-D240 PolarHBondContact NE-OD2 2.97Å; R41-D240 IonicContact NH2-OD2 3.47Å; R41-D240 PolarHBondContact NH2-OD2 3.33Å
241N98.6Very high98.4Very high13 Ų1323.7 Ų23.77%0.0714%0.137CC..SBendtrans-158.3167.7176.851.7-117.2000111.8S239 E259S239-N241 PolarHBondContact OG-O 3.42Å; N241-E259 VanDerWaalsContact C-CD 3.46Å; N241-E259 WeakPolarHBondContact CA-OE1 3.33Å
242G98.1Very high98.6Very high5 Ų517.7 Ų17.75%0.05211%0.105CC..  trans-55.8163.7175.700000114.4S255 G256 E259G242-S255 WeakPolarHBondContact CA-O 3.41Å; G242-G256 PolarHBondContact N-O 3.37Å; G242-G256 VanDerWaalsContact N-O 3.12Å; G242-E259 PolarHBondContact N-OE1 2.88Å
243I98.4Very high98.6Very high17 Ų1714.5 Ų14.59%0.0878%0.082CC..  trans-64.7150.7-17463.9172.2000112.5P190 F192 F245 R249P190-I243 HydrophobicContact CG-CD1 4.26Å; F192-I243 HydrophobicContact CE2-CD1 3.72Å; F192-I243 HydrophobicContact CE2-CG1 3.81Å; F192-I243 HydrophobicContact CZ-CD1 3.73Å; F192-I243 HydrophobicContact CZ-CG1 3.94Å; I243-F245 HydrophobicContact CB-CD2 4.05Å; I243-F245 HydrophobicContact CD1-CB 4.45Å; I243-F245 HydrophobicContact CD1-CD2 3.65Å; I243-F245 HydrophobicContact CD1-CE2 4.27Å; I243-F245 HydrophobicContact CD1-CG 4.32Å; I243-F245 HydrophobicContact CG1-CB 4.34Å; I243-F245 HydrophobicContact CG1-CD2 3.82Å; I243-F245 PolarHBondContact O-N 2.9Å; I243-R249 PolarHBondContact O-N 2.86Å
244P98.4Very high98.6Very high12 Ų1217 Ų178%0.0789%0.092CC..SBendtrans-8264.7-172.934.4-36.5000112.4R149 F160R149-P244 HydrophobicContact CG-CB 4.23Å; R149-P244 HydrophobicContact CG-CG 3.76Å; R149-P244 PolarHBondContact NE-O 3.06Å; R149-P244 PolarHBondContact NH2-O 3.28Å; F160-P244 HydrophobicContact CE1-CG 3.85Å; F160-P244 HydrophobicContact CZ-CG 4.11Å
245F98.8Very high98.5Very high2 Ų216.4 Ų16.41%0.0099%0.09CC..SBendtrans-135167.3-179.1-74.2-90.6000110.5F160 F192 V193 D202 L203 I243 S247 G248 T374F160-F245 HydrophobicContact CE2-CZ 4.24Å; F160-F245 AromaticContact CZ-CE2 3.83Å; F160-F245 HydrophobicContact CZ-CE2 3.83Å; F160-F245 AromaticContact CZ-CZ 3.99Å; F160-F245 HydrophobicContact CZ-CZ 3.99Å; F192-F245 HydrophobicContact CE2-CB 4.48Å; V193-F245 HydrophobicContact CG1-CD1 3.81Å; V193-F245 HydrophobicContact CG1-CE1 4.22Å; V193-F245 HydrophobicContact CG2-CB 3.85Å; V193-F245 HydrophobicContact CG2-CD1 4.04Å; V193-F245 HydrophobicContact CG2-CG 4Å; D202-F245 HydrophobicContact CB-CE1 4.04Å; D202-F245 HydrophobicContact CB-CZ 4.2Å; L203-F245 HydrophobicContact CD2-CE1 4.28Å; L203-F245 HydrophobicContact CD2-CE2 4.11Å; L203-F245 HydrophobicContact CD2-CZ 3.8Å; L203-F245 HydrophobicContact CG-CE1 4.26Å; L203-F245 HydrophobicContact CG-CZ 4.06Å; I243-F245 HydrophobicContact CB-CD2 4.05Å; I243-F245 HydrophobicContact CD1-CB 4.45Å; I243-F245 HydrophobicContact CD1-CD2 3.65Å; I243-F245 HydrophobicContact CD1-CE2 4.27Å; I243-F245 HydrophobicContact CD1-CG 4.32Å; I243-F245 HydrophobicContact CG1-CB 4.34Å; I243-F245 HydrophobicContact CG1-CD2 3.82Å; I243-F245 PolarHBondContact O-N 2.9Å; F245-S247 PolarHBondContact O-N 3.13Å; F245-G248 WeakPolarHBondContact O-CA 3.35Å; F245-G248 PolarHBondContact O-N 3.06Å; F245-T374 HydrophobicContact CD1-CG2 4.02Å; F245-T374 HydrophobicContact CE1-CG2 4.46Å; F245-T374 WeakPolarHBondContact CE1-OG1 3.35Å
246P98.6Very high98.5Very high1 Ų115 Ų151%0.0068%0.081CC..THydrogen-bonded Turntrans-52139.3179-24.832.8000112.6F192 P194 G248 F369 T374 L378 W390F192-P246 VanDerWaalsContact CD2-O 3.28Å; F192-P246 WeakPolarHBondContact CD2-O 3.47Å; P194-P246 HydrophobicContact CG-CG 4.24Å; P246-G248 PolarHBondContact O-N 3.36Å; P246-F369 HydrophobicContact CB-CZ 4.42Å; P246-F369 HydrophobicContact CG-CZ 3.82Å; P246-T374 HydrophobicContact CG-CG2 4.2Å; P246-L378 HydrophobicContact CG-CD2 4.07Å; P246-W390 HydrophobicContact CB-CH2 4.27Å; P246-W390 HydrophobicContact CB-CZ2 3.52Å
247S98.1Very high98.5Very high3 Ų312.7 Ų12.72%0.0217%0.069CC..THydrogen-bonded Turntrans64.2-9.6-173.8-42.70000116.7F245 N251 S255F245-S247 PolarHBondContact O-N 3.13Å; S247-N251 WeakPolarHBondContact O-CB 3.49Å; S247-N251 PolarHBondContact O-ND2 3.41Å; S247-S255 PolarHBondContact O-OG 2.74Å
248G98.2Very high98.4Very high0 Ų012.5 Ų12.50%07%0.073CC..SBendtrans-80-121.9175.600000112.4F245 P246 T250 N251 S255 G256F245-G248 WeakPolarHBondContact O-CA 3.35Å; F245-G248 PolarHBondContact O-N 3.06Å; P246-G248 PolarHBondContact O-N 3.36Å; G248-T250 PolarHBondContact O-N 2.92Å; G248-N251 WeakPolarHBondContact O-CB 3.3Å; G248-N251 PolarHBondContact O-N 3.46Å; G248-N251 VanDerWaalsContact O-N 3.1Å; G248-N251 PolarHBondContact O-ND2 3.29Å; G248-N251 VanDerWaalsContact O-ND2 3.09Å; G248-S255 WeakPolarHBondContact CA-O 3.47Å; G248-G256 VanDerWaalsContact C-CA 3.5Å; G248-G256 WeakPolarHBondContact O-CA 3.37Å
249R98.8Very high98.4Very high8 Ų811.1 Ų11.13%0.036%0.064CC..THydrogen-bonded Turntrans-41.5141.1178.9-169.3176.577.3174.71.9111.8S35 H148 I243 N251 D366S35-R249 WeakPolarHBondContact OG-CA 3.31Å; H148-R249 PolarHBondContact NE2-NH1 3.45Å; I243-R249 PolarHBondContact O-N 2.86Å; R249-N251 VanDerWaalsContact C-N 3.31Å; R249-N251 PolarHBondContact O-ND2 3.04Å; R249-D366 IonicContact CZ-OD2 2.87Å; R249-D366 IonicContact NH2-OD1 2.8Å; R249-D366 IonicContact NH2-OD2 2.69Å; R249-D366 PolarHBondContact NH2-OD2 3.47Å
250T98.8Very high98.4Very high1 Ų19.8 Ų9.81%0.0066%0.055CC..THydrogen-bonded Turntrans77.7-4.6-175.476.40000115.9S35 G248 Q332 H335 M339 M343 F363S35-T250 WeakPolarHBondContact O-CA 3.4Å; S35-T250 PolarHBondContact O-N 3.46Å; S35-T250 PolarHBondContact OG-N 2.76Å; G248-T250 PolarHBondContact O-N 2.92Å; T250-Q332 PolarHBondContact O-NE2 2.93Å; T250-H335 HydrophobicContact CG2-CB 4.39Å; T250-M339 HydrophobicContact CG2-CE 4.42Å; T250-M343 VanDerWaalsContact O-CE 3.29Å; T250-M343 WeakPolarHBondContact O-CE 3.4Å; T250-F363 WeakPolarHBondContact O-CZ 3.29Å; T250-F363 WeakPolarHBondContact OG1-CZ 3.4Å
251N98.9Very high98.4Very high0 Ų08.6 Ų8.60%05%0.048CC..  trans-107.2152.5179-62.5-92000112.5S35 S247 G248 R249 Y253 G256 Y397 R400S35-N251 WeakPolarHBondContact CB-O 3.4Å; S247-N251 WeakPolarHBondContact O-CB 3.49Å; S247-N251 PolarHBondContact O-ND2 3.41Å; G248-N251 WeakPolarHBondContact O-CB 3.3Å; G248-N251 PolarHBondContact O-N 3.46Å; G248-N251 VanDerWaalsContact O-N 3.1Å; G248-N251 PolarHBondContact O-ND2 3.29Å; G248-N251 VanDerWaalsContact O-ND2 3.09Å; R249-N251 VanDerWaalsContact C-N 3.31Å; R249-N251 PolarHBondContact O-ND2 3.04Å; N251-Y253 VanDerWaalsContact C-N 3.34Å; N251-Y253 HydrophobicContact CB-CD2 3.62Å; N251-Y253 HydrophobicContact CB-CE2 4.36Å; N251-Y253 HydrophobicContact CB-CG 4.27Å; N251-G256 WeakPolarHBondContact O-CA 3.42Å; N251-Y397 PolarHBondContact ND2-OH 3.35Å; N251-R400 VanDerWaalsContact OD1-CZ 3.28Å; N251-R400 PolarHBondContact OD1-NH1 2.84Å; N251-R400 PolarHBondContact OD1-NH2 2.99Å
252L98.8Very high98.5Very high1 Ų18 Ų81%0.0055%0.045CC..  trans-94.614.6167.9-60.5-168000113.8T257 Q332 M343 A345 R352 I354L252-T257 HydrophobicContact CD2-CG2 3.78Å; L252-Q332 HydrophobicContact CD1-CB 4.5Å; L252-Q332 HydrophobicContact CD2-CB 4.29Å; L252-M343 HydrophobicContact CD1-CB 3.47Å; L252-M343 VanDerWaalsContact CD1-CB 3.47Å; L252-M343 HydrophobicContact CG-CB 3.92Å; L252-M343 HydrophobicContact CG-CE 4.29Å; L252-M343 HydrophobicContact CG-SD 4.35Å; L252-A345 HydrophobicContact CB-CB 4.04Å; L252-A345 HydrophobicContact CD1-CB 3.86Å; L252-R352 PolarHBondContact O-NH1 3.33Å; L252-I354 HydrophobicContact CB-CD1 4.49Å; L252-I354 HydrophobicContact CB-CG2 4.46Å; L252-I354 WeakPolarHBondContact O-CD1 3.26Å
253Y98.6Very high98.5Very high3 Ų37.9 Ų7.91%0.0124%0.043CC..SBendtrans-63.8165.7163.8-65.3-50.1000110.8N251 S255 G256 T257 I354 K392 E404 F406 E414N251-Y253 VanDerWaalsContact C-N 3.34Å; N251-Y253 HydrophobicContact CB-CD2 3.62Å; N251-Y253 HydrophobicContact CB-CE2 4.36Å; N251-Y253 HydrophobicContact CB-CG 4.27Å; Y253-S255 VanDerWaalsContact C-N 3.3Å; Y253-S255 PolarHBondContact O-N 3.33Å; Y253-G256 PolarHBondContact O-N 3.03Å; Y253-G256 VanDerWaalsContact O-N 3.12Å; Y253-T257 PolarHBondContact O-N 3.32Å; Y253-T257 PolarHBondContact O-OG1 2.71Å; Y253-I354 HydrophobicContact CD1-CD1 3.68Å; Y253-I354 HydrophobicContact CE1-CD1 3.99Å; Y253-K392 PolarHBondContact OH-NZ 2.57Å; Y253-E404 PolarHBondContact OH-OE1 2.92Å; Y253-E404 VanDerWaalsContact OH-OE1 3.14Å; Y253-F406 HydrophobicContact CD1-CE2 4.21Å; Y253-F406 AromaticContact CE1-CE2 3.96Å; Y253-F406 HydrophobicContact CE1-CE2 3.96Å; Y253-F406 HydrophobicContact CE1-CZ 4.13Å; Y253-E414 WeakPolarHBondContact CB-OE2 3.38Å
254H97.4Very high98.5Very high72 Ų727.2 Ų7.233%0.3334%0.04SC..Hα-helixtrans-53.7-48.9175.8-176.989000111.2F31 G256 T257 A258 E414F31-H254 AromaticContact CE1-CE1 3.91Å; F31-H254 AromaticContact CE1-ND1 3.69Å; H254-G256 PolarHBondContact O-N 3.07Å; H254-G256 VanDerWaalsContact O-N 3.11Å; H254-T257 PolarHBondContact O-N 2.97Å; H254-T257 VanDerWaalsContact O-N 3.08Å; H254-A258 WeakPolarHBondContact NE2-CB 3.38Å; H254-A258 WeakPolarHBondContact O-CB 3.29Å; H254-A258 PolarHBondContact O-N 3.42Å; H254-E414 WeakPolarHBondContact CB-OE2 3.44Å; H254-E414 PolarHBondContact N-OE1 3.16Å; H254-E414 PolarHBondContact N-OE2 3.17Å
255S97.3Very high98.5Very high12 Ų126.7 Ų6.78%0.0844%0.037CC..Hα-helixtrans-62.6-19.4-179.4510000115.3G242 S247 G248 Y253G242-S255 WeakPolarHBondContact CA-O 3.41Å; S247-S255 PolarHBondContact O-OG 2.74Å; G248-S255 WeakPolarHBondContact CA-O 3.47Å; Y253-S255 VanDerWaalsContact C-N 3.3Å; Y253-S255 PolarHBondContact O-N 3.33Å
256G98.4Very high98.5Very high0 Ų07.9 Ų7.90%05%0.045CC..Hα-helixtrans-94.3-17.4176.300000114.5S35 G242 G248 N251 Y253 H254S35-G256 VanDerWaalsContact CB-O 3.23Å; S35-G256 WeakPolarHBondContact CB-O 3.49Å; S35-G256 PolarHBondContact OG-O 3.05Å; G242-G256 PolarHBondContact N-O 3.37Å; G242-G256 VanDerWaalsContact N-O 3.12Å; G248-G256 VanDerWaalsContact C-CA 3.5Å; G248-G256 WeakPolarHBondContact O-CA 3.37Å; N251-G256 WeakPolarHBondContact O-CA 3.42Å; Y253-G256 PolarHBondContact O-N 3.03Å; Y253-G256 VanDerWaalsContact O-N 3.12Å; H254-G256 PolarHBondContact O-N 3.07Å; H254-G256 VanDerWaalsContact O-N 3.11Å
257T98.6Very high98.5Very high0 Ų014.6 Ų14.60%08%0.076CC..Hα-helixtrans-123.5-18.5-172.152.30000115F31 T32 L252 Y253 H254 R352F31-T257 CarbonylContact C-O 3.37Å; F31-T257 WeakPolarHBondContact CA-O 3.26Å; T32-T257 HydrophobicContact CG2-CG2 4.25Å; T32-T257 PolarHBondContact N-O 2.94Å; L252-T257 HydrophobicContact CD2-CG2 3.78Å; Y253-T257 PolarHBondContact O-N 3.32Å; Y253-T257 PolarHBondContact O-OG1 2.71Å; H254-T257 PolarHBondContact O-N 2.97Å; H254-T257 VanDerWaalsContact O-N 3.08Å; T257-R352 PolarHBondContact OG1-NH1 3.49Å
258A98.3Very high98.5Very high21 Ų2116.4 Ų16.417%0.1748%0.084CC..BIsolated β-bridgetrans-75.4125.217800000110.6F31 H254F31-A258 HydrophobicContact CD1-CB 4.25Å; F31-A258 HydrophobicContact CE1-CB 4.12Å; H254-A258 WeakPolarHBondContact NE2-CB 3.38Å; H254-A258 WeakPolarHBondContact O-CB 3.29Å; H254-A258 PolarHBondContact O-N 3.42Å
259E98.8Very high98.5Very high8 Ų820 Ų204%0.03711%0.106CC..  trans-123.3147.9-175.8-56-53140.700111.1A30 T32 S239 N241 G242 L282A30-E259 PolarHBondContact O-N 3.13Å; T32-E259 HydrophobicContact CG2-CG 4.19Å; S239-E259 WeakPolarHBondContact CB-OE2 3.42Å; S239-E259 PolarHBondContact OG-OE2 2.79Å; N241-E259 VanDerWaalsContact C-CD 3.46Å; N241-E259 WeakPolarHBondContact CA-OE1 3.33Å; G242-E259 PolarHBondContact N-OE1 2.88Å; E259-L282 HydrophobicContact CB-CD1 4.29Å; E259-L282 HydrophobicContact CG-CD1 4.31Å; E259-L282 HydrophobicContact CG-CD2 4.32Å
260P98.7Very high98.4Very high1 Ų122.7 Ų22.71%0.00614%0.137CC..  trans-61.4144162.832.5-39.5000110.1G1 V2 Y7 Y237 T238G1-P260 WeakPolarHBondContact O-CG 3.36Å; V2-P260 HydrophobicContact CG1-CB 4.47Å; Y7-P260 HydrophobicContact CD2-CB 4.2Å; Y7-P260 HydrophobicContact CE2-CB 3.49Å; Y7-P260 VanDerWaalsContact CE2-CB 3.49Å; Y7-P260 WeakPolarHBondContact OH-CA 3.32Å; Y237-P260 HydrophobicContact CE1-CB 3.83Å; Y237-P260 HydrophobicContact CE1-CG 3.88Å; T238-P260 WeakPolarHBondContact CA-O 3.49Å; T238-P260 VanDerWaalsContact CB-O 3.32Å; T238-P260 WeakPolarHBondContact CB-O 3.19Å; T238-P260 PolarHBondContact OG1-O 2.86Å
261L98.9Very high98.4Very high0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-148.2115.1172.5176.664.1000110.4Y7 F27 A30 I236 Y237 I263 A280 L285 L315Y7-L261 PolarHBondContact OH-N 3.2Å; Y7-L261 PolarHBondContact OH-O 3.42Å; F27-L261 HydrophobicContact CB-CB 4.1Å; F27-L261 HydrophobicContact CB-CD2 4.12Å; F27-L261 HydrophobicContact CB-CG 4.29Å; F27-L261 HydrophobicContact CD2-CD2 3.92Å; F27-L261 HydrophobicContact CD2-CG 3.97Å; F27-L261 HydrophobicContact CE2-CD2 4.49Å; F27-L261 HydrophobicContact CG-CD2 3.94Å; F27-L261 HydrophobicContact CG-CG 4.31Å; F27-L261 PolarHBondContact N-O 2.89Å; A30-L261 HydrophobicContact CB-CB 3.49Å; A30-L261 VanDerWaalsContact CB-CB 3.49Å; A30-L261 HydrophobicContact CB-CD2 3.78Å; A30-L261 HydrophobicContact CB-CG 4.29Å; I236-L261 HydrophobicContact CG2-CD1 3.88Å; Y237-L261 WeakPolarHBondContact O-CA 3.33Å; L261-I263 HydrophobicContact CD1-CD1 4.39Å; L261-I263 HydrophobicContact CD1-CG1 4.1Å; L261-I263 HydrophobicContact CD2-CD1 4.5Å; L261-I263 HydrophobicContact CG-CD1 4.49Å; L261-I263 HydrophobicContact CG-CG1 4.3Å; L261-A280 HydrophobicContact CD2-CB 3.92Å; L261-L285 HydrophobicContact CD1-CD2 4.14Å; L261-L315 HydrophobicContact CD2-CD1 3.88Å
262L98.9Very high98.4Very high2 Ų227.6 Ų27.61%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-118.3131.4175-77.759.6000108.3Y7 L20 A21 V26 I236 Y237Y7-L262 HydrophobicContact CE2-CD1 3.7Å; L20-L262 HydrophobicContact CB-CD2 4.36Å; L20-L262 HydrophobicContact CD2-CD2 4.21Å; L20-L262 HydrophobicContact CG-CD2 4.1Å; A21-L262 HydrophobicContact CB-CD2 3.88Å; V26-L262 HydrophobicContact CG1-CD1 4.29Å; V26-L262 HydrophobicContact CG2-CG 4.28Å; I236-L262 WeakPolarHBondContact CA-O 3.5Å; Y237-L262 HydrophobicContact CD1-CD1 4.07Å; Y237-L262 HydrophobicContact CD1-CD2 4.4Å; Y237-L262 PolarHBondContact N-O 3.24Å; Y237-L262 PolarHBondContact O-N 3.46Å
263I98.9Very high98.4Very high1 Ų129.8 Ų29.81%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-125.8116.3175.6-54.9-176.8000109.6S24 V25 F27 L234 I236 L261 L315 L319S24-I263 CarbonylContact C-O 3.57Å; S24-I263 WeakPolarHBondContact CA-O 3.38Å; S24-I263 WeakPolarHBondContact CB-O 3.33Å; V25-I263 PolarHBondContact N-O 3.03Å; V25-I263 PolarHBondContact O-N 3.4Å; V25-I263 VanDerWaalsContact O-N 3.08Å; F27-I263 HydrophobicContact CD2-CD1 4.47Å; F27-I263 HydrophobicContact CE2-CD1 3.74Å; F27-I263 HydrophobicContact CE2-CG1 4.07Å; F27-I263 HydrophobicContact CZ-CD1 4.31Å; L234-I263 HydrophobicContact CD1-CG2 3.79Å; I236-I263 HydrophobicContact CG1-CG1 4.48Å; I236-I263 HydrophobicContact CG1-CG2 4.39Å; I236-I263 HydrophobicContact CG2-CG1 4.39Å; L261-I263 HydrophobicContact CD1-CD1 4.39Å; L261-I263 HydrophobicContact CD1-CG1 4.1Å; L261-I263 HydrophobicContact CD2-CD1 4.5Å; L261-I263 HydrophobicContact CG-CD1 4.49Å; L261-I263 HydrophobicContact CG-CG1 4.3Å; I263-L315 HydrophobicContact CD1-CB 3.77Å; I263-L315 HydrophobicContact CD1-CD1 3.6Å; I263-L315 HydrophobicContact CD1-CG 4.34Å; I263-L319 HydrophobicContact CB-CD2 3.9Å; I263-L319 HydrophobicContact CG2-CD1 3.78Å; I263-L319 HydrophobicContact CG2-CD2 3.76Å; I263-L319 HydrophobicContact CG2-CG 4.35Å
264S98.8Very high98.4Very high4 Ų433.6 Ų33.63%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-112.7102.1178.6-172.90000109.9R23 S24 V235R23-S264 WeakPolarHBondContact O-CA 3.27Å; R23-S264 WeakPolarHBondContact O-CB 3.19Å; R23-S264 PolarHBondContact O-OG 3.36Å; S24-S264 WeakPolarHBondContact OG-CB 3.43Å; V235-S264 PolarHBondContact N-O 3.28Å; V235-S264 PolarHBondContact O-N 2.94Å
265S98.7Very high98.5Very high1 Ų133.5 Ų33.51%0.00720%0.2CC..  trans-93.8132.1169172.70000110E267 H268 W272S265-E267 PolarHBondContact O-N 2.83Å; S265-E267 PolarHBondContact OG-N 2.72Å; S265-H268 PolarHBondContact OG-N 3.23Å; S265-H268 VanDerWaalsContact OG-N 3.15Å; S265-H268 PolarHBondContact OG-ND1 3.41Å; S265-H268 VanDerWaalsContact OG-ND1 3.15Å; S265-W272 VanDerWaalsContact O-CZ2 3.26Å; S265-W272 WeakPolarHBondContact O-CZ2 3.07Å; S265-W272 PolarHBondContact O-NE1 3.02Å
266P98Very high98.5Very high27 Ų2733 Ų3318%0.17520%0.196CC..SBendtrans-70.9-18.9170.830.5-34.1000112.9N231 T233 W292N231-P266 VanDerWaalsContact O-CB 3.3Å; N231-P266 WeakPolarHBondContact O-CB 3.49Å; T233-P266 WeakPolarHBondContact O-CD 3.06Å; P266-W292 HydrophobicContact CG-CH2 4.29Å
267E98.2Very high98.5Very high142 Ų14238.1 Ų38.166%0.66422%0.22SC*.SBendtrans-92.5-24.3-178.9-64.5-179.3-159.900112.8S265 W292S265-E267 PolarHBondContact O-N 2.83Å; S265-E267 PolarHBondContact OG-N 2.72Å; E267-W292 HydrophobicContact CB-CH2 4.33Å; E267-W292 HydrophobicContact CG-CH2 3.95Å
268H98.1Very high98.5Very high41 Ų4138.2 Ų38.219%0.1922%0.221CC..  trans-117.480.1-177.4-50.5108.6000110.6S265 W272 L319 E320S265-H268 PolarHBondContact OG-N 3.23Å; S265-H268 VanDerWaalsContact OG-N 3.15Å; S265-H268 PolarHBondContact OG-ND1 3.41Å; S265-H268 VanDerWaalsContact OG-ND1 3.15Å; H268-W272 PolarHBondContact O-NE1 2.81Å; H268-L319 HydrophobicContact CB-CB 3.71Å; H268-L319 HydrophobicContact CB-CD1 4.38Å; H268-E320 IonicContact CD2-OE1 3.44Å; H268-E320 PolarHBondContact CD2-OE1 3.22Å; H268-E320 VanDerWaalsContact CD2-OE1 3.29Å; H268-E320 IonicContact NE2-OE1 3.96Å
269T98.1Very high98.5Very high74 Ų7438.2 Ų38.245%0.45422%0.217SC..  trans-94.9-8.5-174.470.50000114.2R271 W272T269-R271 PolarHBondContact O-N 3.43Å; T269-R271 VanDerWaalsContact O-N 3.14Å; T269-W272 HydrophobicContact CG2-CD2 4.09Å; T269-W272 HydrophobicContact CG2-CE3 4.28Å; T269-W272 HydrophobicContact CG2-CH2 3.69Å; T269-W272 HydrophobicContact CG2-CZ2 3.48Å; T269-W272 VanDerWaalsContact CG2-CZ2 3.48Å; T269-W272 HydrophobicContact CG2-CZ3 4.09Å; T269-W272 PolarHBondContact O-N 2.86Å; T269-W272 VanDerWaalsContact O-N 3.17Å
270G98.2Very high98.5Very high66 Ų6637.9 Ų37.968%0.6822%0.215SC*.THydrogen-bonded Turntrans-61.5-24.4-172.400000114.8Q274G270-Q274 PolarHBondContact O-NE2 2.7Å
271R98.5Very high98.5Very high24 Ų2438.3 Ų38.39%0.09122%0.218CC..THydrogen-bonded Turntrans-114.113.8178.6-64.617950.794.31.3114.4V25 T269 G273 Q274 A318 L319 E320 E322V25-R271 HydrophobicContact CG2-CB 3.64Å; T269-R271 PolarHBondContact O-N 3.43Å; T269-R271 VanDerWaalsContact O-N 3.14Å; R271-G273 PolarHBondContact O-N 3.42Å; R271-Q274 HydrophobicContact CB-CB 4.4Å; R271-Q274 HydrophobicContact CB-CG 4.39Å; R271-Q274 VanDerWaalsContact O-CB 3.26Å; R271-Q274 WeakPolarHBondContact O-CB 3.45Å; R271-Q274 WeakPolarHBondContact O-CG 3.37Å; R271-Q274 PolarHBondContact O-N 3Å; R271-A318 PolarHBondContact NE-O 3.15Å; R271-A318 VanDerWaalsContact NE-O 3.11Å; R271-L319 WeakPolarHBondContact CB-O 3.37Å; R271-L319 WeakPolarHBondContact CD-O 3.41Å; R271-L319 WeakPolarHBondContact CG-O 3.33Å; R271-E320 VanDerWaalsContact CD-O 3.25Å; R271-E320 WeakPolarHBondContact CD-O 3.3Å; R271-E322 IonicContact CZ-OE2 2.93Å; R271-E322 IonicContact NH1-OE2 3.54Å; R271-E322 IonicContact NH2-OE2 3.59Å; R271-E322 PolarHBondContact NH2-OE2 3Å
272W98.7Very high98.5Very high80 Ų8038.3 Ų38.330%0.30322%0.219SC..THydrogen-bonded Turntrans-56.2134.9174.7-78.75.3000111.8R23 S265 H268 T269 Q274R23-W272 HydrophobicContact CB-CD2 4.21Å; R23-W272 HydrophobicContact CB-CE3 4.25Å; R23-W272 HydrophobicContact CG-CE3 4.13Å; R23-W272 HydrophobicContact CG-CZ3 4.25Å; R23-W272 VanDerWaalsContact O-CD1 3.22Å; R23-W272 PolarHBondContact O-NE1 3.45Å; R23-W272 VanDerWaalsContact O-NE1 3.13Å; S265-W272 VanDerWaalsContact O-CZ2 3.26Å; S265-W272 WeakPolarHBondContact O-CZ2 3.07Å; S265-W272 PolarHBondContact O-NE1 3.02Å; H268-W272 PolarHBondContact O-NE1 2.81Å; T269-W272 HydrophobicContact CG2-CD2 4.09Å; T269-W272 HydrophobicContact CG2-CE3 4.28Å; T269-W272 HydrophobicContact CG2-CH2 3.69Å; T269-W272 HydrophobicContact CG2-CZ2 3.48Å; T269-W272 VanDerWaalsContact CG2-CZ2 3.48Å; T269-W272 HydrophobicContact CG2-CZ3 4.09Å; T269-W272 PolarHBondContact O-N 2.86Å; T269-W272 VanDerWaalsContact O-N 3.17Å; W272-Q274 PolarHBondContact O-N 3.44Å
273G98.3Very high98.5Very high46 Ų4638.4 Ų38.447%0.47422%0.219SC..THydrogen-bonded Turntrans77.20.5-177.200000114.5R22 S24 R271R22-G273 PolarHBondContact O-N 2.99Å; S24-G273 PolarHBondContact O-N 2.8Å; R271-G273 PolarHBondContact O-N 3.42Å
274Q98.7Very high98.5Very high84 Ų8438.7 Ų38.739%0.39322%0.22SC..  trans-88.7156.5175.8-58.2-175.720.900111.7V26 G270 R271 W272V26-Q274 PolarHBondContact N-O 2.82Å; G270-Q274 PolarHBondContact O-NE2 2.7Å; R271-Q274 HydrophobicContact CB-CB 4.4Å; R271-Q274 HydrophobicContact CB-CG 4.39Å; R271-Q274 VanDerWaalsContact O-CB 3.26Å; R271-Q274 WeakPolarHBondContact O-CB 3.45Å; R271-Q274 WeakPolarHBondContact O-CG 3.37Å; R271-Q274 PolarHBondContact O-N 3Å; W272-Q274 PolarHBondContact O-N 3.44Å
275V98.8Very high98.6Very high70 Ų7038.8 Ų38.842%0.42422%0.221SC..EExtended strand (participates in β ladder)trans-104126.6174.5-177.90000109.4V26 Q28V26-V275 HydrophobicContact CB-CG2 4.41Å; V26-V275 CarbonylContact O-C 3.55Å; V26-V275 VanDerWaalsContact O-CA 3.29Å; V26-V275 WeakPolarHBondContact O-CA 3.07Å; Q28-V275 HydrophobicContact CB-CG1 3.93Å
276S98.7Very high98.6Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-89.1135.3172.51780000110.6V26 Q28 A278V26-S276 PolarHBondContact O-N 3.12Å; Q28-S276 PolarHBondContact N-O 3.34Å; S276-A278 WeakPolarHBondContact OG-CB 3.37Å; S276-A278 PolarHBondContact OG-N 3.05Å
277Q98.3Very high98.6Very high109 Ų10938.3 Ų38.351%0.50922%0.218SC..EExtended strand (participates in β ladder)trans-95.9-10.5172.8-62.8-58.3-46.500112.1N29 E322N29-Q277 PolarHBondContact ND2-O 3.15Å; Q277-E322 WeakPolarHBondContact CA-OE1 3.28Å; Q277-E322 PolarHBondContact N-OE1 3.26Å
278A98.5Very high98.6Very high2 Ų231.6 Ų31.62%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-55.1138.8174.700000112S276 A280 E322 Q323 W325S276-A278 WeakPolarHBondContact OG-CB 3.37Å; S276-A278 PolarHBondContact OG-N 3.05Å; A278-A280 PolarHBondContact O-N 3.42Å; A278-E322 PolarHBondContact N-OE1 2.89Å; A278-Q323 HydrophobicContact CB-CB 4.08Å; A278-Q323 WeakPolarHBondContact CB-O 3.42Å; A278-W325 HydrophobicContact CB-CB 4.36Å; A278-W325 HydrophobicContact CB-CE3 3.96Å
279F98.6Very high98.7Very high21 Ų2130.6 Ų30.69%0.09218%0.182CC..EExtended strand (participates in β ladder)trans-77.8119.8175.8-76.8-116.2000109.9N29 F31 K313 W325 Q347 Q349N29-F279 HydrophobicContact CB-CD1 4.31Å; N29-F279 HydrophobicContact CB-CD2 4.05Å; N29-F279 HydrophobicContact CB-CE1 4.34Å; N29-F279 HydrophobicContact CB-CE2 4.11Å; N29-F279 HydrophobicContact CB-CG 4.15Å; N29-F279 HydrophobicContact CB-CZ 4.25Å; N29-F279 WeakPolarHBondContact O-CA 3.38Å; F31-F279 HydrophobicContact CD2-CD1 4.39Å; F31-F279 AromaticContact CE2-CD1 3.69Å; F31-F279 HydrophobicContact CE2-CD1 3.69Å; F31-F279 AromaticContact CE2-CE1 3.84Å; F31-F279 HydrophobicContact CE2-CE1 3.84Å; F31-F279 HydrophobicContact CZ-CE1 4.3Å; F279-K313 PolarHBondContact O-NZ 3.43Å; F279-W325 WeakPolarHBondContact CD2-O 3.5Å; F279-W325 PolarHBondContact N-O 3.11Å; F279-Q347 HydrophobicContact CD1-CG 4.13Å; F279-Q347 HydrophobicContact CE1-CG 3.53Å; F279-Q349 VanDerWaalsContact CZ-O 3.28Å; F279-Q349 WeakPolarHBondContact CZ-O 3.46Å
280A98.7Very high98.7Very high0 Ų027.3 Ų27.30%016%0.162CC..EExtended strand (participates in β ladder)trans-114.8149176.300000110.6F27 N29 A30 F31 L261 A278 L315F27-A280 HydrophobicContact CD1-CB 3.83Å; F27-A280 HydrophobicContact CE1-CB 4.17Å; F27-A280 HydrophobicContact CG-CB 4.49Å; N29-A280 PolarHBondContact O-N 3.49Å; A30-A280 WeakPolarHBondContact CA-O 3.45Å; A30-A280 HydrophobicContact CB-CB 4.32Å; F31-A280 PolarHBondContact N-O 2.82Å; L261-A280 HydrophobicContact CD2-CB 3.92Å; A278-A280 PolarHBondContact O-N 3.42Å; A280-L315 HydrophobicContact CB-CD1 4.19Å; A280-L315 HydrophobicContact CB-CD2 4.06Å
281S98.9Very high98.8Very high10 Ų1027.7 Ų27.77%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-117.5151.7170.7-177.20000110.1F31 L283 D284F31-S281 CarbonylContact O-C 3.34Å; F31-S281 VanDerWaalsContact O-CA 3.24Å; F31-S281 WeakPolarHBondContact O-CA 3.3Å; F31-S281 PolarHBondContact O-OG 2.93Å; S281-L283 PolarHBondContact O-N 2.85Å; S281-L283 VanDerWaalsContact O-N 3.16Å; S281-L283 PolarHBondContact OG-N 3.13Å; S281-D284 PolarHBondContact N-OD2 3.44Å; S281-D284 WeakPolarHBondContact O-CA 3.33Å; S281-D284 WeakPolarHBondContact O-CB 3.44Å; S281-D284 PolarHBondContact O-N 2.89Å
282L98.9Very high98.8Very high1 Ų128.6 Ų28.61%0.00515%0.152CC..G310 helixtrans-63-17.2168.8-88.756.7000113F31 I44 S239 E259 D284 L285F31-L282 PolarHBondContact O-N 3.06Å; I44-L282 HydrophobicContact CD1-CD2 3.67Å; I44-L282 HydrophobicContact CD1-CG 4.39Å; I44-L282 HydrophobicContact CG1-CB 3.86Å; I44-L282 HydrophobicContact CG1-CD2 3.83Å; I44-L282 HydrophobicContact CG1-CG 4.08Å; S239-L282 VanDerWaalsContact O-CD2 3.25Å; S239-L282 WeakPolarHBondContact O-CD2 3.44Å; E259-L282 HydrophobicContact CB-CD1 4.29Å; E259-L282 HydrophobicContact CG-CD1 4.31Å; E259-L282 HydrophobicContact CG-CD2 4.32Å; L282-D284 PolarHBondContact O-N 3.42Å; L282-L285 HydrophobicContact CG-CD1 4.16Å; L282-L285 PolarHBondContact O-N 2.9Å
283L98.9Very high98.8Very high4 Ų427.3 Ų27.32%0.02115%0.148CC..G310 helixtrans-64.7-18.5167.8-61.5178000112.9S281 L285 P287 W438S281-L283 PolarHBondContact O-N 2.85Å; S281-L283 VanDerWaalsContact O-N 3.16Å; S281-L283 PolarHBondContact OG-N 3.13Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L283-P287 WeakPolarHBondContact O-CD 3.3Å; L283-W438 HydrophobicContact CD1-CZ2 4.25Å
284D98.9Very high98.8Very high6 Ų630.4 Ų30.43%0.03216%0.162CC..G310 helixtrans-78.4-14.4177.7-61.2-31.8000112.2S281 L282 P287 T288 G312 K313 L315S281-D284 PolarHBondContact N-OD2 3.44Å; S281-D284 WeakPolarHBondContact O-CA 3.33Å; S281-D284 WeakPolarHBondContact O-CB 3.44Å; S281-D284 PolarHBondContact O-N 2.89Å; L282-D284 PolarHBondContact O-N 3.42Å; D284-P287 WeakPolarHBondContact O-CD 3.42Å; D284-P287 WeakPolarHBondContact O-CG 2.93Å; D284-T288 VanDerWaalsContact O-CB 3.27Å; D284-T288 WeakPolarHBondContact O-CB 3.4Å; D284-T288 PolarHBondContact O-N 3.43Å; D284-T288 PolarHBondContact O-OG1 3.15Å; D284-G312 WeakPolarHBondContact OD1-CA 3.37Å; D284-K313 WeakPolarHBondContact CA-O 3.26Å; D284-K313 WeakPolarHBondContact CB-O 3.29Å; D284-K313 PolarHBondContact OD1-N 2.96Å; D284-L315 HydrophobicContact CB-CD1 3.97Å; D284-L315 HydrophobicContact CB-CD2 3.83Å; D284-L315 HydrophobicContact CB-CG 3.76Å
285L98.9Very high98.8Very high7 Ų728 Ų284%0.03715%0.152CC..Hα-helixtrans-71-45.3-174.2-62.6-174.9000113.2I44 I236 T238 L261 L282 L283 T288 I289 L315I44-L285 HydrophobicContact CG1-CD1 4.47Å; I44-L285 HydrophobicContact CG2-CB 4.47Å; I44-L285 HydrophobicContact CG2-CD1 3.98Å; I236-L285 HydrophobicContact CD1-CD2 4.48Å; I236-L285 HydrophobicContact CG2-CD2 4.08Å; T238-L285 HydrophobicContact CG2-CD1 3.94Å; L261-L285 HydrophobicContact CD1-CD2 4.14Å; L282-L285 HydrophobicContact CG-CD1 4.16Å; L282-L285 PolarHBondContact O-N 2.9Å; L283-L285 VanDerWaalsContact C-N 3.31Å; L285-T288 PolarHBondContact O-N 3.48Å; L285-I289 VanDerWaalsContact O-CG1 3.3Å; L285-I289 WeakPolarHBondContact O-CG1 3.43Å; L285-I289 PolarHBondContact O-N 3.03Å; L285-L315 HydrophobicContact CD2-CD1 4.43Å
286T98.9Very high98.8Very high0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-56.8-54.8174.1-76.70000111.8I44 T46 G47 L74 T288 I289 L290 L310I44-T286 PolarHBondContact O-OG1 3.43Å; T46-T286 PolarHBondContact N-OG1 3.26Å; G47-T286 PolarHBondContact N-OG1 2.99Å; L74-T286 HydrophobicContact CB-CG2 4.31Å; L74-T286 HydrophobicContact CD1-CG2 4.37Å; T286-T288 VanDerWaalsContact C-N 3.29Å; T286-T288 PolarHBondContact O-N 3.3Å; T286-I289 PolarHBondContact O-N 3.02Å; T286-L290 HydrophobicContact CG2-CD1 3.8Å; T286-L290 HydrophobicContact CG2-CG 4.29Å; T286-L290 WeakPolarHBondContact O-CB 3.37Å; T286-L290 VanDerWaalsContact O-CG 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.42Å; T286-L290 PolarHBondContact O-N 3.24Å; T286-L310 HydrophobicContact CG2-CD1 4.47Å
287P98.9Very high98.8Very high18 Ų1832.1 Ų32.112%0.11718%0.177CC..Hα-helixtrans-63-32.5178.120.6-29.1000113.1L283 D284 D291 L310L283-P287 WeakPolarHBondContact O-CD 3.3Å; D284-P287 WeakPolarHBondContact O-CD 3.42Å; D284-P287 WeakPolarHBondContact O-CG 2.93Å; P287-D291 WeakPolarHBondContact O-CB 3.37Å; P287-D291 PolarHBondContact O-N 3.38Å; P287-L310 HydrophobicContact CB-CD1 3.95Å; P287-L310 HydrophobicContact CG-CD1 4.27Å
288T98.9Very high98.7Very high0 Ų029 Ų290%017%0.167CC..Hα-helixtrans-63-44.7174.1-59.20000112.3D284 L285 T286 D291 W292 L315 L316D284-T288 VanDerWaalsContact O-CB 3.27Å; D284-T288 WeakPolarHBondContact O-CB 3.4Å; D284-T288 PolarHBondContact O-N 3.43Å; D284-T288 PolarHBondContact O-OG1 3.15Å; L285-T288 PolarHBondContact O-N 3.48Å; T286-T288 VanDerWaalsContact C-N 3.29Å; T286-T288 PolarHBondContact O-N 3.3Å; T288-D291 PolarHBondContact O-N 3.4Å; T288-W292 PolarHBondContact O-N 2.86Å; T288-L315 HydrophobicContact CG2-CB 4.23Å; T288-L315 PolarHBondContact OG1-N 2.89Å; T288-L316 HydrophobicContact CG2-CD2 3.85Å; T288-L316 HydrophobicContact CG2-CG 4.07Å
289I98.9Very high98.7Very high21 Ų2134 Ų3411%0.10820%0.197CC..Hα-helixtrans-72.9-38.3-178.6-64.4163.3000110.5L74 L78 F139 I236 L285 T286 D291 W292 F293L74-I289 HydrophobicContact CD1-CB 4.09Å; L74-I289 HydrophobicContact CD1-CG2 3.91Å; L74-I289 HydrophobicContact CD2-CB 4.2Å; L74-I289 HydrophobicContact CD2-CD1 3.62Å; L74-I289 HydrophobicContact CD2-CG2 4.17Å; L78-I289 HydrophobicContact CD1-CG2 4.3Å; L78-I289 HydrophobicContact CD2-CG2 4.45Å; F139-I289 HydrophobicContact CD2-CG2 4.33Å; F139-I289 HydrophobicContact CE2-CD1 4.02Å; I236-I289 HydrophobicContact CD1-CD1 4.34Å; I236-I289 HydrophobicContact CD1-CG1 4.03Å; L285-I289 VanDerWaalsContact O-CG1 3.3Å; L285-I289 WeakPolarHBondContact O-CG1 3.43Å; L285-I289 PolarHBondContact O-N 3.03Å; T286-I289 PolarHBondContact O-N 3.02Å; I289-D291 VanDerWaalsContact C-N 3.34Å; I289-W292 PolarHBondContact O-N 2.93Å; I289-F293 HydrophobicContact CG2-CD2 3.92Å; I289-F293 HydrophobicContact CG2-CE2 3.9Å; I289-F293 VanDerWaalsContact O-CD2 3.26Å; I289-F293 WeakPolarHBondContact O-CD2 3.49Å; I289-F293 PolarHBondContact O-N 3.3Å
290L98.9Very high98.6Very high4 Ų434.6 Ų34.62%0.02120%0.199CC..Hα-helixtrans-61.7-43.2173-68.3176.8000111.3L74 L77 L78 T286 F293 S294 I295 Y297L74-L290 HydrophobicContact CD1-CD2 3.78Å; L74-L290 HydrophobicContact CD1-CG 3.92Å; L77-L290 HydrophobicContact CB-CD2 4.15Å; L77-L290 HydrophobicContact CD1-CD1 4.12Å; L77-L290 HydrophobicContact CD1-CD2 4.26Å; L78-L290 HydrophobicContact CD2-CD2 4.35Å; T286-L290 HydrophobicContact CG2-CD1 3.8Å; T286-L290 HydrophobicContact CG2-CG 4.29Å; T286-L290 WeakPolarHBondContact O-CB 3.37Å; T286-L290 VanDerWaalsContact O-CG 3.3Å; T286-L290 WeakPolarHBondContact O-CG 3.42Å; T286-L290 PolarHBondContact O-N 3.24Å; L290-F293 CarbonylContact O-C 3.53Å; L290-F293 PolarHBondContact O-N 3.01Å; L290-S294 PolarHBondContact O-N 3.2Å; L290-I295 HydrophobicContact CB-CB 4.46Å; L290-I295 HydrophobicContact CD2-CB 3.98Å; L290-I295 HydrophobicContact CD2-CG2 3.82Å; L290-I295 PolarHBondContact O-N 3.16Å; L290-Y297 HydrophobicContact CD1-CD2 3.79Å
291D98.9Very high98.6Very high74 Ų7436.5 Ų36.540%0.39621%0.212SC..Hα-helixtrans-61.5-44.5175.5-17227.4000111.9P287 T288 I289 F293 S294 S314 L316P287-D291 WeakPolarHBondContact O-CB 3.37Å; P287-D291 PolarHBondContact O-N 3.38Å; T288-D291 PolarHBondContact O-N 3.4Å; I289-D291 VanDerWaalsContact C-N 3.34Å; D291-F293 PolarHBondContact O-N 3.48Å; D291-S294 PolarHBondContact O-N 3.27Å; D291-S314 WeakPolarHBondContact OD2-CB 3.3Å; D291-S314 PolarHBondContact OD2-OG 2.9Å; D291-L316 HydrophobicContact CB-CD1 4.19Å
292W98.9Very high98.5Very high44 Ų4437.1 Ų37.117%0.16721%0.214CC..Hα-helixtrans-55.2-38175.1178.8-100.4000113L234 P266 E267 T288 I289 L316L234-W292 HydrophobicContact CB-CD2 3.77Å; L234-W292 HydrophobicContact CB-CE3 4.24Å; L234-W292 HydrophobicContact CB-CG 4.16Å; L234-W292 HydrophobicContact CB-CH2 4.45Å; L234-W292 HydrophobicContact CB-CZ2 4Å; L234-W292 HydrophobicContact CD2-CB 3.92Å; L234-W292 HydrophobicContact CD2-CD2 3.89Å; L234-W292 HydrophobicContact CD2-CE3 4.18Å; L234-W292 HydrophobicContact CD2-CG 3.76Å; L234-W292 HydrophobicContact CG-CD2 4.36Å; P266-W292 HydrophobicContact CG-CH2 4.29Å; E267-W292 HydrophobicContact CB-CH2 4.33Å; E267-W292 HydrophobicContact CG-CH2 3.95Å; T288-W292 PolarHBondContact O-N 2.86Å; I289-W292 PolarHBondContact O-N 2.93Å; W292-L316 HydrophobicContact CB-CD1 4.25Å; W292-L316 HydrophobicContact CE3-CD1 4.2Å; W292-L316 HydrophobicContact CE3-CD2 4.29Å
293F98.8Very high98.3Very high52 Ų5243.2 Ų43.223%0.22824%0.241CC..THydrogen-bonded Turntrans-92.65.5176.7-70.5-65.7000114L78 I83 P137 F138 I289 L290 D291 I295L78-F293 HydrophobicContact CD2-CD2 3.7Å; L78-F293 HydrophobicContact CD2-CE2 4.23Å; L78-F293 HydrophobicContact CD2-CG 4.4Å; I83-F293 HydrophobicContact CD1-CB 3.64Å; I83-F293 HydrophobicContact CD1-CD1 3.47Å; I83-F293 VanDerWaalsContact CD1-CD1 3.47Å; I83-F293 HydrophobicContact CD1-CD2 3.76Å; I83-F293 HydrophobicContact CD1-CE1 3.99Å; I83-F293 HydrophobicContact CD1-CE2 4.25Å; I83-F293 HydrophobicContact CD1-CG 3.34Å; I83-F293 HydrophobicContact CD1-CZ 4.36Å; I83-F293 HydrophobicContact CG1-CD1 4.36Å; I83-F293 HydrophobicContact CG2-CZ 4.36Å; P137-F293 HydrophobicContact CB-CE1 4.09Å; F138-F293 WeakPolarHBondContact O-CZ 3.41Å; I289-F293 HydrophobicContact CG2-CD2 3.92Å; I289-F293 HydrophobicContact CG2-CE2 3.9Å; I289-F293 VanDerWaalsContact O-CD2 3.26Å; I289-F293 WeakPolarHBondContact O-CD2 3.49Å; I289-F293 PolarHBondContact O-N 3.3Å; L290-F293 CarbonylContact O-C 3.53Å; L290-F293 PolarHBondContact O-N 3.01Å; D291-F293 PolarHBondContact O-N 3.48Å; F293-I295 HydrophobicContact CB-CD1 3.71Å; F293-I295 HydrophobicContact CB-CG1 4.03Å; F293-I295 PolarHBondContact O-N 2.78Å
294S98.7Very high97.8Very high111 Ų11146.7 Ų46.778%0.77628%0.278SS*.THydrogen-bonded Turntrans55.236-176-59.60000113.9L290 D291L290-S294 PolarHBondContact O-N 3.2Å; D291-S294 PolarHBondContact O-N 3.27Å
295I98.8Very high97.3Very high33 Ų3358 Ų5817%0.16932%0.32CS..PPolyproline II helixtrans-97.6125.6178.7-63.4165.3000109.4L78 A81 I83 L290 F293L78-I295 HydrophobicContact CD2-CD1 3.69Å; A81-I295 HydrophobicContact CB-CD1 3.36Å; A81-I295 HydrophobicContact CB-CG1 3.81Å; I83-I295 HydrophobicContact CD1-CD1 3.55Å; L290-I295 HydrophobicContact CB-CB 4.46Å; L290-I295 HydrophobicContact CD2-CB 3.98Å; L290-I295 HydrophobicContact CD2-CG2 3.82Å; L290-I295 PolarHBondContact O-N 3.16Å; F293-I295 HydrophobicContact CB-CD1 3.71Å; F293-I295 HydrophobicContact CB-CG1 4.03Å; F293-I295 PolarHBondContact O-N 2.78Å
296S98.1Very high96.9Very high109 Ų10962.1 Ų62.176%0.76234%0.337SS*.PPolyproline II helixtrans-78.2137173.4-64.50000111.1
297Y98.4Very high96.6Very high48 Ų4870.3 Ų70.319%0.18837%0.369CS..PPolyproline II helixtrans-67.4129.9170.7-165.1-106.2000110L77 L290 Y300 V308 L310L77-Y297 HydrophobicContact CD1-CD2 3.75Å; L77-Y297 HydrophobicContact CD1-CE2 3.83Å; L290-Y297 HydrophobicContact CD1-CD2 3.79Å; Y297-Y300 HydrophobicContact CE1-CD1 4.48Å; Y297-Y300 AromaticContact CE1-CE1 3.77Å; Y297-Y300 HydrophobicContact CE1-CE1 3.77Å; Y297-Y300 AromaticContact CZ-CE1 3.78Å; Y297-Y300 WeakPolarHBondContact OH-CE1 3.35Å; Y297-Y300 PolarHBondContact OH-OH 3.19Å; Y297-Y300 VanDerWaalsContact OH-OH 3.13Å; Y297-V308 HydrophobicContact CE1-CG1 4.12Å; Y297-L310 HydrophobicContact CD1-CD1 4.27Å; Y297-L310 HydrophobicContact CD1-CD2 4.49Å; Y297-L310 HydrophobicContact CD1-CG 3.93Å; Y297-L310 HydrophobicContact CD2-CD1 3.72Å; Y297-L310 HydrophobicContact CD2-CD2 4.29Å; Y297-L310 HydrophobicContact CD2-CG 4.07Å; Y297-L310 HydrophobicContact CE1-CD2 4.04Å; Y297-L310 HydrophobicContact CE1-CG 3.95Å; Y297-L310 HydrophobicContact CE2-CD1 4.11Å; Y297-L310 HydrophobicContact CE2-CD2 3.83Å; Y297-L310 HydrophobicContact CE2-CG 4.1Å; Y297-L310 HydrophobicContact CG-CD1 3.79Å; Y297-L310 HydrophobicContact CG-CG 3.97Å
298P97.7Very high96.5Very high45 Ų4570 Ų7029%0.29237%0.366SS..PPolyproline II helixtrans-70.6152.9-174.129.7-36.4000111.9Q72 L77 Y300Q72-P298 HydrophobicContact CB-CG 4.26Å; Q72-P298 HydrophobicContact CG-CG 4.12Å; L77-P298 HydrophobicContact CD2-CG 3.78Å; P298-Y300 HydrophobicContact CG-CD1 4.1Å; P298-Y300 HydrophobicContact CG-CE1 4.48Å; P298-Y300 PolarHBondContact O-N 3.05Å
299T97.6Very high96.3Very high107 Ų10776.3 Ų76.366%0.65640%0.396SS*.  trans-84.5111.7167.3-630000109.4R307T299-R307 HydrophobicContact CG2-CG 4.46Å
300Y97.8Very high96.3Very high33 Ų3377.1 Ų77.113%0.12940%0.4CS..  trans-149176.1177.778.4-73.7000111.7S70 Q72 Y297 P298 I302 R307 V308S70-Y300 WeakPolarHBondContact O-CE2 3.32Å; Q72-Y300 HydrophobicContact CB-CE1 3.91Å; Q72-Y300 HydrophobicContact CG-CD1 3.9Å; Q72-Y300 HydrophobicContact CG-CD2 4.05Å; Q72-Y300 HydrophobicContact CG-CE1 3.71Å; Q72-Y300 HydrophobicContact CG-CE2 3.88Å; Q72-Y300 HydrophobicContact CG-CG 4.06Å; Q72-Y300 PolarHBondContact N-OH 2.73Å; Y297-Y300 HydrophobicContact CE1-CD1 4.48Å; Y297-Y300 AromaticContact CE1-CE1 3.77Å; Y297-Y300 HydrophobicContact CE1-CE1 3.77Å; Y297-Y300 AromaticContact CZ-CE1 3.78Å; Y297-Y300 WeakPolarHBondContact OH-CE1 3.35Å; Y297-Y300 PolarHBondContact OH-OH 3.19Å; Y297-Y300 VanDerWaalsContact OH-OH 3.13Å; P298-Y300 HydrophobicContact CG-CD1 4.1Å; P298-Y300 HydrophobicContact CG-CE1 4.48Å; P298-Y300 PolarHBondContact O-N 3.05Å; Y300-I302 HydrophobicContact CE2-CG1 3.82Å; Y300-R307 WeakPolarHBondContact O-CA 3.46Å; Y300-V308 HydrophobicContact CD1-CB 4.32Å; Y300-V308 HydrophobicContact CD2-CG2 4.34Å; Y300-V308 HydrophobicContact CE1-CB 3.82Å; Y300-V308 HydrophobicContact CE1-CG1 4.06Å; Y300-V308 HydrophobicContact CE1-CG2 4.15Å; Y300-V308 HydrophobicContact CE2-CB 4.39Å; Y300-V308 HydrophobicContact CE2-CG2 3.81Å; Y300-V308 PolarHBondContact O-N 3.16Å
301S97.6Very high96.2Very high40 Ų4079.8 Ų79.828%0.2842%0.417SS..  trans-130.9138.8175-720000109.2K306S301-K306 WeakPolarHBondContact CA-O 3.37Å; S301-K306 WeakPolarHBondContact CB-O 3.42Å; S301-K306 VanDerWaalsContact OG-C 3.24Å; S301-K306 PolarHBondContact OG-O 2.98Å
302I96.8Very high96.2Very high22 Ų2277 Ų7711%0.11341%0.405CS..SBendtrans-80-46.3169.3-60.4165.2000109.2L48 F68 V71 Y300 V308L48-I302 HydrophobicContact CD1-CD1 4.45Å; F68-I302 HydrophobicContact CB-CG2 3.77Å; F68-I302 HydrophobicContact CD2-CG2 3.86Å; F68-I302 HydrophobicContact CG-CG2 4.03Å; V71-I302 HydrophobicContact CG2-CD1 3.78Å; V71-I302 HydrophobicContact CG2-CG1 4.3Å; Y300-I302 HydrophobicContact CE2-CG1 3.82Å; I302-V308 HydrophobicContact CD1-CG2 3.86Å; I302-V308 HydrophobicContact CG1-CG2 3.72Å
303F94Very high96.2Very high129 Ų12977.9 Ų77.957%0.56641%0.41SS*.SBendtrans-128.8133.2-179.6-54.9-65.2000111.6F68 R305 K306F68-F303 HydrophobicContact CB-CZ 4.44Å; F68-F303 HydrophobicContact CD1-CE2 4.4Å; F68-F303 AromaticContact CD1-CZ 3.63Å; F68-F303 HydrophobicContact CD1-CZ 3.63Å; F68-F303 AromaticContact CD2-CE2 3.75Å; F68-F303 HydrophobicContact CD2-CE2 3.75Å; F68-F303 AromaticContact CD2-CZ 3.77Å; F68-F303 HydrophobicContact CD2-CZ 3.77Å; F68-F303 HydrophobicContact CE1-CE2 4.22Å; F68-F303 AromaticContact CE1-CZ 3.62Å; F68-F303 HydrophobicContact CE1-CZ 3.62Å; F68-F303 AromaticContact CE2-CE2 3.53Å; F68-F303 HydrophobicContact CE2-CE2 3.53Å; F68-F303 AromaticContact CE2-CZ 3.76Å; F68-F303 HydrophobicContact CE2-CZ 3.76Å; F68-F303 HydrophobicContact CG-CE2 4.17Å; F68-F303 AromaticContact CG-CZ 3.68Å; F68-F303 HydrophobicContact CG-CZ 3.68Å; F68-F303 AromaticContact CZ-CE2 3.76Å; F68-F303 HydrophobicContact CZ-CE2 3.76Å; F68-F303 AromaticContact CZ-CZ 3.66Å; F68-F303 HydrophobicContact CZ-CZ 3.66Å; F303-R305 PolarHBondContact O-N 2.63Å; F303-K306 PolarHBondContact O-N 3.02Å
304G90.4Very high96.2Very high77 Ų7776.4 Ų76.479%0.79441%0.406SS*.THydrogen-bonded Turntrans55.9-127.1173.600000112.9
305R86.8Confident96.2Very high244 Ų24471.1 Ų71.192%0.92137%0.369SS*.THydrogen-bonded Turntrans-109.61-177-61.1-178-179.2177.70.1113.8F303 R307F303-R305 PolarHBondContact O-N 2.63Å; R305-R307 PolarHBondContact O-N 2.9Å
306K90.3Very high96.2Very high93 Ų9370.4 Ų70.440%0.40437%0.366SS..  trans-74.2115.5-179.4-70-172.8-172.6175.70108.6S301 F303 E456S301-K306 WeakPolarHBondContact CA-O 3.37Å; S301-K306 WeakPolarHBondContact CB-O 3.42Å; S301-K306 VanDerWaalsContact OG-C 3.24Å; S301-K306 PolarHBondContact OG-O 2.98Å; F303-K306 PolarHBondContact O-N 3.02Å; K306-E456 IonicContact NZ-OE1 3Å; K306-E456 PolarHBondContact NZ-OE1 3.45Å
307R94.4Very high96.2Very high173 Ų17367.7 Ų67.765%0.65335%0.346SS*.  trans-72.9136.6179.5-69.4-176.7179.8-174.41.8109.5T299 Y300 R305T299-R307 HydrophobicContact CG2-CG 4.46Å; Y300-R307 WeakPolarHBondContact O-CA 3.46Å; R305-R307 PolarHBondContact O-N 2.9Å
308V96.2Very high96.2Very high10 Ų1065.4 Ų65.46%0.06134%0.337CS..  trans-73.5136.1169.1-178.50000108.6L48 Y297 Y300 I302L48-V308 HydrophobicContact CD1-CG1 3.86Å; L48-V308 HydrophobicContact CD2-CG1 3.44Å; L48-V308 VanDerWaalsContact CD2-CG1 3.44Å; L48-V308 HydrophobicContact CG-CG1 4.3Å; Y297-V308 HydrophobicContact CE1-CG1 4.12Å; Y300-V308 HydrophobicContact CD1-CB 4.32Å; Y300-V308 HydrophobicContact CD2-CG2 4.34Å; Y300-V308 HydrophobicContact CE1-CB 3.82Å; Y300-V308 HydrophobicContact CE1-CG1 4.06Å; Y300-V308 HydrophobicContact CE1-CG2 4.15Å; Y300-V308 HydrophobicContact CE2-CB 4.39Å; Y300-V308 HydrophobicContact CE2-CG2 3.81Å; Y300-V308 PolarHBondContact O-N 3.16Å; I302-V308 HydrophobicContact CD1-CG2 3.86Å; I302-V308 HydrophobicContact CG1-CG2 3.72Å
309Q94.4Very high96.3Very high134 Ų13463.4 Ų63.463%0.62632%0.323SS*.  trans-135.2135.4172.8-64.3-173.2-0.100108.9T311Q309-T311 PolarHBondContact O-N 3.39Å
310L98.3Very high96.3Very high38 Ų3864.6 Ų64.620%0.19932%0.322CS..  trans-69.6128.9169.2-59.7-178000108.5T46 L48 T286 P287 Y297T46-L310 WeakPolarHBondContact O-CD2 3.46Å; L48-L310 HydrophobicContact CD2-CD2 3.75Å; L48-L310 HydrophobicContact CG-CD2 4.48Å; T286-L310 HydrophobicContact CG2-CD1 4.47Å; P287-L310 HydrophobicContact CB-CD1 3.95Å; P287-L310 HydrophobicContact CG-CD1 4.27Å; Y297-L310 HydrophobicContact CD1-CD1 4.27Å; Y297-L310 HydrophobicContact CD1-CD2 4.49Å; Y297-L310 HydrophobicContact CD1-CG 3.93Å; Y297-L310 HydrophobicContact CD2-CD1 3.72Å; Y297-L310 HydrophobicContact CD2-CD2 4.29Å; Y297-L310 HydrophobicContact CD2-CG 4.07Å; Y297-L310 HydrophobicContact CE1-CD2 4.04Å; Y297-L310 HydrophobicContact CE1-CG 3.95Å; Y297-L310 HydrophobicContact CE2-CD1 4.11Å; Y297-L310 HydrophobicContact CE2-CD2 3.83Å; Y297-L310 HydrophobicContact CE2-CG 4.1Å; Y297-L310 HydrophobicContact CG-CD1 3.79Å; Y297-L310 HydrophobicContact CG-CG 3.97Å
311T98.4Very high96.3Very high60 Ų6068.8 Ų68.837%0.36835%0.346SS..  trans-91-15.1170.4590000112.4Q309 W438 T442Q309-T311 PolarHBondContact O-N 3.39Å; T311-W438 PolarHBondContact OG1-NE1 3.22Å; T311-T442 HydrophobicContact CG2-CG2 3.54Å
312G98.1Very high96.3Very high15 Ų1570.1 Ų70.116%0.15535%0.347CS..  trans-74.8170170.500000112.2D284D284-G312 WeakPolarHBondContact OD1-CA 3.37Å
313K98.2Very high96.4Very high62 Ų6271.3 Ų71.327%0.2735%0.352SS..  trans-132.9162.8-17968.1-139.6164.1-161.90111.2F279 D284 W325F279-K313 PolarHBondContact O-NZ 3.43Å; D284-K313 WeakPolarHBondContact CA-O 3.26Å; D284-K313 WeakPolarHBondContact CB-O 3.29Å; D284-K313 PolarHBondContact OD1-N 2.96Å; K313-W325 HydrophobicContact CD-CD2 3.94Å; K313-W325 HydrophobicContact CD-CE3 4.41Å; K313-W325 HydrophobicContact CD-CG 4.25Å; K313-W325 HydrophobicContact CD-CZ2 4.11Å; K313-W325 VanDerWaalsContact CE-CE3 3.47Å; K313-W325 HydrophobicContact CG-CH2 4.33Å; K313-W325 HydrophobicContact CG-CZ2 4.15Å; K313-W325 VanDerWaalsContact NZ-CG 3.34Å
314S98.8Very high96.6Very high21 Ų2170.8 Ų70.815%0.14737%0.365CS..  trans-67.8136.9169.6177.20000110.9D291 L316 P317 W325D291-S314 WeakPolarHBondContact OD2-CB 3.3Å; D291-S314 PolarHBondContact OD2-OG 2.9Å; S314-L316 WeakPolarHBondContact OG-CG 3.03Å; S314-L316 PolarHBondContact OG-N 3.45Å; S314-P317 WeakPolarHBondContact O-CD 3.46Å; S314-W325 WeakPolarHBondContact O-CH2 3.38Å
315L98.9Very high97Very high0 Ų069.5 Ų69.50%034%0.336CS..SBendtrans-91.2-3.7174.5-58.5179.4000112.6F27 L261 I263 A280 D284 L285 T288 P317 A318 W325F27-L315 HydrophobicContact CE1-CD2 4.47Å; F27-L315 HydrophobicContact CZ-CB 4.35Å; F27-L315 HydrophobicContact CZ-CD1 4.48Å; L261-L315 HydrophobicContact CD2-CD1 3.88Å; I263-L315 HydrophobicContact CD1-CB 3.77Å; I263-L315 HydrophobicContact CD1-CD1 3.6Å; I263-L315 HydrophobicContact CD1-CG 4.34Å; A280-L315 HydrophobicContact CB-CD1 4.19Å; A280-L315 HydrophobicContact CB-CD2 4.06Å; D284-L315 HydrophobicContact CB-CD1 3.97Å; D284-L315 HydrophobicContact CB-CD2 3.83Å; D284-L315 HydrophobicContact CB-CG 3.76Å; L285-L315 HydrophobicContact CD2-CD1 4.43Å; T288-L315 HydrophobicContact CG2-CB 4.23Å; T288-L315 PolarHBondContact OG1-N 2.89Å; L315-P317 VanDerWaalsContact C-CD 3.47Å; L315-A318 WeakPolarHBondContact O-CB 3.5Å; L315-A318 PolarHBondContact O-N 2.95Å; L315-W325 HydrophobicContact CD2-CE3 4.19Å; L315-W325 HydrophobicContact CD2-CH2 4.11Å; L315-W325 HydrophobicContact CD2-CZ3 3.47Å; L315-W325 VanDerWaalsContact CD2-CZ3 3.47Å
316L98.8Very high97.6Very high18 Ų1858.8 Ų58.89%0.09430%0.3CS..THydrogen-bonded Turntrans-57-39.9178.2-59.5-173.7000113.2L234 T288 D291 W292 S314 A318 L319L234-L316 HydrophobicContact CD1-CD2 4.45Å; L234-L316 HydrophobicContact CD2-CD2 4.28Å; T288-L316 HydrophobicContact CG2-CD2 3.85Å; T288-L316 HydrophobicContact CG2-CG 4.07Å; D291-L316 HydrophobicContact CB-CD1 4.19Å; W292-L316 HydrophobicContact CB-CD1 4.25Å; W292-L316 HydrophobicContact CE3-CD1 4.2Å; W292-L316 HydrophobicContact CE3-CD2 4.29Å; S314-L316 WeakPolarHBondContact OG-CG 3.03Å; S314-L316 PolarHBondContact OG-N 3.45Å; L316-A318 PolarHBondContact O-N 2.98Å; L316-A318 VanDerWaalsContact O-N 3.16Å; L316-L319 HydrophobicContact CD2-CD1 3.91Å; L316-L319 VanDerWaalsContact O-CB 3.28Å; L316-L319 WeakPolarHBondContact O-CB 3.28Å; L316-L319 WeakPolarHBondContact O-CG 3.46Å; L316-L319 PolarHBondContact O-N 2.88Å
317P98.8Very high98Very high53 Ų5356.1 Ų56.134%0.34429%0.291SS..Hα-helixtrans-59.4-28.4175.8-26.436.3000114.2S314 L315 L319 E320 L321 Q323S314-P317 WeakPolarHBondContact O-CD 3.46Å; L315-P317 VanDerWaalsContact C-CD 3.47Å; P317-L319 PolarHBondContact O-N 2.78Å; P317-E320 PolarHBondContact O-N 2.96Å; P317-L321 PolarHBondContact O-N 3.37Å; P317-L321 VanDerWaalsContact O-N 3.08Å; P317-L321 VanDerWaalsContact O-O 3.12Å; P317-Q323 PolarHBondContact O-NE2 2.88Å
318A98.6Very high98.2Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-71.5-13.417600000113.6F27 R271 L315 L316 L321 Q323 W325F27-A318 HydrophobicContact CE1-CB 4.11Å; F27-A318 HydrophobicContact CZ-CB 3.77Å; R271-A318 PolarHBondContact NE-O 3.15Å; R271-A318 VanDerWaalsContact NE-O 3.11Å; L315-A318 WeakPolarHBondContact O-CB 3.5Å; L315-A318 PolarHBondContact O-N 2.95Å; L316-A318 PolarHBondContact O-N 2.98Å; L316-A318 VanDerWaalsContact O-N 3.16Å; A318-L321 WeakPolarHBondContact CA-O 3.36Å; A318-Q323 HydrophobicContact CB-CG 3.86Å; A318-W325 HydrophobicContact CB-CH2 4.14Å; A318-W325 HydrophobicContact CB-CZ3 3.85Å
319L98.7Very high98.3Very high2 Ų249.5 Ų49.51%0.0127%0.267CS..Hα-helixtrans-80.1-20.7174.7-49.5-175.3000112.4V25 I263 H268 R271 L316 P317V25-L319 HydrophobicContact CB-CD2 3.87Å; V25-L319 HydrophobicContact CG2-CD2 3.72Å; I263-L319 HydrophobicContact CB-CD2 3.9Å; I263-L319 HydrophobicContact CG2-CD1 3.78Å; I263-L319 HydrophobicContact CG2-CD2 3.76Å; I263-L319 HydrophobicContact CG2-CG 4.35Å; H268-L319 HydrophobicContact CB-CB 3.71Å; H268-L319 HydrophobicContact CB-CD1 4.38Å; R271-L319 WeakPolarHBondContact CB-O 3.37Å; R271-L319 WeakPolarHBondContact CD-O 3.41Å; R271-L319 WeakPolarHBondContact CG-O 3.33Å; L316-L319 HydrophobicContact CD2-CD1 3.91Å; L316-L319 VanDerWaalsContact O-CB 3.28Å; L316-L319 WeakPolarHBondContact O-CB 3.28Å; L316-L319 WeakPolarHBondContact O-CG 3.46Å; L316-L319 PolarHBondContact O-N 2.88Å; P317-L319 PolarHBondContact O-N 2.78Å
320E98.1Very high98.5Very high133 Ų13343.3 Ų43.362%0.62124%0.238SC*.Hα-helixtrans-98.2-45.2176.4-60.4-172.3162.800112H268 R271 P317H268-E320 IonicContact CD2-OE1 3.44Å; H268-E320 PolarHBondContact CD2-OE1 3.22Å; H268-E320 VanDerWaalsContact CD2-OE1 3.29Å; H268-E320 IonicContact NE2-OE1 3.96Å; R271-E320 VanDerWaalsContact CD-O 3.25Å; R271-E320 WeakPolarHBondContact CD-O 3.3Å; P317-E320 PolarHBondContact O-N 2.96Å
321L98.1Very high98.5Very high121 Ų12141.5 Ų41.563%0.63423%0.229SC*.SBendtrans-142.4143.1-174.8-174.266.5000111.8P317 A318 Q323P317-L321 PolarHBondContact O-N 3.37Å; P317-L321 VanDerWaalsContact O-N 3.08Å; P317-L321 VanDerWaalsContact O-O 3.12Å; A318-L321 WeakPolarHBondContact CA-O 3.36Å; L321-Q323 PolarHBondContact O-N 3.36Å; L321-Q323 PolarHBondContact O-NE2 3.12Å
322E98.4Very high98.6Very high67 Ų6739 Ų3931%0.31321%0.214SC..  trans-57.5135173.3-172.665.4-16100111.1R271 Q277 A278R271-E322 IonicContact CZ-OE2 2.93Å; R271-E322 IonicContact NH1-OE2 3.54Å; R271-E322 IonicContact NH2-OE2 3.59Å; R271-E322 PolarHBondContact NH2-OE2 3Å; Q277-E322 WeakPolarHBondContact CA-OE1 3.28Å; Q277-E322 PolarHBondContact N-OE1 3.26Å; A278-E322 PolarHBondContact N-OE1 2.89Å
323Q98.4Very high98.6Very high47 Ų4738.4 Ų38.422%0.2221%0.207CC..  trans-106.2147.5-177.6-57.7-63.4-46.200110.6A278 P317 A318 L321 W325A278-Q323 HydrophobicContact CB-CB 4.08Å; A278-Q323 WeakPolarHBondContact CB-O 3.42Å; P317-Q323 PolarHBondContact O-NE2 2.88Å; A318-Q323 HydrophobicContact CB-CG 3.86Å; L321-Q323 PolarHBondContact O-N 3.36Å; L321-Q323 PolarHBondContact O-NE2 3.12Å; Q323-W325 HydrophobicContact CB-CD2 3.51Å; Q323-W325 HydrophobicContact CB-CE3 3.74Å; Q323-W325 HydrophobicContact CB-CG 4Å; Q323-W325 HydrophobicContact CB-CH2 4.19Å; Q323-W325 HydrophobicContact CB-CZ2 3.97Å; Q323-W325 HydrophobicContact CB-CZ3 4.06Å; Q323-W325 HydrophobicContact CG-CD2 4.1Å; Q323-W325 HydrophobicContact CG-CE3 4.12Å; Q323-W325 HydrophobicContact CG-CH2 3.67Å; Q323-W325 HydrophobicContact CG-CZ2 3.63Å; Q323-W325 HydrophobicContact CG-CZ3 3.91Å; Q323-W325 PolarHBondContact O-N 3.3Å
324S98.1Very high98.6Very high119 Ų11936.8 Ų36.883%0.83220%0.2SC*.  trans-86.921.3178.657.80000113.6A326S324-A326 PolarHBondContact O-N 3.33Å
325W98.6Very high98.6Very high50 Ų5036 Ų3619%0.18919%0.194CC..  trans-64.8130.1179.8-56.2-32000110.7A278 F279 K313 S314 L315 A318 Q323A278-W325 HydrophobicContact CB-CB 4.36Å; A278-W325 HydrophobicContact CB-CE3 3.96Å; F279-W325 WeakPolarHBondContact CD2-O 3.5Å; F279-W325 PolarHBondContact N-O 3.11Å; K313-W325 HydrophobicContact CD-CD2 3.94Å; K313-W325 HydrophobicContact CD-CE3 4.41Å; K313-W325 HydrophobicContact CD-CG 4.25Å; K313-W325 HydrophobicContact CD-CZ2 4.11Å; K313-W325 VanDerWaalsContact CE-CE3 3.47Å; K313-W325 HydrophobicContact CG-CH2 4.33Å; K313-W325 HydrophobicContact CG-CZ2 4.15Å; K313-W325 VanDerWaalsContact NZ-CG 3.34Å; S314-W325 WeakPolarHBondContact O-CH2 3.38Å; L315-W325 HydrophobicContact CD2-CE3 4.19Å; L315-W325 HydrophobicContact CD2-CH2 4.11Å; L315-W325 HydrophobicContact CD2-CZ3 3.47Å; L315-W325 VanDerWaalsContact CD2-CZ3 3.47Å; A318-W325 HydrophobicContact CB-CH2 4.14Å; A318-W325 HydrophobicContact CB-CZ3 3.85Å; Q323-W325 HydrophobicContact CB-CD2 3.51Å; Q323-W325 HydrophobicContact CB-CE3 3.74Å; Q323-W325 HydrophobicContact CB-CG 4Å; Q323-W325 HydrophobicContact CB-CH2 4.19Å; Q323-W325 HydrophobicContact CB-CZ2 3.97Å; Q323-W325 HydrophobicContact CB-CZ3 4.06Å; Q323-W325 HydrophobicContact CG-CD2 4.1Å; Q323-W325 HydrophobicContact CG-CE3 4.12Å; Q323-W325 HydrophobicContact CG-CH2 3.67Å; Q323-W325 HydrophobicContact CG-CZ2 3.63Å; Q323-W325 HydrophobicContact CG-CZ3 3.91Å; Q323-W325 PolarHBondContact O-N 3.3Å
326A98.4Very high98.6Very high19 Ų1936.6 Ų36.616%0.15720%0.197CC..  trans-131.7-0.2-16800000114.4S324 H348 Q349S324-A326 PolarHBondContact O-N 3.33Å; A326-H348 CarbonylContact O-C 3.47Å; A326-H348 VanDerWaalsContact O-CA 3.29Å; A326-H348 WeakPolarHBondContact O-CA 3.5Å; A326-Q349 HydrophobicContact CB-CG 3.79Å; A326-Q349 PolarHBondContact O-N 3.5Å
327T98.7Very high98.6Very high37 Ų3738.8 Ų38.823%0.22721%0.211CC..EExtended strand (participates in β ladder)trans-128.3136-172.4-51.10000111.8F329 I346 Q347 H348T327-F329 HydrophobicContact CG2-CD2 4.23Å; T327-F329 HydrophobicContact CG2-CE1 4.35Å; T327-F329 HydrophobicContact CG2-CE2 3.61Å; T327-F329 HydrophobicContact CG2-CZ 3.68Å; T327-I346 HydrophobicContact CG2-CD1 3.87Å; T327-I346 HydrophobicContact CG2-CG1 3.83Å; T327-Q347 CarbonylContact C-O 3.47Å; T327-Q347 VanDerWaalsContact CA-O 3.26Å; T327-Q347 WeakPolarHBondContact CA-O 3.4Å; T327-H348 PolarHBondContact OG1-ND1 2.99Å
328A98.5Very high98.6Very high3 Ų341.5 Ų41.53%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-134.4144.9167.700000110.1F31 I346 Q347F31-A328 HydrophobicContact CB-CB 4.27Å; F31-A328 HydrophobicContact CD2-CB 3.87Å; F31-A328 HydrophobicContact CG-CB 4.35Å; A328-I346 WeakPolarHBondContact O-CA 3.19Å; A328-Q347 PolarHBondContact N-O 2.82Å; A328-Q347 PolarHBondContact O-N 2.81Å
329F98.9Very high98.6Very high40 Ų4041.9 Ų41.918%0.17523%0.228CC..EExtended strand (participates in β ladder)trans-116.6150180-62.9-86.1000111T327 A345 I346 L435 W438T327-F329 HydrophobicContact CG2-CD2 4.23Å; T327-F329 HydrophobicContact CG2-CE1 4.35Å; T327-F329 HydrophobicContact CG2-CE2 3.61Å; T327-F329 HydrophobicContact CG2-CZ 3.68Å; F329-A345 WeakPolarHBondContact CA-O 3.49Å; F329-I346 HydrophobicContact CD1-CB 3.89Å; F329-I346 HydrophobicContact CD1-CD1 4.23Å; F329-I346 HydrophobicContact CD1-CG1 3.87Å; F329-I346 HydrophobicContact CE1-CB 3.98Å; F329-I346 HydrophobicContact CE1-CD1 3.46Å; F329-I346 VanDerWaalsContact CE1-CD1 3.46Å; F329-I346 HydrophobicContact CE1-CG1 3.62Å; F329-I346 HydrophobicContact CZ-CD1 3.9Å; F329-I346 HydrophobicContact CZ-CG1 4.26Å; F329-L435 HydrophobicContact CD1-CD1 4.06Å; F329-W438 HydrophobicContact CB-CD2 3.67Å; F329-W438 HydrophobicContact CB-CE3 3.88Å; F329-W438 HydrophobicContact CB-CG 4.23Å; F329-W438 HydrophobicContact CB-CH2 3.98Å; F329-W438 HydrophobicContact CB-CZ2 3.81Å; F329-W438 HydrophobicContact CB-CZ3 4.01Å; F329-W438 HydrophobicContact CD1-CB 3.87Å; F329-W438 AromaticContact CD1-CD2 3.92Å; F329-W438 HydrophobicContact CD1-CD2 3.92Å; F329-W438 HydrophobicContact CD1-CE3 4.08Å; F329-W438 AromaticContact CD1-CG 3.83Å; F329-W438 HydrophobicContact CD1-CG 3.83Å; F329-W438 HydrophobicContact CD2-CB 4.43Å; F329-W438 AromaticContact CD2-CD1 3.79Å; F329-W438 HydrophobicContact CD2-CD2 4.25Å; F329-W438 AromaticContact CD2-CG 3.91Å; F329-W438 HydrophobicContact CD2-CG 3.91Å; F329-W438 HydrophobicContact CE1-CB 3.68Å; F329-W438 HydrophobicContact CE1-CG 4.09Å; F329-W438 HydrophobicContact CE2-CB 4.29Å; F329-W438 HydrophobicContact CE2-CG 4.18Å; F329-W438 HydrophobicContact CG-CB 4.24Å; F329-W438 AromaticContact CG-CD2 3.7Å; F329-W438 HydrophobicContact CG-CD2 3.7Å; F329-W438 AromaticContact CG-CE2 4Å; F329-W438 HydrophobicContact CG-CE3 4.14Å; F329-W438 AromaticContact CG-CG 3.73Å; F329-W438 HydrophobicContact CG-CG 3.73Å; F329-W438 HydrophobicContact CZ-CB 3.92Å; F329-W438 HydrophobicContact CZ-CG 4.27Å
330S98.9Very high98.6Very high4 Ų446.7 Ų46.73%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-137.5146.7174.4-50.30000111.5T32 S33 A345T32-S330 PolarHBondContact O-OG 3.35Å; T32-S330 VanDerWaalsContact O-OG 3.12Å; S33-S330 CarbonylContact O-C 3.44Å; S33-S330 WeakPolarHBondContact O-CA 3.23Å; S33-S330 VanDerWaalsContact O-CB 3.26Å; S33-S330 WeakPolarHBondContact O-CB 3.36Å; S330-A345 PolarHBondContact N-O 3.47Å; S330-A345 PolarHBondContact O-N 3.16Å
331S98.9Very high98.7Very high1 Ų140.5 Ų40.51%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-145.3127.6178.71760000110.1S33 V34 Q50 H51 R344S33-S331 PolarHBondContact O-N 3.39Å; V34-S331 WeakPolarHBondContact CB-O 3.37Å; V34-S331 WeakPolarHBondContact CG2-O 3.47Å; Q50-S331 WeakPolarHBondContact CG-O 3.49Å; Q50-S331 PolarHBondContact NE2-O 3.34Å; Q50-S331 PolarHBondContact NE2-OG 3.19Å; H51-S331 VanDerWaalsContact ND1-CB 3.33Å; H51-S331 WeakPolarHBondContact ND1-CB 3.19Å; H51-S331 PolarHBondContact ND1-OG 2.93Å; S331-R344 WeakPolarHBondContact OG-CD 3.03Å; S331-R344 PolarHBondContact OG-NE 3.1Å; S331-R344 PolarHBondContact OG-NH1 3.29Å
332Q98.9Very high98.7Very high8 Ų834.8 Ų34.84%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-132.5140.5175.2-170.9168.7-60.600109.4V34 S35 T250 L252 P342 M343 R344V34-Q332 HydrophobicContact CG2-CB 3.92Å; V34-Q332 HydrophobicContact CG2-CG 3.84Å; S35-Q332 VanDerWaalsContact N-OE1 3.15Å; S35-Q332 PolarHBondContact O-OE1 2.87Å; T250-Q332 PolarHBondContact O-NE2 2.93Å; L252-Q332 HydrophobicContact CD1-CB 4.5Å; L252-Q332 HydrophobicContact CD2-CB 4.29Å; Q332-P342 CarbonylContact O-C 3.5Å; Q332-P342 WeakPolarHBondContact O-CA 3.47Å; Q332-M343 HydrophobicContact CB-CE 4.39Å; Q332-M343 HydrophobicContact CG-CE 4.47Å; Q332-M343 PolarHBondContact N-O 2.78Å; Q332-M343 VanDerWaalsContact NE2-CE 3.32Å; Q332-M343 PolarHBondContact O-N 3.49Å; Q332-R344 PolarHBondContact O-NH1 2.92Å
333S98.9Very high98.7Very high1 Ų131.6 Ų31.61%0.00717%0.173CC..  trans-116-61176.9-66.40000110.7Q50 Y341Q50-S333 PolarHBondContact NE2-OG 3Å; Q50-S333 PolarHBondContact OE1-OG 2.92Å; S333-Y341 CarbonylContact O-C 3.55Å; S333-Y341 PolarHBondContact O-N 3.37Å
334H98.9Very high98.8Very high28 Ų2829.4 Ų29.413%0.1316%0.163CC..  trans-121.5165.7174.7-59.181.8000110.9Y56 F65 Y340Y56-H334 WeakPolarHBondContact O-CA 3.41Å; Y56-H334 WeakPolarHBondContact O-CB 3.33Å; Y56-H334 PolarHBondContact O-N 3.04Å; F65-H334 HydrophobicContact CE2-CB 4.11Å; F65-H334 HydrophobicContact CZ-CB 4.18Å; F65-H334 AromaticContact CZ-CG 3.86Å; F65-H334 AromaticContact CZ-ND1 3.86Å; H334-Y340 AromaticContact CD2-CD2 3.86Å; H334-Y340 AromaticContact CE1-CD2 3.51Å; H334-Y340 AromaticContact CE1-CE2 3.96Å; H334-Y340 AromaticContact NE2-CD2 3.25Å; H334-Y340 VanDerWaalsContact NE2-CD2 3.25Å; H334-Y340 WeakPolarHBondContact NE2-CD2 3.43Å; H334-Y340 AromaticContact NE2-CG 3.95Å
335H98.8Very high98.8Very high6 Ų623.8 Ų23.83%0.02812%0.124CC..SBendtrans-113-89.9157.7-177.263.1000108S36 G57 L58 T250 M339S36-H335 PolarHBondContact OG-ND1 3.02Å; G57-H335 CarbonylContact C-O 3.57Å; G57-H335 WeakPolarHBondContact CA-O 3.45Å; L58-H335 WeakPolarHBondContact CB-O 3.4Å; L58-H335 VanDerWaalsContact CG-O 3.3Å; L58-H335 WeakPolarHBondContact CG-O 3.46Å; L58-H335 PolarHBondContact N-O 3.3Å; T250-H335 HydrophobicContact CG2-CB 4.39Å; H335-M339 HydrophobicContact CB-CB 4.36Å; H335-M339 HydrophobicContact CB-CE 3.99Å; H335-M339 HydrophobicContact CB-SD 3.94Å
336E98.8Very high98.8Very high12 Ų1221.4 Ų21.46%0.05612%0.115CC..SBendtrans-68.3155.1156.9-57.9176.9-165.200109.3L58 H63 T338 M339 D366 Q367L58-E336 HydrophobicContact CD1-CG 4.02Å; H63-E336 VanDerWaalsContact CE1-CB 3.47Å; H63-E336 WeakPolarHBondContact CE1-CB 3.46Å; H63-E336 VanDerWaalsContact CE1-CG 3.49Å; H63-E336 WeakPolarHBondContact CE1-CG 3.4Å; E336-T338 PolarHBondContact O-N 3.46Å; E336-T338 VanDerWaalsContact O-N 3.13Å; E336-M339 HydrophobicContact CB-CB 4.44Å; E336-M339 HydrophobicContact CB-CG 3.86Å; E336-M339 HydrophobicContact CB-SD 3.75Å; E336-M339 HydrophobicContact CG-CG 4.43Å; E336-M339 HydrophobicContact CG-SD 3.7Å; E336-M339 WeakPolarHBondContact O-CB 3.26Å; E336-M339 PolarHBondContact O-N 2.95Å; E336-D366 WeakPolarHBondContact OE1-CA 3.23Å; E336-D366 WeakPolarHBondContact OE1-CB 3.47Å; E336-Q367 PolarHBondContact OE1-N 2.89Å; E336-Q367 PolarHBondContact OE2-NE2 3.48Å
337V98.7Very high98.8Very high63 Ų6321 Ų2138%0.38211%0.109SC..THydrogen-bonded Turntrans-58.2-27.5178.867.70000113.4H63 F65 M339H63-V337 PolarHBondContact ND1-N 2.65Å; F65-V337 HydrophobicContact CE2-CB 4.08Å; F65-V337 HydrophobicContact CE2-CG2 4.19Å; F65-V337 HydrophobicContact CZ-CG2 4.16Å; V337-M339 VanDerWaalsContact C-N 3.3Å
338T98.7Very high98.8Very high110 Ų11021.2 Ų21.268%0.67511%0.108SC*.THydrogen-bonded Turntrans-78-12.2175.948.50000113.3E336 Y340E336-T338 PolarHBondContact O-N 3.46Å; E336-T338 VanDerWaalsContact O-N 3.13Å; T338-Y340 PolarHBondContact O-N 3.37Å
339M98.8Very high98.7Very high9 Ų925.9 Ų25.94%0.04413%0.129CC..  trans-101.663.5-173.8-60.6176.163.700111.3T250 H335 E336 V337 Y341 P364 D366T250-M339 HydrophobicContact CG2-CE 4.42Å; H335-M339 HydrophobicContact CB-CB 4.36Å; H335-M339 HydrophobicContact CB-CE 3.99Å; H335-M339 HydrophobicContact CB-SD 3.94Å; E336-M339 HydrophobicContact CB-CB 4.44Å; E336-M339 HydrophobicContact CB-CG 3.86Å; E336-M339 HydrophobicContact CB-SD 3.75Å; E336-M339 HydrophobicContact CG-CG 4.43Å; E336-M339 HydrophobicContact CG-SD 3.7Å; E336-M339 WeakPolarHBondContact O-CB 3.26Å; E336-M339 PolarHBondContact O-N 2.95Å; V337-M339 VanDerWaalsContact C-N 3.3Å; M339-Y341 PolarHBondContact O-N 3.01Å; M339-Y341 VanDerWaalsContact O-N 3.11Å; M339-P364 HydrophobicContact CB-CB 3.91Å; M339-P364 HydrophobicContact CB-CG 3.74Å; M339-P364 HydrophobicContact CE-CB 4.04Å; M339-P364 HydrophobicContact CE-CG 3.98Å; M339-P364 HydrophobicContact CG-CB 3.84Å; M339-P364 HydrophobicContact CG-CG 4.18Å; M339-D366 HydrophobicContact CE-CB 3.86Å; M339-D366 VanDerWaalsContact SD-CA 3.56Å; M339-D366 HydrophobicContact SD-CB 3.6Å
340Y98.8Very high98.6Very high102 Ų10227.4 Ų27.440%0.414%0.137SC..  trans-79.590.4176.2-176.2-116.3000111.7H334 T338 P342 N358 W446H334-Y340 AromaticContact CD2-CD2 3.86Å; H334-Y340 AromaticContact CE1-CD2 3.51Å; H334-Y340 AromaticContact CE1-CE2 3.96Å; H334-Y340 AromaticContact NE2-CD2 3.25Å; H334-Y340 VanDerWaalsContact NE2-CD2 3.25Å; H334-Y340 WeakPolarHBondContact NE2-CD2 3.43Å; H334-Y340 AromaticContact NE2-CG 3.95Å; T338-Y340 PolarHBondContact O-N 3.37Å; Y340-P342 HydrophobicContact CD2-CG 3.76Å; Y340-P342 HydrophobicContact CE1-CG 4.2Å; Y340-P342 HydrophobicContact CE2-CG 3.25Å; Y340-P342 HydrophobicContact CG-CG 4.45Å; Y340-N358 PolarHBondContact O-ND2 3.45Å; Y340-W446 HydrophobicContact CE2-CZ2 4.3Å; Y340-W446 AromaticContact CE2-NE1 3.69Å; Y340-W446 AromaticContact CZ-NE1 3.72Å; Y340-W446 PolarHBondContact OH-NE1 3.14Å
341Y98.9Very high98.6Very high4 Ų428.5 Ų28.52%0.01614%0.141CC..  trans-136.676.7174.5-163.4-88.7000110S333 M339 M343 N356 N358 F363S333-Y341 CarbonylContact O-C 3.55Å; S333-Y341 PolarHBondContact O-N 3.37Å; M339-Y341 PolarHBondContact O-N 3.01Å; M339-Y341 VanDerWaalsContact O-N 3.11Å; Y341-M343 HydrophobicContact CD1-CE 4.19Å; Y341-M343 HydrophobicContact CD1-CG 3.74Å; Y341-M343 HydrophobicContact CD1-SD 3.9Å; Y341-M343 HydrophobicContact CE1-CG 3.86Å; Y341-M343 HydrophobicContact CE1-SD 3.93Å; Y341-M343 PolarHBondContact O-N 2.72Å; Y341-N356 HydrophobicContact CE1-CB 4.13Å; Y341-N358 HydrophobicContact CD2-CB 4.3Å; Y341-N358 WeakPolarHBondContact CE2-O 3.42Å; Y341-F363 AromaticContact CD1-CD2 3.61Å; Y341-F363 HydrophobicContact CD1-CD2 3.61Å; Y341-F363 AromaticContact CD1-CE2 3.98Å; Y341-F363 HydrophobicContact CD1-CE2 3.98Å; Y341-F363 HydrophobicContact CD2-CD2 4.49Å; Y341-F363 AromaticContact CE1-CD2 3.66Å; Y341-F363 HydrophobicContact CE1-CD2 3.66Å; Y341-F363 HydrophobicContact CE1-CE2 4.29Å; Y341-F363 HydrophobicContact CE2-CB 4.46Å; Y341-F363 HydrophobicContact CG-CD2 4.05Å
342P98.9Very high98.6Very high1 Ų128.5 Ų28.51%0.00614%0.141CC..  trans-67.7135.2-176.2-19.132.2000111.7Q332 Y340 L357Q332-P342 CarbonylContact O-C 3.5Å; Q332-P342 WeakPolarHBondContact O-CA 3.47Å; Y340-P342 HydrophobicContact CD2-CG 3.76Å; Y340-P342 HydrophobicContact CE1-CG 4.2Å; Y340-P342 HydrophobicContact CE2-CG 3.25Å; Y340-P342 HydrophobicContact CG-CG 4.45Å; P342-L357 HydrophobicContact CB-CB 4.17Å; P342-L357 HydrophobicContact CB-CD2 4.14Å; P342-L357 PolarHBondContact O-N 2.8Å
343M98.9Very high98.6Very high0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-130.9145.9176.8-61.7172.6-78.600110.2T250 L252 Q332 Y341 H355 N356 F363T250-M343 VanDerWaalsContact O-CE 3.29Å; T250-M343 WeakPolarHBondContact O-CE 3.4Å; L252-M343 HydrophobicContact CD1-CB 3.47Å; L252-M343 VanDerWaalsContact CD1-CB 3.47Å; L252-M343 HydrophobicContact CG-CB 3.92Å; L252-M343 HydrophobicContact CG-CE 4.29Å; L252-M343 HydrophobicContact CG-SD 4.35Å; Q332-M343 HydrophobicContact CB-CE 4.39Å; Q332-M343 HydrophobicContact CG-CE 4.47Å; Q332-M343 PolarHBondContact N-O 2.78Å; Q332-M343 VanDerWaalsContact NE2-CE 3.32Å; Q332-M343 PolarHBondContact O-N 3.49Å; Y341-M343 HydrophobicContact CD1-CE 4.19Å; Y341-M343 HydrophobicContact CD1-CG 3.74Å; Y341-M343 HydrophobicContact CD1-SD 3.9Å; Y341-M343 HydrophobicContact CE1-CG 3.86Å; Y341-M343 HydrophobicContact CE1-SD 3.93Å; Y341-M343 PolarHBondContact O-N 2.72Å; M343-H355 CarbonylContact C-O 3.52Å; M343-H355 VanDerWaalsContact CA-O 3.25Å; M343-H355 WeakPolarHBondContact CA-O 3.44Å; M343-N356 WeakPolarHBondContact CG-OD1 3.36Å; M343-F363 HydrophobicContact CE-CE2 4Å; M343-F363 HydrophobicContact SD-CE2 4.29Å
344R98.9Very high98.6Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-128.6136.5171.9-60.3-65.7178.9-82.7-0108.3S331 Q332 I354 H355 L357 L435 D444S331-R344 WeakPolarHBondContact OG-CD 3.03Å; S331-R344 PolarHBondContact OG-NE 3.1Å; S331-R344 PolarHBondContact OG-NH1 3.29Å; Q332-R344 PolarHBondContact O-NH1 2.92Å; R344-I354 CarbonylContact O-C 3.57Å; R344-I354 WeakPolarHBondContact O-CA 3.4Å; R344-H355 HydrophobicContact CB-CB 4.31Å; R344-H355 PolarHBondContact N-O 2.71Å; R344-H355 PolarHBondContact O-N 3.28Å; R344-L357 HydrophobicContact CG-CD1 4.1Å; R344-L435 HydrophobicContact CB-CD1 4.18Å; R344-L435 HydrophobicContact CB-CD2 3.96Å; R344-L435 HydrophobicContact CB-CG 4.34Å; R344-D444 IonicContact CZ-OD1 3.48Å; R344-D444 IonicContact CZ-OD2 3.53Å; R344-D444 IonicContact NE-OD1 2.78Å; R344-D444 IonicContact NE-OD2 3.5Å; R344-D444 PolarHBondContact NE-OD2 2.81Å; R344-D444 IonicContact NH2-OD1 2.71Å; R344-D444 PolarHBondContact NH2-OD1 3.05Å; R344-D444 IonicContact NH2-OD2 3.77Å; R344-D444 PolarHBondContact NH2-OD2 3.26Å
345A98.9Very high98.6Very high1 Ų127.3 Ų27.31%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-143151.7-178.100000112.7L252 F329 S330 L353 I354L252-A345 HydrophobicContact CB-CB 4.04Å; L252-A345 HydrophobicContact CD1-CB 3.86Å; F329-A345 WeakPolarHBondContact CA-O 3.49Å; S330-A345 PolarHBondContact N-O 3.47Å; S330-A345 PolarHBondContact O-N 3.16Å; A345-L353 CarbonylContact C-O 3.2Å; A345-L353 WeakPolarHBondContact CA-O 3.28Å; A345-L353 WeakPolarHBondContact CB-O 3.48Å; A345-I354 HydrophobicContact CB-CG1 4.08Å
346I98.9Very high98.6Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-130.9131.1170.2-178.6-179000108T327 A328 F329 R352 L353 L431 Q434 L435T327-I346 HydrophobicContact CG2-CD1 3.87Å; T327-I346 HydrophobicContact CG2-CG1 3.83Å; A328-I346 WeakPolarHBondContact O-CA 3.19Å; F329-I346 HydrophobicContact CD1-CB 3.89Å; F329-I346 HydrophobicContact CD1-CD1 4.23Å; F329-I346 HydrophobicContact CD1-CG1 3.87Å; F329-I346 HydrophobicContact CE1-CB 3.98Å; F329-I346 HydrophobicContact CE1-CD1 3.46Å; F329-I346 VanDerWaalsContact CE1-CD1 3.46Å; F329-I346 HydrophobicContact CE1-CG1 3.62Å; F329-I346 HydrophobicContact CZ-CD1 3.9Å; F329-I346 HydrophobicContact CZ-CG1 4.26Å; I346-R352 WeakPolarHBondContact O-CA 3.24Å; I346-L353 HydrophobicContact CG2-CB 3.83Å; I346-L353 HydrophobicContact CG2-CD2 4.48Å; I346-L353 PolarHBondContact N-O 2.8Å; I346-L353 PolarHBondContact O-N 3.46Å; I346-L431 HydrophobicContact CD1-CD2 4.11Å; I346-L431 HydrophobicContact CG2-CB 3.9Å; I346-L431 HydrophobicContact CG2-CD2 4.49Å; I346-Q434 HydrophobicContact CD1-CB 3.58Å; I346-L435 HydrophobicContact CB-CB 4.39Å; I346-L435 HydrophobicContact CB-CD1 4.34Å; I346-L435 HydrophobicContact CG2-CB 4.07Å
347Q98.4Very high98.6Very high10 Ų1027 Ų275%0.04714%0.135CC..EExtended strand (participates in β ladder)trans-104.5122.5163.7-179.576.439.700107.5F31 F279 T327 A328 Q349 F351 R352F31-Q347 HydrophobicContact CE2-CG 4.44Å; F31-Q347 HydrophobicContact CZ-CG 4.3Å; F279-Q347 HydrophobicContact CD1-CG 4.13Å; F279-Q347 HydrophobicContact CE1-CG 3.53Å; T327-Q347 CarbonylContact C-O 3.47Å; T327-Q347 VanDerWaalsContact CA-O 3.26Å; T327-Q347 WeakPolarHBondContact CA-O 3.4Å; A328-Q347 PolarHBondContact N-O 2.82Å; A328-Q347 PolarHBondContact O-N 2.81Å; Q347-Q349 PolarHBondContact NE2-O 2.9Å; Q347-F351 CarbonylContact C-O 3.49Å; Q347-F351 WeakPolarHBondContact CA-O 3.37Å; Q347-F351 PolarHBondContact NE2-O 3.5Å; Q347-R352 VanDerWaalsContact OE1-CB 3.31Å
348H98.3Very high98.6Very high43 Ų4326.3 Ų26.320%0.19913%0.128CC..EExtended strand (participates in β ladder)trans-128.9112172.3-176.368.9000109.8A326 T327 Q350 F351 L431A326-H348 CarbonylContact O-C 3.47Å; A326-H348 VanDerWaalsContact O-CA 3.29Å; A326-H348 WeakPolarHBondContact O-CA 3.5Å; T327-H348 PolarHBondContact OG1-ND1 2.99Å; H348-Q350 PolarHBondContact O-N 2.78Å; H348-F351 PolarHBondContact N-O 2.66Å; H348-F351 PolarHBondContact O-N 3.27Å; H348-L431 HydrophobicContact CB-CD2 3.5Å; H348-L431 VanDerWaalsContact CB-CD2 3.5Å
349Q96.5Very high98.6Very high101 Ų10123.5 Ų23.547%0.47211%0.106SC..THydrogen-bonded Turntrans50.5-123.1-172.6-57.5-178.4-2500110.5F279 A326 Q347 F351F279-Q349 VanDerWaalsContact CZ-O 3.28Å; F279-Q349 WeakPolarHBondContact CZ-O 3.46Å; A326-Q349 HydrophobicContact CB-CG 3.79Å; A326-Q349 PolarHBondContact O-N 3.5Å; Q347-Q349 PolarHBondContact NE2-O 2.9Å; Q349-F351 VanDerWaalsContact C-N 3.33Å
350Q96.3Very high98.6Very high71 Ų7129.8 Ų29.833%0.33213%0.129SC..THydrogen-bonded Turntrans-76.4-14.1177.869.9-92.432.600114.7H348 D407 C408H348-Q350 PolarHBondContact O-N 2.78Å; Q350-D407 WeakPolarHBondContact CG-OD1 3.48Å; Q350-C408 WeakPolarHBondContact O-CB 3.4Å; Q350-C408 PolarHBondContact O-N 3.07Å
351F98.6Very high98.6Very high27 Ų2730 Ų3012%0.11814%0.135CC..EExtended strand (participates in β ladder)trans-95.7134.9-172.4-66.2-74.4000112.6Q347 H348 Q349 L405 F406 D407 Y424 V427 L431Q347-F351 CarbonylContact C-O 3.49Å; Q347-F351 WeakPolarHBondContact CA-O 3.37Å; Q347-F351 PolarHBondContact NE2-O 3.5Å; H348-F351 PolarHBondContact N-O 2.66Å; H348-F351 PolarHBondContact O-N 3.27Å; Q349-F351 VanDerWaalsContact C-N 3.33Å; F351-L405 HydrophobicContact CD1-CD1 4.46Å; F351-F406 VanDerWaalsContact CA-O 3.3Å; F351-F406 WeakPolarHBondContact CA-O 3.21Å; F351-D407 HydrophobicContact CD1-CB 4.08Å; F351-D407 HydrophobicContact CE1-CB 3.76Å; F351-Y424 HydrophobicContact CE1-CD1 4.03Å; F351-Y424 AromaticContact CE1-CE1 3.91Å; F351-Y424 HydrophobicContact CE1-CE1 3.91Å; F351-Y424 HydrophobicContact CZ-CE1 4.32Å; F351-V427 HydrophobicContact CB-CG1 4.36Å; F351-V427 HydrophobicContact CD1-CG1 4.02Å; F351-V427 HydrophobicContact CD2-CG1 3.91Å; F351-V427 HydrophobicContact CE1-CG1 4.27Å; F351-V427 HydrophobicContact CE2-CG1 4.18Å; F351-V427 HydrophobicContact CG-CG1 3.83Å; F351-V427 HydrophobicContact CZ-CG1 4.35Å; F351-V427 HydrophobicContact CZ-CG2 4.5Å; F351-L431 HydrophobicContact CB-CD1 3.72Å
352R98.8Very high98.6Very high2 Ų232.3 Ų32.31%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-116.2129.5168.7-172171.5-67-105.9-13.2110.2L252 T257 I346 Q347 I354 L405 F406 E414L252-R352 PolarHBondContact O-NH1 3.33Å; T257-R352 PolarHBondContact OG1-NH1 3.49Å; I346-R352 WeakPolarHBondContact O-CA 3.24Å; Q347-R352 VanDerWaalsContact OE1-CB 3.31Å; R352-I354 HydrophobicContact CG-CD1 4.47Å; R352-I354 HydrophobicContact CG-CG1 4.01Å; R352-L405 CarbonylContact O-C 3.46Å; R352-L405 VanDerWaalsContact O-CA 3.3Å; R352-L405 WeakPolarHBondContact O-CA 3.33Å; R352-L405 WeakPolarHBondContact O-CD1 3.22Å; R352-F406 PolarHBondContact N-O 2.84Å; R352-F406 PolarHBondContact O-N 2.89Å; R352-E414 WeakPolarHBondContact CD-OE1 3.45Å; R352-E414 IonicContact NE-OE1 3.81Å; R352-E414 PolarHBondContact NE-OE1 3.41Å
353L98.9Very high98.6Very high0 Ų032.5 Ų32.50%015%0.151CC..EExtended strand (participates in β ladder)trans-114.3129.8167.3-179.967.8000109.4A345 I346 W403 E404 L405 F428 L431 R432A345-L353 CarbonylContact C-O 3.2Å; A345-L353 WeakPolarHBondContact CA-O 3.28Å; A345-L353 WeakPolarHBondContact CB-O 3.48Å; I346-L353 HydrophobicContact CG2-CB 3.83Å; I346-L353 HydrophobicContact CG2-CD2 4.48Å; I346-L353 PolarHBondContact N-O 2.8Å; I346-L353 PolarHBondContact O-N 3.46Å; L353-W403 HydrophobicContact CD1-CE3 3.85Å; L353-W403 HydrophobicContact CD1-CZ3 4.43Å; L353-W403 HydrophobicContact CD2-CE3 4.17Å; L353-W403 HydrophobicContact CD2-CZ3 3.93Å; L353-W403 HydrophobicContact CG-CE3 4.07Å; L353-W403 HydrophobicContact CG-CZ3 4.18Å; L353-E404 CarbonylContact C-O 3.55Å; L353-E404 WeakPolarHBondContact CA-O 3.46Å; L353-L405 HydrophobicContact CB-CD1 4.32Å; L353-L405 HydrophobicContact CD1-CB 4.12Å; L353-L405 HydrophobicContact CD1-CD1 4.41Å; L353-F428 HydrophobicContact CD1-CD2 3.74Å; L353-F428 HydrophobicContact CD1-CE2 3.73Å; L353-L431 HydrophobicContact CB-CB 4.04Å; L353-L431 HydrophobicContact CB-CD1 4.06Å; L353-L431 HydrophobicContact CD2-CB 3.76Å; L353-R432 HydrophobicContact CD2-CB 4.08Å
354I98.9Very high98.5Very high2 Ų233.9 Ų33.91%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-120.5132.1174.3-50.9177.6000108.8L252 Y253 R344 A345 R352 W403 E404 F406L252-I354 HydrophobicContact CB-CD1 4.49Å; L252-I354 HydrophobicContact CB-CG2 4.46Å; L252-I354 WeakPolarHBondContact O-CD1 3.26Å; Y253-I354 HydrophobicContact CD1-CD1 3.68Å; Y253-I354 HydrophobicContact CE1-CD1 3.99Å; R344-I354 CarbonylContact O-C 3.57Å; R344-I354 WeakPolarHBondContact O-CA 3.4Å; A345-I354 HydrophobicContact CB-CG1 4.08Å; R352-I354 HydrophobicContact CG-CD1 4.47Å; R352-I354 HydrophobicContact CG-CG1 4.01Å; I354-W403 WeakPolarHBondContact O-CA 3.34Å; I354-E404 HydrophobicContact CB-CB 4.3Å; I354-E404 PolarHBondContact N-O 3.08Å; I354-E404 PolarHBondContact O-N 2.95Å; I354-F406 HydrophobicContact CD1-CE2 4.28Å
355H98.9Very high98.5Very high10 Ų1035.6 Ų35.65%0.04617%0.169CC..EExtended strand (participates in β ladder)trans-107.6112.6170.5-173.8-163.8000109M343 R344 L357 R402 W403M343-H355 CarbonylContact C-O 3.52Å; M343-H355 VanDerWaalsContact CA-O 3.25Å; M343-H355 WeakPolarHBondContact CA-O 3.44Å; R344-H355 HydrophobicContact CB-CB 4.31Å; R344-H355 PolarHBondContact N-O 2.71Å; R344-H355 PolarHBondContact O-N 3.28Å; H355-L357 HydrophobicContact CB-CD1 4.28Å; H355-L357 WeakPolarHBondContact O-CD1 3.47Å; H355-R402 CarbonylContact C-O 3.55Å; H355-R402 WeakPolarHBondContact CA-O 3.43Å; H355-R402 PolarHBondContact CD2-O 3.47Å; H355-W403 HydrophobicContact CB-CD2 4.44Å; H355-W403 HydrophobicContact CB-CE3 3.75Å; H355-W403 HydrophobicContact CB-CH2 3.71Å; H355-W403 HydrophobicContact CB-CZ2 4.39Å; H355-W403 HydrophobicContact CB-CZ3 3.38Å; H355-W403 AromaticContact CD2-CE2 3.91Å; H355-W403 AromaticContact CD2-CZ2 3.82Å; H355-W403 AromaticContact CE1-CZ2 3.99Å; H355-W403 AromaticContact CG-CH2 3.44Å; H355-W403 VanDerWaalsContact CG-CH2 3.44Å; H355-W403 AromaticContact CG-CZ2 3.72Å; H355-W403 AromaticContact CG-CZ3 3.65Å; H355-W403 AromaticContact ND1-CH2 3.55Å; H355-W403 AromaticContact ND1-CZ2 3.83Å; H355-W403 AromaticContact NE2-CZ2 4Å
356N98.9Very high98.5Very high0 Ų035.7 Ų35.70%017%0.169CC..EExtended strand (participates in β ladder)trans-92.1103.1173.5-60.7-57.4000108.7Y341 M343 N358 Y359 D401 R402 E404Y341-N356 HydrophobicContact CE1-CB 4.13Å; M343-N356 WeakPolarHBondContact CG-OD1 3.36Å; N356-N358 VanDerWaalsContact C-N 3.33Å; N356-N358 PolarHBondContact O-N 3.5Å; N356-Y359 WeakPolarHBondContact O-CB 3.38Å; N356-D401 PolarHBondContact ND2-O 3.35Å; N356-R402 PolarHBondContact N-O 3.35Å; N356-E404 PolarHBondContact ND2-OE2 3.12Å
357L98.9Very high98.5Very high12 Ų1240.7 Ų40.76%0.06319%0.193CC..THydrogen-bonded Turntrans-70.1-32.9-173.6-80.266.4000111.8P342 R344 H355 W446 A449 P450P342-L357 HydrophobicContact CB-CB 4.17Å; P342-L357 HydrophobicContact CB-CD2 4.14Å; P342-L357 PolarHBondContact O-N 2.8Å; R344-L357 HydrophobicContact CG-CD1 4.1Å; H355-L357 HydrophobicContact CB-CD1 4.28Å; H355-L357 WeakPolarHBondContact O-CD1 3.47Å; L357-W446 HydrophobicContact CD2-CB 3.79Å; L357-W446 HydrophobicContact CD2-CG 4.24Å; L357-A449 HydrophobicContact CD2-CB 3.88Å; L357-P450 WeakPolarHBondContact O-CB 3.36Å; L357-P450 WeakPolarHBondContact O-CG 3.3Å
358N98.7Very high98.5Very high47 Ų4742.4 Ų42.425%0.25120%0.202SC..THydrogen-bonded Turntrans-106.833.6-179.2-159.419.9000112.9Y340 Y341 N356 R360 M361Y340-N358 PolarHBondContact O-ND2 3.45Å; Y341-N358 HydrophobicContact CD2-CB 4.3Å; Y341-N358 WeakPolarHBondContact CE2-O 3.42Å; N356-N358 VanDerWaalsContact C-N 3.33Å; N356-N358 PolarHBondContact O-N 3.5Å; N358-R360 PolarHBondContact O-N 2.85Å; N358-R360 VanDerWaalsContact O-N 3.11Å; N358-M361 PolarHBondContact O-N 3.16Å; N358-M361 WeakPolarHBondContact OD1-CG 3.29Å
359Y98.8Very high98.5Very high51 Ų5140.6 Ų40.620%0.219%0.194CC..THydrogen-bonded Turntrans-59.8-23.7-169.777.6-76.7000115.8N356 M361 R402 L469N356-Y359 WeakPolarHBondContact O-CB 3.38Å; Y359-M361 PolarHBondContact O-N 3.08Å; Y359-R402 HydrophobicContact CD1-CB 3.62Å; Y359-R402 HydrophobicContact CD1-CG 3.87Å; Y359-R402 HydrophobicContact CD2-CB 4Å; Y359-R402 HydrophobicContact CE1-CB 3.76Å; Y359-R402 HydrophobicContact CE1-CG 3.99Å; Y359-R402 HydrophobicContact CE2-CB 4.11Å; Y359-R402 HydrophobicContact CG-CB 3.75Å; Y359-R402 HydrophobicContact CG-CG 4.45Å; Y359-L469 HydrophobicContact CE1-CD2 3.69Å; Y359-L469 VanDerWaalsContact OH-CD2 3.23Å; Y359-L469 WeakPolarHBondContact OH-CD2 3.48Å
360R98.5Very high98.6Very high141 Ų14140.5 Ų40.553%0.53219%0.19SC..THydrogen-bonded Turntrans-70.7-19.3176.6-68.4-172.2176179-1.4112.9N358 E468 L469N358-R360 PolarHBondContact O-N 2.85Å; N358-R360 VanDerWaalsContact O-N 3.11Å; R360-E468 PolarHBondContact NH2-O 3.37Å; R360-L469 VanDerWaalsContact CZ-CD2 3.42Å
361M98.7Very high98.7Very high106 Ų10640.4 Ų40.452%0.52219%0.191SC..SBendtrans-93.5150.8173.7-64.3-59.3-70.500110.3N358 Y359N358-M361 PolarHBondContact O-N 3.16Å; N358-M361 WeakPolarHBondContact OD1-CG 3.29Å; Y359-M361 PolarHBondContact O-N 3.08Å
362P98.8Very high98.7Very high53 Ų5339.3 Ų39.334%0.34419%0.187SC..PPolyproline II helixtrans-63.9140.4175.227.9-34.9000110.9Y398 Y399P362-Y398 CarbonylContact C-O 3.57Å; P362-Y398 WeakPolarHBondContact CA-O 3.48Å; P362-Y398 HydrophobicContact CB-CG 4.4Å; P362-Y399 HydrophobicContact CB-CE1 4.02Å; P362-Y399 HydrophobicContact CG-CE1 4.47Å
363F98.9Very high98.7Very high5 Ų542 Ų422%0.02221%0.205CC..PPolyproline II helixtrans-55.5126.5171.1-176-94.6000110.3T250 Y341 M343 I365 Y397 Y398 R400T250-F363 WeakPolarHBondContact O-CZ 3.29Å; T250-F363 WeakPolarHBondContact OG1-CZ 3.4Å; Y341-F363 AromaticContact CD1-CD2 3.61Å; Y341-F363 HydrophobicContact CD1-CD2 3.61Å; Y341-F363 AromaticContact CD1-CE2 3.98Å; Y341-F363 HydrophobicContact CD1-CE2 3.98Å; Y341-F363 HydrophobicContact CD2-CD2 4.49Å; Y341-F363 AromaticContact CE1-CD2 3.66Å; Y341-F363 HydrophobicContact CE1-CD2 3.66Å; Y341-F363 HydrophobicContact CE1-CE2 4.29Å; Y341-F363 HydrophobicContact CE2-CB 4.46Å; Y341-F363 HydrophobicContact CG-CD2 4.05Å; M343-F363 HydrophobicContact CE-CE2 4Å; M343-F363 HydrophobicContact SD-CE2 4.29Å; F363-I365 HydrophobicContact CD1-CD1 4.37Å; F363-Y397 WeakPolarHBondContact CB-O 3.22Å; F363-Y397 HydrophobicContact CD1-CD1 4.32Å; F363-Y397 AromaticContact CD1-CE1 3.64Å; F363-Y397 HydrophobicContact CD1-CE1 3.64Å; F363-Y397 AromaticContact CD1-CZ 3.93Å; F363-Y397 AromaticContact CE1-CE1 3.95Å; F363-Y397 HydrophobicContact CE1-CE1 3.95Å; F363-Y397 AromaticContact CE1-CZ 3.86Å; F363-Y397 WeakPolarHBondContact CE1-OH 3.19Å; F363-Y398 PolarHBondContact N-O 2.7Å; F363-Y398 WeakPolarHBondContact O-CD1 3.45Å; F363-R400 VanDerWaalsContact CD2-NH2 3.29Å
364P98.8Very high98.7Very high30 Ų3042 Ų4220%0.19521%0.205CC..PPolyproline II helixtrans-76.3155.5-176.431.6-35.8000112.2M339M339-P364 HydrophobicContact CB-CB 3.91Å; M339-P364 HydrophobicContact CB-CG 3.74Å; M339-P364 HydrophobicContact CE-CB 4.04Å; M339-P364 HydrophobicContact CE-CG 3.98Å; M339-P364 HydrophobicContact CG-CB 3.84Å; M339-P364 HydrophobicContact CG-CG 4.18Å
365I98.8Very high98.7Very high36 Ų3642 Ų4219%0.18520%0.204CC..  trans-117.2129176.6-55.6-63.3000108.3F363 F369 Y370 F375 Y397 Y398F363-I365 HydrophobicContact CD1-CD1 4.37Å; I365-F369 HydrophobicContact CG2-CD1 4.01Å; I365-Y370 HydrophobicContact CG2-CD2 4.35Å; I365-F375 HydrophobicContact CB-CZ 4.48Å; I365-F375 HydrophobicContact CD1-CE2 3.91Å; I365-F375 HydrophobicContact CD1-CZ 3.94Å; I365-F375 HydrophobicContact CG1-CE2 4.29Å; I365-F375 HydrophobicContact CG1-CZ 3.8Å; I365-F375 HydrophobicContact CG2-CE1 4.07Å; I365-F375 HydrophobicContact CG2-CE2 4.41Å; I365-F375 HydrophobicContact CG2-CZ 4Å; I365-Y397 HydrophobicContact CD1-CD1 4.34Å; I365-Y397 HydrophobicContact CD1-CE1 3.67Å; I365-Y398 HydrophobicContact CD1-CE1 3.93Å; I365-Y398 HydrophobicContact CG1-CE1 3.8Å
366D98.6Very high98.6Very high2 Ų244.2 Ų44.21%0.01122%0.215CC..  trans-73.2153.617764.3-83.4000112.4R249 E336 M339 D368 F369 Y370R249-D366 IonicContact CZ-OD2 2.87Å; R249-D366 IonicContact NH2-OD1 2.8Å; R249-D366 IonicContact NH2-OD2 2.69Å; R249-D366 PolarHBondContact NH2-OD2 3.47Å; E336-D366 WeakPolarHBondContact OE1-CA 3.23Å; E336-D366 WeakPolarHBondContact OE1-CB 3.47Å; M339-D366 HydrophobicContact CE-CB 3.86Å; M339-D366 VanDerWaalsContact SD-CA 3.56Å; M339-D366 HydrophobicContact SD-CB 3.6Å; D366-D368 VanDerWaalsContact C-N 3.34Å; D366-D368 PolarHBondContact O-N 3.5Å; D366-D368 WeakPolarHBondContact OD2-CB 3.3Å; D366-F369 VanDerWaalsContact CG-CB 3.49Å; D366-F369 PolarHBondContact O-N 3.38Å; D366-F369 VanDerWaalsContact OD1-CB 3.24Å; D366-F369 WeakPolarHBondContact OD1-CB 3.41Å; D366-F369 WeakPolarHBondContact OD2-CB 3.43Å; D366-F369 PolarHBondContact OD2-N 2.91Å; D366-Y370 WeakPolarHBondContact O-CB 3.41Å; D366-Y370 PolarHBondContact O-N 3.16Å
367Q98.6Very high98.6Very high105 Ų10545.7 Ų45.749%0.49122%0.223SC..Hα-helixtrans-64.2-39.3-173.1-65.7173.661.200112.1E336E336-Q367 PolarHBondContact OE1-N 2.89Å; E336-Q367 PolarHBondContact OE2-NE2 3.48Å
368D97.4Very high98.6Very high47 Ų4745.1 Ų45.125%0.25122%0.22SC..Hα-helixtrans-62.2-46.7177.7-84.80.9000111.6H148 H152 D366 I371H148-D368 IonicContact CE1-OD2 3.45Å; H148-D368 PolarHBondContact CE1-OD2 2.97Å; H152-D368 WeakPolarHBondContact CB-OD1 3.42Å; H152-D368 IonicContact CD2-OD1 3.8Å; H152-D368 PolarHBondContact CD2-OD1 2.71Å; H152-D368 IonicContact CG-OD1 3.75Å; D366-D368 VanDerWaalsContact C-N 3.34Å; D366-D368 PolarHBondContact O-N 3.5Å; D366-D368 WeakPolarHBondContact OD2-CB 3.3Å; D368-I371 WeakPolarHBondContact O-CG1 3.45Å
369F98.6Very high98.6Very high5 Ų543.5 Ų43.52%0.02221%0.211CC..Hα-helixtrans-75.4-35-178.9179.5-125.9000112.4P246 I365 D366 I371 S372 F375P246-F369 HydrophobicContact CB-CZ 4.42Å; P246-F369 HydrophobicContact CG-CZ 3.82Å; I365-F369 HydrophobicContact CG2-CD1 4.01Å; D366-F369 VanDerWaalsContact CG-CB 3.49Å; D366-F369 PolarHBondContact O-N 3.38Å; D366-F369 VanDerWaalsContact OD1-CB 3.24Å; D366-F369 WeakPolarHBondContact OD1-CB 3.41Å; D366-F369 WeakPolarHBondContact OD2-CB 3.43Å; D366-F369 PolarHBondContact OD2-N 2.91Å; F369-I371 PolarHBondContact O-N 2.87Å; F369-S372 WeakPolarHBondContact CD2-OG 3.36Å; F369-S372 WeakPolarHBondContact CE2-OG 3.35Å; F369-S372 VanDerWaalsContact O-CB 3.22Å; F369-S372 WeakPolarHBondContact O-CB 3.5Å; F369-S372 PolarHBondContact O-N 2.96Å; F369-S372 PolarHBondContact O-OG 3.48Å; F369-F375 HydrophobicContact CD1-CD2 4.22Å; F369-F375 HydrophobicContact CE1-CB 4.24Å; F369-F375 AromaticContact CE1-CD2 3.43Å; F369-F375 HydrophobicContact CE1-CD2 3.43Å; F369-F375 VanDerWaalsContact CE1-CD2 3.43Å; F369-F375 HydrophobicContact CE1-CE2 4.05Å; F369-F375 HydrophobicContact CE1-CG 4.04Å; F369-F375 HydrophobicContact CE2-CB 4.05Å; F369-F375 HydrophobicContact CZ-CB 3.89Å; F369-F375 AromaticContact CZ-CD2 3.66Å; F369-F375 HydrophobicContact CZ-CD2 3.66Å; F369-F375 HydrophobicContact CZ-CG 4.14Å; F369-F375 WeakPolarHBondContact O-CB 3.27Å
370Y98.8Very high98.6Very high98 Ų9845.1 Ų45.138%0.38422%0.223SC..Hα-helixtrans-53-43.8179.4178.4-94.7000111.8I365 D366 S372 F375 Q376 L379I365-Y370 HydrophobicContact CG2-CD2 4.35Å; D366-Y370 WeakPolarHBondContact O-CB 3.41Å; D366-Y370 PolarHBondContact O-N 3.16Å; Y370-S372 VanDerWaalsContact C-N 3.28Å; Y370-S372 PolarHBondContact O-N 3.27Å; Y370-F375 AromaticContact CD2-CD1 4Å; Y370-F375 HydrophobicContact CD2-CD1 4Å; Y370-F375 AromaticContact CD2-CE1 3.61Å; Y370-F375 HydrophobicContact CD2-CE1 3.61Å; Y370-F375 HydrophobicContact CE2-CE1 4.03Å; Y370-F375 HydrophobicContact CG-CD1 4.49Å; Y370-F375 HydrophobicContact CG-CE1 4.48Å; Y370-F375 WeakPolarHBondContact O-CD1 3.32Å; Y370-Q376 PolarHBondContact O-NE2 3.38Å; Y370-L379 HydrophobicContact CE2-CD2 4.01Å
371I98.3Very high98.7Very high70 Ų7040.7 Ų40.736%0.35921%0.206SC..THydrogen-bonded Turntrans-82.9-1.2-17865.1156.7000113.9H152 D368 F369H152-I371 HydrophobicContact CB-CD1 3.58Å; H152-I371 HydrophobicContact CB-CG1 4.39Å; D368-I371 WeakPolarHBondContact O-CG1 3.45Å; F369-I371 PolarHBondContact O-N 2.87Å
372S98.7Very high98.7Very high4 Ų438.2 Ų38.23%0.02820%0.198CC..SBendtrans-60.7143.6179.5670000110.8F369 Y370 T374 F375 Q376F369-S372 WeakPolarHBondContact CD2-OG 3.36Å; F369-S372 WeakPolarHBondContact CE2-OG 3.35Å; F369-S372 VanDerWaalsContact O-CB 3.22Å; F369-S372 WeakPolarHBondContact O-CB 3.5Å; F369-S372 PolarHBondContact O-N 2.96Å; F369-S372 PolarHBondContact O-OG 3.48Å; Y370-S372 VanDerWaalsContact C-N 3.28Å; Y370-S372 PolarHBondContact O-N 3.27Å; S372-T374 PolarHBondContact O-N 3.4Å; S372-F375 PolarHBondContact O-N 2.84Å; S372-F375 VanDerWaalsContact O-N 3.14Å; S372-F375 VanDerWaalsContact OG-CB 3.27Å; S372-F375 WeakPolarHBondContact OG-CB 3.49Å; S372-F375 PolarHBondContact OG-N 3.07Å; S372-F375 VanDerWaalsContact OG-N 3.13Å; S372-Q376 WeakPolarHBondContact O-CG 3.49Å; S372-Q376 PolarHBondContact O-N 2.85Å
373P98.6Very high98.6Very high59 Ų5943.8 Ų43.838%0.38321%0.212SC..Hα-helixtrans-53.2-40.1175.8-27.135.2000112.3D377P373-D377 WeakPolarHBondContact O-CB 3.33Å; P373-D377 PolarHBondContact O-N 3.34Å
374T98.8Very high98.6Very high0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-60.7-49.8177.2-58.70000112.6V193 P194 A199 D202 F245 P246 S372 L378V193-T374 HydrophobicContact CG1-CG2 4.5Å; P194-T374 HydrophobicContact CG-CG2 4.24Å; A199-T374 WeakPolarHBondContact CA-OG1 3.4Å; A199-T374 HydrophobicContact CB-CG2 3.95Å; D202-T374 PolarHBondContact OD2-OG1 2.82Å; F245-T374 HydrophobicContact CD1-CG2 4.02Å; F245-T374 HydrophobicContact CE1-CG2 4.46Å; F245-T374 WeakPolarHBondContact CE1-OG1 3.35Å; P246-T374 HydrophobicContact CG-CG2 4.2Å; S372-T374 PolarHBondContact O-N 3.4Å; T374-L378 WeakPolarHBondContact O-CB 3.49Å; T374-L378 PolarHBondContact O-N 2.86Å
375F98.8Very high98.6Very high1 Ų148.5 Ų48.50%0.00426%0.261CS..Hα-helixtrans-71.2-36.8-178-169-99.7000112.2I365 F369 Y370 S372 L378 L379 L394I365-F375 HydrophobicContact CB-CZ 4.48Å; I365-F375 HydrophobicContact CD1-CE2 3.91Å; I365-F375 HydrophobicContact CD1-CZ 3.94Å; I365-F375 HydrophobicContact CG1-CE2 4.29Å; I365-F375 HydrophobicContact CG1-CZ 3.8Å; I365-F375 HydrophobicContact CG2-CE1 4.07Å; I365-F375 HydrophobicContact CG2-CE2 4.41Å; I365-F375 HydrophobicContact CG2-CZ 4Å; F369-F375 HydrophobicContact CD1-CD2 4.22Å; F369-F375 HydrophobicContact CE1-CB 4.24Å; F369-F375 AromaticContact CE1-CD2 3.43Å; F369-F375 HydrophobicContact CE1-CD2 3.43Å; F369-F375 VanDerWaalsContact CE1-CD2 3.43Å; F369-F375 HydrophobicContact CE1-CE2 4.05Å; F369-F375 HydrophobicContact CE1-CG 4.04Å; F369-F375 HydrophobicContact CE2-CB 4.05Å; F369-F375 HydrophobicContact CZ-CB 3.89Å; F369-F375 AromaticContact CZ-CD2 3.66Å; F369-F375 HydrophobicContact CZ-CD2 3.66Å; F369-F375 HydrophobicContact CZ-CG 4.14Å; F369-F375 WeakPolarHBondContact O-CB 3.27Å; Y370-F375 AromaticContact CD2-CD1 4Å; Y370-F375 HydrophobicContact CD2-CD1 4Å; Y370-F375 AromaticContact CD2-CE1 3.61Å; Y370-F375 HydrophobicContact CD2-CE1 3.61Å; Y370-F375 HydrophobicContact CE2-CE1 4.03Å; Y370-F375 HydrophobicContact CG-CD1 4.49Å; Y370-F375 HydrophobicContact CG-CE1 4.48Å; Y370-F375 WeakPolarHBondContact O-CD1 3.32Å; S372-F375 PolarHBondContact O-N 2.84Å; S372-F375 VanDerWaalsContact O-N 3.14Å; S372-F375 VanDerWaalsContact OG-CB 3.27Å; S372-F375 WeakPolarHBondContact OG-CB 3.49Å; S372-F375 PolarHBondContact OG-N 3.07Å; S372-F375 VanDerWaalsContact OG-N 3.13Å; F375-L378 HydrophobicContact CD2-CD2 4.43Å; F375-L378 PolarHBondContact O-N 3.41Å; F375-L379 HydrophobicContact CE1-CD2 4.37Å; F375-L379 VanDerWaalsContact O-CB 3.27Å; F375-L379 WeakPolarHBondContact O-CB 3.41Å; F375-L379 PolarHBondContact O-N 2.71Å; F375-L394 HydrophobicContact CE2-CD2 4.11Å; F375-L394 HydrophobicContact CZ-CD2 4.48Å
376Q98.8Very high98.6Very high56 Ų5652 Ų5226%0.26228%0.276SS..Hα-helixtrans-62.9-43.7175.3-71.2-63.1-5600112.1Y370 S372 L379 N380Y370-Q376 PolarHBondContact O-NE2 3.38Å; S372-Q376 WeakPolarHBondContact O-CG 3.49Å; S372-Q376 PolarHBondContact O-N 2.85Å; Q376-L379 PolarHBondContact O-N 3.05Å; Q376-N380 VanDerWaalsContact O-CB 3.31Å; Q376-N380 WeakPolarHBondContact O-CB 3.32Å; Q376-N380 PolarHBondContact O-N 3.15Å; Q376-N380 PolarHBondContact O-ND2 2.87Å
377D98.9Very high98.5Very high31 Ų3156.1 Ų56.117%0.16630%0.303CS..Hα-helixtrans-62.9-46174.8179.465.3000111.6T196 A198 P373 L379 N380 R381T196-D377 VanDerWaalsContact CB-OD2 3.22Å; T196-D377 WeakPolarHBondContact CB-OD2 3.41Å; T196-D377 WeakPolarHBondContact CG2-OD2 3.14Å; T196-D377 PolarHBondContact OG1-OD2 3.48Å; A198-D377 HydrophobicContact CB-CB 3.66Å; P373-D377 WeakPolarHBondContact O-CB 3.33Å; P373-D377 PolarHBondContact O-N 3.34Å; D377-L379 VanDerWaalsContact C-N 3.34Å; D377-L379 PolarHBondContact O-N 2.95Å; D377-N380 PolarHBondContact O-N 3.35Å; D377-R381 VanDerWaalsContact CG-NE 3.28Å; D377-R381 WeakPolarHBondContact O-CB 3.48Å; D377-R381 VanDerWaalsContact O-CG 3.3Å; D377-R381 WeakPolarHBondContact O-CG 3.18Å; D377-R381 PolarHBondContact O-N 3.29Å; D377-R381 IonicContact OD1-CZ 3.74Å; D377-R381 IonicContact OD1-NE 2.88Å; D377-R381 PolarHBondContact OD1-NE 2.76Å; D377-R381 IonicContact OD1-NH2 3.69Å; D377-R381 WeakPolarHBondContact OD2-CD 3.3Å; D377-R381 IonicContact OD2-CZ 3.97Å; D377-R381 IonicContact OD2-NE 3.01Å; D377-R381 PolarHBondContact OD2-NE 2.66Å
378L98.8Very high98.5Very high0 Ų052.4 Ų52.40%029%0.288CS..Hα-helixtrans-57.4-45.8175.8175.960.4000112.1P194 P246 T374 F375 T382 T388 W390 L394P194-L378 HydrophobicContact CG-CD1 4.39Å; P194-L378 HydrophobicContact CG-CD2 4.45Å; P246-L378 HydrophobicContact CG-CD2 4.07Å; T374-L378 WeakPolarHBondContact O-CB 3.49Å; T374-L378 PolarHBondContact O-N 2.86Å; F375-L378 HydrophobicContact CD2-CD2 4.43Å; F375-L378 PolarHBondContact O-N 3.41Å; L378-T382 WeakPolarHBondContact O-CB 3.45Å; L378-T382 PolarHBondContact O-N 3.28Å; L378-T382 PolarHBondContact O-OG1 2.69Å; L378-T388 HydrophobicContact CD1-CG2 3.79Å; L378-W390 HydrophobicContact CD1-CB 4.29Å; L378-W390 HydrophobicContact CD1-CD2 4.38Å; L378-W390 HydrophobicContact CD1-CE3 3.91Å; L378-W390 HydrophobicContact CD2-CD2 4.36Å; L378-W390 HydrophobicContact CD2-CE3 3.99Å; L378-W390 HydrophobicContact CD2-CZ3 4.1Å; L378-L394 HydrophobicContact CD2-CD2 3.83Å; L378-L394 HydrophobicContact CD2-CG 4.43Å; L378-L394 HydrophobicContact CG-CD2 4.16Å; L378-L394 HydrophobicContact CG-CG 4.27Å
379L98.8Very high98.5Very high13 Ų1355.6 Ų55.67%0.06830%0.301CS..Hα-helixtrans-66.5-44.9-179.9-176.760.4000111.8Y370 F375 Q376 D377 T382 R383 L394Y370-L379 HydrophobicContact CE2-CD2 4.01Å; F375-L379 HydrophobicContact CE1-CD2 4.37Å; F375-L379 VanDerWaalsContact O-CB 3.27Å; F375-L379 WeakPolarHBondContact O-CB 3.41Å; F375-L379 PolarHBondContact O-N 2.71Å; Q376-L379 PolarHBondContact O-N 3.05Å; D377-L379 VanDerWaalsContact C-N 3.34Å; D377-L379 PolarHBondContact O-N 2.95Å; L379-T382 PolarHBondContact O-N 3.02Å; L379-R383 WeakPolarHBondContact O-CG 3.48Å; L379-R383 PolarHBondContact O-N 3.02Å; L379-L394 HydrophobicContact CD1-CD1 3.82Å
380N98.8Very high98.5Very high85 Ų8556.4 Ų56.446%0.45530%0.304SS..Hα-helixtrans-64.9-45.8180-73.4-21.9000111.7Q376 D377 T382 R383 A384Q376-N380 VanDerWaalsContact O-CB 3.31Å; Q376-N380 WeakPolarHBondContact O-CB 3.32Å; Q376-N380 PolarHBondContact O-N 3.15Å; Q376-N380 PolarHBondContact O-ND2 2.87Å; D377-N380 PolarHBondContact O-N 3.35Å; N380-T382 VanDerWaalsContact C-N 3.34Å; N380-T382 PolarHBondContact O-N 3.29Å; N380-R383 PolarHBondContact O-N 2.8Å; N380-A384 WeakPolarHBondContact O-CB 3.39Å; N380-A384 PolarHBondContact O-N 3.23Å
381R98.8Very high98.2Very high48 Ų4854.6 Ų54.618%0.18130%0.301CS..Hα-helixtrans-60.2-44.5175.6-72.7169177.9-88.2-5111.8D377 R383 A384 G385 Q386 P387 T388D377-R381 VanDerWaalsContact CG-NE 3.28Å; D377-R381 WeakPolarHBondContact O-CB 3.48Å; D377-R381 VanDerWaalsContact O-CG 3.3Å; D377-R381 WeakPolarHBondContact O-CG 3.18Å; D377-R381 PolarHBondContact O-N 3.29Å; D377-R381 IonicContact OD1-CZ 3.74Å; D377-R381 IonicContact OD1-NE 2.88Å; D377-R381 PolarHBondContact OD1-NE 2.76Å; D377-R381 IonicContact OD1-NH2 3.69Å; D377-R381 WeakPolarHBondContact OD2-CD 3.3Å; D377-R381 IonicContact OD2-CZ 3.97Å; D377-R381 IonicContact OD2-NE 3.01Å; D377-R381 PolarHBondContact OD2-NE 2.66Å; R381-R383 PolarHBondContact O-N 3.47Å; R381-A384 CarbonylContact O-C 3.54Å; R381-A384 PolarHBondContact O-N 2.81Å; R381-G385 PolarHBondContact O-N 3.24Å; R381-G385 VanDerWaalsContact O-N 3.09Å; R381-Q386 HydrophobicContact CB-CB 4.19Å; R381-Q386 HydrophobicContact CG-CB 4.37Å; R381-Q386 PolarHBondContact O-N 3.27Å; R381-P387 PolarHBondContact NH1-O 3.24Å; R381-T388 HydrophobicContact CB-CG2 4.09Å
382T98.6Very high98Very high55 Ų5552.9 Ų52.934%0.33729%0.291SS..Hα-helixtrans-60.7-46.5178.2-59.10000111.3L378 L379 N380 A384 G385 T388 L394L378-T382 WeakPolarHBondContact O-CB 3.45Å; L378-T382 PolarHBondContact O-N 3.28Å; L378-T382 PolarHBondContact O-OG1 2.69Å; L379-T382 PolarHBondContact O-N 3.02Å; N380-T382 VanDerWaalsContact C-N 3.34Å; N380-T382 PolarHBondContact O-N 3.29Å; T382-A384 VanDerWaalsContact C-N 3.31Å; T382-A384 PolarHBondContact O-N 2.9Å; T382-G385 PolarHBondContact O-N 3.18Å; T382-T388 WeakPolarHBondContact OG1-CG2 3.42Å; T382-L394 HydrophobicContact CG2-CB 4.36Å; T382-L394 HydrophobicContact CG2-CD1 4.05Å; T382-L394 HydrophobicContact CG2-CG 4.47Å
383R98.4Very high97.9Very high170 Ų17055.1 Ų55.164%0.64231%0.307SS*.Hα-helixtrans-63.7-36.1178-74172.7175.7171.4-1.2112.7L379 N380 R381 G385L379-R383 WeakPolarHBondContact O-CG 3.48Å; L379-R383 PolarHBondContact O-N 3.02Å; N380-R383 PolarHBondContact O-N 2.8Å; R381-R383 PolarHBondContact O-N 3.47Å; R383-G385 VanDerWaalsContact C-N 3.26Å; R383-G385 PolarHBondContact O-N 3.02Å
384A98.4Very high97.9Very high63 Ų6352.7 Ų52.752%0.52129%0.29SS..THydrogen-bonded Turntrans-80.5-2.1178.100000113.8N380 R381 T382 Q386N380-A384 WeakPolarHBondContact O-CB 3.39Å; N380-A384 PolarHBondContact O-N 3.23Å; R381-A384 CarbonylContact O-C 3.54Å; R381-A384 PolarHBondContact O-N 2.81Å; T382-A384 VanDerWaalsContact C-N 3.31Å; T382-A384 PolarHBondContact O-N 2.9Å; A384-Q386 HydrophobicContact CB-CG 3.86Å; A384-Q386 PolarHBondContact O-N 2.94Å
385G98Very high97.9Very high71 Ų7158.8 Ų58.873%0.73232%0.318SS*.THydrogen-bonded Turntrans6522.3-173.900000113.6R381 T382 R383R381-G385 PolarHBondContact O-N 3.24Å; R381-G385 VanDerWaalsContact O-N 3.09Å; T382-G385 PolarHBondContact O-N 3.18Å; R383-G385 VanDerWaalsContact C-N 3.26Å; R383-G385 PolarHBondContact O-N 3.02Å
386Q98.4Very high97.8Very high109 Ų10965.8 Ų65.851%0.50935%0.349SS..  trans-87.9155.1179.6-67.7178.2-8.800111.3R381 A384 T388R381-Q386 HydrophobicContact CB-CB 4.19Å; R381-Q386 HydrophobicContact CG-CB 4.37Å; R381-Q386 PolarHBondContact O-N 3.27Å; A384-Q386 HydrophobicContact CB-CG 3.86Å; A384-Q386 PolarHBondContact O-N 2.94Å; Q386-T388 PolarHBondContact O-N 2.96Å
387P98.3Very high97.8Very high89 Ų8963.2 Ų63.258%0.57834%0.337SS*.  trans-55.9125.1171.5-24.634.6000111.6R381 H389R381-P387 PolarHBondContact NH1-O 3.24Å; P387-H389 PolarHBondContact O-CD2 3.2Å
388T98.3Very high97.8Very high26 Ų2664.3 Ų64.316%0.1634%0.339CS..  trans-85.9-16.8178.855.70000112.9L378 R381 T382 Q386 W390L378-T388 HydrophobicContact CD1-CG2 3.79Å; R381-T388 HydrophobicContact CB-CG2 4.09Å; T382-T388 WeakPolarHBondContact OG1-CG2 3.42Å; Q386-T388 PolarHBondContact O-N 2.96Å; T388-W390 PolarHBondContact O-N 2.85Å; T388-W390 VanDerWaalsContact O-N 3.15Å
389H97.2Very high97.8Very high114 Ų11470.1 Ų70.153%0.52836%0.362SS..  trans52.730.7-173.3-56-83.8000113.1P194 D195 T196 P387P194-H389 WeakPolarHBondContact CA-O 3.38Å; D195-H389 PolarHBondContact N-O 3.23Å; D195-H389 WeakPolarHBondContact O-CB 3.38Å; T196-H389 HydrophobicContact CG2-CB 4.19Å; P387-H389 PolarHBondContact O-CD2 3.2Å
390W97.3Very high97.8Very high23 Ų2370 Ų709%0.08736%0.36CS..  trans-111.6148178.7-170.540.9000110.5F192 P194 P246 L378 T388 K392 L394 Y397F192-W390 PolarHBondContact O-NE1 3.13Å; P194-W390 HydrophobicContact CB-CB 4.18Å; P194-W390 HydrophobicContact CG-CB 4.02Å; P194-W390 HydrophobicContact CG-CG 3.95Å; P246-W390 HydrophobicContact CB-CH2 4.27Å; P246-W390 HydrophobicContact CB-CZ2 3.52Å; L378-W390 HydrophobicContact CD1-CB 4.29Å; L378-W390 HydrophobicContact CD1-CD2 4.38Å; L378-W390 HydrophobicContact CD1-CE3 3.91Å; L378-W390 HydrophobicContact CD2-CD2 4.36Å; L378-W390 HydrophobicContact CD2-CE3 3.99Å; L378-W390 HydrophobicContact CD2-CZ3 4.1Å; T388-W390 PolarHBondContact O-N 2.85Å; T388-W390 VanDerWaalsContact O-N 3.15Å; W390-K392 HydrophobicContact CD2-CB 3.94Å; W390-K392 HydrophobicContact CE3-CB 3.8Å; W390-K392 HydrophobicContact CH2-CB 3.71Å; W390-K392 HydrophobicContact CZ2-CB 3.82Å; W390-K392 HydrophobicContact CZ2-CD 4.44Å; W390-K392 HydrophobicContact CZ2-CG 4.46Å; W390-K392 HydrophobicContact CZ3-CB 3.68Å; W390-K392 PolarHBondContact O-N 3.04Å; W390-L394 HydrophobicContact CZ3-CD2 4.35Å; W390-Y397 HydrophobicContact CH2-CD1 4.47Å; W390-Y397 AromaticContact CH2-CD2 3.62Å; W390-Y397 HydrophobicContact CH2-CD2 3.62Å; W390-Y397 HydrophobicContact CH2-CE2 4.36Å; W390-Y397 AromaticContact CH2-CG 3.67Å; W390-Y397 HydrophobicContact CH2-CG 3.67Å; W390-Y397 HydrophobicContact CZ2-CD2 4.15Å; W390-Y397 HydrophobicContact CZ3-CG 4.46Å
391N92.7Very high97.8Very high60 Ų6070.2 Ų70.232%0.32136%0.361SS..SBendtrans-74-6179.971.9-22.2000113.6H191H191-N391 PolarHBondContact O-ND2 3.5Å
392K95.4Very high97.8Very high33 Ų3369.5 Ų69.514%0.14336%0.359CS..SBendtrans-129175174.9-65.3-172.6177.5-166.40110.6Y253 W390 E414Y253-K392 PolarHBondContact OH-NZ 2.57Å; W390-K392 HydrophobicContact CD2-CB 3.94Å; W390-K392 HydrophobicContact CE3-CB 3.8Å; W390-K392 HydrophobicContact CH2-CB 3.71Å; W390-K392 HydrophobicContact CZ2-CB 3.82Å; W390-K392 HydrophobicContact CZ2-CD 4.44Å; W390-K392 HydrophobicContact CZ2-CG 4.46Å; W390-K392 HydrophobicContact CZ3-CB 3.68Å; W390-K392 PolarHBondContact O-N 3.04Å; K392-E414 PolarHBondContact NZ-O 3.31Å
393S96.9Very high97.8Very high52 Ų5269.1 Ų69.136%0.36435%0.351SS..  trans-113.6153.6166.670.60000109.7H395 K396 Y397S393-H395 PolarHBondContact O-N 3.23Å; S393-K396 PolarHBondContact O-N 3.16Å; S393-K396 VanDerWaalsContact O-N 3.15Å; S393-K396 PolarHBondContact OG-N 3.08Å; S393-Y397 PolarHBondContact O-N 2.57Å
394L98.4Very high97.8Very high7 Ų761.6 Ų61.64%0.03732%0.324CS..Hα-helixtrans-57.5-34.8176.6-77.1-178.6000112.1F375 L378 L379 T382 W390 Y397 Y398F375-L394 HydrophobicContact CE2-CD2 4.11Å; F375-L394 HydrophobicContact CZ-CD2 4.48Å; L378-L394 HydrophobicContact CD2-CD2 3.83Å; L378-L394 HydrophobicContact CD2-CG 4.43Å; L378-L394 HydrophobicContact CG-CD2 4.16Å; L378-L394 HydrophobicContact CG-CG 4.27Å; L379-L394 HydrophobicContact CD1-CD1 3.82Å; T382-L394 HydrophobicContact CG2-CB 4.36Å; T382-L394 HydrophobicContact CG2-CD1 4.05Å; T382-L394 HydrophobicContact CG2-CG 4.47Å; W390-L394 HydrophobicContact CZ3-CD2 4.35Å; L394-Y397 PolarHBondContact O-N 3.15Å; L394-Y398 HydrophobicContact CB-CD2 4.22Å; L394-Y398 HydrophobicContact CB-CE2 3.83Å; L394-Y398 HydrophobicContact CD1-CE2 4.45Å; L394-Y398 HydrophobicContact CD2-CE2 4.3Å; L394-Y398 HydrophobicContact CG-CE2 4.43Å; L394-Y398 WeakPolarHBondContact O-CB 3.2Å; L394-Y398 WeakPolarHBondContact O-CD2 3.01Å; L394-Y398 VanDerWaalsContact O-CG 3.27Å; L394-Y398 PolarHBondContact O-N 2.79Å
395H98.2Very high97.8Very high128 Ų12858.6 Ų58.659%0.59330%0.299SS*.Hα-helixtrans-59-50.4175.6-176.6-74.5000112.2S393 Y397 Y398 Y399S393-H395 PolarHBondContact O-N 3.23Å; H395-Y397 VanDerWaalsContact C-N 3.26Å; H395-Y397 PolarHBondContact O-N 2.99Å; H395-Y398 PolarHBondContact O-N 2.84Å; H395-Y399 PolarHBondContact O-N 3.23Å
396K97.3Very high97.9Very high148 Ų14855.3 Ų55.364%0.64326%0.264SS*.Hα-helixtrans-67.9-27.8177.4-71.7-174.4174.1-173.70112.6S393S393-K396 PolarHBondContact O-N 3.16Å; S393-K396 VanDerWaalsContact O-N 3.15Å; S393-K396 PolarHBondContact OG-N 3.08Å
397Y98.4Very high97.9Very high2 Ų250.6 Ų50.61%0.00824%0.242CC..Hα-helixtrans-71.5-39.5176.4-171.7-108.9000112.5N251 F363 I365 W390 S393 L394 H395 R400N251-Y397 PolarHBondContact ND2-OH 3.35Å; F363-Y397 WeakPolarHBondContact CB-O 3.22Å; F363-Y397 HydrophobicContact CD1-CD1 4.32Å; F363-Y397 AromaticContact CD1-CE1 3.64Å; F363-Y397 HydrophobicContact CD1-CE1 3.64Å; F363-Y397 AromaticContact CD1-CZ 3.93Å; F363-Y397 AromaticContact CE1-CE1 3.95Å; F363-Y397 HydrophobicContact CE1-CE1 3.95Å; F363-Y397 AromaticContact CE1-CZ 3.86Å; F363-Y397 WeakPolarHBondContact CE1-OH 3.19Å; I365-Y397 HydrophobicContact CD1-CD1 4.34Å; I365-Y397 HydrophobicContact CD1-CE1 3.67Å; W390-Y397 HydrophobicContact CH2-CD1 4.47Å; W390-Y397 AromaticContact CH2-CD2 3.62Å; W390-Y397 HydrophobicContact CH2-CD2 3.62Å; W390-Y397 HydrophobicContact CH2-CE2 4.36Å; W390-Y397 AromaticContact CH2-CG 3.67Å; W390-Y397 HydrophobicContact CH2-CG 3.67Å; W390-Y397 HydrophobicContact CZ2-CD2 4.15Å; W390-Y397 HydrophobicContact CZ3-CG 4.46Å; S393-Y397 PolarHBondContact O-N 2.57Å; L394-Y397 PolarHBondContact O-N 3.15Å; H395-Y397 VanDerWaalsContact C-N 3.26Å; H395-Y397 PolarHBondContact O-N 2.99Å; Y397-R400 PolarHBondContact O-NE 2.01Å; Y397-R400 PolarHBondContact O-NH2 3.44Å
398Y98.8Very high97.7Very high54 Ų5447.6 Ų47.621%0.21222%0.223CC..Hα-helixtrans-75.4-51.7177.1-66.2-43.3000112P362 F363 I365 L394 H395P362-Y398 CarbonylContact C-O 3.57Å; P362-Y398 WeakPolarHBondContact CA-O 3.48Å; P362-Y398 HydrophobicContact CB-CG 4.4Å; F363-Y398 PolarHBondContact N-O 2.7Å; F363-Y398 WeakPolarHBondContact O-CD1 3.45Å; I365-Y398 HydrophobicContact CD1-CE1 3.93Å; I365-Y398 HydrophobicContact CG1-CE1 3.8Å; L394-Y398 HydrophobicContact CB-CD2 4.22Å; L394-Y398 HydrophobicContact CB-CE2 3.83Å; L394-Y398 HydrophobicContact CD1-CE2 4.45Å; L394-Y398 HydrophobicContact CD2-CE2 4.3Å; L394-Y398 HydrophobicContact CG-CE2 4.43Å; L394-Y398 WeakPolarHBondContact O-CB 3.2Å; L394-Y398 WeakPolarHBondContact O-CD2 3.01Å; L394-Y398 VanDerWaalsContact O-CG 3.27Å; L394-Y398 PolarHBondContact O-N 2.79Å; H395-Y398 PolarHBondContact O-N 2.84Å
399Y98.8Very high97.5Very high122 Ų12250.2 Ų50.248%0.47824%0.243SC..SBendtrans-103.8100.4-174.6-58.6-76.8000109.8P362 H395P362-Y399 HydrophobicContact CB-CE1 4.02Å; P362-Y399 HydrophobicContact CG-CE1 4.47Å; H395-Y399 PolarHBondContact O-N 3.23Å
400R98.6Very high97.4Very high11 Ų1154 Ų544%0.04225%0.252CS..  trans-104.1159.6-176.4-54.6178.8-171.3-172.70.4110.5N251 F363 Y397N251-R400 VanDerWaalsContact OD1-CZ 3.28Å; N251-R400 PolarHBondContact OD1-NH1 2.84Å; N251-R400 PolarHBondContact OD1-NH2 2.99Å; F363-R400 VanDerWaalsContact CD2-NH2 3.29Å; Y397-R400 PolarHBondContact O-NE 2.01Å; Y397-R400 PolarHBondContact O-NH2 3.44Å
401D98.6Very high97.3Very high89 Ų8953.9 Ų53.948%0.47625%0.253SS..  trans-69.6153.1171.3-66.1-36.5000110.6N356 W403 E404 N417N356-D401 PolarHBondContact ND2-O 3.35Å; D401-W403 PolarHBondContact O-N 2.82Å; D401-E404 HydrophobicContact CB-CG 4.36Å; D401-N417 PolarHBondContact OD2-ND2 3.48Å
402R98.8Very high97.2Very high34 Ų3454.8 Ų54.813%0.12826%0.263CS..SBendtrans-56-40173.1-178178.9169.4165.54.5111.3H355 N356 Y359 D451 L469H355-R402 CarbonylContact C-O 3.55Å; H355-R402 WeakPolarHBondContact CA-O 3.43Å; H355-R402 PolarHBondContact CD2-O 3.47Å; N356-R402 PolarHBondContact N-O 3.35Å; Y359-R402 HydrophobicContact CD1-CB 3.62Å; Y359-R402 HydrophobicContact CD1-CG 3.87Å; Y359-R402 HydrophobicContact CD2-CB 4Å; Y359-R402 HydrophobicContact CE1-CB 3.76Å; Y359-R402 HydrophobicContact CE1-CG 3.99Å; Y359-R402 HydrophobicContact CE2-CB 4.11Å; Y359-R402 HydrophobicContact CG-CB 3.75Å; Y359-R402 HydrophobicContact CG-CG 4.45Å; R402-D451 IonicContact CZ-OD1 2.57Å; R402-D451 IonicContact NH1-OD1 3.28Å; R402-D451 IonicContact NH2-OD1 3.99Å; R402-D451 PolarHBondContact NH2-OD1 3.01Å; R402-D451 IonicContact NH2-OD2 2.82Å; R402-L469 PolarHBondContact NH1-OXT 3.24Å
403W98.9Very high97.1Very high46 Ų4655.3 Ų55.317%0.17427%0.268CS..EExtended strand (participates in β ladder)trans-124.8127.4-179.3-67104.9000109.9L353 I354 H355 D401 N417 A419 F428 R432L353-W403 HydrophobicContact CD1-CE3 3.85Å; L353-W403 HydrophobicContact CD1-CZ3 4.43Å; L353-W403 HydrophobicContact CD2-CE3 4.17Å; L353-W403 HydrophobicContact CD2-CZ3 3.93Å; L353-W403 HydrophobicContact CG-CE3 4.07Å; L353-W403 HydrophobicContact CG-CZ3 4.18Å; I354-W403 WeakPolarHBondContact O-CA 3.34Å; H355-W403 HydrophobicContact CB-CD2 4.44Å; H355-W403 HydrophobicContact CB-CE3 3.75Å; H355-W403 HydrophobicContact CB-CH2 3.71Å; H355-W403 HydrophobicContact CB-CZ2 4.39Å; H355-W403 HydrophobicContact CB-CZ3 3.38Å; H355-W403 AromaticContact CD2-CE2 3.91Å; H355-W403 AromaticContact CD2-CZ2 3.82Å; H355-W403 AromaticContact CE1-CZ2 3.99Å; H355-W403 AromaticContact CG-CH2 3.44Å; H355-W403 VanDerWaalsContact CG-CH2 3.44Å; H355-W403 AromaticContact CG-CZ2 3.72Å; H355-W403 AromaticContact CG-CZ3 3.65Å; H355-W403 AromaticContact ND1-CH2 3.55Å; H355-W403 AromaticContact ND1-CZ2 3.83Å; H355-W403 AromaticContact NE2-CZ2 4Å; D401-W403 PolarHBondContact O-N 2.82Å; W403-N417 PolarHBondContact O-ND2 3.27Å; W403-A419 HydrophobicContact CB-CB 4.09Å; W403-A419 WeakPolarHBondContact O-CB 3.32Å; W403-F428 HydrophobicContact CB-CE2 3.84Å; W403-F428 HydrophobicContact CB-CZ 4.35Å; W403-F428 AromaticContact CD2-CE2 3.88Å; W403-F428 HydrophobicContact CD2-CE2 3.88Å; W403-F428 AromaticContact CD2-CZ 3.83Å; W403-F428 HydrophobicContact CD2-CZ 3.83Å; W403-F428 AromaticContact CE3-CE2 4Å; W403-F428 HydrophobicContact CE3-CE2 4Å; W403-F428 HydrophobicContact CE3-CZ 4.21Å; W403-F428 AromaticContact CG-CE2 3.82Å; W403-F428 HydrophobicContact CG-CE2 3.82Å; W403-F428 AromaticContact CG-CZ 3.88Å; W403-F428 HydrophobicContact CG-CZ 3.88Å; W403-R432 HydrophobicContact CH2-CG 3.92Å; W403-R432 HydrophobicContact CZ2-CG 4.42Å; W403-R432 HydrophobicContact CZ3-CG 4.38Å
404E98.9Very high97Very high13 Ų1353 Ų536%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-121.6115.3175.6-58.717999.100108.9Y253 L353 I354 N356 D401 F406 N417Y253-E404 PolarHBondContact OH-OE1 2.92Å; Y253-E404 VanDerWaalsContact OH-OE1 3.14Å; L353-E404 CarbonylContact C-O 3.55Å; L353-E404 WeakPolarHBondContact CA-O 3.46Å; I354-E404 HydrophobicContact CB-CB 4.3Å; I354-E404 PolarHBondContact N-O 3.08Å; I354-E404 PolarHBondContact O-N 2.95Å; N356-E404 PolarHBondContact ND2-OE2 3.12Å; D401-E404 HydrophobicContact CB-CG 4.36Å; E404-F406 HydrophobicContact CB-CE2 3.61Å; E404-F406 HydrophobicContact CB-CZ 3.71Å; E404-F406 HydrophobicContact CG-CZ 4.4Å; E404-N417 WeakPolarHBondContact CA-OD1 3.36Å
405L98.9Very high96.8Very high0 Ų055.7 Ų55.70%027%0.271CS..EExtended strand (participates in β ladder)trans-112.9127.3176175.965.8000109.2F351 R352 L353 N417 L418 A419 F428 L431F351-L405 HydrophobicContact CD1-CD1 4.46Å; R352-L405 CarbonylContact O-C 3.46Å; R352-L405 VanDerWaalsContact O-CA 3.3Å; R352-L405 WeakPolarHBondContact O-CA 3.33Å; R352-L405 WeakPolarHBondContact O-CD1 3.22Å; L353-L405 HydrophobicContact CB-CD1 4.32Å; L353-L405 HydrophobicContact CD1-CB 4.12Å; L353-L405 HydrophobicContact CD1-CD1 4.41Å; L405-N417 PolarHBondContact N-OD1 2.91Å; L405-L418 HydrophobicContact CB-CB 4.28Å; L405-L418 HydrophobicContact CD2-CB 4.17Å; L405-L418 HydrophobicContact CG-CB 4.11Å; L405-L418 WeakPolarHBondContact O-CB 3.45Å; L405-L418 PolarHBondContact O-N 3Å; L405-A419 HydrophobicContact CB-CB 4.03Å; L405-F428 HydrophobicContact CD2-CB 4.14Å; L405-L431 HydrophobicContact CD1-CD1 3.82Å
406F98.6Very high96.7Very high2 Ų256 Ų561%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-125.4142.8179.5-54.9-70.3000111.1Y253 F351 R352 I354 E404 E414 Q416Y253-F406 HydrophobicContact CD1-CE2 4.21Å; Y253-F406 AromaticContact CE1-CE2 3.96Å; Y253-F406 HydrophobicContact CE1-CE2 3.96Å; Y253-F406 HydrophobicContact CE1-CZ 4.13Å; F351-F406 VanDerWaalsContact CA-O 3.3Å; F351-F406 WeakPolarHBondContact CA-O 3.21Å; R352-F406 PolarHBondContact N-O 2.84Å; R352-F406 PolarHBondContact O-N 2.89Å; I354-F406 HydrophobicContact CD1-CE2 4.28Å; E404-F406 HydrophobicContact CB-CE2 3.61Å; E404-F406 HydrophobicContact CB-CZ 3.71Å; E404-F406 HydrophobicContact CG-CZ 4.4Å; F406-E414 HydrophobicContact CB-CG 4.28Å; F406-E414 HydrophobicContact CD1-CB 4.03Å; F406-E414 HydrophobicContact CD2-CB 4.04Å; F406-E414 HydrophobicContact CD2-CG 4.18Å; F406-E414 HydrophobicContact CE1-CB 4.19Å; F406-E414 WeakPolarHBondContact CE1-O 3.34Å; F406-E414 HydrophobicContact CE2-CB 4.18Å; F406-E414 HydrophobicContact CG-CB 3.96Å; F406-E414 HydrophobicContact CG-CG 4.11Å; F406-E414 HydrophobicContact CZ-CB 4.26Å; F406-Q416 WeakPolarHBondContact CD1-O 3.46Å
407D98.1Very high96.7Very high9 Ų950.8 Ų50.85%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-9995.5162.6-179.2-14.3000108.1Q350 F351 S409 R410 D411 L418Q350-D407 WeakPolarHBondContact CG-OD1 3.48Å; F351-D407 HydrophobicContact CD1-CB 4.08Å; F351-D407 HydrophobicContact CE1-CB 3.76Å; D407-S409 PolarHBondContact O-N 3.38Å; D407-S409 VanDerWaalsContact O-N 3.15Å; D407-S409 WeakPolarHBondContact OD1-CB 3.36Å; D407-S409 PolarHBondContact OD1-N 3.12Å; D407-S409 PolarHBondContact OD1-OG 2.99Å; D407-R410 PolarHBondContact O-N 3.2Å; D407-R410 VanDerWaalsContact O-N 3.13Å; D407-R410 WeakPolarHBondContact OD2-CD 3.41Å; D407-R410 IonicContact OD2-NE 3.53Å; D407-D411 PolarHBondContact O-N 3.42Å; D407-L418 HydrophobicContact CB-CD1 3.82Å
408C94.9Very high96.8Very high27 Ų2751.6 Ų51.618%0.18226%0.257CS..THydrogen-bonded Turntrans-67.1-14.3-175-55.80000112.9Q350 P412Q350-C408 WeakPolarHBondContact O-CB 3.4Å; Q350-C408 PolarHBondContact O-N 3.07Å; C408-P412 WeakPolarHBondContact O-CA 3.42Å
409S94Very high96.7Very high80 Ų8050.3 Ų50.356%0.55926%0.257SS*.THydrogen-bonded Turntrans-77.9-28.2175.273.60000112.6D407D407-S409 PolarHBondContact O-N 3.38Å; D407-S409 VanDerWaalsContact O-N 3.15Å; D407-S409 WeakPolarHBondContact OD1-CB 3.36Å; D407-S409 PolarHBondContact OD1-N 3.12Å; D407-S409 PolarHBondContact OD1-OG 2.99Å
410R95.9Very high96.7Very high193 Ų19349.5 Ų49.573%0.72827%0.267SS*.THydrogen-bonded Turntrans-102.3-34.3-179.8-66-177175.9-176.1-1112.6D407D407-R410 PolarHBondContact O-N 3.2Å; D407-R410 VanDerWaalsContact O-N 3.13Å; D407-R410 WeakPolarHBondContact OD2-CD 3.41Å; D407-R410 IonicContact OD2-NE 3.53Å
411D94.7Very high96.7Very high21 Ų2150.5 Ų50.511%0.11227%0.273CS..  trans-126.779.6176.5-179.817.3000110D407 T413 E414 S415 Q416D407-D411 PolarHBondContact O-N 3.42Å; D411-T413 PolarHBondContact O-N 2.97Å; D411-T413 VanDerWaalsContact O-N 3.08Å; D411-T413 PolarHBondContact OD1-N 3.41Å; D411-T413 VanDerWaalsContact OD1-N 3.16Å; D411-T413 PolarHBondContact OD1-OG1 2.7Å; D411-E414 PolarHBondContact O-N 2.76Å; D411-E414 PolarHBondContact OD1-N 2.83Å; D411-S415 PolarHBondContact OD1-OG 3.49Å; D411-S415 WeakPolarHBondContact OD2-CA 3.35Å; D411-S415 PolarHBondContact OD2-N 2.99Å; D411-S415 PolarHBondContact OD2-OG 3.01Å; D411-S415 VanDerWaalsContact OD2-OG 3.04Å; D411-Q416 PolarHBondContact OD2-N 3.16Å
412P91.1Very high96.7Very high80 Ų8051.5 Ų51.552%0.51929%0.285SS..THydrogen-bonded Turntrans-64.6-11.7176.427.9-35.5000112.6C408C408-P412 WeakPolarHBondContact O-CA 3.42Å
413T91.9Very high96.7Very high43 Ų4359.5 Ų59.526%0.26432%0.315SS..THydrogen-bonded Turntrans-88.8-6.7-179.772.10000114D411 S415D411-T413 PolarHBondContact O-N 2.97Å; D411-T413 VanDerWaalsContact O-N 3.08Å; D411-T413 PolarHBondContact OD1-N 3.41Å; D411-T413 VanDerWaalsContact OD1-N 3.16Å; D411-T413 PolarHBondContact OD1-OG1 2.7Å; T413-S415 VanDerWaalsContact C-N 3.31Å; T413-S415 PolarHBondContact O-N 3.12Å; T413-S415 WeakPolarHBondContact OG1-CB 3.35Å; T413-S415 PolarHBondContact OG1-OG 3.23Å
414E95.8Very high96.6Very high5 Ų559 Ų592%0.02331%0.313CS..  trans50.851.7-179.1-59.1175.7124.900111.4Y253 H254 R352 K392 F406 D411Y253-E414 WeakPolarHBondContact CB-OE2 3.38Å; H254-E414 WeakPolarHBondContact CB-OE2 3.44Å; H254-E414 PolarHBondContact N-OE1 3.16Å; H254-E414 PolarHBondContact N-OE2 3.17Å; R352-E414 WeakPolarHBondContact CD-OE1 3.45Å; R352-E414 IonicContact NE-OE1 3.81Å; R352-E414 PolarHBondContact NE-OE1 3.41Å; K392-E414 PolarHBondContact NZ-O 3.31Å; F406-E414 HydrophobicContact CB-CG 4.28Å; F406-E414 HydrophobicContact CD1-CB 4.03Å; F406-E414 HydrophobicContact CD2-CB 4.04Å; F406-E414 HydrophobicContact CD2-CG 4.18Å; F406-E414 HydrophobicContact CE1-CB 4.19Å; F406-E414 WeakPolarHBondContact CE1-O 3.34Å; F406-E414 HydrophobicContact CE2-CB 4.18Å; F406-E414 HydrophobicContact CG-CB 3.96Å; F406-E414 HydrophobicContact CG-CG 4.11Å; F406-E414 HydrophobicContact CZ-CB 4.26Å; D411-E414 PolarHBondContact O-N 2.76Å; D411-E414 PolarHBondContact OD1-N 2.83Å
415S93.6Very high96.6Very high63 Ų6360.7 Ų60.744%0.44133%0.329SS..  trans-108.3-24.6-173.870.30000113.4D411 T413D411-S415 PolarHBondContact OD1-OG 3.49Å; D411-S415 WeakPolarHBondContact OD2-CA 3.35Å; D411-S415 PolarHBondContact OD2-N 2.99Å; D411-S415 PolarHBondContact OD2-OG 3.01Å; D411-S415 VanDerWaalsContact OD2-OG 3.04Å; T413-S415 VanDerWaalsContact C-N 3.31Å; T413-S415 PolarHBondContact O-N 3.12Å; T413-S415 WeakPolarHBondContact OG1-CB 3.35Å; T413-S415 PolarHBondContact OG1-OG 3.23Å
416Q96.1Very high96.6Very high133 Ų13364.6 Ų64.662%0.62136%0.362SS*.SBendtrans-109106.8179.3-61.5-165.617.300111.4F406 D411 L418F406-Q416 WeakPolarHBondContact CD1-O 3.46Å; D411-Q416 PolarHBondContact OD2-N 3.16Å; Q416-L418 PolarHBondContact O-N 3.45Å
417N98.3Very high96.6Very high39 Ų3966.3 Ų66.321%0.20937%0.372CS..  trans-74118.9174.8-172.85.3000110.9D401 W403 E404 L405 A419D401-N417 PolarHBondContact OD2-ND2 3.48Å; W403-N417 PolarHBondContact O-ND2 3.27Å; E404-N417 WeakPolarHBondContact CA-OD1 3.36Å; L405-N417 PolarHBondContact N-OD1 2.91Å; N417-A419 VanDerWaalsContact OD1-CB 3.24Å; N417-A419 WeakPolarHBondContact OD1-CB 3.42Å; N417-A419 PolarHBondContact OD1-N 2.93Å
418L98.6Very high96.6Very high20 Ų2067.1 Ų67.111%0.10538%0.375CS..  trans-94.3-6.3179.6-56.8176.4000113.2L405 D407 Q416 P420 D421 Y424L405-L418 HydrophobicContact CB-CB 4.28Å; L405-L418 HydrophobicContact CD2-CB 4.17Å; L405-L418 HydrophobicContact CG-CB 4.11Å; L405-L418 WeakPolarHBondContact O-CB 3.45Å; L405-L418 PolarHBondContact O-N 3Å; D407-L418 HydrophobicContact CB-CD1 3.82Å; Q416-L418 PolarHBondContact O-N 3.45Å; L418-P420 VanDerWaalsContact C-CD 3.43Å; L418-D421 WeakPolarHBondContact O-CB 3.23Å; L418-D421 PolarHBondContact O-N 3.11Å; L418-Y424 HydrophobicContact CB-CD2 4.07Å; L418-Y424 HydrophobicContact CB-CE2 4.44Å; L418-Y424 HydrophobicContact CB-CG 4.19Å; L418-Y424 HydrophobicContact CD1-CD1 4.16Å; L418-Y424 HydrophobicContact CD1-CD2 4.36Å; L418-Y424 HydrophobicContact CD1-CE1 3.87Å; L418-Y424 HydrophobicContact CD1-CE2 4.07Å; L418-Y424 HydrophobicContact CD1-CG 4.4Å; L418-Y424 HydrophobicContact CD2-CD2 4.31Å; L418-Y424 HydrophobicContact CD2-CE2 3.9Å; L418-Y424 HydrophobicContact CG-CD2 4.49Å; L418-Y424 HydrophobicContact CG-CE2 4.37Å
419A98.5Very high96.8Very high27 Ų2769.3 Ų69.322%0.22338%0.383CS..THydrogen-bonded Turntrans-56.6-39-179.200000114W403 L405 N417 D421 F428W403-A419 HydrophobicContact CB-CB 4.09Å; W403-A419 WeakPolarHBondContact O-CB 3.32Å; L405-A419 HydrophobicContact CB-CB 4.03Å; N417-A419 VanDerWaalsContact OD1-CB 3.24Å; N417-A419 WeakPolarHBondContact OD1-CB 3.42Å; N417-A419 PolarHBondContact OD1-N 2.93Å; A419-D421 VanDerWaalsContact C-N 3.28Å; A419-D421 PolarHBondContact O-N 2.7Å; A419-F428 HydrophobicContact CB-CD2 4.37Å; A419-F428 HydrophobicContact CB-CE2 4.41Å
420P98.2Very high97Very high105 Ų10569.8 Ų69.868%0.68238%0.379SS*.THydrogen-bonded Turntrans-79.8-6176.931.9-35.3000113.9L418 P422L418-P420 VanDerWaalsContact C-CD 3.43Å; P420-P422 WeakPolarHBondContact O-CD 3.31Å
421D98.3Very high97.2Very high31 Ų3160.7 Ų60.717%0.16634%0.344CS..  trans-83.9116.2-176.2-174.1-21.6000111L418 A419 R423 Y424L418-D421 WeakPolarHBondContact O-CB 3.23Å; L418-D421 PolarHBondContact O-N 3.11Å; A419-D421 VanDerWaalsContact C-N 3.28Å; A419-D421 PolarHBondContact O-N 2.7Å; D421-R423 PolarHBondContact O-N 2.79Å; D421-R423 VanDerWaalsContact OD1-CB 3.27Å; D421-R423 WeakPolarHBondContact OD1-CB 3.48Å; D421-R423 VanDerWaalsContact OD1-CG 3.31Å; D421-R423 WeakPolarHBondContact OD1-CG 3.44Å; D421-R423 IonicContact OD1-CZ 3.51Å; D421-R423 PolarHBondContact OD1-N 3.14Å; D421-R423 IonicContact OD1-NE 3.17Å; D421-R423 PolarHBondContact OD1-NE 3.2Å; D421-R423 IonicContact OD2-CZ 2.72Å; D421-R423 IonicContact OD2-NE 2.65Å; D421-R423 PolarHBondContact OD2-NE 2.98Å; D421-R423 IonicContact OD2-NH2 2.78Å; D421-R423 PolarHBondContact OD2-NH2 3.13Å; D421-Y424 HydrophobicContact CB-CD2 3.97Å; D421-Y424 PolarHBondContact O-N 2.96Å
422P98Very high97.4Very high111 Ų11164.5 Ų64.572%0.72136%0.357SS*.G310 helixtrans-62.4-20-176.325.9-35.2000113.4P420 Y424 A425P420-P422 WeakPolarHBondContact O-CD 3.31Å; P422-Y424 PolarHBondContact O-N 3.39Å; P422-A425 WeakPolarHBondContact O-CB 3.38Å; P422-A425 PolarHBondContact O-N 2.88Å
423R98.3Very high97.7Very high201 Ų20164.8 Ų64.876%0.75836%0.358SS*.G310 helixtrans-66-24.4175.5-60.5176.2-66174.30.1112.5D421D421-R423 PolarHBondContact O-N 2.79Å; D421-R423 VanDerWaalsContact OD1-CB 3.27Å; D421-R423 WeakPolarHBondContact OD1-CB 3.48Å; D421-R423 VanDerWaalsContact OD1-CG 3.31Å; D421-R423 WeakPolarHBondContact OD1-CG 3.44Å; D421-R423 IonicContact OD1-CZ 3.51Å; D421-R423 PolarHBondContact OD1-N 3.14Å; D421-R423 IonicContact OD1-NE 3.17Å; D421-R423 PolarHBondContact OD1-NE 3.2Å; D421-R423 IonicContact OD2-CZ 2.72Å; D421-R423 IonicContact OD2-NE 2.65Å; D421-R423 PolarHBondContact OD2-NE 2.98Å; D421-R423 IonicContact OD2-NH2 2.78Å; D421-R423 PolarHBondContact OD2-NH2 3.13Å
424Y98.4Very high98.1Very high36 Ų3665.3 Ų65.314%0.14136%0.357CS..G310 helixtrans-1035.5-179.9-65.9-89.2000113.2F351 L418 D421 P422 A426 V427 F428F351-Y424 HydrophobicContact CE1-CD1 4.03Å; F351-Y424 AromaticContact CE1-CE1 3.91Å; F351-Y424 HydrophobicContact CE1-CE1 3.91Å; F351-Y424 HydrophobicContact CZ-CE1 4.32Å; L418-Y424 HydrophobicContact CB-CD2 4.07Å; L418-Y424 HydrophobicContact CB-CE2 4.44Å; L418-Y424 HydrophobicContact CB-CG 4.19Å; L418-Y424 HydrophobicContact CD1-CD1 4.16Å; L418-Y424 HydrophobicContact CD1-CD2 4.36Å; L418-Y424 HydrophobicContact CD1-CE1 3.87Å; L418-Y424 HydrophobicContact CD1-CE2 4.07Å; L418-Y424 HydrophobicContact CD1-CG 4.4Å; L418-Y424 HydrophobicContact CD2-CD2 4.31Å; L418-Y424 HydrophobicContact CD2-CE2 3.9Å; L418-Y424 HydrophobicContact CG-CD2 4.49Å; L418-Y424 HydrophobicContact CG-CE2 4.37Å; D421-Y424 HydrophobicContact CB-CD2 3.97Å; D421-Y424 PolarHBondContact O-N 2.96Å; P422-Y424 PolarHBondContact O-N 3.39Å; Y424-A426 VanDerWaalsContact C-N 3.29Å; Y424-A426 PolarHBondContact O-N 3.36Å; Y424-V427 PolarHBondContact O-N 2.93Å; Y424-F428 PolarHBondContact O-N 3.49Å
425A98.5Very high98.2Very high48 Ų4865.1 Ų65.140%0.39736%0.356SS..Hα-helixtrans-55.4-40.5-176.700000113.4P422 F428 E429P422-A425 WeakPolarHBondContact O-CB 3.38Å; P422-A425 PolarHBondContact O-N 2.88Å; A425-F428 PolarHBondContact O-N 2.89Å; A425-E429 WeakPolarHBondContact O-CB 3.42Å; A425-E429 WeakPolarHBondContact O-CG 3.27Å; A425-E429 PolarHBondContact O-N 3.24Å
426A98.6Very high98.4Very high83 Ų8365.5 Ų65.569%0.68635%0.353SS*.Hα-helixtrans-66.1-39.1177.500000112.7Y424 L430Y424-A426 VanDerWaalsContact C-N 3.29Å; Y424-A426 PolarHBondContact O-N 3.36Å; A426-L430 WeakPolarHBondContact O-CB 3.06Å; A426-L430 PolarHBondContact O-N 3.46Å; A426-L430 VanDerWaalsContact O-N 3.09Å
427V98.6Very high98.6Very high38 Ų3865 Ų6523%0.2335%0.348CS..Hα-helixtrans-68.5-45.5176.6178.80000109.8F351 Y424 E429 L430 L431F351-V427 HydrophobicContact CB-CG1 4.36Å; F351-V427 HydrophobicContact CD1-CG1 4.02Å; F351-V427 HydrophobicContact CD2-CG1 3.91Å; F351-V427 HydrophobicContact CE1-CG1 4.27Å; F351-V427 HydrophobicContact CE2-CG1 4.18Å; F351-V427 HydrophobicContact CG-CG1 3.83Å; F351-V427 HydrophobicContact CZ-CG1 4.35Å; F351-V427 HydrophobicContact CZ-CG2 4.5Å; Y424-V427 PolarHBondContact O-N 2.93Å; V427-E429 PolarHBondContact O-N 3.33Å; V427-L430 PolarHBondContact O-N 3.04Å; V427-L431 HydrophobicContact CG1-CD1 3.99Å; V427-L431 HydrophobicContact CG1-CG 4.34Å; V427-L431 WeakPolarHBondContact O-CG 3.27Å; V427-L431 PolarHBondContact O-N 3.48Å
428F98.8Very high98.6Very high25 Ų2563.5 Ų63.511%0.1134%0.34CS..Hα-helixtrans-53.5-52175.3175.4-93.5000111.6L353 W403 L405 A419 Y424 A425 L430 L431 R432L353-F428 HydrophobicContact CD1-CD2 3.74Å; L353-F428 HydrophobicContact CD1-CE2 3.73Å; W403-F428 HydrophobicContact CB-CE2 3.84Å; W403-F428 HydrophobicContact CB-CZ 4.35Å; W403-F428 AromaticContact CD2-CE2 3.88Å; W403-F428 HydrophobicContact CD2-CE2 3.88Å; W403-F428 AromaticContact CD2-CZ 3.83Å; W403-F428 HydrophobicContact CD2-CZ 3.83Å; W403-F428 AromaticContact CE3-CE2 4Å; W403-F428 HydrophobicContact CE3-CE2 4Å; W403-F428 HydrophobicContact CE3-CZ 4.21Å; W403-F428 AromaticContact CG-CE2 3.82Å; W403-F428 HydrophobicContact CG-CE2 3.82Å; W403-F428 AromaticContact CG-CZ 3.88Å; W403-F428 HydrophobicContact CG-CZ 3.88Å; L405-F428 HydrophobicContact CD2-CB 4.14Å; A419-F428 HydrophobicContact CB-CD2 4.37Å; A419-F428 HydrophobicContact CB-CE2 4.41Å; Y424-F428 PolarHBondContact O-N 3.49Å; A425-F428 PolarHBondContact O-N 2.89Å; F428-L430 PolarHBondContact O-N 2.97Å; F428-L431 PolarHBondContact O-N 3.14Å; F428-R432 VanDerWaalsContact O-CB 3.25Å; F428-R432 WeakPolarHBondContact O-CB 3.49Å; F428-R432 PolarHBondContact O-N 3.06Å
429E98.8Very high98.6Very high73 Ų7362.9 Ų62.934%0.34134%0.337SS..Hα-helixtrans-65.3-38.3-178.7-74.5-57.2148.100113.3A425 V427 R432 T433A425-E429 WeakPolarHBondContact O-CB 3.42Å; A425-E429 WeakPolarHBondContact O-CG 3.27Å; A425-E429 PolarHBondContact O-N 3.24Å; V427-E429 PolarHBondContact O-N 3.33Å; E429-R432 IonicContact OE1-CZ 3.02Å; E429-R432 IonicContact OE1-NE 3.29Å; E429-R432 PolarHBondContact OE1-NE 2.94Å; E429-R432 IonicContact OE1-NH1 3.15Å; E429-R432 IonicContact OE1-NH2 3.43Å; E429-R432 PolarHBondContact OE1-NH2 3.4Å; E429-R432 IonicContact OE2-CZ 2.95Å; E429-R432 IonicContact OE2-NE 3.52Å; E429-R432 PolarHBondContact OE2-NE 3.35Å; E429-R432 IonicContact OE2-NH2 3.69Å; E429-R432 PolarHBondContact OE2-NH2 3.09Å; E429-T433 VanDerWaalsContact O-CB 3.3Å; E429-T433 WeakPolarHBondContact O-CB 3.22Å; E429-T433 PolarHBondContact O-N 3.4Å; E429-T433 PolarHBondContact O-OG1 2.92Å
430L98.7Very high98.6Very high91 Ų9165.3 Ų65.348%0.47634%0.34SS..Hα-helixtrans-59.5-50.9174.4174.663.8000111.2A426 V427 F428 T433 Q434A426-L430 WeakPolarHBondContact O-CB 3.06Å; A426-L430 PolarHBondContact O-N 3.46Å; A426-L430 VanDerWaalsContact O-N 3.09Å; V427-L430 PolarHBondContact O-N 3.04Å; F428-L430 PolarHBondContact O-N 2.97Å; L430-T433 PolarHBondContact O-N 3.06Å; L430-Q434 WeakPolarHBondContact O-CG 3.3Å; L430-Q434 PolarHBondContact O-N 2.99Å
431L98.9Very high98.5Very high1 Ų164.2 Ų64.21%0.00533%0.329CS..Hα-helixtrans-68.5-40.6-178.2-64.1-178.4000111.6I346 H348 F351 L353 L405 V427 F428 T433 Q434 L435I346-L431 HydrophobicContact CD1-CD2 4.11Å; I346-L431 HydrophobicContact CG2-CB 3.9Å; I346-L431 HydrophobicContact CG2-CD2 4.49Å; H348-L431 HydrophobicContact CB-CD2 3.5Å; H348-L431 VanDerWaalsContact CB-CD2 3.5Å; F351-L431 HydrophobicContact CB-CD1 3.72Å; L353-L431 HydrophobicContact CB-CB 4.04Å; L353-L431 HydrophobicContact CB-CD1 4.06Å; L353-L431 HydrophobicContact CD2-CB 3.76Å; L405-L431 HydrophobicContact CD1-CD1 3.82Å; V427-L431 HydrophobicContact CG1-CD1 3.99Å; V427-L431 HydrophobicContact CG1-CG 4.34Å; V427-L431 WeakPolarHBondContact O-CG 3.27Å; V427-L431 PolarHBondContact O-N 3.48Å; F428-L431 PolarHBondContact O-N 3.14Å; L431-T433 VanDerWaalsContact C-N 3.32Å; L431-T433 PolarHBondContact O-N 3.46Å; L431-Q434 PolarHBondContact O-N 3.42Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 3.46Å
432R98.8Very high98.5Very high102 Ų10262.8 Ų62.839%0.38532%0.321SS..Hα-helixtrans-58.6-44.6174.6-174.7176.475.3153.24.6111.4L353 W403 F428 E429 L435 L436L353-R432 HydrophobicContact CD2-CB 4.08Å; W403-R432 HydrophobicContact CH2-CG 3.92Å; W403-R432 HydrophobicContact CZ2-CG 4.42Å; W403-R432 HydrophobicContact CZ3-CG 4.38Å; F428-R432 VanDerWaalsContact O-CB 3.25Å; F428-R432 WeakPolarHBondContact O-CB 3.49Å; F428-R432 PolarHBondContact O-N 3.06Å; E429-R432 IonicContact OE1-CZ 3.02Å; E429-R432 IonicContact OE1-NE 3.29Å; E429-R432 PolarHBondContact OE1-NE 2.94Å; E429-R432 IonicContact OE1-NH1 3.15Å; E429-R432 IonicContact OE1-NH2 3.43Å; E429-R432 PolarHBondContact OE1-NH2 3.4Å; E429-R432 IonicContact OE2-CZ 2.95Å; E429-R432 IonicContact OE2-NE 3.52Å; E429-R432 PolarHBondContact OE2-NE 3.35Å; E429-R432 IonicContact OE2-NH2 3.69Å; E429-R432 PolarHBondContact OE2-NH2 3.09Å; R432-L435 PolarHBondContact O-N 3.01Å; R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 PolarHBondContact O-N 2.66Å
433T98.8Very high98.4Very high86 Ų8659.6 Ų59.653%0.52830%0.301SS..Hα-helixtrans-64.5-43.5178.3-59.40000111.8E429 L430 L431 K437E429-T433 VanDerWaalsContact O-CB 3.3Å; E429-T433 WeakPolarHBondContact O-CB 3.22Å; E429-T433 PolarHBondContact O-N 3.4Å; E429-T433 PolarHBondContact O-OG1 2.92Å; L430-T433 PolarHBondContact O-N 3.06Å; L431-T433 VanDerWaalsContact C-N 3.32Å; L431-T433 PolarHBondContact O-N 3.46Å; T433-K437 WeakPolarHBondContact O-CB 3.35Å; T433-K437 PolarHBondContact O-N 3.43Å
434Q98.8Very high98.5Very high54 Ų5450.1 Ų50.125%0.25227%0.266SS..Hα-helixtrans-65.1-42.7176.8-73.3-176.948.200112.2I346 L430 L431 K437 W438I346-Q434 HydrophobicContact CD1-CB 3.58Å; L430-Q434 WeakPolarHBondContact O-CG 3.3Å; L430-Q434 PolarHBondContact O-N 2.99Å; L431-Q434 PolarHBondContact O-N 3.42Å; Q434-K437 PolarHBondContact O-N 3.18Å; Q434-W438 PolarHBondContact O-N 3.47Å
435L98.9Very high98.5Very high1 Ų151.5 Ų51.51%0.00528%0.279CS..Hα-helixtrans-61.1-48.9176.7-177.858.9000111F329 R344 I346 L431 R432 K437 W438 Q439F329-L435 HydrophobicContact CD1-CD1 4.06Å; R344-L435 HydrophobicContact CB-CD1 4.18Å; R344-L435 HydrophobicContact CB-CD2 3.96Å; R344-L435 HydrophobicContact CB-CG 4.34Å; I346-L435 HydrophobicContact CB-CB 4.39Å; I346-L435 HydrophobicContact CB-CD1 4.34Å; I346-L435 HydrophobicContact CG2-CB 4.07Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 3.46Å; R432-L435 PolarHBondContact O-N 3.01Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 3.38Å; L435-W438 HydrophobicContact CD1-CE3 4.3Å; L435-W438 PolarHBondContact O-N 3.12Å; L435-Q439 WeakPolarHBondContact O-CG 3.46Å; L435-Q439 PolarHBondContact O-N 3.06Å
436L98.6Very high98.5Very high71 Ų7150.8 Ų50.837%0.37227%0.266SS..Hα-helixtrans-62.2-41.7178.6-176.462.5000111.8R432 W438 Q439 W440 V447R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 PolarHBondContact O-N 2.66Å; L436-W438 PolarHBondContact O-N 3.48Å; L436-Q439 WeakPolarHBondContact O-CB 3.37Å; L436-Q439 PolarHBondContact O-N 3.32Å; L436-W440 PolarHBondContact O-N 3.48Å; L436-V447 HydrophobicContact CD1-CG2 3.58Å
437K98.6Very high98.5Very high121 Ų12147.4 Ų47.453%0.52624%0.237SC..Hα-helixtrans-58.6-48.1174.4172.7166.5172.243.60111.3T433 Q434 L435 Q439 W440 D441T433-K437 WeakPolarHBondContact O-CB 3.35Å; T433-K437 PolarHBondContact O-N 3.43Å; Q434-K437 PolarHBondContact O-N 3.18Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 3.38Å; K437-Q439 VanDerWaalsContact C-N 3.33Å; K437-Q439 PolarHBondContact O-N 2.88Å; K437-W440 PolarHBondContact O-N 3.3Å; K437-D441 WeakPolarHBondContact CE-OD2 3.17Å; K437-D441 WeakPolarHBondContact CG-OD2 3.45Å; K437-D441 VanDerWaalsContact NZ-CG 3.28Å; K437-D441 IonicContact NZ-OD1 2.99Å; K437-D441 PolarHBondContact NZ-OD1 3.12Å; K437-D441 IonicContact NZ-OD2 2.71Å; K437-D441 PolarHBondContact NZ-OD2 3.23Å; K437-D441 VanDerWaalsContact O-CG 3.23Å; K437-D441 PolarHBondContact O-N 3.26Å
438W98.8Very high98.5Very high8 Ų845.9 Ų45.93%0.0323%0.228CC..Hα-helixtrans-59.9-44.1178.2177.575.2000111.3P49 H51 L283 T311 F329 Q434 L435 L436 W440 D441 T442P49-W438 HydrophobicContact CB-CH2 3.79Å; P49-W438 HydrophobicContact CB-CZ2 3.74Å; P49-W438 HydrophobicContact CG-CH2 4.21Å; P49-W438 HydrophobicContact CG-CZ2 3.84Å; H51-W438 AromaticContact CE1-CH2 3.59Å; H51-W438 AromaticContact CE1-CZ3 3.72Å; L283-W438 HydrophobicContact CD1-CZ2 4.25Å; T311-W438 PolarHBondContact OG1-NE1 3.22Å; F329-W438 HydrophobicContact CB-CD2 3.67Å; F329-W438 HydrophobicContact CB-CE3 3.88Å; F329-W438 HydrophobicContact CB-CG 4.23Å; F329-W438 HydrophobicContact CB-CH2 3.98Å; F329-W438 HydrophobicContact CB-CZ2 3.81Å; F329-W438 HydrophobicContact CB-CZ3 4.01Å; F329-W438 HydrophobicContact CD1-CB 3.87Å; F329-W438 AromaticContact CD1-CD2 3.92Å; F329-W438 HydrophobicContact CD1-CD2 3.92Å; F329-W438 HydrophobicContact CD1-CE3 4.08Å; F329-W438 AromaticContact CD1-CG 3.83Å; F329-W438 HydrophobicContact CD1-CG 3.83Å; F329-W438 HydrophobicContact CD2-CB 4.43Å; F329-W438 AromaticContact CD2-CD1 3.79Å; F329-W438 HydrophobicContact CD2-CD2 4.25Å; F329-W438 AromaticContact CD2-CG 3.91Å; F329-W438 HydrophobicContact CD2-CG 3.91Å; F329-W438 HydrophobicContact CE1-CB 3.68Å; F329-W438 HydrophobicContact CE1-CG 4.09Å; F329-W438 HydrophobicContact CE2-CB 4.29Å; F329-W438 HydrophobicContact CE2-CG 4.18Å; F329-W438 HydrophobicContact CG-CB 4.24Å; F329-W438 AromaticContact CG-CD2 3.7Å; F329-W438 HydrophobicContact CG-CD2 3.7Å; F329-W438 AromaticContact CG-CE2 4Å; F329-W438 HydrophobicContact CG-CE3 4.14Å; F329-W438 AromaticContact CG-CG 3.73Å; F329-W438 HydrophobicContact CG-CG 3.73Å; F329-W438 HydrophobicContact CZ-CB 3.92Å; F329-W438 HydrophobicContact CZ-CG 4.27Å; Q434-W438 PolarHBondContact O-N 3.47Å; L435-W438 HydrophobicContact CD1-CE3 4.3Å; L435-W438 PolarHBondContact O-N 3.12Å; L436-W438 PolarHBondContact O-N 3.48Å; W438-W440 VanDerWaalsContact C-N 3.31Å; W438-W440 PolarHBondContact O-N 3.2Å; W438-D441 PolarHBondContact O-N 3.09Å; W438-D441 VanDerWaalsContact O-N 3.17Å; W438-T442 HydrophobicContact CD2-CG2 4.43Å; W438-T442 HydrophobicContact CZ2-CG2 4.37Å; W438-T442 PolarHBondContact O-N 3.41Å; W438-T442 PolarHBondContact O-OG1 2.96Å
439Q98.8Very high98.5Very high8 Ų845.9 Ų45.94%0.03723%0.233CC..Hα-helixtrans-57.1-41175.7-70.3176.7-95.100112.8L435 L436 K437 T442 S443 D444 V447L435-Q439 WeakPolarHBondContact O-CG 3.46Å; L435-Q439 PolarHBondContact O-N 3.06Å; L436-Q439 WeakPolarHBondContact O-CB 3.37Å; L436-Q439 PolarHBondContact O-N 3.32Å; K437-Q439 VanDerWaalsContact C-N 3.33Å; K437-Q439 PolarHBondContact O-N 2.88Å; Q439-T442 PolarHBondContact O-OG1 3.46Å; Q439-S443 PolarHBondContact O-N 2.88Å; Q439-S443 VanDerWaalsContact O-N 3.16Å; Q439-D444 HydrophobicContact CB-CB 3.86Å; Q439-D444 HydrophobicContact CG-CB 4.3Å; Q439-D444 WeakPolarHBondContact CG-OD2 3.48Å; Q439-D444 PolarHBondContact NE2-OD2 3.08Å; Q439-D444 WeakPolarHBondContact O-CB 3.49Å; Q439-D444 PolarHBondContact O-N 3.07Å; Q439-V447 HydrophobicContact CB-CB 4.37Å; Q439-V447 HydrophobicContact CB-CG2 3.82Å
440W97.8Very high98.4Very high77 Ų7743.6 Ų43.629%0.29222%0.224SC..Hα-helixtrans-67.9-46.4174.3-76.3114.2000112.4L436 K437 W438 T442 S443 V447 L454 Q461L436-W440 PolarHBondContact O-N 3.48Å; K437-W440 PolarHBondContact O-N 3.3Å; W438-W440 VanDerWaalsContact C-N 3.31Å; W438-W440 PolarHBondContact O-N 3.2Å; W440-T442 PolarHBondContact O-N 2.86Å; W440-S443 PolarHBondContact O-N 3.32Å; W440-V447 HydrophobicContact CD2-CG1 4.32Å; W440-V447 HydrophobicContact CD2-CG2 3.75Å; W440-V447 VanDerWaalsContact CE2-CG2 3.47Å; W440-V447 HydrophobicContact CE3-CG1 4.13Å; W440-V447 HydrophobicContact CE3-CG2 4.35Å; W440-V447 HydrophobicContact CG-CG2 4.04Å; W440-V447 HydrophobicContact CH2-CG1 3.63Å; W440-V447 HydrophobicContact CZ2-CG1 3.8Å; W440-V447 HydrophobicContact CZ2-CG2 3.9Å; W440-V447 HydrophobicContact CZ3-CG1 3.79Å; W440-L454 HydrophobicContact CH2-CD1 3.39Å; W440-L454 HydrophobicContact CZ3-CD1 3.69Å; W440-Q461 HydrophobicContact CH2-CB 3.75Å; W440-Q461 VanDerWaalsContact CH2-OE1 3.3Å; W440-Q461 HydrophobicContact CZ2-CB 4.38Å
441D97Very high98.4Very high83 Ų8342.2 Ų42.244%0.44422%0.217SC..Hα-helixtrans-59.7-32-180-68-19.1000111.2K437 W438K437-D441 WeakPolarHBondContact CE-OD2 3.17Å; K437-D441 WeakPolarHBondContact CG-OD2 3.45Å; K437-D441 VanDerWaalsContact NZ-CG 3.28Å; K437-D441 IonicContact NZ-OD1 2.99Å; K437-D441 PolarHBondContact NZ-OD1 3.12Å; K437-D441 IonicContact NZ-OD2 2.71Å; K437-D441 PolarHBondContact NZ-OD2 3.23Å; K437-D441 VanDerWaalsContact O-CG 3.23Å; K437-D441 PolarHBondContact O-N 3.26Å; W438-D441 PolarHBondContact O-N 3.09Å; W438-D441 VanDerWaalsContact O-N 3.17Å
442T98Very high98.4Very high1 Ų142.8 Ų42.81%0.00622%0.222CC..THydrogen-bonded Turntrans-98.39.6178.359.30000114.2P49 H51 Q52 T311 W438 Q439 W440 D444P49-T442 HydrophobicContact CG-CG2 3.92Å; H51-T442 PolarHBondContact CE1-OG1 3.06Å; H51-T442 VanDerWaalsContact NE2-CB 3.33Å; H51-T442 WeakPolarHBondContact NE2-CB 3.39Å; H51-T442 PolarHBondContact NE2-OG1 2.88Å; Q52-T442 WeakPolarHBondContact CB-O 3.44Å; Q52-T442 VanDerWaalsContact CD-O 3.25Å; Q52-T442 VanDerWaalsContact CG-O 3.25Å; Q52-T442 WeakPolarHBondContact CG-O 3.18Å; Q52-T442 PolarHBondContact NE2-O 2.86Å; T311-T442 HydrophobicContact CG2-CG2 3.54Å; W438-T442 HydrophobicContact CD2-CG2 4.43Å; W438-T442 HydrophobicContact CZ2-CG2 4.37Å; W438-T442 PolarHBondContact O-N 3.41Å; W438-T442 PolarHBondContact O-OG1 2.96Å; Q439-T442 PolarHBondContact O-OG1 3.46Å; W440-T442 PolarHBondContact O-N 2.86Å; T442-D444 PolarHBondContact O-N 3.19Å
443S97.1Very high98.4Very high43 Ų4341 Ų4130%0.30122%0.222SC..THydrogen-bonded Turntrans56.143.6176.8-57.20000114.3Q439 W440 P445Q439-S443 PolarHBondContact O-N 2.88Å; Q439-S443 VanDerWaalsContact O-N 3.16Å; W440-S443 PolarHBondContact O-N 3.32Å; S443-P445 VanDerWaalsContact O-CD 3.3Å; S443-P445 WeakPolarHBondContact O-CD 3.33Å
444D98.6Very high98.3Very high3 Ų339.4 Ų39.42%0.01621%0.21CC..  trans-63.1118.1178.9-175.95.4000112.6H51 R344 Q439 T442 W446 V447H51-D444 VanDerWaalsContact CD2-CA 3.48Å; H51-D444 WeakPolarHBondContact CD2-CA 2.97Å; H51-D444 IonicContact CG-OD1 3.82Å; R344-D444 IonicContact CZ-OD1 3.48Å; R344-D444 IonicContact CZ-OD2 3.53Å; R344-D444 IonicContact NE-OD1 2.78Å; R344-D444 IonicContact NE-OD2 3.5Å; R344-D444 PolarHBondContact NE-OD2 2.81Å; R344-D444 IonicContact NH2-OD1 2.71Å; R344-D444 PolarHBondContact NH2-OD1 3.05Å; R344-D444 IonicContact NH2-OD2 3.77Å; R344-D444 PolarHBondContact NH2-OD2 3.26Å; Q439-D444 HydrophobicContact CB-CB 3.86Å; Q439-D444 HydrophobicContact CG-CB 4.3Å; Q439-D444 WeakPolarHBondContact CG-OD2 3.48Å; Q439-D444 PolarHBondContact NE2-OD2 3.08Å; Q439-D444 WeakPolarHBondContact O-CB 3.49Å; Q439-D444 PolarHBondContact O-N 3.07Å; T442-D444 PolarHBondContact O-N 3.19Å; D444-W446 PolarHBondContact O-N 3.35Å; D444-W446 VanDerWaalsContact O-N 3.14Å; D444-W446 PolarHBondContact OD1-N 3.1Å; D444-V447 HydrophobicContact CB-CB 4.38Å; D444-V447 WeakPolarHBondContact O-CB 3.45Å; D444-V447 WeakPolarHBondContact O-CG1 3.19Å; D444-V447 PolarHBondContact O-N 2.98Å; D444-V447 VanDerWaalsContact O-N 3.16Å
445P98.3Very high98.3Very high64 Ų6441 Ų4142%0.41622%0.218SC..THydrogen-bonded Turntrans-62.9-19.3177-22.333.7000114.2H51 S443H51-P445 WeakPolarHBondContact O-CD 3.5Å; S443-P445 VanDerWaalsContact O-CD 3.3Å; S443-P445 WeakPolarHBondContact O-CD 3.33Å
446W98.8Very high97.9Very high34 Ų3446 Ų4613%0.12924%0.241CC..THydrogen-bonded Turntrans-94.88179.6-72.1-97.5000113.6H51 Y56 Y340 L357 D444 C448 A449H51-W446 HydrophobicContact CB-CE3 4.43Å; H51-W446 HydrophobicContact CB-CZ3 4.43Å; Y56-W446 HydrophobicContact CD1-CH2 4.1Å; Y56-W446 HydrophobicContact CD1-CZ3 4.08Å; Y56-W446 HydrophobicContact CD2-CH2 4.28Å; Y56-W446 HydrophobicContact CE1-CH2 4.12Å; Y56-W446 AromaticContact CE1-CZ3 3.85Å; Y56-W446 HydrophobicContact CE1-CZ3 3.85Å; Y56-W446 HydrophobicContact CE2-CH2 4.29Å; Y56-W446 HydrophobicContact CG-CH2 4.17Å; Y340-W446 HydrophobicContact CE2-CZ2 4.3Å; Y340-W446 AromaticContact CE2-NE1 3.69Å; Y340-W446 AromaticContact CZ-NE1 3.72Å; Y340-W446 PolarHBondContact OH-NE1 3.14Å; L357-W446 HydrophobicContact CD2-CB 3.79Å; L357-W446 HydrophobicContact CD2-CG 4.24Å; D444-W446 PolarHBondContact O-N 3.35Å; D444-W446 VanDerWaalsContact O-N 3.14Å; D444-W446 PolarHBondContact OD1-N 3.1Å; W446-C448 PolarHBondContact O-N 2.97Å; W446-C448 VanDerWaalsContact O-N 3.08Å; W446-A449 HydrophobicContact CB-CB 4.45Å; W446-A449 WeakPolarHBondContact O-CB 3.38Å; W446-A449 PolarHBondContact O-N 3.15Å
447V98.6Very high97.7Very high11 Ų1152.3 Ų52.37%0.06727%0.265CS..THydrogen-bonded Turntrans-56.7-30.3-171.368.50000114.7L436 Q439 W440 D444 L454L436-V447 HydrophobicContact CD1-CG2 3.58Å; Q439-V447 HydrophobicContact CB-CB 4.37Å; Q439-V447 HydrophobicContact CB-CG2 3.82Å; W440-V447 HydrophobicContact CD2-CG1 4.32Å; W440-V447 HydrophobicContact CD2-CG2 3.75Å; W440-V447 VanDerWaalsContact CE2-CG2 3.47Å; W440-V447 HydrophobicContact CE3-CG1 4.13Å; W440-V447 HydrophobicContact CE3-CG2 4.35Å; W440-V447 HydrophobicContact CG-CG2 4.04Å; W440-V447 HydrophobicContact CH2-CG1 3.63Å; W440-V447 HydrophobicContact CZ2-CG1 3.8Å; W440-V447 HydrophobicContact CZ2-CG2 3.9Å; W440-V447 HydrophobicContact CZ3-CG1 3.79Å; D444-V447 HydrophobicContact CB-CB 4.38Å; D444-V447 WeakPolarHBondContact O-CB 3.45Å; D444-V447 WeakPolarHBondContact O-CG1 3.19Å; D444-V447 PolarHBondContact O-N 2.98Å; D444-V447 VanDerWaalsContact O-N 3.16Å; V447-L454 HydrophobicContact CG1-CD1 4.21Å; V447-L454 HydrophobicContact CG1-CD2 4.41Å
448C98.6Very high97.6Very high6 Ų650.9 Ų50.94%0.04126%0.263CS..THydrogen-bonded Turntrans-96.4-9.8178.3-58.20000113.9W446 A452 L454 C462W446-C448 PolarHBondContact O-N 2.97Å; W446-C448 VanDerWaalsContact O-N 3.08Å; C448-A452 CarbonylContact C-O 3.47Å; C448-A452 HydrophobicContact CB-CB 3.97Å; C448-A452 CarbonylContact O-C 3.58Å; C448-A452 WeakPolarHBondContact O-CA 3.36Å; C448-A452 WeakPolarHBondContact O-CB 3.44Å; C448-A452 PolarHBondContact O-N 3.24Å; C448-L454 HydrophobicContact CB-CB 4.43Å; C448-C462 WeakPolarHBondContact CA-SG 3.26Å; C448-C462 HydrophobicContact CB-CB 3.68Å; C448-C462 WeakPolarHBondContact CB-SG 3.27Å; C448-C462 WeakPolarHBondContact SG-CA 3.27Å; C448-C462 WeakPolarHBondContact SG-CB 3.31Å; C448-C462 CovalentContact SG-SG 2.04Å; C448-C462 PolarHBondContact SG-SG 3.15Å
449A98.5Very high97.3Very high26 Ų2658 Ų5822%0.21530%0.302CS..THydrogen-bonded Turntrans-76.7151.2-17700000111.1L357 W446L357-A449 HydrophobicContact CD2-CB 3.88Å; W446-A449 HydrophobicContact CB-CB 4.45Å; W446-A449 WeakPolarHBondContact O-CB 3.38Å; W446-A449 PolarHBondContact O-N 3.15Å
450P98.4Very high97.1Very high25 Ų2561.5 Ų61.516%0.16233%0.325CS..THydrogen-bonded Turncis-95.8-32.837.7-38.2000115.8L357 N467 L469L357-P450 WeakPolarHBondContact O-CB 3.36Å; L357-P450 WeakPolarHBondContact O-CG 3.3Å; P450-N467 PolarHBondContact O-ND2 3.21Å; P450-L469 HydrophobicContact CB-CD1 3.87Å; P450-L469 HydrophobicContact CG-CD1 3.86Å
451D97.9Very high97.1Very high61 Ų6161.3 Ų61.333%0.32633%0.327SS..THydrogen-bonded Turntrans-94.2-12.1-170.350.5-58.9000114.3R402 L465 L469R402-D451 IonicContact CZ-OD1 2.57Å; R402-D451 IonicContact NH1-OD1 3.28Å; R402-D451 IonicContact NH2-OD1 3.99Å; R402-D451 PolarHBondContact NH2-OD1 3.01Å; R402-D451 IonicContact NH2-OD2 2.82Å; D451-L465 WeakPolarHBondContact O-CB 3.45Å; D451-L465 PolarHBondContact O-N 3.35Å; D451-L469 HydrophobicContact CB-CB 4.21Å
452A98.4Very high97.2Very high14 Ų1459 Ų5912%0.11632%0.318CS..EExtended strand (participates in β ladder)trans-142.4165.4-176.800000113.1C448 C462 Q463C448-A452 CarbonylContact C-O 3.47Å; C448-A452 HydrophobicContact CB-CB 3.97Å; C448-A452 CarbonylContact O-C 3.58Å; C448-A452 WeakPolarHBondContact O-CA 3.36Å; C448-A452 WeakPolarHBondContact O-CB 3.44Å; C448-A452 PolarHBondContact O-N 3.24Å; A452-C462 HydrophobicContact CB-CB 3.87Å; A452-Q463 CarbonylContact C-O 3.56Å; A452-Q463 WeakPolarHBondContact CA-O 3.32Å; A452-Q463 WeakPolarHBondContact CB-O 3.36Å
453V98.4Very high97.2Very high64 Ų6461.8 Ų61.839%0.38833%0.331SS..EExtended strand (participates in β ladder)trans-107.9141.2174.2179.40000109.4E455 C462 Q463 L465V453-E455 PolarHBondContact O-N 2.88Å; V453-C462 WeakPolarHBondContact O-CA 3.48Å; V453-Q463 PolarHBondContact N-O 3.49Å; V453-Q463 PolarHBondContact O-N 3.23Å; V453-L465 HydrophobicContact CG2-CD1 4.08Å; V453-L465 HydrophobicContact CG2-CD2 3.57Å; V453-L465 HydrophobicContact CG2-CG 3.86Å
454L98Very high97.3Very high52 Ų5263.5 Ų63.527%0.27234%0.34SS..EExtended strand (participates in β ladder)trans-79.3113.8175.2178.162.8000110.9W440 V447 C448 E456 Q461W440-L454 HydrophobicContact CH2-CD1 3.39Å; W440-L454 HydrophobicContact CZ3-CD1 3.69Å; V447-L454 HydrophobicContact CG1-CD1 4.21Å; V447-L454 HydrophobicContact CG1-CD2 4.41Å; C448-L454 HydrophobicContact CB-CB 4.43Å; L454-E456 HydrophobicContact CD1-CG 4.42Å; L454-E456 HydrophobicContact CD2-CG 4.49Å; L454-E456 HydrophobicContact CG-CG 4.26Å; L454-Q461 HydrophobicContact CD1-CB 4.27Å
455E97.5Very high97.2Very high88 Ų8867.4 Ų67.441%0.41136%0.361SS..  trans-12190.3174.2-74.6-64.1157.900110.2V453 K457 L458 Q461 Q463V453-E455 PolarHBondContact O-N 2.88Å; E455-K457 PolarHBondContact O-N 2.93Å; E455-L458 HydrophobicContact CB-CB 4.29Å; E455-L458 HydrophobicContact CB-CD1 4.07Å; E455-L458 HydrophobicContact CB-CG 4.23Å; E455-L458 HydrophobicContact CG-CD1 4.36Å; E455-L458 PolarHBondContact O-N 2.9Å; E455-L458 VanDerWaalsContact O-N 3.11Å; E455-Q461 PolarHBondContact N-O 2.97Å; E455-Q463 HydrophobicContact CB-CG 3.81Å; E455-Q463 HydrophobicContact CG-CB 4.46Å; E455-Q463 HydrophobicContact CG-CG 3.84Å
456E92.3Very high97.2Very high107 Ų10772.1 Ų72.150%0.538%0.377SS..THydrogen-bonded Turntrans-60.9-20.6-170.4-60-166151.200114.9K306 L454 Q461K306-E456 IonicContact NZ-OE1 3Å; K306-E456 PolarHBondContact NZ-OE1 3.45Å; L454-E456 HydrophobicContact CD1-CG 4.42Å; L454-E456 HydrophobicContact CD2-CG 4.49Å; L454-E456 HydrophobicContact CG-CG 4.26Å; E456-Q461 PolarHBondContact O-NE2 3.05Å
457K94.6Very high97.1Very high202 Ų20273.2 Ų73.288%0.87839%0.385SS*.THydrogen-bonded Turntrans-89.1-13.1-177.3-65.2177.9-176.7172.20113.7E455E455-K457 PolarHBondContact O-N 2.93Å
458L94.7Very high97Very high92 Ų9280.3 Ų80.348%0.48242%0.418SS..SBendtrans-106.1164.6-176.2-58.4-178.5000110.9E455 P460 Q461 Q463E455-L458 HydrophobicContact CB-CB 4.29Å; E455-L458 HydrophobicContact CB-CD1 4.07Å; E455-L458 HydrophobicContact CB-CG 4.23Å; E455-L458 HydrophobicContact CG-CD1 4.36Å; E455-L458 PolarHBondContact O-N 2.9Å; E455-L458 VanDerWaalsContact O-N 3.11Å; L458-P460 CarbonylContact C-O 3.51Å; L458-P460 CarbonylContact O-C 3.55Å; L458-Q461 WeakPolarHBondContact O-CG 3.32Å; L458-Q463 HydrophobicContact CD1-CG 4.24Å
459N93.5Very high96.7Very high158 Ų15884 Ų8485%0.84544%0.437SS*.SBendtrans-130.6120.5173.8-172.329.5000109.8
460P95.3Very high96.7Very high80 Ų8087 Ų8752%0.51945%0.448SS..SBendcis-64.2155.2-1.129-36.1000113L458 C462 Q463L458-P460 CarbonylContact C-O 3.51Å; L458-P460 CarbonylContact O-C 3.55Å; P460-C462 VanDerWaalsContact C-N 3.33Å; P460-Q463 PolarHBondContact O-NE2 3.1Å
461Q97.4Very high96.6Very high73 Ų7390.2 Ų90.234%0.34146%0.463SS..SBendtrans-71.4-28.2178.2-72.9-175.7-27.500112.8W440 L454 E455 E456 L458W440-Q461 HydrophobicContact CH2-CB 3.75Å; W440-Q461 VanDerWaalsContact CH2-OE1 3.3Å; W440-Q461 HydrophobicContact CZ2-CB 4.38Å; L454-Q461 HydrophobicContact CD1-CB 4.27Å; E455-Q461 PolarHBondContact N-O 2.97Å; E456-Q461 PolarHBondContact O-NE2 3.05Å; L458-Q461 WeakPolarHBondContact O-CG 3.32Å
462C98.3Very high96.5Very high36 Ų3691.8 Ų91.824%0.24347%0.471CS..EExtended strand (participates in β ladder)trans-88.3112.6171-63.40000110C448 A452 V453 P460C448-C462 WeakPolarHBondContact CA-SG 3.26Å; C448-C462 HydrophobicContact CB-CB 3.68Å; C448-C462 WeakPolarHBondContact CB-SG 3.27Å; C448-C462 WeakPolarHBondContact SG-CA 3.27Å; C448-C462 WeakPolarHBondContact SG-CB 3.31Å; C448-C462 CovalentContact SG-SG 2.04Å; C448-C462 PolarHBondContact SG-SG 3.15Å; A452-C462 HydrophobicContact CB-CB 3.87Å; V453-C462 WeakPolarHBondContact O-CA 3.48Å; P460-C462 VanDerWaalsContact C-N 3.33Å
463Q98.4Very high96.4Very high59 Ų5996.4 Ų96.428%0.27649%0.492SS..EExtended strand (participates in β ladder)trans-96.3124.1-179.8-66.1-66.9-46.600110.2A452 V453 E455 L458 P460A452-Q463 CarbonylContact C-O 3.56Å; A452-Q463 WeakPolarHBondContact CA-O 3.32Å; A452-Q463 WeakPolarHBondContact CB-O 3.36Å; V453-Q463 PolarHBondContact N-O 3.49Å; V453-Q463 PolarHBondContact O-N 3.23Å; E455-Q463 HydrophobicContact CB-CG 3.81Å; E455-Q463 HydrophobicContact CG-CB 4.46Å; E455-Q463 HydrophobicContact CG-CG 3.84Å; L458-Q463 HydrophobicContact CD1-CG 4.24Å; P460-Q463 PolarHBondContact O-NE2 3.1Å
464P98.1Very high96.3Very high78 Ų7898.4 Ų98.451%0.50650%0.498SS..EExtended strand (participates in β ladder)trans-66.8141.9-172.428.1-35.2000112.3
465L98.2Very high96.1Very high86 Ų86101.5 Ų101.545%0.4551%0.513SS..  trans-89.7-19.3176-77.3170.9000113.9D451 V453 N467D451-L465 WeakPolarHBondContact O-CB 3.45Å; D451-L465 PolarHBondContact O-N 3.35Å; V453-L465 HydrophobicContact CG2-CD1 4.08Å; V453-L465 HydrophobicContact CG2-CD2 3.57Å; V453-L465 HydrophobicContact CG2-CG 3.86Å; L465-N467 VanDerWaalsContact C-N 3.29Å; L465-N467 HydrophobicContact CB-CB 4.06Å; L465-N467 PolarHBondContact O-N 2.91Å
466H97.1Very high96Very high162 Ų162102.5 Ų102.575%0.7552%0.521SS*.  trans52.246.2-169.9-56.6-71000112.4
467N97.9Very high96.3Very high57 Ų57102.2 Ų102.231%0.30552%0.522SS..SBendtrans-101.229.2-174.362.6-7.8000113.6P450 L465 L469P450-N467 PolarHBondContact O-ND2 3.21Å; L465-N467 VanDerWaalsContact C-N 3.29Å; L465-N467 HydrophobicContact CB-CB 4.06Å; L465-N467 PolarHBondContact O-N 2.91Å; N467-L469 VanDerWaalsContact C-N 3.32Å; N467-L469 PolarHBondContact O-N 3.02Å
468E96.7Very high96.5Very high161 Ų16193.8 Ų93.875%0.75249%0.492SS*.  trans62.331.6179.3-49.2-59.1142.900114.3R360R360-E468 PolarHBondContact NH2-O 3.37Å
469L92.1Very high96.6Very high84 Ų8494 Ų9444%0.4449%0.493SS..  trans-121.80-179.7-73.8178.8000114.3Y359 R360 R402 P450 D451 N467Y359-L469 HydrophobicContact CE1-CD2 3.69Å; Y359-L469 VanDerWaalsContact OH-CD2 3.23Å; Y359-L469 WeakPolarHBondContact OH-CD2 3.48Å; R360-L469 VanDerWaalsContact CZ-CD2 3.42Å; R402-L469 PolarHBondContact NH1-OXT 3.24Å; P450-L469 HydrophobicContact CB-CD1 3.87Å; P450-L469 HydrophobicContact CG-CD1 3.86Å; D451-L469 HydrophobicContact CB-CB 4.21Å; N467-L469 VanDerWaalsContact C-N 3.32Å; N467-L469 PolarHBondContact O-N 3.02Å

Retrieved 469 of 469 residues in 222.3 ms (Link to these results)

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