A0A093H930_STRCA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A093H930, Species STRCA (Struthio camelus australis), Gene n/a, Length 180 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
1A81.9Confident92.4Very high94 Ų9428.1 Ų28.178%0.77718%0.179SC*.  0138.4000000111.3Y20 K104A1-Y20 HydrophobicContact CB-CE1 4.47Å; A1-Y20 HydrophobicContact CB-CE2 4.07Å; A1-Y20 VanDerWaalsContact CB-OH 3.3Å; A1-Y20 WeakPolarHBondContact CB-OH 3.42Å; A1-K104 PolarHBondContact O-NZ 3.14Å
2V94.9Very high92.2Very high27 Ų2729.3 Ų29.316%0.16419%0.186CC..  trans-94.7-11.9-175-57.40000114.6K4 C69 T103V2-K4 HydrophobicContact CG2-CD 4.37Å; V2-K4 HydrophobicContact CG2-CG 3.7Å; V2-C69 HydrophobicContact CG2-CB 4.1Å; V2-T103 WeakPolarHBondContact O-CB 3.39Å; V2-T103 PolarHBondContact O-OG1 2.84Å
3G93.6Very high91.9Very high16 Ų1632.9 Ų32.917%0.16521%0.208CC..  trans94.428.8175.200000116.1L7G3-L7 WeakPolarHBondContact O-CB 3.39Å; G3-L7 PolarHBondContact O-N 3.13Å
4K94.8Very high91.6Very high45 Ų4539.2 Ų39.220%0.19624%0.239CC..Hα-helixtrans-61-50.2175.8-52.9-164.7-52.1-69.10111.9V2 C6 L7 L8 D45 T46 C69V2-K4 HydrophobicContact CG2-CD 4.37Å; V2-K4 HydrophobicContact CG2-CG 3.7Å; K4-C6 PolarHBondContact O-N 3.13Å; K4-L7 WeakPolarHBondContact O-CA 3.24Å; K4-L7 WeakPolarHBondContact O-CB 3.49Å; K4-L7 PolarHBondContact O-N 2.97Å; K4-L8 WeakPolarHBondContact O-CG 3.24Å; K4-L8 PolarHBondContact O-N 3.06Å; K4-D45 WeakPolarHBondContact CB-OD1 3.47Å; K4-T46 WeakPolarHBondContact CE-O 3.48Å; K4-T46 PolarHBondContact NZ-O 3.25Å; K4-C69 HydrophobicContact CD-CB 4.38Å; K4-C69 HydrophobicContact CG-CB 4.05Å
5T92.8Very high91.2Very high20 Ų2040 Ų4012%0.12325%0.251CS..Hα-helixtrans-57-46.9176.7-39.50000112.2L7 L8 I9 T23 D45T5-L7 VanDerWaalsContact C-N 3.3Å; T5-L7 PolarHBondContact O-N 3.2Å; T5-L8 PolarHBondContact O-N 2.95Å; T5-I9 HydrophobicContact CG2-CD1 3.81Å; T5-I9 HydrophobicContact CG2-CG1 4.46Å; T5-I9 WeakPolarHBondContact O-CB 3.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.48Å; T5-I9 PolarHBondContact O-N 2.95Å; T5-T23 VanDerWaalsContact CG2-OG1 3.29Å; T5-T23 WeakPolarHBondContact CG2-OG1 3.4Å; T5-T23 PolarHBondContact OG1-OG1 2.95Å; T5-D45 WeakPolarHBondContact CA-OD2 3.23Å; T5-D45 WeakPolarHBondContact CB-OD2 3.24Å; T5-D45 WeakPolarHBondContact CG2-OD2 3.43Å; T5-D45 PolarHBondContact N-OD2 3.11Å; T5-D45 PolarHBondContact OG1-OD2 2.9Å
6C93.8Very high90.8Very high22 Ų2243.4 Ų43.415%0.14926%0.262CS..Hα-helixtrans-61.9-37.8176.2-53.70000112.2K4 S10 F16 P17 A147K4-C6 PolarHBondContact O-N 3.13Å; C6-S10 WeakPolarHBondContact O-CB 3.25Å; C6-S10 PolarHBondContact O-N 3.32Å; C6-F16 HydrophobicContact CB-CD2 4.48Å; C6-F16 HydrophobicContact CB-CE2 3.78Å; C6-F16 HydrophobicContact CB-CZ 4.19Å; C6-P17 HydrophobicContact CB-CG 4.26Å; C6-A147 HydrophobicContact CB-CB 4.13Å
7L94.1Very high90.4Very high3 Ų342.8 Ų42.82%0.01626%0.259CS..Hα-helixtrans-60.5-48.7176.1-170.979.4000111G3 K4 T5 Y11 L67 C145 L153 F157G3-L7 WeakPolarHBondContact O-CB 3.39Å; G3-L7 PolarHBondContact O-N 3.13Å; K4-L7 WeakPolarHBondContact O-CA 3.24Å; K4-L7 WeakPolarHBondContact O-CB 3.49Å; K4-L7 PolarHBondContact O-N 2.97Å; T5-L7 VanDerWaalsContact C-N 3.3Å; T5-L7 PolarHBondContact O-N 3.2Å; L7-Y11 WeakPolarHBondContact O-CB 3.35Å; L7-Y11 PolarHBondContact O-N 3.35Å; L7-Y11 VanDerWaalsContact O-N 3.12Å; L7-L67 HydrophobicContact CD2-CD1 4.43Å; L7-C145 WeakPolarHBondContact CD1-SG 3.07Å; L7-L153 HydrophobicContact CD1-CD1 3.29Å; L7-L153 HydrophobicContact CG-CD1 3.93Å; L7-F157 HydrophobicContact CD2-CZ 4.19Å; L7-F157 HydrophobicContact CG-CE2 4.14Å; L7-F157 HydrophobicContact CG-CZ 3.98Å
8L93.3Very high89.4Confident13 Ų1345.1 Ų45.17%0.06829%0.292CS..Hα-helixtrans-69.1-48.5-177.6-61.9176.4000111.8K4 T5 S10 Y11 T12 Y28 L43 D45 F157K4-L8 WeakPolarHBondContact O-CG 3.24Å; K4-L8 PolarHBondContact O-N 3.06Å; T5-L8 PolarHBondContact O-N 2.95Å; L8-S10 PolarHBondContact O-N 3.13Å; L8-Y11 PolarHBondContact O-N 3.49Å; L8-T12 WeakPolarHBondContact O-CG2 3.47Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-OG1 3.2Å; L8-Y28 HydrophobicContact CB-CD2 4.23Å; L8-Y28 HydrophobicContact CB-CE2 4.25Å; L8-Y28 HydrophobicContact CD1-CD2 4.33Å; L8-Y28 HydrophobicContact CD1-CE2 4.34Å; L8-L43 HydrophobicContact CD2-CB 4.11Å; L8-L43 HydrophobicContact CD2-CD1 4.09Å; L8-L43 HydrophobicContact CD2-CD2 3.95Å; L8-L43 HydrophobicContact CD2-CG 4.27Å; L8-D45 HydrophobicContact CD1-CB 3.41Å; L8-D45 VanDerWaalsContact CD1-CB 3.41Å; L8-F157 HydrophobicContact CD2-CE1 3.84Å; L8-F157 HydrophobicContact CD2-CZ 3.96Å
9I91.4Very high88.7Confident38 Ų3851.3 Ų51.320%0.19532%0.317CS..Hα-helixtrans-61.6-45.1178.2-67.7174.5000110.7T5 Y11 T12 T13 P17 Y28T5-I9 HydrophobicContact CG2-CD1 3.81Å; T5-I9 HydrophobicContact CG2-CG1 4.46Å; T5-I9 WeakPolarHBondContact O-CB 3.34Å; T5-I9 WeakPolarHBondContact O-CG1 3.48Å; T5-I9 PolarHBondContact O-N 2.95Å; I9-Y11 VanDerWaalsContact C-N 3.27Å; I9-Y11 PolarHBondContact O-N 3.29Å; I9-T12 PolarHBondContact O-N 3.3Å; I9-T12 PolarHBondContact O-OG1 3.17Å; I9-T13 HydrophobicContact CG2-CG2 4.3Å; I9-T13 WeakPolarHBondContact O-CB 3.37Å; I9-T13 PolarHBondContact O-N 3.15Å; I9-T13 PolarHBondContact O-OG1 3.38Å; I9-P17 HydrophobicContact CD1-CB 4.29Å; I9-P17 HydrophobicContact CD1-CG 4.31Å; I9-P17 HydrophobicContact CG2-CB 4.49Å; I9-P17 HydrophobicContact CG2-CG 4.46Å; I9-Y28 HydrophobicContact CG1-CE1 4.3Å
10S93.2Very high87.8Confident0 Ų055.6 Ų55.60%033%0.328CS..Hα-helixtrans-62.7-37.9-179.9-175.80000112.1C6 L8 N14 A15 A147 L153C6-S10 WeakPolarHBondContact O-CB 3.25Å; C6-S10 PolarHBondContact O-N 3.32Å; L8-S10 PolarHBondContact O-N 3.13Å; S10-N14 VanDerWaalsContact O-CA 3.23Å; S10-N14 WeakPolarHBondContact O-CA 3.46Å; S10-N14 PolarHBondContact O-N 2.94Å; S10-A15 WeakPolarHBondContact CA-O 3.38Å; S10-A147 PolarHBondContact OG-O 3Å; S10-L153 VanDerWaalsContact OG-CD2 3.23Å; S10-L153 WeakPolarHBondContact OG-CD2 3.36Å
11Y92.8Very high87.2Confident31 Ų3158.8 Ų58.812%0.12234%0.342CS..Hα-helixtrans-69.8-41.8177.1177.5-107.3000112.9L7 L8 I9 A30 L41 L43 F157L7-Y11 WeakPolarHBondContact O-CB 3.35Å; L7-Y11 PolarHBondContact O-N 3.35Å; L7-Y11 VanDerWaalsContact O-N 3.12Å; L8-Y11 PolarHBondContact O-N 3.49Å; I9-Y11 VanDerWaalsContact C-N 3.27Å; I9-Y11 PolarHBondContact O-N 3.29Å; Y11-A30 HydrophobicContact CE1-CB 4.4Å; Y11-L41 HydrophobicContact CE1-CD2 3.89Å; Y11-L43 HydrophobicContact CD1-CD1 4.1Å; Y11-L43 HydrophobicContact CE1-CD1 4.46Å; Y11-F157 AromaticContact CD1-CD1 3.88Å; Y11-F157 HydrophobicContact CD1-CD1 3.88Å; Y11-F157 AromaticContact CD1-CD2 3.88Å; Y11-F157 HydrophobicContact CD1-CD2 3.88Å; Y11-F157 AromaticContact CD1-CE1 3.95Å; Y11-F157 HydrophobicContact CD1-CE1 3.95Å; Y11-F157 AromaticContact CD1-CE2 3.98Å; Y11-F157 HydrophobicContact CD1-CE2 3.98Å; Y11-F157 AromaticContact CD1-CG 3.83Å; Y11-F157 HydrophobicContact CD1-CG 3.83Å; Y11-F157 HydrophobicContact CD1-CZ 4Å; Y11-F157 HydrophobicContact CD2-CB 4.17Å; Y11-F157 AromaticContact CD2-CD2 3.2Å; Y11-F157 HydrophobicContact CD2-CD2 3.2Å; Y11-F157 AromaticContact CD2-CE2 3.65Å; Y11-F157 HydrophobicContact CD2-CE2 3.65Å; Y11-F157 AromaticContact CD2-CG 3.74Å; Y11-F157 HydrophobicContact CD2-CG 3.74Å; Y11-F157 HydrophobicContact CD2-CZ 4.48Å; Y11-F157 HydrophobicContact CE1-CB 3.99Å; Y11-F157 AromaticContact CE1-CD1 3.88Å; Y11-F157 HydrophobicContact CE1-CD1 3.88Å; Y11-F157 HydrophobicContact CE1-CD2 4.18Å; Y11-F157 HydrophobicContact CE1-CE1 4.4Å; Y11-F157 AromaticContact CE1-CG 3.74Å; Y11-F157 HydrophobicContact CE1-CG 3.74Å; Y11-F157 HydrophobicContact CE2-CB 3.55Å; Y11-F157 AromaticContact CE2-CD2 3.54Å; Y11-F157 HydrophobicContact CE2-CD2 3.54Å; Y11-F157 HydrophobicContact CE2-CE2 4.4Å; Y11-F157 AromaticContact CE2-CG 3.63Å; Y11-F157 HydrophobicContact CE2-CG 3.63Å; Y11-F157 HydrophobicContact CG-CD1 4.21Å; Y11-F157 AromaticContact CG-CD2 3.36Å; Y11-F157 HydrophobicContact CG-CD2 3.36Å; Y11-F157 HydrophobicContact CG-CE1 4.21Å; Y11-F157 AromaticContact CG-CE2 3.38Å; Y11-F157 HydrophobicContact CG-CE2 3.38Å; Y11-F157 AromaticContact CG-CG 3.8Å; Y11-F157 HydrophobicContact CG-CG 3.8Å; Y11-F157 AromaticContact CG-CZ 3.81Å; Y11-F157 HydrophobicContact CG-CZ 3.81Å; Y11-F157 VanDerWaalsContact CZ-CB 3.43Å; Y11-F157 AromaticContact CZ-CD2 3.99Å; Y11-F157 AromaticContact CZ-CG 3.61Å; Y11-F157 WeakPolarHBondContact OH-CB 3.44Å
12T89.5Confident86.9Confident43 Ų4357.7 Ų57.726%0.26433%0.327SS..Hα-helixtrans-81.6-27.8-174.955.80000113.4L8 I9 L43L8-T12 WeakPolarHBondContact O-CG2 3.47Å; L8-T12 PolarHBondContact O-N 3.43Å; L8-T12 PolarHBondContact O-OG1 3.2Å; I9-T12 PolarHBondContact O-N 3.3Å; I9-T12 PolarHBondContact O-OG1 3.17Å; T12-L43 HydrophobicContact CG2-CD1 3.65Å
13T88.4Confident86.2Confident76 Ų7657 Ų5747%0.46632%0.323SS..Hα-helixtrans-113.7-8.6-173.7690000114.3I9 A15I9-T13 HydrophobicContact CG2-CG2 4.3Å; I9-T13 WeakPolarHBondContact O-CB 3.37Å; I9-T13 PolarHBondContact O-N 3.15Å; I9-T13 PolarHBondContact O-OG1 3.38Å; T13-A15 PolarHBondContact O-N 2.98Å; T13-A15 VanDerWaalsContact O-N 3.17Å; T13-A15 PolarHBondContact OG1-N 3.2Å; T13-A15 PolarHBondContact OG1-O 3.46Å
14N87.6Confident85.2Confident121 Ų12160.3 Ų60.365%0.64734%0.34SS*.SBendtrans55.620.6-168.1-61-59.9000114S10 Q150S10-N14 VanDerWaalsContact O-CA 3.23Å; S10-N14 WeakPolarHBondContact O-CA 3.46Å; S10-N14 PolarHBondContact O-N 2.94Å; N14-Q150 PolarHBondContact O-NE2 2.67Å
15A85.8Confident83.7Confident51 Ų5162 Ų6242%0.42135%0.347SS..SBendtrans-127.8148.1179.800000111.3S10 T13S10-A15 WeakPolarHBondContact CA-O 3.38Å; T13-A15 PolarHBondContact O-N 2.98Å; T13-A15 VanDerWaalsContact O-N 3.17Å; T13-A15 PolarHBondContact OG1-N 3.2Å; T13-A15 PolarHBondContact OG1-O 3.46Å
16F85.4Confident83.1Confident95 Ų9564.3 Ų64.342%0.41736%0.359SS..  trans-92.8131.7174.2-168.4-94.5000110.1C6 G18 A147 L148C6-F16 HydrophobicContact CB-CD2 4.48Å; C6-F16 HydrophobicContact CB-CE2 3.78Å; C6-F16 HydrophobicContact CB-CZ 4.19Å; F16-G18 PolarHBondContact O-N 2.82Å; F16-A147 HydrophobicContact CD2-CB 4.17Å; F16-A147 HydrophobicContact CE2-CB 3.95Å; F16-L148 HydrophobicContact CB-CD1 4.37Å; F16-L148 HydrophobicContact CD1-CD1 3.96Å; F16-L148 VanDerWaalsContact CD2-CA 3.5Å; F16-L148 HydrophobicContact CD2-CB 4.11Å; F16-L148 HydrophobicContact CD2-CD1 4.24Å; F16-L148 HydrophobicContact CE1-CD1 4.29Å; F16-L148 HydrophobicContact CE2-CB 4.01Å; F16-L148 HydrophobicContact CG-CD1 3.92Å; F16-L148 HydrophobicContact CZ-CB 4.49Å
17P82.9Confident82.6Confident33 Ų3367.6 Ų67.621%0.21438%0.375CS..  trans-67.4130.4-179.527.5-33.8000111C6 I9C6-P17 HydrophobicContact CB-CG 4.26Å; I9-P17 HydrophobicContact CD1-CB 4.29Å; I9-P17 HydrophobicContact CD1-CG 4.31Å; I9-P17 HydrophobicContact CG2-CB 4.49Å; I9-P17 HydrophobicContact CG2-CG 4.46Å
18G72.1Confident82.2Confident83 Ų8370.3 Ų70.386%0.85639%0.385SS*.SBendtrans-74.4-31.4-177.400000114.5F16F16-G18 PolarHBondContact O-N 2.82Å
19E76.9Confident81.9Confident163 Ų16374 Ų7476%0.76241%0.413SS*.SBendtrans-115.9140.8177.8-68.8-170.6168.300111.5I21E19-I21 PolarHBondContact O-N 2.69Å
20Y70.4Confident81.7Confident138 Ų13873.1 Ų73.154%0.54141%0.411SS..  trans-84.6108175.3178.3-111000110.3A1 P22A1-Y20 HydrophobicContact CB-CE1 4.47Å; A1-Y20 HydrophobicContact CB-CE2 4.07Å; A1-Y20 VanDerWaalsContact CB-OH 3.3Å; A1-Y20 WeakPolarHBondContact CB-OH 3.42Å; Y20-P22 HydrophobicContact CD1-CG 4.49Å; Y20-P22 HydrophobicContact CE1-CG 3.9Å
21I74.6Confident81.5Confident123 Ų12379.7 Ų79.763%0.63145%0.446SS*.  trans-105.7120.1170.9-57176.6000107.8E19 T23E19-I21 PolarHBondContact O-N 2.69Å; I21-T23 PolarHBondContact O-N 2.73Å
22P76.9Confident81.5Confident70 Ų7079.6 Ų79.646%0.45545%0.449SS..  trans-62.5121.1175.7-2232.6000111.9Y20Y20-P22 HydrophobicContact CD1-CG 4.49Å; Y20-P22 HydrophobicContact CE1-CG 3.9Å
23T79.3Confident81.5Confident14 Ų1483.1 Ų83.19%0.08646%0.463CS..  trans-76.4133.6177.7-56.20000111.9T5 I21 D26 D45 A47T5-T23 VanDerWaalsContact CG2-OG1 3.29Å; T5-T23 WeakPolarHBondContact CG2-OG1 3.4Å; T5-T23 PolarHBondContact OG1-OG1 2.95Å; I21-T23 PolarHBondContact O-N 2.73Å; T23-D26 HydrophobicContact CG2-CB 4.25Å; T23-D26 WeakPolarHBondContact CG2-OD2 3.02Å; T23-D45 HydrophobicContact CG2-CB 4Å; T23-D45 PolarHBondContact OG1-OD2 3.07Å; T23-A47 WeakPolarHBondContact O-CA 3.21Å; T23-A47 VanDerWaalsContact O-CB 3.31Å; T23-A47 WeakPolarHBondContact O-CB 3.46Å
24V73.6Confident81.7Confident84 Ų8479.6 Ų79.651%0.50944%0.442SS..SBendtrans-87-59.8164.5176.60000108.8A47 Y52V24-A47 PolarHBondContact O-N 2.92Å; V24-Y52 HydrophobicContact CB-CE1 4.29Å; V24-Y52 HydrophobicContact CG1-CD1 4.1Å; V24-Y52 HydrophobicContact CG1-CE1 3.59Å; V24-Y52 HydrophobicContact CG2-CE1 4.07Å
25F62.1Low81.8Confident80 Ų8078.7 Ų78.735%0.35144%0.437SS..EExtended strand (participates in β ladder)trans-162.4131.6174.8-179.5-114.1000109.4N27 W44 D45 S59F25-N27 WeakPolarHBondContact CE1-ND2 3.42Å; F25-N27 WeakPolarHBondContact CZ-OD1 3.46Å; F25-W44 HydrophobicContact CE2-CB 4.35Å; F25-W44 AromaticContact CE2-CD1 3.68Å; F25-W44 HydrophobicContact CE2-CG 4.42Å; F25-W44 AromaticContact CZ-CD1 3.5Å; F25-D45 WeakPolarHBondContact CA-O 3.16Å; F25-D45 VanDerWaalsContact CD2-O 3.28Å; F25-D45 WeakPolarHBondContact CD2-O 3.22Å; F25-S59 WeakPolarHBondContact CD2-OG 3.21Å; F25-S59 WeakPolarHBondContact CE2-OG 3.48Å
26D81.1Confident81.9Confident70 Ų7079.3 Ų79.337%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-138.6144.8174.9-80-54.3000110.1T23 Y28 D45T23-D26 HydrophobicContact CG2-CB 4.25Å; T23-D26 WeakPolarHBondContact CG2-OD2 3.02Å; D26-Y28 HydrophobicContact CB-CE2 3.68Å; D26-D45 HydrophobicContact CB-CB 4.24Å; D26-D45 PolarHBondContact N-O 2.95Å; D26-D45 PolarHBondContact O-N 3.2Å
27N83.3Confident82.1Confident90 Ų9080 Ų8048%0.48145%0.451SS..EExtended strand (participates in β ladder)trans-116.2128.7174.8-59.9-68.3000109.8F25 L43 W44F25-N27 WeakPolarHBondContact CE1-ND2 3.42Å; F25-N27 WeakPolarHBondContact CZ-OD1 3.46Å; N27-L43 CarbonylContact C-O 3.57Å; N27-L43 WeakPolarHBondContact CA-O 3.43Å; N27-W44 PolarHBondContact OD1-NE1 3.13Å; N27-W44 VanDerWaalsContact OD1-NE1 3.08Å
28Y84.6Confident82.6Confident60 Ų6083.5 Ų83.524%0.23547%0.474CS..EExtended strand (participates in β ladder)trans-118.9156.2171.9-50.3-93.2000109.6L8 I9 D26 L43 D45L8-Y28 HydrophobicContact CB-CD2 4.23Å; L8-Y28 HydrophobicContact CB-CE2 4.25Å; L8-Y28 HydrophobicContact CD1-CD2 4.33Å; L8-Y28 HydrophobicContact CD1-CE2 4.34Å; I9-Y28 HydrophobicContact CG1-CE1 4.3Å; D26-Y28 HydrophobicContact CB-CE2 3.68Å; Y28-L43 PolarHBondContact N-O 2.81Å; Y28-L43 PolarHBondContact O-N 3.49Å; Y28-D45 HydrophobicContact CE2-CB 4.38Å
29S87.5Confident83.7Confident91 Ų9181 Ų8164%0.63644%0.442SS*.EExtended strand (participates in β ladder)trans-132.7146.8169.761.20000110.9L41S29-L41 CarbonylContact C-O 3.47Å; S29-L41 VanDerWaalsContact CA-O 3.24Å; S29-L41 WeakPolarHBondContact CA-O 3.43Å
30A86.6Confident84.5Confident19 Ų1978.8 Ų78.816%0.15744%0.435CS..EExtended strand (participates in β ladder)trans-142.3130.6176.600000110.3Y11 V32 L41Y11-A30 HydrophobicContact CE1-CB 4.4Å; A30-V32 HydrophobicContact CB-CG1 4.05Å; A30-L41 PolarHBondContact N-O 2.87Å; A30-L41 PolarHBondContact O-N 3.39Å
31N90.2Very high85.5Confident138 Ų13873.3 Ų73.374%0.73842%0.415SS*.EExtended strand (participates in β ladder)trans-88.8116.6169.1-69.2-50.5000108.6V39N31-V39 WeakPolarHBondContact CA-O 3.47Å
32V91.7Very high86.5Confident30 Ų3068.9 Ų68.918%0.18240%0.4CS..EExtended strand (participates in β ladder)trans-132.5154.8-173.9-600000111.7A30 V34 V39 I161A30-V32 HydrophobicContact CB-CG1 4.05Å; V32-V34 HydrophobicContact CG2-CG2 4.28Å; V32-V39 HydrophobicContact CG2-CB 4.29Å; V32-V39 PolarHBondContact N-O 3.11Å; V32-V39 PolarHBondContact O-N 2.9Å; V32-I161 HydrophobicContact CG2-CD1 3.5Å
33M91.2Very high87.3Confident116 Ų11666.2 Ų66.257%0.57138%0.381SS*.EExtended strand (participates in β ladder)trans-104.6117.2174-69.5-66.3-68.400109.1G36 P38M33-G36 WeakPolarHBondContact CE-O 3.37Å; M33-P38 VanDerWaalsContact SD-CA 3.54Å; M33-P38 HydrophobicContact SD-CB 3.76Å
34V90.9Very high87.9Confident3 Ų372.5 Ų72.52%0.01840%0.404CS..EExtended strand (participates in β ladder)trans-124.5124.2174.5-179.90000108.8V32 G36 K37 I161 R162V32-V34 HydrophobicContact CG2-CG2 4.28Å; V34-G36 PolarHBondContact O-N 3.36Å; V34-G36 VanDerWaalsContact O-N 3.14Å; V34-K37 PolarHBondContact N-O 3.2Å; V34-K37 PolarHBondContact O-N 3.36Å; V34-I161 HydrophobicContact CB-CB 4.47Å; V34-I161 HydrophobicContact CB-CG2 3.8Å; V34-I161 HydrophobicContact CG1-CB 4.39Å; V34-I161 HydrophobicContact CG1-CG2 3.96Å; V34-I161 HydrophobicContact CG2-CB 4.13Å; V34-I161 HydrophobicContact CG2-CD1 3.56Å; V34-I161 HydrophobicContact CG2-CG1 4.45Å; V34-I161 HydrophobicContact CG2-CG2 3.88Å; V34-R162 HydrophobicContact CG1-CG 3.92Å
35D89.6Confident88.8Confident102 Ų10268.6 Ų68.655%0.54538%0.38SS..THydrogen-bonded Turntrans50.239.1-178.7-53-15.8000112.9K37 R162D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.42Å; D35-R162 IonicContact OD1-CZ 3.13Å; D35-R162 IonicContact OD1-NE 2.81Å; D35-R162 PolarHBondContact OD1-NE 3.24Å; D35-R162 IonicContact OD1-NH2 3.2Å; D35-R162 VanDerWaalsContact OD2-CD 3.24Å; D35-R162 WeakPolarHBondContact OD2-CD 3.3Å; D35-R162 WeakPolarHBondContact OD2-CG 3.4Å; D35-R162 IonicContact OD2-NE 3.66Å; D35-R162 PolarHBondContact OD2-NE 3.32Å; D35-R162 VanDerWaalsContact OD2-NE 3.13Å
36G88.9Confident90.1Very high63 Ų6366 Ų6665%0.64937%0.371SS*.THydrogen-bonded Turntrans77.51.8-18000000115.4M33 V34M33-G36 WeakPolarHBondContact CE-O 3.37Å; V34-G36 PolarHBondContact O-N 3.36Å; V34-G36 VanDerWaalsContact O-N 3.14Å
37K89.5Confident90.4Very high109 Ų10963 Ų6347%0.47436%0.355SS..EExtended strand (participates in β ladder)trans-102.8129.1178.3-63.3177.4-178.31760110.8V34 D35 L165V34-K37 PolarHBondContact N-O 3.2Å; V34-K37 PolarHBondContact O-N 3.36Å; D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.42Å; K37-L165 HydrophobicContact CD-CD1 4.23Å
38P93.4Very high90.6Very high108 Ų10860.4 Ų60.470%0.70135%0.35SS*.EExtended strand (participates in β ladder)trans-70.4133.1170.929.1-32.7000110M33M33-P38 VanDerWaalsContact SD-CA 3.54Å; M33-P38 HydrophobicContact SD-CB 3.76Å
39V94.8Very high90.7Very high29 Ų2961.8 Ų61.818%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-131.4129.6178.9179.30000108.8N31 V32 I161 L165N31-V39 WeakPolarHBondContact CA-O 3.47Å; V32-V39 HydrophobicContact CG2-CB 4.29Å; V32-V39 PolarHBondContact N-O 3.11Å; V32-V39 PolarHBondContact O-N 2.9Å; V39-I161 HydrophobicContact CB-CG2 4.45Å; V39-I161 HydrophobicContact CG1-CD1 4.45Å; V39-I161 HydrophobicContact CG1-CG1 4.43Å; V39-I161 HydrophobicContact CG1-CG2 4.3Å; V39-I161 HydrophobicContact CG2-CG2 3.87Å; V39-L165 HydrophobicContact CG2-CD1 3.98Å
40N93.5Very high90.7Very high118 Ų11864.4 Ų64.463%0.63136%0.361SS*.EExtended strand (participates in β ladder)trans-90104.9165.2-176.7-4.2000107.9
41L92.9Very high90.9Very high23 Ų2370.3 Ų70.312%0.1239%0.39CS..EExtended strand (participates in β ladder)trans-92.4113.8-178-177.967.7000109.6Y11 S29 A30 L43 F157 I161Y11-L41 HydrophobicContact CE1-CD2 3.89Å; S29-L41 CarbonylContact C-O 3.47Å; S29-L41 VanDerWaalsContact CA-O 3.24Å; S29-L41 WeakPolarHBondContact CA-O 3.43Å; A30-L41 PolarHBondContact N-O 2.87Å; A30-L41 PolarHBondContact O-N 3.39Å; L41-L43 HydrophobicContact CD1-CD2 4.39Å; L41-L43 HydrophobicContact CD2-CD1 4.33Å; L41-L43 HydrophobicContact CD2-CD2 3.68Å; L41-L43 HydrophobicContact CD2-CG 4.09Å; L41-L43 HydrophobicContact CG-CD2 3.85Å; L41-L43 HydrophobicContact CG-CG 4.08Å; L41-F157 HydrophobicContact CD2-CD1 4.04Å; L41-I161 HydrophobicContact CD1-CD1 4.43Å; L41-I161 HydrophobicContact CD1-CG1 4.1Å; L41-I161 HydrophobicContact CD2-CD1 4.21Å
42G94.9Very high90.9Very high29 Ų2966.7 Ų66.730%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-83.4140.1163.600000110.9W44G42-W44 VanDerWaalsContact C-CE3 3.43Å; G42-W44 VanDerWaalsContact O-CZ3 3.24Å; G42-W44 WeakPolarHBondContact O-CZ3 3.4Å
43L92.9Very high90.9Very high14 Ų1467.9 Ų67.97%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-129.4118.2-177.5-66171.8000109.5L8 Y11 T12 N27 Y28 L41 F157L8-L43 HydrophobicContact CD2-CB 4.11Å; L8-L43 HydrophobicContact CD2-CD1 4.09Å; L8-L43 HydrophobicContact CD2-CD2 3.95Å; L8-L43 HydrophobicContact CD2-CG 4.27Å; Y11-L43 HydrophobicContact CD1-CD1 4.1Å; Y11-L43 HydrophobicContact CE1-CD1 4.46Å; T12-L43 HydrophobicContact CG2-CD1 3.65Å; N27-L43 CarbonylContact C-O 3.57Å; N27-L43 WeakPolarHBondContact CA-O 3.43Å; Y28-L43 PolarHBondContact N-O 2.81Å; Y28-L43 PolarHBondContact O-N 3.49Å; L41-L43 HydrophobicContact CD1-CD2 4.39Å; L41-L43 HydrophobicContact CD2-CD1 4.33Å; L41-L43 HydrophobicContact CD2-CD2 3.68Å; L41-L43 HydrophobicContact CD2-CG 4.09Å; L41-L43 HydrophobicContact CG-CD2 3.85Å; L41-L43 HydrophobicContact CG-CG 4.08Å; L43-F157 HydrophobicContact CD1-CE1 4.3Å; L43-F157 HydrophobicContact CD2-CD1 4.01Å; L43-F157 HydrophobicContact CD2-CE1 3.71Å
44W92.8Very high90.9Very high146 Ų14673.5 Ų73.555%0.55339%0.386SS*.EExtended strand (participates in β ladder)trans-105.5106.4-179.6-73-108.4000109.8F25 N27 G42F25-W44 HydrophobicContact CE2-CB 4.35Å; F25-W44 AromaticContact CE2-CD1 3.68Å; F25-W44 HydrophobicContact CE2-CG 4.42Å; F25-W44 AromaticContact CZ-CD1 3.5Å; N27-W44 PolarHBondContact OD1-NE1 3.13Å; N27-W44 VanDerWaalsContact OD1-NE1 3.08Å; G42-W44 VanDerWaalsContact C-CE3 3.43Å; G42-W44 VanDerWaalsContact O-CZ3 3.24Å; G42-W44 WeakPolarHBondContact O-CZ3 3.4Å
45D92.2Very high90.9Very high2 Ų277.9 Ų77.91%0.01141%0.409CS..EExtended strand (participates in β ladder)trans-83137.4170.9-159.16.6000110.4K4 T5 L8 T23 F25 D26 Y28K4-D45 WeakPolarHBondContact CB-OD1 3.47Å; T5-D45 WeakPolarHBondContact CA-OD2 3.23Å; T5-D45 WeakPolarHBondContact CB-OD2 3.24Å; T5-D45 WeakPolarHBondContact CG2-OD2 3.43Å; T5-D45 PolarHBondContact N-OD2 3.11Å; T5-D45 PolarHBondContact OG1-OD2 2.9Å; L8-D45 HydrophobicContact CD1-CB 3.41Å; L8-D45 VanDerWaalsContact CD1-CB 3.41Å; T23-D45 HydrophobicContact CG2-CB 4Å; T23-D45 PolarHBondContact OG1-OD2 3.07Å; F25-D45 WeakPolarHBondContact CA-O 3.16Å; F25-D45 VanDerWaalsContact CD2-O 3.28Å; F25-D45 WeakPolarHBondContact CD2-O 3.22Å; D26-D45 HydrophobicContact CB-CB 4.24Å; D26-D45 PolarHBondContact N-O 2.95Å; D26-D45 PolarHBondContact O-N 3.2Å; Y28-D45 HydrophobicContact CE2-CB 4.38Å
46T90.7Very high91.1Very high26 Ų2673.5 Ų73.516%0.1639%0.385CS..EExtended strand (participates in β ladder)trans-129.2143.9-175.154.40000112.1K4 G48 R56K4-T46 WeakPolarHBondContact CE-O 3.48Å; K4-T46 PolarHBondContact NZ-O 3.25Å; T46-G48 PolarHBondContact O-N 3.14Å; T46-R56 HydrophobicContact CG2-CG 4.04Å
47A87.1Confident91.4Very high6 Ų671.7 Ų71.75%0.0536%0.362CS..  trans-60.3132.2171.500000111.5T23 V24 Y52 R56T23-A47 WeakPolarHBondContact O-CA 3.21Å; T23-A47 VanDerWaalsContact O-CB 3.31Å; T23-A47 WeakPolarHBondContact O-CB 3.46Å; V24-A47 PolarHBondContact O-N 2.92Å; A47-Y52 HydrophobicContact CB-CD1 4.16Å; A47-Y52 HydrophobicContact CB-CD2 3.49Å; A47-Y52 VanDerWaalsContact CB-CD2 3.49Å; A47-Y52 HydrophobicContact CB-CE2 4.16Å; A47-Y52 HydrophobicContact CB-CG 3.48Å; A47-Y52 VanDerWaalsContact CB-CG 3.48Å; A47-R56 PolarHBondContact O-NE 3.43Å; A47-R56 PolarHBondContact O-NH2 3.18Å
48G85.8Confident91.5Very high36 Ų3672.6 Ų72.637%0.37137%0.371SS..  trans-92.30.6176.100000114.6T46 W85T46-G48 PolarHBondContact O-N 3.14Å; G48-W85 WeakPolarHBondContact O-CH2 3.24Å
49Q87.5Confident91.5Very high90 Ų9068.4 Ų68.442%0.42134%0.344SS..SBendtrans-85150.9-179-67164-7.100110.4D51 Y52 R56Q49-D51 VanDerWaalsContact C-N 3.26Å; Q49-D51 PolarHBondContact O-N 2.98Å; Q49-Y52 HydrophobicContact CB-CD2 4.06Å; Q49-Y52 HydrophobicContact CB-CE2 4.49Å; Q49-Y52 PolarHBondContact O-N 3.48Å; Q49-R56 PolarHBondContact O-NH2 3.18Å
50E87.7Confident91.5Very high146 Ų14667.7 Ų67.768%0.68234%0.339SS*.G310 helixtrans-65.5-29.9-177.9-60.7-172.3165.700112.6Y52 D53E50-Y52 PolarHBondContact O-N 3.23Å; E50-D53 VanDerWaalsContact O-CB 3.29Å; E50-D53 WeakPolarHBondContact O-CB 3.43Å; E50-D53 VanDerWaalsContact O-CG 3.22Å; E50-D53 PolarHBondContact O-N 3.4Å
51D90.8Very high91.6Very high142 Ų14266.4 Ų66.476%0.75934%0.337SS*.G310 helixtrans-56-22176.5-60.3-32.3000113.1Q49Q49-D51 VanDerWaalsContact C-N 3.26Å; Q49-D51 PolarHBondContact O-N 2.98Å
52Y90.1Very high91.5Very high63 Ų6374.5 Ų74.525%0.24737%0.374CS..G310 helixtrans-105.48.8-179.5-60.6-87.3000113.6V24 A47 Q49 E50 R54 L55 R56V24-Y52 HydrophobicContact CB-CE1 4.29Å; V24-Y52 HydrophobicContact CG1-CD1 4.1Å; V24-Y52 HydrophobicContact CG1-CE1 3.59Å; V24-Y52 HydrophobicContact CG2-CE1 4.07Å; A47-Y52 HydrophobicContact CB-CD1 4.16Å; A47-Y52 HydrophobicContact CB-CD2 3.49Å; A47-Y52 VanDerWaalsContact CB-CD2 3.49Å; A47-Y52 HydrophobicContact CB-CE2 4.16Å; A47-Y52 HydrophobicContact CB-CG 3.48Å; A47-Y52 VanDerWaalsContact CB-CG 3.48Å; Q49-Y52 HydrophobicContact CB-CD2 4.06Å; Q49-Y52 HydrophobicContact CB-CE2 4.49Å; Q49-Y52 PolarHBondContact O-N 3.48Å; E50-Y52 PolarHBondContact O-N 3.23Å; Y52-R54 PolarHBondContact O-N 3.45Å; Y52-L55 HydrophobicContact CD1-CD1 3.94Å; Y52-L55 PolarHBondContact O-N 2.95Å; Y52-R56 PolarHBondContact O-N 2.89Å
53D91.4Very high91.6Very high54 Ų5474.7 Ų74.729%0.28937%0.369SS..THydrogen-bonded Turntrans-58.7-31.2-177.3-77.7-7.9000113.2E50 R56 P57 K84E50-D53 VanDerWaalsContact O-CB 3.29Å; E50-D53 WeakPolarHBondContact O-CB 3.43Å; E50-D53 VanDerWaalsContact O-CG 3.22Å; E50-D53 PolarHBondContact O-N 3.4Å; D53-R56 IonicContact OD1-CZ 3.28Å; D53-R56 VanDerWaalsContact OD1-CZ 3.28Å; D53-R56 IonicContact OD1-NH1 2.66Å; D53-R56 PolarHBondContact OD1-NH1 3.03Å; D53-R56 IonicContact OD1-NH2 2.86Å; D53-R56 PolarHBondContact OD1-NH2 3.36Å; D53-P57 WeakPolarHBondContact O-CD 3.45Å; D53-K84 WeakPolarHBondContact OD1-CE 3.23Å; D53-K84 IonicContact OD1-NZ 3.91Å; D53-K84 PolarHBondContact OD1-NZ 3.04Å; D53-K84 IonicContact OD2-NZ 3.68Å; D53-K84 PolarHBondContact OD2-NZ 3.35Å
54R91.3Very high91.8Very high234 Ų23479.5 Ų79.588%0.88340%0.395SS*.THydrogen-bonded Turntrans-81.1-23.4176.4-64.1-175.7-178.8-177.71.1113.7Y52Y52-R54 PolarHBondContact O-N 3.45Å
55L90.9Very high92Very high96 Ų9674 Ų7450%0.50338%0.377SS..THydrogen-bonded Turntrans-91-35.6-177.1-67.7175.1000111.7Y52 P57 L58Y52-L55 HydrophobicContact CD1-CD1 3.94Å; Y52-L55 PolarHBondContact O-N 2.95Å; L55-P57 VanDerWaalsContact C-CD 3.48Å; L55-L58 HydrophobicContact CD2-CD1 4.08Å; L55-L58 VanDerWaalsContact O-CB 3.24Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 WeakPolarHBondContact O-CG 3.42Å; L55-L58 PolarHBondContact O-N 3.47Å
56R94.2Very high92.3Very high9 Ų974.9 Ų74.93%0.03438%0.381CS..G310 helixtrans-53.6-42.1-178.1-163.9-176.2-47.3104.37114T46 A47 Q49 Y52 D53 L58 S59 Y60 E88T46-R56 HydrophobicContact CG2-CG 4.04Å; A47-R56 PolarHBondContact O-NE 3.43Å; A47-R56 PolarHBondContact O-NH2 3.18Å; Q49-R56 PolarHBondContact O-NH2 3.18Å; Y52-R56 PolarHBondContact O-N 2.89Å; D53-R56 IonicContact OD1-CZ 3.28Å; D53-R56 VanDerWaalsContact OD1-CZ 3.28Å; D53-R56 IonicContact OD1-NH1 2.66Å; D53-R56 PolarHBondContact OD1-NH1 3.03Å; D53-R56 IonicContact OD1-NH2 2.86Å; D53-R56 PolarHBondContact OD1-NH2 3.36Å; R56-L58 PolarHBondContact O-N 3.45Å; R56-L58 VanDerWaalsContact O-N 3.11Å; R56-S59 PolarHBondContact O-N 2.79Å; R56-S59 VanDerWaalsContact O-N 3.08Å; R56-Y60 WeakPolarHBondContact CD-OH 3.47Å; R56-Y60 HydrophobicContact CG-CE1 4.07Å; R56-Y60 WeakPolarHBondContact CG-OH 3.31Å; R56-E88 WeakPolarHBondContact CD-OE1 3.24Å; R56-E88 IonicContact CZ-OE1 2.94Å; R56-E88 VanDerWaalsContact NH1-CD 3.29Å; R56-E88 IonicContact NH1-OE1 2.7Å; R56-E88 PolarHBondContact NH1-OE1 2.81Å; R56-E88 IonicContact NH1-OE2 2.76Å; R56-E88 PolarHBondContact NH1-OE2 2.66Å
57P94.6Very high92.7Very high25 Ų2575.8 Ų75.816%0.16239%0.385CS..G310 helixtrans-64.4-17-180-24.736.7000114.8D53 L55 S59 Y60D53-P57 WeakPolarHBondContact O-CD 3.45Å; L55-P57 VanDerWaalsContact C-CD 3.48Å; P57-S59 PolarHBondContact O-N 3.46Å; P57-Y60 HydrophobicContact CB-CD2 4Å; P57-Y60 HydrophobicContact CB-CE2 4.15Å; P57-Y60 HydrophobicContact CG-CE2 4.28Å; P57-Y60 WeakPolarHBondContact O-CB 3.49Å; P57-Y60 PolarHBondContact O-N 2.95Å
58L92.8Very high93.2Very high128 Ų12875.9 Ų75.967%0.6739%0.385SS*.G310 helixtrans-66.6-20.3175.5-56.8178000112.3L55 R56 P61L55-L58 HydrophobicContact CD2-CD1 4.08Å; L55-L58 VanDerWaalsContact O-CB 3.24Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 WeakPolarHBondContact O-CG 3.42Å; L55-L58 PolarHBondContact O-N 3.47Å; R56-L58 PolarHBondContact O-N 3.45Å; R56-L58 VanDerWaalsContact O-N 3.11Å; L58-P61 WeakPolarHBondContact O-CD 3.34Å
59S92.7Very high93.9Very high20 Ų2074.7 Ų74.714%0.1437%0.37CS..G310 helixtrans-88.7-6.1177.3-48.70000113.9F25 R56 P57F25-S59 WeakPolarHBondContact CD2-OG 3.21Å; F25-S59 WeakPolarHBondContact CE2-OG 3.48Å; R56-S59 PolarHBondContact O-N 2.79Å; R56-S59 VanDerWaalsContact O-N 3.08Å; P57-S59 PolarHBondContact O-N 3.46Å
60Y95.4Very high94.4Very high15 Ų1570.4 Ų70.46%0.05935%0.35CS..  trans-82.7-30-174.3-63.6-12.7000116.6R56 P57 Q62 T63 F66 E88 H92R56-Y60 WeakPolarHBondContact CD-OH 3.47Å; R56-Y60 HydrophobicContact CG-CE1 4.07Å; R56-Y60 WeakPolarHBondContact CG-OH 3.31Å; P57-Y60 HydrophobicContact CB-CD2 4Å; P57-Y60 HydrophobicContact CB-CE2 4.15Å; P57-Y60 HydrophobicContact CG-CE2 4.28Å; P57-Y60 WeakPolarHBondContact O-CB 3.49Å; P57-Y60 PolarHBondContact O-N 2.95Å; Y60-Q62 PolarHBondContact O-N 3.41Å; Y60-T63 VanDerWaalsContact O-CB 3.31Å; Y60-T63 WeakPolarHBondContact O-CB 3.14Å; Y60-T63 PolarHBondContact O-N 3.45Å; Y60-T63 VanDerWaalsContact O-N 3.12Å; Y60-T63 PolarHBondContact O-OG1 2.93Å; Y60-F66 AromaticContact CD1-CE1 3.54Å; Y60-F66 HydrophobicContact CD1-CE1 3.54Å; Y60-F66 AromaticContact CD1-CZ 3.86Å; Y60-F66 HydrophobicContact CD1-CZ 3.86Å; Y60-F66 AromaticContact CE1-CE1 3.77Å; Y60-F66 HydrophobicContact CE1-CE1 3.77Å; Y60-F66 HydrophobicContact CE1-CZ 4.45Å; Y60-F66 HydrophobicContact CG-CE1 4.12Å; Y60-F66 AromaticContact CG-CZ 3.99Å; Y60-F66 HydrophobicContact CG-CZ 3.99Å; Y60-E88 HydrophobicContact CE2-CG 4.27Å; Y60-E88 PolarHBondContact OH-OE1 3.22Å; Y60-H92 HydrophobicContact CD2-CB 3.58Å; Y60-H92 AromaticContact CD2-CD2 3.91Å; Y60-H92 AromaticContact CD2-CG 3.81Å; Y60-H92 HydrophobicContact CE2-CB 4.27Å; Y60-H92 AromaticContact CE2-CD2 3.86Å
61P94.4Very high94.9Very high90 Ų9063.5 Ų63.558%0.58432%0.318SS*.THydrogen-bonded Turntrans-51.7136.7179.1-28.836.4000112.2L58 T63L58-P61 WeakPolarHBondContact O-CD 3.34Å; P61-T63 PolarHBondContact O-N 3.37Å
62Q92.3Very high95.3Very high193 Ų19356.8 Ų56.890%0.90228%0.282SS*.THydrogen-bonded Turntrans62.819.7179.1-49.8176.6-68.700114.9Y60 D64Y60-Q62 PolarHBondContact O-N 3.41Å; Q62-D64 PolarHBondContact O-N 3.46Å
63T96.6Very high95.7Very high33 Ų3354.3 Ų54.320%0.20227%0.274CS..  trans-71.5123.5173.1-610000111.4Y60 P61 V65 F66 T96Y60-T63 VanDerWaalsContact O-CB 3.31Å; Y60-T63 WeakPolarHBondContact O-CB 3.14Å; Y60-T63 PolarHBondContact O-N 3.45Å; Y60-T63 VanDerWaalsContact O-N 3.12Å; Y60-T63 PolarHBondContact O-OG1 2.93Å; P61-T63 PolarHBondContact O-N 3.37Å; T63-V65 VanDerWaalsContact CG2-O 3.23Å; T63-V65 WeakPolarHBondContact CG2-O 3.48Å; T63-F66 HydrophobicContact CG2-CD1 4.2Å; T63-F66 HydrophobicContact CG2-CD2 3.78Å; T63-F66 HydrophobicContact CG2-CE1 3.93Å; T63-F66 HydrophobicContact CG2-CE2 3.47Å; T63-F66 VanDerWaalsContact CG2-CE2 3.47Å; T63-F66 HydrophobicContact CG2-CG 4.13Å; T63-F66 HydrophobicContact CG2-CZ 3.56Å; T63-T96 HydrophobicContact CG2-CG2 4.29Å; T63-T96 WeakPolarHBondContact O-CG2 3.39Å; T63-T96 PolarHBondContact O-OG1 3.19Å
64D96.9Very high96Very high115 Ų11553.9 Ų53.962%0.61528%0.275SS*.SBendtrans-81.1-30.7177.6-61.2-59.4000113.5Q62 T96 P97 V164Q62-D64 PolarHBondContact O-N 3.46Å; D64-T96 WeakPolarHBondContact O-CG2 3.12Å; D64-P97 VanDerWaalsContact O-CD 3.23Å; D64-P97 WeakPolarHBondContact O-CD 3.15Å; D64-P97 VanDerWaalsContact O-CG 3.24Å; D64-P97 WeakPolarHBondContact O-CG 3.48Å; D64-V164 HydrophobicContact CB-CG1 3.98Å; D64-V164 HydrophobicContact CB-CG2 3.75Å
65V97.8Very high96.3Very high30 Ų3043.8 Ų43.818%0.18224%0.24CC..  trans-155.2141.3-179.9600000111.2T63 P97 I99 A160 V164T63-V65 VanDerWaalsContact CG2-O 3.23Å; T63-V65 WeakPolarHBondContact CG2-O 3.48Å; V65-P97 HydrophobicContact CB-CG 4.15Å; V65-P97 HydrophobicContact CG2-CB 4.49Å; V65-P97 HydrophobicContact CG2-CG 4.2Å; V65-I99 HydrophobicContact CG2-CG1 4.49Å; V65-A160 HydrophobicContact CG1-CB 4.09Å; V65-A160 HydrophobicContact CG2-CB 4.33Å; V65-V164 HydrophobicContact CB-CG2 3.83Å; V65-V164 HydrophobicContact CG1-CG2 3.97Å
66F98.3Very high96.7Very high22 Ų2242.3 Ų42.310%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-105.3138.2174-76.2-85.2000112.3Y60 T63 V89 C93 T96 P97 I98 I99Y60-F66 AromaticContact CD1-CE1 3.54Å; Y60-F66 HydrophobicContact CD1-CE1 3.54Å; Y60-F66 AromaticContact CD1-CZ 3.86Å; Y60-F66 HydrophobicContact CD1-CZ 3.86Å; Y60-F66 AromaticContact CE1-CE1 3.77Å; Y60-F66 HydrophobicContact CE1-CE1 3.77Å; Y60-F66 HydrophobicContact CE1-CZ 4.45Å; Y60-F66 HydrophobicContact CG-CE1 4.12Å; Y60-F66 AromaticContact CG-CZ 3.99Å; Y60-F66 HydrophobicContact CG-CZ 3.99Å; T63-F66 HydrophobicContact CG2-CD1 4.2Å; T63-F66 HydrophobicContact CG2-CD2 3.78Å; T63-F66 HydrophobicContact CG2-CE1 3.93Å; T63-F66 HydrophobicContact CG2-CE2 3.47Å; T63-F66 VanDerWaalsContact CG2-CE2 3.47Å; T63-F66 HydrophobicContact CG2-CG 4.13Å; T63-F66 HydrophobicContact CG2-CZ 3.56Å; F66-V89 HydrophobicContact CB-CG1 4.13Å; F66-V89 HydrophobicContact CD1-CG1 4.16Å; F66-V89 HydrophobicContact CD1-CG2 4.02Å; F66-V89 HydrophobicContact CD2-CG1 3.56Å; F66-V89 HydrophobicContact CE1-CG2 4.38Å; F66-V89 HydrophobicContact CE2-CG1 3.97Å; F66-V89 HydrophobicContact CG-CG1 3.67Å; F66-V89 HydrophobicContact CG-CG2 4.28Å; F66-V89 HydrophobicContact CZ-CG1 4.42Å; F66-C93 HydrophobicContact CD2-CB 4.41Å; F66-C93 HydrophobicContact CE2-CB 3.48Å; F66-C93 VanDerWaalsContact CE2-CB 3.48Å; F66-C93 HydrophobicContact CZ-CB 4.06Å; F66-T96 HydrophobicContact CD2-CG2 3.5Å; F66-T96 HydrophobicContact CE2-CG2 3.72Å; F66-P97 PolarHBondContact N-O 3.35Å; F66-I98 HydrophobicContact CB-CG1 4.3Å; F66-I98 WeakPolarHBondContact O-CA 3.4Å; F66-I99 PolarHBondContact O-N 3.25Å
67L98.4Very high96.9Very high45 Ų4542.3 Ų42.324%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-102.4107.6164.8-57.4-173.4000109.5L7 I99 V101 V156 F157 A160L7-L67 HydrophobicContact CD2-CD1 4.43Å; L67-I99 HydrophobicContact CD2-CB 3.76Å; L67-I99 HydrophobicContact CD2-CD1 4.36Å; L67-I99 HydrophobicContact CD2-CG1 4.43Å; L67-I99 HydrophobicContact CD2-CG2 4.24Å; L67-V101 HydrophobicContact CB-CG2 4.38Å; L67-V101 HydrophobicContact CD2-CG2 4.23Å; L67-V156 HydrophobicContact CD1-CG1 3.91Å; L67-V156 HydrophobicContact CD2-CG1 4.31Å; L67-F157 HydrophobicContact CD1-CE1 4.33Å; L67-A160 HydrophobicContact CD2-CB 4.06Å
68I98.5Very high97.1Very high8 Ų841.9 Ų41.94%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-88.8113.5169.6-63.3-178.5000108V81 W85 V89 I98 I99 L100 V101I68-V81 HydrophobicContact CG2-CB 4.5Å; I68-V81 HydrophobicContact CG2-CG1 4.05Å; I68-V81 HydrophobicContact CG2-CG2 4.11Å; I68-W85 HydrophobicContact CD1-CB 4.24Å; I68-W85 HydrophobicContact CG2-CB 3.76Å; I68-W85 HydrophobicContact CG2-CG 4.34Å; I68-V89 HydrophobicContact CD1-CB 4.5Å; I68-V89 HydrophobicContact CD1-CG2 4.21Å; I68-V89 HydrophobicContact CG1-CG2 4.42Å; I68-I98 HydrophobicContact CB-CG2 4.36Å; I68-I98 HydrophobicContact CD1-CD1 4.19Å; I68-I98 HydrophobicContact CD1-CG2 3.73Å; I68-I98 HydrophobicContact CG1-CG2 3.87Å; I68-I99 PolarHBondContact N-O 3.32Å; I68-L100 HydrophobicContact CB-CD1 4.4Å; I68-L100 HydrophobicContact CG2-CD1 4.18Å; I68-V101 PolarHBondContact O-N 3.19Å
69C98.6Very high97.3Very high10 Ų1039.3 Ų39.37%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-102.8138.1-176.2-59.10000111.8V2 K4 V101 T103V2-C69 HydrophobicContact CG2-CB 4.1Å; K4-C69 HydrophobicContact CD-CB 4.38Å; K4-C69 HydrophobicContact CG-CB 4.05Å; C69-V101 WeakPolarHBondContact CA-O 3.24Å; C69-T103 HydrophobicContact CB-CG2 4.1Å
70F98.8Very high97.6Very high0 Ų041.8 Ų41.80%024%0.235CC..EExtended strand (participates in β ladder)trans-134.4157.8165.473.4-84.2000109.9L72 S77 F78 V81 L100 V101 T103 I125 Y142F70-L72 HydrophobicContact CE2-CD2 3.65Å; F70-L72 HydrophobicContact CZ-CD2 3.88Å; F70-S77 WeakPolarHBondContact CB-O 3.34Å; F70-F78 HydrophobicContact CD1-CD2 4.1Å; F70-F78 HydrophobicContact CD2-CB 3.71Å; F70-F78 AromaticContact CD2-CD2 3.61Å; F70-F78 HydrophobicContact CD2-CD2 3.61Å; F70-F78 HydrophobicContact CD2-CG 4.1Å; F70-F78 AromaticContact CE1-CD2 3.9Å; F70-F78 HydrophobicContact CE1-CD2 3.9Å; F70-F78 HydrophobicContact CE1-CE2 4.2Å; F70-F78 HydrophobicContact CE2-CB 4.14Å; F70-F78 AromaticContact CE2-CD2 3.38Å; F70-F78 HydrophobicContact CE2-CD2 3.38Å; F70-F78 HydrophobicContact CE2-CE2 4.1Å; F70-F78 HydrophobicContact CE2-CG 4.09Å; F70-F78 HydrophobicContact CG-CB 4.28Å; F70-F78 AromaticContact CG-CD2 3.95Å; F70-F78 HydrophobicContact CG-CD2 3.95Å; F70-F78 AromaticContact CZ-CD2 3.53Å; F70-F78 HydrophobicContact CZ-CD2 3.53Å; F70-F78 AromaticContact CZ-CE2 3.84Å; F70-F78 HydrophobicContact CZ-CE2 3.84Å; F70-V81 HydrophobicContact CB-CG2 3.93Å; F70-V81 HydrophobicContact CD1-CG2 4.16Å; F70-V81 HydrophobicContact CG-CG2 4.31Å; F70-L100 HydrophobicContact CD1-CD1 3.81Å; F70-L100 HydrophobicContact CD1-CG 4.24Å; F70-L100 HydrophobicContact CE1-CD1 3.99Å; F70-L100 HydrophobicContact CE1-CD2 4.1Å; F70-L100 HydrophobicContact CE1-CG 3.9Å; F70-V101 WeakPolarHBondContact CD1-O 3.48Å; F70-V101 PolarHBondContact N-O 3.24Å; F70-T103 PolarHBondContact O-N 2.9Å; F70-T103 PolarHBondContact O-OG1 3.01Å; F70-I125 HydrophobicContact CE2-CB 4.01Å; F70-I125 HydrophobicContact CE2-CG1 4.08Å; F70-I125 HydrophobicContact CE2-CG2 3.82Å; F70-I125 HydrophobicContact CZ-CG2 4.2Å; F70-Y142 AromaticContact CE1-CE2 3.84Å; F70-Y142 HydrophobicContact CE1-CE2 3.84Å; F70-Y142 AromaticContact CZ-CE2 3.98Å; F70-Y142 HydrophobicContact CZ-CE2 3.98Å
71S98.6Very high97.8Very high2 Ų241 Ų411%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-90.9131.3176.6179.60000111V73 S74 S77 T103 K104S71-V73 PolarHBondContact O-N 3.42Å; S71-V73 WeakPolarHBondContact OG-CG2 3.28Å; S71-V73 PolarHBondContact OG-N 2.98Å; S71-S74 PolarHBondContact O-N 2.86Å; S71-S77 PolarHBondContact N-OG 3.01Å; S71-S77 PolarHBondContact O-OG 3.39Å; S71-T103 WeakPolarHBondContact CA-OG1 3.26Å; S71-K104 WeakPolarHBondContact OG-CD 3.24Å
72L98.8Very high97.9Very high0 Ų041.8 Ų41.80%022%0.223CC..THydrogen-bonded Turntrans-61-18.4178-66.8174000113.3F70 T103 L105 R108 P124 I125 E144F70-L72 HydrophobicContact CE2-CD2 3.65Å; F70-L72 HydrophobicContact CZ-CD2 3.88Å; L72-T103 WeakPolarHBondContact CB-O 3.33Å; L72-T103 WeakPolarHBondContact CG-O 3.33Å; L72-T103 PolarHBondContact N-O 2.91Å; L72-L105 HydrophobicContact CD1-CB 3.93Å; L72-L105 HydrophobicContact CD1-CD1 3.73Å; L72-L105 HydrophobicContact CD1-CG 4.46Å; L72-R108 VanDerWaalsContact CD1-NH2 3.28Å; L72-P124 CarbonylContact O-C 3.24Å; L72-P124 VanDerWaalsContact O-CA 3.26Å; L72-P124 WeakPolarHBondContact O-CA 3.16Å; L72-I125 HydrophobicContact CD2-CB 4.25Å; L72-I125 PolarHBondContact O-N 3.41Å; L72-E144 HydrophobicContact CD1-CB 4.32Å; L72-E144 HydrophobicContact CD1-CG 4.25Å; L72-E144 HydrophobicContact CD2-CG 4.46Å
73V98.4Very high98.2Very high12 Ų1236.2 Ų36.27%0.07321%0.21CC..THydrogen-bonded Turntrans-111.520.9178.4-61.80000112.5S71 L107 T113 L117 P124S71-V73 PolarHBondContact O-N 3.42Å; S71-V73 WeakPolarHBondContact OG-CG2 3.28Å; S71-V73 PolarHBondContact OG-N 2.98Å; V73-L107 HydrophobicContact CB-CB 4.43Å; V73-L107 HydrophobicContact CG1-CB 3.68Å; V73-L107 WeakPolarHBondContact CG1-O 3.29Å; V73-L107 HydrophobicContact CG2-CB 3.97Å; V73-L107 HydrophobicContact CG2-CD1 3.84Å; V73-T113 HydrophobicContact CB-CG2 3.73Å; V73-T113 HydrophobicContact CG1-CG2 3.62Å; V73-T113 HydrophobicContact CG2-CG2 4.2Å; V73-L117 HydrophobicContact CB-CD1 4.07Å; V73-L117 HydrophobicContact CG1-CD1 4.39Å; V73-P124 HydrophobicContact CG1-CB 4.36Å; V73-P124 HydrophobicContact CG1-CG 4.48Å
74S98.3Very high98.2Very high44 Ų4436.4 Ų36.431%0.30821%0.208SC..  trans-136.989.5173.4-176.40000110.4S71 A76 S77 F78S71-S74 PolarHBondContact O-N 2.86Å; S74-A76 PolarHBondContact O-N 3.24Å; S74-S77 WeakPolarHBondContact CB-OG 3.31Å; S74-S77 WeakPolarHBondContact O-CB 3.22Å; S74-S77 PolarHBondContact O-N 3.46Å; S74-S77 PolarHBondContact O-OG 3.4Å; S74-F78 PolarHBondContact O-N 2.92Å
75P98.1Very high98.3Very high23 Ų2333 Ų3315%0.14919%0.186CC..Hα-helixtrans-55.1-36178.5-3037.8000114.1S77 F78 E79 L122 A123 I125P75-S77 VanDerWaalsContact C-N 3.3Å; P75-S77 PolarHBondContact O-N 2.93Å; P75-F78 WeakPolarHBondContact O-CB 3.36Å; P75-F78 PolarHBondContact O-N 3.41Å; P75-F78 VanDerWaalsContact O-N 3.09Å; P75-E79 WeakPolarHBondContact O-CG 3.48Å; P75-E79 PolarHBondContact O-N 2.76Å; P75-L122 HydrophobicContact CB-CD2 4.44Å; P75-L122 HydrophobicContact CG-CB 4.29Å; P75-L122 HydrophobicContact CG-CD1 4.41Å; P75-L122 HydrophobicContact CG-CD2 4.28Å; P75-A123 WeakPolarHBondContact CG-O 3.35Å; P75-I125 HydrophobicContact CB-CD1 4.2Å; P75-I125 HydrophobicContact CG-CD1 4.25Å
76A97.8Very high98.3Very high65 Ų6535 Ų3554%0.53719%0.191SC..Hα-helixtrans-59.5-39.2173.800000112.7S74 F78 E79 N80S74-A76 PolarHBondContact O-N 3.24Å; A76-F78 VanDerWaalsContact C-N 3.27Å; A76-F78 PolarHBondContact O-N 3.24Å; A76-E79 PolarHBondContact O-N 2.85Å; A76-N80 VanDerWaalsContact O-CG 3.23Å; A76-N80 PolarHBondContact O-N 2.91Å; A76-N80 PolarHBondContact O-OD1 3.06Å
77S98.5Very high98.3Very high9 Ų936.7 Ų36.76%0.06321%0.205CC..Hα-helixtrans-68.3-28.8176.876.10000113F70 S71 S74 P75F70-S77 WeakPolarHBondContact CB-O 3.34Å; S71-S77 PolarHBondContact N-OG 3.01Å; S71-S77 PolarHBondContact O-OG 3.39Å; S74-S77 WeakPolarHBondContact CB-OG 3.31Å; S74-S77 WeakPolarHBondContact O-CB 3.22Å; S74-S77 PolarHBondContact O-N 3.46Å; S74-S77 PolarHBondContact O-OG 3.4Å; P75-S77 VanDerWaalsContact C-N 3.3Å; P75-S77 PolarHBondContact O-N 2.93Å
78F98.7Very high98.3Very high16 Ų1636 Ų367%0.0720%0.2CC..Hα-helixtrans-70.9-42.8174.7178.5-114.6000111.1F70 S74 P75 A76 N80 V81 I125 Q129 M133F70-F78 HydrophobicContact CD1-CD2 4.1Å; F70-F78 HydrophobicContact CD2-CB 3.71Å; F70-F78 AromaticContact CD2-CD2 3.61Å; F70-F78 HydrophobicContact CD2-CD2 3.61Å; F70-F78 HydrophobicContact CD2-CG 4.1Å; F70-F78 AromaticContact CE1-CD2 3.9Å; F70-F78 HydrophobicContact CE1-CD2 3.9Å; F70-F78 HydrophobicContact CE1-CE2 4.2Å; F70-F78 HydrophobicContact CE2-CB 4.14Å; F70-F78 AromaticContact CE2-CD2 3.38Å; F70-F78 HydrophobicContact CE2-CD2 3.38Å; F70-F78 HydrophobicContact CE2-CE2 4.1Å; F70-F78 HydrophobicContact CE2-CG 4.09Å; F70-F78 HydrophobicContact CG-CB 4.28Å; F70-F78 AromaticContact CG-CD2 3.95Å; F70-F78 HydrophobicContact CG-CD2 3.95Å; F70-F78 AromaticContact CZ-CD2 3.53Å; F70-F78 HydrophobicContact CZ-CD2 3.53Å; F70-F78 AromaticContact CZ-CE2 3.84Å; F70-F78 HydrophobicContact CZ-CE2 3.84Å; S74-F78 PolarHBondContact O-N 2.92Å; P75-F78 WeakPolarHBondContact O-CB 3.36Å; P75-F78 PolarHBondContact O-N 3.41Å; P75-F78 VanDerWaalsContact O-N 3.09Å; A76-F78 VanDerWaalsContact C-N 3.27Å; A76-F78 PolarHBondContact O-N 3.24Å; F78-N80 VanDerWaalsContact C-N 3.32Å; F78-N80 PolarHBondContact O-N 2.96Å; F78-V81 WeakPolarHBondContact O-CB 3.32Å; F78-V81 WeakPolarHBondContact O-CG2 3.49Å; F78-V81 PolarHBondContact O-N 2.67Å; F78-V81 VanDerWaalsContact O-N 3.14Å; F78-I125 HydrophobicContact CB-CD1 4.07Å; F78-I125 HydrophobicContact CB-CG1 3.98Å; F78-I125 HydrophobicContact CD1-CD1 3.76Å; F78-I125 HydrophobicContact CD1-CG1 4.31Å; F78-I125 HydrophobicContact CD1-CG2 4.49Å; F78-I125 HydrophobicContact CD2-CG2 4.18Å; F78-I125 HydrophobicContact CE1-CD1 4.39Å; F78-I125 HydrophobicContact CE1-CG2 4.45Å; F78-I125 HydrophobicContact CE2-CG2 4.14Å; F78-I125 HydrophobicContact CG-CD1 3.99Å; F78-I125 HydrophobicContact CG-CG1 4.04Å; F78-I125 HydrophobicContact CG-CG2 4.33Å; F78-I125 HydrophobicContact CZ-CG2 4.26Å; F78-Q129 HydrophobicContact CZ-CB 4.27Å; F78-Q129 WeakPolarHBondContact CZ-O 3.07Å; F78-M133 HydrophobicContact CD1-CE 4.25Å; F78-M133 HydrophobicContact CD2-CE 4.38Å; F78-M133 HydrophobicContact CD2-CG 4.48Å; F78-M133 HydrophobicContact CE1-CE 3.85Å; F78-M133 HydrophobicContact CE2-CB 3.48Å; F78-M133 VanDerWaalsContact CE2-CB 3.48Å; F78-M133 HydrophobicContact CE2-CE 4Å; F78-M133 HydrophobicContact CE2-CG 3.75Å; F78-M133 HydrophobicContact CZ-CB 3.51Å; F78-M133 HydrophobicContact CZ-CE 3.74Å; F78-M133 HydrophobicContact CZ-CG 4.1Å
79E98.3Very high98.3Very high74 Ų7435.9 Ų35.935%0.34620%0.2SC..Hα-helixtrans-62.3-38.1174.1-69.1-57.9144.500112.8P75 A76 V81 R82 A83P75-E79 WeakPolarHBondContact O-CG 3.48Å; P75-E79 PolarHBondContact O-N 2.76Å; A76-E79 PolarHBondContact O-N 2.85Å; E79-V81 PolarHBondContact O-N 2.86Å; E79-V81 VanDerWaalsContact O-N 3.09Å; E79-R82 VanDerWaalsContact CD-NH2 3.27Å; E79-R82 VanDerWaalsContact O-CG 3.28Å; E79-R82 WeakPolarHBondContact O-CG 3.34Å; E79-R82 PolarHBondContact O-N 3.44Å; E79-R82 IonicContact OE1-CZ 3.7Å; E79-R82 IonicContact OE1-NH2 2.76Å; E79-R82 PolarHBondContact OE1-NH2 3.41Å; E79-R82 IonicContact OE2-CZ 3.66Å; E79-R82 IonicContact OE2-NE 2.63Å; E79-R82 PolarHBondContact OE2-NE 2.86Å; E79-R82 IonicContact OE2-NH2 2.67Å; E79-R82 PolarHBondContact OE2-NH2 3.36Å; E79-A83 PolarHBondContact O-N 3.49Å; E79-A83 VanDerWaalsContact O-N 3.13Å
80N98.3Very high98.2Very high71 Ų7138.2 Ų38.238%0.3821%0.207SC..Hα-helixtrans-62-18.4176.6-71.2-12.3000113.6A76 F78 K84 W85A76-N80 VanDerWaalsContact O-CG 3.23Å; A76-N80 PolarHBondContact O-N 2.91Å; A76-N80 PolarHBondContact O-OD1 3.06Å; F78-N80 VanDerWaalsContact C-N 3.32Å; F78-N80 PolarHBondContact O-N 2.96Å; N80-K84 WeakPolarHBondContact O-CA 3.44Å; N80-K84 WeakPolarHBondContact O-CB 3.31Å; N80-K84 PolarHBondContact O-N 2.63Å; N80-W85 VanDerWaalsContact O-CD1 3.28Å; N80-W85 PolarHBondContact O-N 3.18Å
81V98.6Very high98.2Very high0 Ų045.2 Ų45.20%024%0.24CC..Iπ-helixtrans-57.8-55.5173.6174.30000110.2I68 F70 F78 E79 W85 Y86 L100 M133 I137I68-V81 HydrophobicContact CG2-CB 4.5Å; I68-V81 HydrophobicContact CG2-CG1 4.05Å; I68-V81 HydrophobicContact CG2-CG2 4.11Å; F70-V81 HydrophobicContact CB-CG2 3.93Å; F70-V81 HydrophobicContact CD1-CG2 4.16Å; F70-V81 HydrophobicContact CG-CG2 4.31Å; F78-V81 WeakPolarHBondContact O-CB 3.32Å; F78-V81 WeakPolarHBondContact O-CG2 3.49Å; F78-V81 PolarHBondContact O-N 2.67Å; F78-V81 VanDerWaalsContact O-N 3.14Å; E79-V81 PolarHBondContact O-N 2.86Å; E79-V81 VanDerWaalsContact O-N 3.09Å; V81-W85 PolarHBondContact O-N 3.13Å; V81-Y86 WeakPolarHBondContact O-CB 3.38Å; V81-Y86 PolarHBondContact O-N 3.23Å; V81-L100 HydrophobicContact CG1-CD1 3.75Å; V81-L100 HydrophobicContact CG2-CD1 4.01Å; V81-M133 HydrophobicContact CB-CG 4.34Å; V81-M133 HydrophobicContact CB-SD 4.18Å; V81-M133 HydrophobicContact CG1-CG 3.87Å; V81-M133 HydrophobicContact CG1-SD 3.92Å; V81-I137 HydrophobicContact CG1-CD1 3.88Å; V81-I137 HydrophobicContact CG1-CG2 4.26Å
82R98.1Very high98.1Very high105 Ų10549.1 Ų49.140%0.39626%0.258SS..Iπ-helixtrans-78-32.7-18060.7178173.2-162.14.1113.2E79 P87 M133 E136E79-R82 VanDerWaalsContact CD-NH2 3.27Å; E79-R82 VanDerWaalsContact O-CG 3.28Å; E79-R82 WeakPolarHBondContact O-CG 3.34Å; E79-R82 PolarHBondContact O-N 3.44Å; E79-R82 IonicContact OE1-CZ 3.7Å; E79-R82 IonicContact OE1-NH2 2.76Å; E79-R82 PolarHBondContact OE1-NH2 3.41Å; E79-R82 IonicContact OE2-CZ 3.66Å; E79-R82 IonicContact OE2-NE 2.63Å; E79-R82 PolarHBondContact OE2-NE 2.86Å; E79-R82 IonicContact OE2-NH2 2.67Å; E79-R82 PolarHBondContact OE2-NH2 3.36Å; R82-P87 WeakPolarHBondContact O-CD 3.33Å; R82-P87 WeakPolarHBondContact O-CG 3.36Å; R82-M133 HydrophobicContact CB-CE 4.31Å; R82-M133 HydrophobicContact CB-SD 3.94Å; R82-M133 HydrophobicContact CG-CE 4.03Å; R82-M133 HydrophobicContact CG-SD 4.33Å; R82-E136 VanDerWaalsContact CD-OE1 3.24Å; R82-E136 WeakPolarHBondContact CD-OE1 3.48Å; R82-E136 IonicContact NH1-OE1 3.88Å; R82-E136 IonicContact NH1-OE2 3.08Å
83A97.9Very high98Very high77 Ų7749.9 Ų49.964%0.63626%0.263SS*.Iπ-helixtrans-78.1-28.6-175.500000113.5E79E79-A83 PolarHBondContact O-N 3.49Å; E79-A83 VanDerWaalsContact O-N 3.13Å
84K97.4Very high97.9Very high36 Ų3653 Ų5316%0.15728%0.283CS..Iπ-helixtrans-135.7-60.3-171.4178.1169.8178.3157.60113.7D53 N80 Y86 P87 E88D53-K84 WeakPolarHBondContact OD1-CE 3.23Å; D53-K84 IonicContact OD1-NZ 3.91Å; D53-K84 PolarHBondContact OD1-NZ 3.04Å; D53-K84 IonicContact OD2-NZ 3.68Å; D53-K84 PolarHBondContact OD2-NZ 3.35Å; N80-K84 WeakPolarHBondContact O-CA 3.44Å; N80-K84 WeakPolarHBondContact O-CB 3.31Å; N80-K84 PolarHBondContact O-N 2.63Å; K84-Y86 PolarHBondContact O-N 3.04Å; K84-P87 WeakPolarHBondContact O-CD 3.29Å; K84-E88 VanDerWaalsContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CB 3.5Å; K84-E88 PolarHBondContact O-N 3.26Å
85W98.3Very high97.6Very high43 Ų4358.3 Ų58.316%0.16331%0.308CS..Iπ-helixtrans-67.9-44.3-166.1-57.8125.5000113.1G48 I68 N80 V81 V89G48-W85 WeakPolarHBondContact O-CH2 3.24Å; I68-W85 HydrophobicContact CD1-CB 4.24Å; I68-W85 HydrophobicContact CG2-CB 3.76Å; I68-W85 HydrophobicContact CG2-CG 4.34Å; N80-W85 VanDerWaalsContact O-CD1 3.28Å; N80-W85 PolarHBondContact O-N 3.18Å; V81-W85 PolarHBondContact O-N 3.13Å; W85-V89 WeakPolarHBondContact O-CG2 3.24Å; W85-V89 PolarHBondContact O-N 3.2Å
86Y98.4Very high97.5Very high72 Ų7258.2 Ų58.228%0.28231%0.307SS..Hα-helixtrans-65.1-51177.7166.5-105.2000112.4V81 K84 E88 V89 R90 I98 I137V81-Y86 WeakPolarHBondContact O-CB 3.38Å; V81-Y86 PolarHBondContact O-N 3.23Å; K84-Y86 PolarHBondContact O-N 3.04Å; Y86-E88 VanDerWaalsContact C-N 3.31Å; Y86-E88 PolarHBondContact O-N 2.81Å; Y86-V89 PolarHBondContact O-N 3.11Å; Y86-R90 HydrophobicContact CD2-CG 3.7Å; Y86-R90 HydrophobicContact CE1-CG 4.39Å; Y86-R90 HydrophobicContact CE2-CG 3.28Å; Y86-R90 HydrophobicContact CG-CG 4.45Å; Y86-R90 WeakPolarHBondContact O-CB 3.2Å; Y86-R90 WeakPolarHBondContact O-CG 3.33Å; Y86-R90 PolarHBondContact O-N 2.79Å; Y86-I98 HydrophobicContact CD2-CD1 4.06Å; Y86-I98 HydrophobicContact CE2-CD1 4.42Å; Y86-I137 HydrophobicContact CD1-CB 4.35Å; Y86-I137 HydrophobicContact CD1-CG2 4.16Å; Y86-I137 HydrophobicContact CD2-CB 3.58Å; Y86-I137 HydrophobicContact CD2-CG2 4.14Å; Y86-I137 HydrophobicContact CE2-CB 3.86Å; Y86-I137 WeakPolarHBondContact CE2-O 3.44Å; Y86-I137 HydrophobicContact CG-CB 3.81Å; Y86-I137 HydrophobicContact CG-CG2 3.83Å
87P98.3Very high97.5Very high58 Ų5856.6 Ų56.638%0.37729%0.291SS..Hα-helixtrans-55.4-42.8175.1-27.734.6000113.6R82 K84 R90 H91R82-P87 WeakPolarHBondContact O-CD 3.33Å; R82-P87 WeakPolarHBondContact O-CG 3.36Å; K84-P87 WeakPolarHBondContact O-CD 3.29Å; P87-R90 PolarHBondContact O-N 3.39Å; P87-H91 VanDerWaalsContact O-CB 3.29Å; P87-H91 WeakPolarHBondContact O-CB 3.49Å; P87-H91 PolarHBondContact O-N 2.99Å
88E98.1Very high97.5Very high30 Ų3056.1 Ų56.114%0.1429%0.288CS..Hα-helixtrans-63.7-51179.8-172.4-178.9123.500111.9R56 Y60 K84 Y86 R90 H91 H92R56-E88 WeakPolarHBondContact CD-OE1 3.24Å; R56-E88 IonicContact CZ-OE1 2.94Å; R56-E88 VanDerWaalsContact NH1-CD 3.29Å; R56-E88 IonicContact NH1-OE1 2.7Å; R56-E88 PolarHBondContact NH1-OE1 2.81Å; R56-E88 IonicContact NH1-OE2 2.76Å; R56-E88 PolarHBondContact NH1-OE2 2.66Å; Y60-E88 HydrophobicContact CE2-CG 4.27Å; Y60-E88 PolarHBondContact OH-OE1 3.22Å; K84-E88 VanDerWaalsContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CB 3.5Å; K84-E88 PolarHBondContact O-N 3.26Å; Y86-E88 VanDerWaalsContact C-N 3.31Å; Y86-E88 PolarHBondContact O-N 2.81Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 2.84Å; E88-H91 PolarHBondContact O-N 2.94Å; E88-H92 PolarHBondContact O-CD2 3.36Å; E88-H92 PolarHBondContact O-N 3.12Å
89V97.8Very high97.5Very high7 Ų755.4 Ų55.44%0.04229%0.285CS..Hα-helixtrans-60.8-42.6177.9170.70000110.8F66 I68 W85 Y86 H91 H92 C93 I98F66-V89 HydrophobicContact CB-CG1 4.13Å; F66-V89 HydrophobicContact CD1-CG1 4.16Å; F66-V89 HydrophobicContact CD1-CG2 4.02Å; F66-V89 HydrophobicContact CD2-CG1 3.56Å; F66-V89 HydrophobicContact CE1-CG2 4.38Å; F66-V89 HydrophobicContact CE2-CG1 3.97Å; F66-V89 HydrophobicContact CG-CG1 3.67Å; F66-V89 HydrophobicContact CG-CG2 4.28Å; F66-V89 HydrophobicContact CZ-CG1 4.42Å; I68-V89 HydrophobicContact CD1-CB 4.5Å; I68-V89 HydrophobicContact CD1-CG2 4.21Å; I68-V89 HydrophobicContact CG1-CG2 4.42Å; W85-V89 WeakPolarHBondContact O-CG2 3.24Å; W85-V89 PolarHBondContact O-N 3.2Å; Y86-V89 PolarHBondContact O-N 3.11Å; V89-H91 VanDerWaalsContact C-N 3.34Å; V89-H91 PolarHBondContact O-N 2.68Å; V89-H92 PolarHBondContact O-N 3.25Å; V89-C93 CarbonylContact O-C 3.56Å; V89-C93 WeakPolarHBondContact O-CA 3.49Å; V89-C93 WeakPolarHBondContact O-CB 3.33Å; V89-C93 PolarHBondContact O-N 2.83Å; V89-I98 HydrophobicContact CB-CD1 4.36Å; V89-I98 HydrophobicContact CG1-CD1 3.71Å; V89-I98 HydrophobicContact CG1-CG1 4.05Å
90R97.3Very high97.5Very high59 Ų5951.9 Ų51.922%0.22327%0.268CS..Hα-helixtrans-69.6-30.6179.1-72.1-59.7-173.2-155.1-11.1113.6Y86 P87 E88 P94 T96 I98Y86-R90 HydrophobicContact CD2-CG 3.7Å; Y86-R90 HydrophobicContact CE1-CG 4.39Å; Y86-R90 HydrophobicContact CE2-CG 3.28Å; Y86-R90 HydrophobicContact CG-CG 4.45Å; Y86-R90 WeakPolarHBondContact O-CB 3.2Å; Y86-R90 WeakPolarHBondContact O-CG 3.33Å; Y86-R90 PolarHBondContact O-N 2.79Å; P87-R90 PolarHBondContact O-N 3.39Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 2.84Å; R90-P94 PolarHBondContact NH1-O 2.91Å; R90-P94 WeakPolarHBondContact O-CA 3.5Å; R90-T96 PolarHBondContact NH1-O 2.86Å; R90-I98 HydrophobicContact CG-CD1 4.48Å
91H97.4Very high97.6Very high147 Ų14748.5 Ų48.568%0.68125%0.25SS*.Hα-helixtrans-64.8-44.8175.4179.871.9000111.5P87 E88 V89P87-H91 VanDerWaalsContact O-CB 3.29Å; P87-H91 WeakPolarHBondContact O-CB 3.49Å; P87-H91 PolarHBondContact O-N 2.99Å; E88-H91 PolarHBondContact O-N 2.94Å; V89-H91 VanDerWaalsContact C-N 3.34Å; V89-H91 PolarHBondContact O-N 2.68Å
92H97.1Very high97.6Very high84 Ų8448.5 Ų48.539%0.38925%0.25SS..Hα-helixtrans-88.4-31.2-177.1-69.7-71.9000114.1Y60 E88 V89Y60-H92 HydrophobicContact CD2-CB 3.58Å; Y60-H92 AromaticContact CD2-CD2 3.91Å; Y60-H92 AromaticContact CD2-CG 3.81Å; Y60-H92 HydrophobicContact CE2-CB 4.27Å; Y60-H92 AromaticContact CE2-CD2 3.86Å; E88-H92 PolarHBondContact O-CD2 3.36Å; E88-H92 PolarHBondContact O-N 3.12Å; V89-H92 PolarHBondContact O-N 3.25Å
93C96.6Very high97.6Very high16 Ų1643.8 Ų43.811%0.10823%0.233CC..  trans-136.870.4-172.6-63.40000111.1F66 V89 N95 T96F66-C93 HydrophobicContact CD2-CB 4.41Å; F66-C93 HydrophobicContact CE2-CB 3.48Å; F66-C93 VanDerWaalsContact CE2-CB 3.48Å; F66-C93 HydrophobicContact CZ-CB 4.06Å; V89-C93 CarbonylContact O-C 3.56Å; V89-C93 WeakPolarHBondContact O-CA 3.49Å; V89-C93 WeakPolarHBondContact O-CB 3.33Å; V89-C93 PolarHBondContact O-N 2.83Å; C93-N95 VanDerWaalsContact C-N 3.29Å; C93-N95 PolarHBondContact O-N 3.19Å; C93-T96 PolarHBondContact O-N 3.11Å
94P95.6Very high97.6Very high78 Ų7843.5 Ų43.551%0.50622%0.217SC..THydrogen-bonded Turntrans-61.4-34.7-169.221.9-33.6000113.7R90R90-P94 PolarHBondContact NH1-O 2.91Å; R90-P94 WeakPolarHBondContact O-CA 3.5Å
95N93.4Very high97.7Very high154 Ų15442.4 Ų42.482%0.82421%0.213SC*.THydrogen-bonded Turntrans-100-5.1-172.5-59.4-41.4000114.1C93C93-N95 VanDerWaalsContact C-N 3.29Å; C93-N95 PolarHBondContact O-N 3.19Å
96T96.5Very high97.6Very high22 Ų2242.7 Ų42.714%0.13522%0.218CC..SBendtrans-75.2134.7-176.6-54.80000109.9T63 D64 F66 R90 C93T63-T96 HydrophobicContact CG2-CG2 4.29Å; T63-T96 WeakPolarHBondContact O-CG2 3.39Å; T63-T96 PolarHBondContact O-OG1 3.19Å; D64-T96 WeakPolarHBondContact O-CG2 3.12Å; F66-T96 HydrophobicContact CD2-CG2 3.5Å; F66-T96 HydrophobicContact CE2-CG2 3.72Å; R90-T96 PolarHBondContact NH1-O 2.86Å; C93-T96 PolarHBondContact O-N 3.11Å
97P97.4Very high97.6Very high30 Ų3041.3 Ų41.320%0.19522%0.215CC..  trans-62.6146175.624.5-33.6000111.4D64 V65 F66 V140 A163D64-P97 VanDerWaalsContact O-CD 3.23Å; D64-P97 WeakPolarHBondContact O-CD 3.15Å; D64-P97 VanDerWaalsContact O-CG 3.24Å; D64-P97 WeakPolarHBondContact O-CG 3.48Å; V65-P97 HydrophobicContact CB-CG 4.15Å; V65-P97 HydrophobicContact CG2-CB 4.49Å; V65-P97 HydrophobicContact CG2-CG 4.2Å; F66-P97 PolarHBondContact N-O 3.35Å; P97-V140 HydrophobicContact CB-CG1 3.95Å; P97-V140 HydrophobicContact CB-CG2 4.47Å; P97-A163 HydrophobicContact CB-CB 4.37Å
98I98.4Very high97.6Very high0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-121.9131.6179.1-62177.1000108.3F66 I68 Y86 V89 R90 I137 S139 V140F66-I98 HydrophobicContact CB-CG1 4.3Å; F66-I98 WeakPolarHBondContact O-CA 3.4Å; I68-I98 HydrophobicContact CB-CG2 4.36Å; I68-I98 HydrophobicContact CD1-CD1 4.19Å; I68-I98 HydrophobicContact CD1-CG2 3.73Å; I68-I98 HydrophobicContact CG1-CG2 3.87Å; Y86-I98 HydrophobicContact CD2-CD1 4.06Å; Y86-I98 HydrophobicContact CE2-CD1 4.42Å; V89-I98 HydrophobicContact CB-CD1 4.36Å; V89-I98 HydrophobicContact CG1-CD1 3.71Å; V89-I98 HydrophobicContact CG1-CG1 4.05Å; R90-I98 HydrophobicContact CG-CD1 4.48Å; I98-I137 HydrophobicContact CG2-CD1 4.45Å; I98-S139 CarbonylContact O-C 3.58Å; I98-S139 VanDerWaalsContact O-CA 3.24Å; I98-S139 WeakPolarHBondContact O-CA 3.46Å; I98-S139 VanDerWaalsContact O-CB 3.22Å; I98-S139 WeakPolarHBondContact O-CB 3.46Å; I98-V140 WeakPolarHBondContact O-CG2 3.45Å; I98-V140 PolarHBondContact O-N 3.46Å
99I98.5Very high97.4Very high1 Ų144.8 Ų44.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-106.9129.6164.7-61.9-175.6000108.3V65 F66 L67 I68 V101 V140 K141 L143 E159 A160V65-I99 HydrophobicContact CG2-CG1 4.49Å; F66-I99 PolarHBondContact O-N 3.25Å; L67-I99 HydrophobicContact CD2-CB 3.76Å; L67-I99 HydrophobicContact CD2-CD1 4.36Å; L67-I99 HydrophobicContact CD2-CG1 4.43Å; L67-I99 HydrophobicContact CD2-CG2 4.24Å; I68-I99 PolarHBondContact N-O 3.32Å; I99-V101 HydrophobicContact CG2-CG2 3.88Å; I99-V140 HydrophobicContact CD1-CG2 4.46Å; I99-V140 HydrophobicContact CG1-CG2 3.72Å; I99-K141 HydrophobicContact CG2-CB 4.47Å; I99-L143 HydrophobicContact CG2-CD1 4.06Å; I99-L143 HydrophobicContact CG2-CG 4.44Å; I99-E159 HydrophobicContact CD1-CB 4.09Å; I99-A160 HydrophobicContact CD1-CB 3.9Å; I99-A160 VanDerWaalsContact CD1-N 3.31Å
100L98.8Very high97.4Very high0 Ų047.2 Ų47.20%024%0.241CC..EExtended strand (participates in β ladder)trans-87.5126.6171.7-175.964.3000109.2I68 F70 V81 M133 A134 I137 K141 Y142 L143I68-L100 HydrophobicContact CB-CD1 4.4Å; I68-L100 HydrophobicContact CG2-CD1 4.18Å; F70-L100 HydrophobicContact CD1-CD1 3.81Å; F70-L100 HydrophobicContact CD1-CG 4.24Å; F70-L100 HydrophobicContact CE1-CD1 3.99Å; F70-L100 HydrophobicContact CE1-CD2 4.1Å; F70-L100 HydrophobicContact CE1-CG 3.9Å; V81-L100 HydrophobicContact CG1-CD1 3.75Å; V81-L100 HydrophobicContact CG2-CD1 4.01Å; L100-M133 HydrophobicContact CD2-CB 3.91Å; L100-M133 HydrophobicContact CD2-CG 3.69Å; L100-A134 HydrophobicContact CB-CB 4.34Å; L100-A134 HydrophobicContact CD2-CB 3.91Å; L100-I137 HydrophobicContact CB-CD1 4.3Å; L100-I137 HydrophobicContact CD1-CD1 4.17Å; L100-I137 HydrophobicContact CD2-CD1 4.44Å; L100-K141 PolarHBondContact N-O 2.94Å; L100-Y142 HydrophobicContact CB-CD2 4.09Å; L100-Y142 HydrophobicContact CD2-CD2 3.93Å; L100-Y142 HydrophobicContact CD2-CE2 4.31Å; L100-Y142 HydrophobicContact CG-CD2 3.92Å; L100-Y142 HydrophobicContact CG-CE2 4.29Å; L100-Y142 WeakPolarHBondContact O-CA 3.35Å; L100-Y142 WeakPolarHBondContact O-CD2 3.47Å; L100-L143 PolarHBondContact O-N 3.09Å
101V98.9Very high97.4Very high0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-121.9116-176.1-172.50000111L67 I68 C69 F70 I99 T103 L143 V156L67-V101 HydrophobicContact CB-CG2 4.38Å; L67-V101 HydrophobicContact CD2-CG2 4.23Å; I68-V101 PolarHBondContact O-N 3.19Å; C69-V101 WeakPolarHBondContact CA-O 3.24Å; F70-V101 WeakPolarHBondContact CD1-O 3.48Å; F70-V101 PolarHBondContact N-O 3.24Å; I99-V101 HydrophobicContact CG2-CG2 3.88Å; V101-T103 HydrophobicContact CG1-CG2 4.19Å; V101-L143 CarbonylContact C-O 3.52Å; V101-L143 WeakPolarHBondContact CA-O 3.34Å; V101-V156 HydrophobicContact CG1-CG1 4.31Å; V101-V156 HydrophobicContact CG1-CG2 3.98Å; V101-V156 HydrophobicContact CG2-CG1 3.85Å
102G98.8Very high97.4Very high0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-85.5110.5168.800000111L143 E144 C145G102-L143 PolarHBondContact N-O 2.93Å; G102-E144 CarbonylContact O-C 3.39Å; G102-E144 VanDerWaalsContact O-CA 3.24Å; G102-E144 WeakPolarHBondContact O-CA 2.93Å; G102-C145 PolarHBondContact O-N 3.3Å
103T98.8Very high97.4Very high5 Ų546.7 Ų46.73%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-95.9165.8-176.4680000112.5V2 C69 F70 S71 L72 V101 C145V2-T103 WeakPolarHBondContact O-CB 3.39Å; V2-T103 PolarHBondContact O-OG1 2.84Å; C69-T103 HydrophobicContact CB-CG2 4.1Å; F70-T103 PolarHBondContact O-N 2.9Å; F70-T103 PolarHBondContact O-OG1 3.01Å; S71-T103 WeakPolarHBondContact CA-OG1 3.26Å; L72-T103 WeakPolarHBondContact CB-O 3.33Å; L72-T103 WeakPolarHBondContact CG-O 3.33Å; L72-T103 PolarHBondContact N-O 2.91Å; V101-T103 HydrophobicContact CG1-CG2 4.19Å; T103-C145 CarbonylContact C-O 3.47Å; T103-C145 WeakPolarHBondContact CA-O 3.45Å
104K98.1Very high97.5Very high71 Ų7148.3 Ų48.331%0.30925%0.251SS..  trans6243.3-179.9-45-166.7-172.2-173.70112.6A1 S71 D106 L107 C145A1-K104 PolarHBondContact O-NZ 3.14Å; S71-K104 WeakPolarHBondContact OG-CD 3.24Å; K104-D106 PolarHBondContact O-N 3.36Å; K104-L107 HydrophobicContact CB-CB 4.44Å; K104-L107 HydrophobicContact CB-CD1 4.01Å; K104-L107 HydrophobicContact CB-CG 4.19Å; K104-L107 HydrophobicContact CD-CD1 3.82Å; K104-L107 PolarHBondContact O-N 3.09Å; K104-C145 PolarHBondContact N-O 3.45Å; K104-C145 VanDerWaalsContact N-O 3.1Å
105L98.6Very high97.6Very high14 Ų1449.6 Ų49.67%0.07325%0.25CS..G310 helixtrans-56-33.8178.2178.661.2000112.9L72 L107 R108 E144 C145 R151L72-L105 HydrophobicContact CD1-CB 3.93Å; L72-L105 HydrophobicContact CD1-CD1 3.73Å; L72-L105 HydrophobicContact CD1-CG 4.46Å; L105-L107 PolarHBondContact O-N 3.43Å; L105-R108 WeakPolarHBondContact O-CB 3.37Å; L105-R108 PolarHBondContact O-N 3.35Å; L105-R108 VanDerWaalsContact O-N 3.15Å; L105-E144 HydrophobicContact CD1-CB 4.4Å; L105-E144 HydrophobicContact CD2-CB 4.33Å; L105-C145 WeakPolarHBondContact CB-O 3.18Å; L105-C145 PolarHBondContact N-O 3.44Å; L105-C145 VanDerWaalsContact N-O 3.08Å; L105-R151 HydrophobicContact CD2-CG 4.22Å
106D97.8Very high97.7Very high49 Ų4948.8 Ų48.826%0.26224%0.236SC..G310 helixtrans-55.5-3217450.6-71.5000113.3K104 S146 T149K104-D106 PolarHBondContact O-N 3.36Å; D106-S146 VanDerWaalsContact CG-OG 3.24Å; D106-S146 WeakPolarHBondContact OD1-CB 3.5Å; D106-S146 PolarHBondContact OD1-OG 3.38Å; D106-T149 HydrophobicContact CB-CG2 4.06Å
107L98Very high97.8Very high42 Ų4248.3 Ų48.322%0.2223%0.232CC..G310 helixtrans-85-8.9-178.1-58.1-176000113.9V73 K104 L105 D109 D110 T113V73-L107 HydrophobicContact CB-CB 4.43Å; V73-L107 HydrophobicContact CG1-CB 3.68Å; V73-L107 WeakPolarHBondContact CG1-O 3.29Å; V73-L107 HydrophobicContact CG2-CB 3.97Å; V73-L107 HydrophobicContact CG2-CD1 3.84Å; K104-L107 HydrophobicContact CB-CB 4.44Å; K104-L107 HydrophobicContact CB-CD1 4.01Å; K104-L107 HydrophobicContact CB-CG 4.19Å; K104-L107 HydrophobicContact CD-CD1 3.82Å; K104-L107 PolarHBondContact O-N 3.09Å; L105-L107 PolarHBondContact O-N 3.43Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.95Å; L107-D110 HydrophobicContact CD2-CB 4.35Å; L107-D110 PolarHBondContact O-N 3.05Å; L107-T113 HydrophobicContact CB-CG2 4.24Å
108R97.9Very high97.7Very high38 Ų3854.7 Ų54.714%0.14325%0.253CS..SBendtrans-64-38.6-179177.4-179.3-72.6160.5-5.2111.8L72 L105 I114 P124 I125 E144L72-R108 VanDerWaalsContact CD1-NH2 3.28Å; L105-R108 WeakPolarHBondContact O-CB 3.37Å; L105-R108 PolarHBondContact O-N 3.35Å; L105-R108 VanDerWaalsContact O-N 3.15Å; R108-I114 WeakPolarHBondContact O-CD1 2.98Å; R108-P124 HydrophobicContact CG-CB 3.98Å; R108-I125 VanDerWaalsContact CZ-O 3.25Å; R108-I125 PolarHBondContact NE-O 2.93Å; R108-I125 PolarHBondContact NH2-O 3.09Å; R108-E144 IonicContact CZ-OE1 2.94Å; R108-E144 IonicContact CZ-OE2 2.77Å; R108-E144 VanDerWaalsContact NH1-CD 3.3Å; R108-E144 IonicContact NH1-OE1 2.87Å; R108-E144 PolarHBondContact NH1-OE1 3.4Å; R108-E144 IonicContact NH1-OE2 3.82Å; R108-E144 PolarHBondContact NH1-OE2 3.25Å; R108-E144 IonicContact NH2-OE1 3.43Å; R108-E144 PolarHBondContact NH2-OE1 3.49Å; R108-E144 IonicContact NH2-OE2 3.18Å; R108-E144 PolarHBondContact NH2-OE2 3.01Å
109D94.5Very high97.7Very high123 Ų12361.2 Ų61.266%0.65829%0.287SS*.SBendtrans-104.15-177-56.1-44.9000112.1L107L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 2.95Å
110D97.8Very high97.6Very high58 Ų5868 Ų6831%0.3132%0.317SS..  trans-73.7123.8178174.760.5000111L107 D112 T113 I114L107-D110 HydrophobicContact CD2-CB 4.35Å; L107-D110 PolarHBondContact O-N 3.05Å; D110-D112 PolarHBondContact O-N 2.87Å; D110-T113 PolarHBondContact O-N 2.6Å; D110-T113 WeakPolarHBondContact OD2-CB 3.47Å; D110-T113 PolarHBondContact OD2-N 3.42Å; D110-T113 PolarHBondContact OD2-OG1 2.94Å; D110-I114 VanDerWaalsContact O-CG1 3.24Å; D110-I114 WeakPolarHBondContact O-CG1 3.37Å; D110-I114 PolarHBondContact O-N 3.08Å
111K97.4Very high97.6Very high153 Ų15377.7 Ų77.767%0.66536%0.359SS*.Hα-helixtrans-61.4-48.9-172.1-68-177-179.11780111.8T113 I114 E115K111-T113 VanDerWaalsContact C-N 3.3Å; K111-T113 PolarHBondContact O-N 3.29Å; K111-I114 PolarHBondContact O-N 3.11Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 3.28Å
112D97.6Very high97.5Very high117 Ų11781.3 Ų81.363%0.62638%0.378SS*.Hα-helixtrans-63.3-40.2-178.1-63.3-4.5000110.7D110 E115 R116D110-D112 PolarHBondContact O-N 2.87Å; D112-E115 PolarHBondContact O-N 3.05Å; D112-R116 WeakPolarHBondContact O-CB 3.44Å; D112-R116 PolarHBondContact O-N 3.02Å
113T97Very high97.5Very high10 Ų1084.2 Ų84.26%0.06140%0.402CS..Hα-helixtrans-65.1-43.3175.3-63.20000112.2V73 L107 D110 K111 L117V73-T113 HydrophobicContact CB-CG2 3.73Å; V73-T113 HydrophobicContact CG1-CG2 3.62Å; V73-T113 HydrophobicContact CG2-CG2 4.2Å; L107-T113 HydrophobicContact CB-CG2 4.24Å; D110-T113 PolarHBondContact O-N 2.6Å; D110-T113 WeakPolarHBondContact OD2-CB 3.47Å; D110-T113 PolarHBondContact OD2-N 3.42Å; D110-T113 PolarHBondContact OD2-OG1 2.94Å; K111-T113 VanDerWaalsContact C-N 3.3Å; K111-T113 PolarHBondContact O-N 3.29Å; T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 WeakPolarHBondContact O-CB 3.42Å; T113-L117 WeakPolarHBondContact O-CG 3.4Å; T113-L117 PolarHBondContact O-N 2.76Å
114I97.3Very high97.4Very high50 Ų5085.1 Ų85.126%0.25641%0.408SS..Hα-helixtrans-62.3-45.4177.1-70.3164.5000110.6R108 D110 K111 L117 R118 P124R108-I114 WeakPolarHBondContact O-CD1 2.98Å; D110-I114 VanDerWaalsContact O-CG1 3.24Å; D110-I114 WeakPolarHBondContact O-CG1 3.37Å; D110-I114 PolarHBondContact O-N 3.08Å; K111-I114 PolarHBondContact O-N 3.11Å; I114-L117 PolarHBondContact O-N 2.92Å; I114-R118 WeakPolarHBondContact O-CB 3.3Å; I114-R118 PolarHBondContact O-N 3.04Å; I114-P124 HydrophobicContact CG1-CG 4.21Å
115E97.8Very high97.5Very high104 Ų10482.1 Ų82.149%0.48640%0.395SS..Hα-helixtrans-61.4-49.6178.7-74.1177.1-175.100111.2K111 D112 L117 R118 D119K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 3.28Å; D112-E115 PolarHBondContact O-N 3.05Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 3.07Å; E115-R118 WeakPolarHBondContact O-CA 3.48Å; E115-R118 WeakPolarHBondContact O-CB 3.2Å; E115-R118 PolarHBondContact O-N 2.58Å; E115-D119 PolarHBondContact O-N 2.98Å
116R96.9Very high97.5Very high138 Ų13884.5 Ų84.552%0.52141%0.411SS..Hα-helixtrans-60.2-34.6177.3-174.6-177.664.4150.1-3.7113.3D112D112-R116 WeakPolarHBondContact O-CB 3.44Å; D112-R116 PolarHBondContact O-N 3.02Å
117L97.1Very high97.5Very high11 Ų1187.5 Ų87.56%0.05842%0.419CS..Hα-helixtrans-70.7-41.5174.3-76.5172.5000111.1V73 T113 I114 E115 D119 K120 K121 L122 P124V73-L117 HydrophobicContact CB-CD1 4.07Å; V73-L117 HydrophobicContact CG1-CD1 4.39Å; T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 WeakPolarHBondContact O-CB 3.42Å; T113-L117 WeakPolarHBondContact O-CG 3.4Å; T113-L117 PolarHBondContact O-N 2.76Å; I114-L117 PolarHBondContact O-N 2.92Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 3.07Å; L117-D119 VanDerWaalsContact C-N 3.31Å; L117-D119 PolarHBondContact O-N 2.79Å; L117-K120 CarbonylContact O-C 3.45Å; L117-K120 WeakPolarHBondContact O-CA 3.44Å; L117-K120 PolarHBondContact O-N 3.15Å; L117-K121 PolarHBondContact O-N 3.08Å; L117-L122 CarbonylContact C-O 3.48Å; L117-L122 VanDerWaalsContact C-O 3.24Å; L117-L122 HydrophobicContact CB-CB 4.28Å; L117-L122 HydrophobicContact CD2-CB 3.94Å; L117-L122 HydrophobicContact CD2-CD1 4.3Å; L117-L122 PolarHBondContact O-N 2.84Å; L117-P124 HydrophobicContact CD1-CG 3.81Å
118R96.9Very high97.6Very high164 Ų16489.9 Ų89.962%0.61944%0.437SS*.Hα-helixtrans-60.1-40177.7-172.6-174.4-63.7159.62.1112I114 E115 K120 K121 L122I114-R118 WeakPolarHBondContact O-CB 3.3Å; I114-R118 PolarHBondContact O-N 3.04Å; E115-R118 WeakPolarHBondContact O-CA 3.48Å; E115-R118 WeakPolarHBondContact O-CB 3.2Å; E115-R118 PolarHBondContact O-N 2.58Å; R118-K120 PolarHBondContact O-N 3.24Å; R118-K120 VanDerWaalsContact O-N 3.15Å; R118-K121 WeakPolarHBondContact O-CA 3.44Å; R118-K121 PolarHBondContact O-N 3.1Å; R118-L122 PolarHBondContact N-O 3.08Å
119D97.3Very high97.6Very high137 Ų13792.4 Ų92.473%0.73345%0.451SS*.Hα-helixtrans-57.5-29.4175-68.8-16.7000112.5E115 L117E115-D119 PolarHBondContact O-N 2.98Å; L117-D119 VanDerWaalsContact C-N 3.31Å; L117-D119 PolarHBondContact O-N 2.79Å
120K96.9Very high97.8Very high145 Ų14586.6 Ų86.663%0.6342%0.419SS*.THydrogen-bonded Turntrans-94.38.2176.4-61.1-176.7-179.7-1750113.3L117 R118 L122L117-K120 CarbonylContact O-C 3.45Å; L117-K120 WeakPolarHBondContact O-CA 3.44Å; L117-K120 PolarHBondContact O-N 3.15Å; R118-K120 PolarHBondContact O-N 3.24Å; R118-K120 VanDerWaalsContact O-N 3.15Å; K120-L122 HydrophobicContact CB-CD1 4.14Å; K120-L122 HydrophobicContact CB-CG 4.2Å; K120-L122 PolarHBondContact O-N 2.87Å
121K97.6Very high97.8Very high202 Ų20286.4 Ų86.488%0.87842%0.418SS*.THydrogen-bonded Turntrans5733-173.4-53.8178.6-178.8178.10113.1L117 R118L117-K121 PolarHBondContact O-N 3.08Å; R118-K121 WeakPolarHBondContact O-CA 3.44Å; R118-K121 PolarHBondContact O-N 3.1Å
122L97.7Very high97.9Very high76 Ų7681.6 Ų81.640%0.39841%0.407SS..  trans-112.2163.3177-63.4176.6000110.1P75 L117 R118 K120P75-L122 HydrophobicContact CB-CD2 4.44Å; P75-L122 HydrophobicContact CG-CB 4.29Å; P75-L122 HydrophobicContact CG-CD1 4.41Å; P75-L122 HydrophobicContact CG-CD2 4.28Å; L117-L122 CarbonylContact C-O 3.48Å; L117-L122 VanDerWaalsContact C-O 3.24Å; L117-L122 HydrophobicContact CB-CB 4.28Å; L117-L122 HydrophobicContact CD2-CB 3.94Å; L117-L122 HydrophobicContact CD2-CD1 4.3Å; L117-L122 PolarHBondContact O-N 2.84Å; R118-L122 PolarHBondContact N-O 3.08Å; K120-L122 HydrophobicContact CB-CD1 4.14Å; K120-L122 HydrophobicContact CB-CG 4.2Å; K120-L122 PolarHBondContact O-N 2.87Å
123A97.9Very high97.9Very high62 Ų6276.2 Ų76.251%0.51238%0.378SS..  trans-135.9156.4172.300000109.9P75P75-A123 WeakPolarHBondContact CG-O 3.35Å
124P98.5Very high98Very high23 Ų2375.9 Ų75.915%0.14938%0.377CS..PPolyproline II helixtrans-56.4147168.6-23.633.8000111.8L72 V73 R108 I114 L117 T126L72-P124 CarbonylContact O-C 3.24Å; L72-P124 VanDerWaalsContact O-CA 3.26Å; L72-P124 WeakPolarHBondContact O-CA 3.16Å; V73-P124 HydrophobicContact CG1-CB 4.36Å; V73-P124 HydrophobicContact CG1-CG 4.48Å; R108-P124 HydrophobicContact CG-CB 3.98Å; I114-P124 HydrophobicContact CG1-CG 4.21Å; L117-P124 HydrophobicContact CD1-CG 3.81Å; P124-T126 PolarHBondContact O-N 2.89Å
125I98.7Very high98.1Very high8 Ų882.6 Ų82.64%0.04140%0.399CS..PPolyproline II helixtrans-69.7126.1173.8-55.2-56.3000109F70 L72 P75 F78 R108 Q129F70-I125 HydrophobicContact CE2-CB 4.01Å; F70-I125 HydrophobicContact CE2-CG1 4.08Å; F70-I125 HydrophobicContact CE2-CG2 3.82Å; F70-I125 HydrophobicContact CZ-CG2 4.2Å; L72-I125 HydrophobicContact CD2-CB 4.25Å; L72-I125 PolarHBondContact O-N 3.41Å; P75-I125 HydrophobicContact CB-CD1 4.2Å; P75-I125 HydrophobicContact CG-CD1 4.25Å; F78-I125 HydrophobicContact CB-CD1 4.07Å; F78-I125 HydrophobicContact CB-CG1 3.98Å; F78-I125 HydrophobicContact CD1-CD1 3.76Å; F78-I125 HydrophobicContact CD1-CG1 4.31Å; F78-I125 HydrophobicContact CD1-CG2 4.49Å; F78-I125 HydrophobicContact CD2-CG2 4.18Å; F78-I125 HydrophobicContact CE1-CD1 4.39Å; F78-I125 HydrophobicContact CE1-CG2 4.45Å; F78-I125 HydrophobicContact CE2-CG2 4.14Å; F78-I125 HydrophobicContact CG-CD1 3.99Å; F78-I125 HydrophobicContact CG-CG1 4.04Å; F78-I125 HydrophobicContact CG-CG2 4.33Å; F78-I125 HydrophobicContact CZ-CG2 4.26Å; R108-I125 VanDerWaalsContact CZ-O 3.25Å; R108-I125 PolarHBondContact NE-O 2.93Å; R108-I125 PolarHBondContact NH2-O 3.09Å; I125-Q129 HydrophobicContact CG2-CB 3.9Å
126T98.6Very high98.1Very high65 Ų6582.9 Ų82.940%0.39940%0.4SS..PPolyproline II helixtrans-82.3158.1177.665.10000111.5P124 Q129 G130P124-T126 PolarHBondContact O-N 2.89Å; T126-Q129 WeakPolarHBondContact O-CB 3.13Å; T126-Q129 PolarHBondContact O-N 3.47Å; T126-Q129 VanDerWaalsContact OG1-CG 3.32Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.38Å; T126-Q129 PolarHBondContact OG1-N 3.29Å; T126-Q129 PolarHBondContact OG1-OE1 3.26Å; T126-G130 PolarHBondContact O-N 3.3Å; T126-G130 VanDerWaalsContact O-N 3.11Å
127Y98.6Very high98.1Very high112 Ų11276.3 Ų76.344%0.43938%0.375SS..Hα-helixtrans-56.5-44.5176.5-174.1-84.6000113Q129 G130 L131 Y142 E144Y127-Q129 VanDerWaalsContact C-N 3.32Å; Y127-Q129 PolarHBondContact O-N 2.8Å; Y127-G130 PolarHBondContact O-N 3.33Å; Y127-L131 HydrophobicContact CE1-CB 4.44Å; Y127-L131 HydrophobicContact CE1-CD2 4.29Å; Y127-L131 WeakPolarHBondContact O-CB 3.28Å; Y127-L131 PolarHBondContact O-N 3.12Å; Y127-Y142 HydrophobicContact CD2-CD1 4.29Å; Y127-Y142 AromaticContact CD2-CE1 3.81Å; Y127-Y142 HydrophobicContact CD2-CE1 3.81Å; Y127-Y142 AromaticContact CE2-CD1 3.93Å; Y127-Y142 HydrophobicContact CE2-CD1 3.93Å; Y127-Y142 AromaticContact CE2-CE1 3.91Å; Y127-Y142 HydrophobicContact CE2-CE1 3.91Å; Y127-Y142 HydrophobicContact CG-CE1 4.23Å; Y127-E144 WeakPolarHBondContact CA-OE1 3.46Å; Y127-E144 HydrophobicContact CD2-CG 4.3Å; Y127-E144 WeakPolarHBondContact CD2-OE1 3.28Å
128P98.8Very high98.1Very high92 Ų9278.1 Ų78.160%0.59740%0.396SS*.Hα-helixtrans-61.1-36.1176.6-25.736.8000114.1L131 A132P128-L131 PolarHBondContact O-N 2.99Å; P128-A132 WeakPolarHBondContact O-CB 3.09Å; P128-A132 PolarHBondContact O-N 2.98Å
129Q98.8Very high98.1Very high91 Ų9171.1 Ų71.143%0.42537%0.373SS..Hα-helixtrans-64.7-47.2175.3-74.2167.6-52.700111.1F78 I125 T126 Y127 L131 A132 M133F78-Q129 HydrophobicContact CZ-CB 4.27Å; F78-Q129 WeakPolarHBondContact CZ-O 3.07Å; I125-Q129 HydrophobicContact CG2-CB 3.9Å; T126-Q129 WeakPolarHBondContact O-CB 3.13Å; T126-Q129 PolarHBondContact O-N 3.47Å; T126-Q129 VanDerWaalsContact OG1-CG 3.32Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.38Å; T126-Q129 PolarHBondContact OG1-N 3.29Å; T126-Q129 PolarHBondContact OG1-OE1 3.26Å; Y127-Q129 VanDerWaalsContact C-N 3.32Å; Y127-Q129 PolarHBondContact O-N 2.8Å; Q129-L131 VanDerWaalsContact C-N 3.32Å; Q129-L131 PolarHBondContact O-N 2.99Å; Q129-A132 WeakPolarHBondContact O-CB 3.38Å; Q129-A132 PolarHBondContact O-N 3.36Å; Q129-M133 PolarHBondContact O-N 3.02Å
130G98.7Very high98.1Very high0 Ų067.5 Ų67.50%036%0.355CS..Hα-helixtrans-60.8-40.8176.200000113T126 Y127 A132 M133 A134 Y142T126-G130 PolarHBondContact O-N 3.3Å; T126-G130 VanDerWaalsContact O-N 3.11Å; Y127-G130 PolarHBondContact O-N 3.33Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 2.87Å; G130-M133 PolarHBondContact O-N 3.41Å; G130-A134 WeakPolarHBondContact O-CB 3.23Å; G130-A134 PolarHBondContact O-N 3.45Å; G130-Y142 VanDerWaalsContact CA-CZ 3.48Å
131L98.6Very high98.2Very high54 Ų5464.5 Ų64.528%0.28334%0.342SS..Hα-helixtrans-64.8-36.6175.1-17364.3000112.4Y127 P128 Q129 A134 R135 Y142Y127-L131 HydrophobicContact CE1-CB 4.44Å; Y127-L131 HydrophobicContact CE1-CD2 4.29Å; Y127-L131 WeakPolarHBondContact O-CB 3.28Å; Y127-L131 PolarHBondContact O-N 3.12Å; P128-L131 PolarHBondContact O-N 2.99Å; Q129-L131 VanDerWaalsContact C-N 3.32Å; Q129-L131 PolarHBondContact O-N 2.99Å; L131-A134 PolarHBondContact O-N 3.22Å; L131-R135 WeakPolarHBondContact O-CG 3.29Å; L131-R135 PolarHBondContact O-N 2.7Å; L131-R135 VanDerWaalsContact O-N 3.15Å; L131-Y142 HydrophobicContact CB-CD1 4.15Å
132A98.8Very high98.2Very high52 Ų5255.3 Ų55.343%0.4330%0.302SS..Hα-helixtrans-64.9-46.8175.300000111.5P128 Q129 G130 A134 R135 E136P128-A132 WeakPolarHBondContact O-CB 3.09Å; P128-A132 PolarHBondContact O-N 2.98Å; Q129-A132 WeakPolarHBondContact O-CB 3.38Å; Q129-A132 PolarHBondContact O-N 3.36Å; G130-A132 VanDerWaalsContact C-N 3.34Å; G130-A132 PolarHBondContact O-N 2.87Å; A132-A134 VanDerWaalsContact C-N 3.31Å; A132-A134 PolarHBondContact O-N 2.77Å; A132-R135 WeakPolarHBondContact O-CB 3.4Å; A132-R135 PolarHBondContact O-N 3.03Å; A132-E136 PolarHBondContact O-N 3.25Å
133M98.8Very high98.3Very high4 Ų452.7 Ų52.72%0.0229%0.288CS..Hα-helixtrans-59.1-42.2174.1179.966.969.700111.8F78 V81 R82 L100 Q129 G130 R135 E136 I137F78-M133 HydrophobicContact CD1-CE 4.25Å; F78-M133 HydrophobicContact CD2-CE 4.38Å; F78-M133 HydrophobicContact CD2-CG 4.48Å; F78-M133 HydrophobicContact CE1-CE 3.85Å; F78-M133 HydrophobicContact CE2-CB 3.48Å; F78-M133 VanDerWaalsContact CE2-CB 3.48Å; F78-M133 HydrophobicContact CE2-CE 4Å; F78-M133 HydrophobicContact CE2-CG 3.75Å; F78-M133 HydrophobicContact CZ-CB 3.51Å; F78-M133 HydrophobicContact CZ-CE 3.74Å; F78-M133 HydrophobicContact CZ-CG 4.1Å; V81-M133 HydrophobicContact CB-CG 4.34Å; V81-M133 HydrophobicContact CB-SD 4.18Å; V81-M133 HydrophobicContact CG1-CG 3.87Å; V81-M133 HydrophobicContact CG1-SD 3.92Å; R82-M133 HydrophobicContact CB-CE 4.31Å; R82-M133 HydrophobicContact CB-SD 3.94Å; R82-M133 HydrophobicContact CG-CE 4.03Å; R82-M133 HydrophobicContact CG-SD 4.33Å; L100-M133 HydrophobicContact CD2-CB 3.91Å; L100-M133 HydrophobicContact CD2-CG 3.69Å; Q129-M133 PolarHBondContact O-N 3.02Å; G130-M133 PolarHBondContact O-N 3.41Å; M133-R135 VanDerWaalsContact C-N 3.27Å; M133-R135 PolarHBondContact O-N 3.27Å; M133-E136 WeakPolarHBondContact O-CB 3.45Å; M133-E136 PolarHBondContact O-N 2.98Å; M133-E136 VanDerWaalsContact O-N 3.13Å; M133-I137 WeakPolarHBondContact O-CG1 3.45Å; M133-I137 PolarHBondContact O-N 2.94Å; M133-I137 HydrophobicContact SD-CG2 4.07Å
134A98.6Very high98.3Very high4 Ų451.1 Ų51.13%0.03327%0.27CS..Hα-helixtrans-59.3-37.3177.300000113.1L100 G130 L131 A132 G138 S139 Y142L100-A134 HydrophobicContact CB-CB 4.34Å; L100-A134 HydrophobicContact CD2-CB 3.91Å; G130-A134 WeakPolarHBondContact O-CB 3.23Å; G130-A134 PolarHBondContact O-N 3.45Å; L131-A134 PolarHBondContact O-N 3.22Å; A132-A134 VanDerWaalsContact C-N 3.31Å; A132-A134 PolarHBondContact O-N 2.77Å; A134-G138 PolarHBondContact O-N 2.9Å; A134-S139 WeakPolarHBondContact CA-OG 3.38Å; A134-S139 WeakPolarHBondContact CB-OG 3.23Å; A134-S139 PolarHBondContact O-N 3.49Å; A134-S139 PolarHBondContact O-OG 2.76Å; A134-Y142 HydrophobicContact CB-CG 4.27Å
135R98.3Very high98.3Very high191 Ų19150 Ų5072%0.72126%0.263SS*.Hα-helixtrans-70.5-42.9173.1-68.1172.4-174.7175.92111.6L131 A132 M133 I137 G138L131-R135 WeakPolarHBondContact O-CG 3.29Å; L131-R135 PolarHBondContact O-N 2.7Å; L131-R135 VanDerWaalsContact O-N 3.15Å; A132-R135 WeakPolarHBondContact O-CB 3.4Å; A132-R135 PolarHBondContact O-N 3.03Å; M133-R135 VanDerWaalsContact C-N 3.27Å; M133-R135 PolarHBondContact O-N 3.27Å; R135-I137 VanDerWaalsContact C-N 3.33Å; R135-I137 PolarHBondContact O-N 2.94Å; R135-G138 PolarHBondContact O-N 3.38Å
136E98.1Very high98.3Very high109 Ų10949.7 Ų49.751%0.50926%0.261SS..Hα-helixtrans-56-46.2178.1-174.7-178.3145.400111.5R82 A132 M133 G138R82-E136 VanDerWaalsContact CD-OE1 3.24Å; R82-E136 WeakPolarHBondContact CD-OE1 3.48Å; R82-E136 IonicContact NH1-OE1 3.88Å; R82-E136 IonicContact NH1-OE2 3.08Å; A132-E136 PolarHBondContact O-N 3.25Å; M133-E136 WeakPolarHBondContact O-CB 3.45Å; M133-E136 PolarHBondContact O-N 2.98Å; M133-E136 VanDerWaalsContact O-N 3.13Å; E136-G138 VanDerWaalsContact C-N 3.33Å; E136-G138 PolarHBondContact O-N 3.17Å
137I97.9Very high98.2Very high1 Ų147.1 Ų47.11%0.00525%0.247CC..THydrogen-bonded Turntrans-87.41.2-178.573.8176.4000114.1V81 Y86 I98 L100 M133 R135 S139V81-I137 HydrophobicContact CG1-CD1 3.88Å; V81-I137 HydrophobicContact CG1-CG2 4.26Å; Y86-I137 HydrophobicContact CD1-CB 4.35Å; Y86-I137 HydrophobicContact CD1-CG2 4.16Å; Y86-I137 HydrophobicContact CD2-CB 3.58Å; Y86-I137 HydrophobicContact CD2-CG2 4.14Å; Y86-I137 HydrophobicContact CE2-CB 3.86Å; Y86-I137 WeakPolarHBondContact CE2-O 3.44Å; Y86-I137 HydrophobicContact CG-CB 3.81Å; Y86-I137 HydrophobicContact CG-CG2 3.83Å; I98-I137 HydrophobicContact CG2-CD1 4.45Å; L100-I137 HydrophobicContact CB-CD1 4.3Å; L100-I137 HydrophobicContact CD1-CD1 4.17Å; L100-I137 HydrophobicContact CD2-CD1 4.44Å; M133-I137 WeakPolarHBondContact O-CG1 3.45Å; M133-I137 PolarHBondContact O-N 2.94Å; M133-I137 HydrophobicContact SD-CG2 4.07Å; R135-I137 VanDerWaalsContact C-N 3.33Å; R135-I137 PolarHBondContact O-N 2.94Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 2.72Å
138G96.9Very high98.1Very high48 Ų4846.3 Ų46.350%0.49525%0.25SC..THydrogen-bonded Turntrans5935.3-176.700000113.8A134 R135 E136A134-G138 PolarHBondContact O-N 2.9Å; R135-G138 PolarHBondContact O-N 3.38Å; E136-G138 VanDerWaalsContact C-N 3.33Å; E136-G138 PolarHBondContact O-N 3.17Å
139S97.3Very high97.9Very high18 Ų1846 Ų4613%0.12625%0.246CC..  trans-67.7147.2172.764.90000110.5I98 A134 I137 K141I98-S139 CarbonylContact O-C 3.58Å; I98-S139 VanDerWaalsContact O-CA 3.24Å; I98-S139 WeakPolarHBondContact O-CA 3.46Å; I98-S139 VanDerWaalsContact O-CB 3.22Å; I98-S139 WeakPolarHBondContact O-CB 3.46Å; A134-S139 WeakPolarHBondContact CA-OG 3.38Å; A134-S139 WeakPolarHBondContact CB-OG 3.23Å; A134-S139 PolarHBondContact O-N 3.49Å; A134-S139 PolarHBondContact O-OG 2.76Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 2.72Å; S139-K141 VanDerWaalsContact C-N 3.26Å; S139-K141 PolarHBondContact O-N 2.95Å
140V96.8Very high97.8Very high61 Ų6145.5 Ų45.537%0.3724%0.244SC..SBendtrans-72.2-25.5179.9-58.70000111.8P97 I98 I99 A163 P168P97-V140 HydrophobicContact CB-CG1 3.95Å; P97-V140 HydrophobicContact CB-CG2 4.47Å; I98-V140 WeakPolarHBondContact O-CG2 3.45Å; I98-V140 PolarHBondContact O-N 3.46Å; I99-V140 HydrophobicContact CD1-CG2 4.46Å; I99-V140 HydrophobicContact CG1-CG2 3.72Å; V140-A163 HydrophobicContact CG2-CB 3.94Å; V140-P168 HydrophobicContact CG1-CG 4.22Å
141K97.6Very high97.8Very high82 Ų8253.1 Ų53.136%0.35727%0.273SS..EExtended strand (participates in β ladder)trans-155.5150.7178-145.1151.5-172168.10111.8I99 L100 S139 L143 E159I99-K141 HydrophobicContact CG2-CB 4.47Å; L100-K141 PolarHBondContact N-O 2.94Å; S139-K141 VanDerWaalsContact C-N 3.26Å; S139-K141 PolarHBondContact O-N 2.95Å; K141-L143 HydrophobicContact CD-CD2 4.36Å; K141-L143 HydrophobicContact CG-CD2 4.17Å; K141-L143 HydrophobicContact CG-CG 4.21Å; K141-E159 HydrophobicContact CD-CB 4.21Å; K141-E159 HydrophobicContact CD-CG 3.94Å; K141-E159 VanDerWaalsContact CD-OE2 3.25Å; K141-E159 WeakPolarHBondContact CD-OE2 3.24Å; K141-E159 WeakPolarHBondContact CE-OE2 3.47Å; K141-E159 IonicContact NZ-OE1 2.73Å; K141-E159 PolarHBondContact NZ-OE1 3Å; K141-E159 IonicContact NZ-OE2 2.69Å; K141-E159 PolarHBondContact NZ-OE2 2.86Å
142Y98.7Very high97.7Very high8 Ų851.7 Ų51.73%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-110127.2164.9178.6-129.4000109.5F70 L100 Y127 G130 L131 A134 E144F70-Y142 AromaticContact CE1-CE2 3.84Å; F70-Y142 HydrophobicContact CE1-CE2 3.84Å; F70-Y142 AromaticContact CZ-CE2 3.98Å; F70-Y142 HydrophobicContact CZ-CE2 3.98Å; L100-Y142 HydrophobicContact CB-CD2 4.09Å; L100-Y142 HydrophobicContact CD2-CD2 3.93Å; L100-Y142 HydrophobicContact CD2-CE2 4.31Å; L100-Y142 HydrophobicContact CG-CD2 3.92Å; L100-Y142 HydrophobicContact CG-CE2 4.29Å; L100-Y142 WeakPolarHBondContact O-CA 3.35Å; L100-Y142 WeakPolarHBondContact O-CD2 3.47Å; Y127-Y142 HydrophobicContact CD2-CD1 4.29Å; Y127-Y142 AromaticContact CD2-CE1 3.81Å; Y127-Y142 HydrophobicContact CD2-CE1 3.81Å; Y127-Y142 AromaticContact CE2-CD1 3.93Å; Y127-Y142 HydrophobicContact CE2-CD1 3.93Å; Y127-Y142 AromaticContact CE2-CE1 3.91Å; Y127-Y142 HydrophobicContact CE2-CE1 3.91Å; Y127-Y142 HydrophobicContact CG-CE1 4.23Å; G130-Y142 VanDerWaalsContact CA-CZ 3.48Å; L131-Y142 HydrophobicContact CB-CD1 4.15Å; A134-Y142 HydrophobicContact CB-CG 4.27Å; Y142-E144 HydrophobicContact CE1-CG 3.97Å; Y142-E144 HydrophobicContact CE2-CG 4.24Å; Y142-E144 WeakPolarHBondContact OH-CG 3.43Å; Y142-E144 PolarHBondContact OH-OE1 2.72Å
143L98.8Very high97.7Very high22 Ų2249.5 Ų49.512%0.11525%0.252CS..EExtended strand (participates in β ladder)trans-133.7152179.1-61.3170.3000110I99 L100 V101 G102 K141 T155 V156 E159I99-L143 HydrophobicContact CG2-CD1 4.06Å; I99-L143 HydrophobicContact CG2-CG 4.44Å; L100-L143 PolarHBondContact O-N 3.09Å; V101-L143 CarbonylContact C-O 3.52Å; V101-L143 WeakPolarHBondContact CA-O 3.34Å; G102-L143 PolarHBondContact N-O 2.93Å; K141-L143 HydrophobicContact CD-CD2 4.36Å; K141-L143 HydrophobicContact CG-CD2 4.17Å; K141-L143 HydrophobicContact CG-CG 4.21Å; L143-T155 HydrophobicContact CD2-CG2 4.22Å; L143-V156 HydrophobicContact CB-CG2 3.99Å; L143-V156 HydrophobicContact CD1-CB 4.5Å; L143-V156 HydrophobicContact CD1-CG2 4.27Å; L143-E159 HydrophobicContact CD1-CB 3.65Å; L143-E159 HydrophobicContact CD1-CG 3.79Å
144E98.8Very high97.5Very high29 Ų2955 Ų5514%0.13628%0.275CS..EExtended strand (participates in β ladder)trans-124.7141.6175.4-65176.3170.300109.5L72 G102 L105 R108 Y127 Y142L72-E144 HydrophobicContact CD1-CB 4.32Å; L72-E144 HydrophobicContact CD1-CG 4.25Å; L72-E144 HydrophobicContact CD2-CG 4.46Å; G102-E144 CarbonylContact O-C 3.39Å; G102-E144 VanDerWaalsContact O-CA 3.24Å; G102-E144 WeakPolarHBondContact O-CA 2.93Å; L105-E144 HydrophobicContact CD1-CB 4.4Å; L105-E144 HydrophobicContact CD2-CB 4.33Å; R108-E144 IonicContact CZ-OE1 2.94Å; R108-E144 IonicContact CZ-OE2 2.77Å; R108-E144 VanDerWaalsContact NH1-CD 3.3Å; R108-E144 IonicContact NH1-OE1 2.87Å; R108-E144 PolarHBondContact NH1-OE1 3.4Å; R108-E144 IonicContact NH1-OE2 3.82Å; R108-E144 PolarHBondContact NH1-OE2 3.25Å; R108-E144 IonicContact NH2-OE1 3.43Å; R108-E144 PolarHBondContact NH2-OE1 3.49Å; R108-E144 IonicContact NH2-OE2 3.18Å; R108-E144 PolarHBondContact NH2-OE2 3.01Å; Y127-E144 WeakPolarHBondContact CA-OE1 3.46Å; Y127-E144 HydrophobicContact CD2-CG 4.3Å; Y127-E144 WeakPolarHBondContact CD2-OE1 3.28Å; Y142-E144 HydrophobicContact CE1-CG 3.97Å; Y142-E144 HydrophobicContact CE2-CG 4.24Å; Y142-E144 WeakPolarHBondContact OH-CG 3.43Å; Y142-E144 PolarHBondContact OH-OE1 2.72Å
145C98.6Very high97.4Very high0 Ų057.8 Ų57.80%029%0.293CS..EExtended strand (participates in β ladder)trans-150.1160.9-179.665.20000113.2L7 G102 T103 K104 L105 R151 V156L7-C145 WeakPolarHBondContact CD1-SG 3.07Å; G102-C145 PolarHBondContact O-N 3.3Å; T103-C145 CarbonylContact C-O 3.47Å; T103-C145 WeakPolarHBondContact CA-O 3.45Å; K104-C145 PolarHBondContact N-O 3.45Å; K104-C145 VanDerWaalsContact N-O 3.1Å; L105-C145 WeakPolarHBondContact CB-O 3.18Å; L105-C145 PolarHBondContact N-O 3.44Å; L105-C145 VanDerWaalsContact N-O 3.08Å; C145-R151 CarbonylContact C-O 3.56Å; C145-R151 WeakPolarHBondContact CA-O 3.47Å; C145-R151 WeakPolarHBondContact CB-O 3.44Å; C145-V156 HydrophobicContact CB-CG2 4.04Å
146S98.3Very high97.4Very high0 Ų048.7 Ų48.70%026%0.258CS..  trans-119.3119.1166.31710000107.9D106 L148 T149 Q150 R151D106-S146 VanDerWaalsContact CG-OG 3.24Å; D106-S146 WeakPolarHBondContact OD1-CB 3.5Å; D106-S146 PolarHBondContact OD1-OG 3.38Å; S146-L148 PolarHBondContact OG-N 3.41Å; S146-T149 WeakPolarHBondContact CB-OG1 3.18Å; S146-T149 PolarHBondContact OG-N 3.05Å; S146-T149 PolarHBondContact OG-OG1 3.02Å; S146-Q150 CarbonylContact O-C 3.55Å; S146-Q150 WeakPolarHBondContact O-CA 3.12Å; S146-Q150 PolarHBondContact O-N 3Å; S146-R151 PolarHBondContact N-O 2.89Å; S146-R151 PolarHBondContact O-N 3.25Å
147A96.9Very high97.4Very high11 Ų1143.6 Ų43.69%0.09123%0.234CC..THydrogen-bonded Turntrans-69.4-28.2170.700000111.3C6 S10 F16C6-A147 HydrophobicContact CB-CB 4.13Å; S10-A147 PolarHBondContact OG-O 3Å; F16-A147 HydrophobicContact CD2-CB 4.17Å; F16-A147 HydrophobicContact CE2-CB 3.95Å
148L95.3Very high97.3Very high96 Ų9644.5 Ų44.550%0.50324%0.239SC..THydrogen-bonded Turntrans-69.5-49.6-180178.462000111.9F16 S146F16-L148 HydrophobicContact CB-CD1 4.37Å; F16-L148 HydrophobicContact CD1-CD1 3.96Å; F16-L148 VanDerWaalsContact CD2-CA 3.5Å; F16-L148 HydrophobicContact CD2-CB 4.11Å; F16-L148 HydrophobicContact CD2-CD1 4.24Å; F16-L148 HydrophobicContact CE1-CD1 4.29Å; F16-L148 HydrophobicContact CE2-CB 4.01Å; F16-L148 HydrophobicContact CG-CD1 3.92Å; F16-L148 HydrophobicContact CZ-CB 4.49Å; S146-L148 PolarHBondContact OG-N 3.41Å
149T96.2Very high97.3Very high84 Ų8443.9 Ų43.952%0.51522%0.223SC..THydrogen-bonded Turntrans-93.6-2.4-178.865.20000112.9D106 S146 R151D106-T149 HydrophobicContact CB-CG2 4.06Å; S146-T149 WeakPolarHBondContact CB-OG1 3.18Å; S146-T149 PolarHBondContact OG-N 3.05Å; S146-T149 PolarHBondContact OG-OG1 3.02Å; T149-R151 PolarHBondContact O-N 3.23Å
150Q96.3Very high97.3Very high82 Ų8243.2 Ų43.238%0.38322%0.219SC..  trans58.44.8-172.3-57.5179-700115.4N14 S146 G152 L153N14-Q150 PolarHBondContact O-NE2 2.67Å; S146-Q150 CarbonylContact O-C 3.55Å; S146-Q150 WeakPolarHBondContact O-CA 3.12Å; S146-Q150 PolarHBondContact O-N 3Å; Q150-G152 PolarHBondContact O-N 2.55Å; Q150-L153 HydrophobicContact CB-CB 4.45Å; Q150-L153 HydrophobicContact CB-CD2 4.31Å; Q150-L153 HydrophobicContact CG-CD2 4.14Å; Q150-L153 VanDerWaalsContact O-CB 3.28Å; Q150-L153 WeakPolarHBondContact O-CB 3.46Å; Q150-L153 PolarHBondContact O-N 3.01Å; Q150-L153 VanDerWaalsContact O-N 3.09Å
151R98.1Very high97.2Very high160 Ų16040.6 Ų40.660%0.60420%0.203SC*.THydrogen-bonded Turntrans-58.8123.3176.6-174.9178178.8-169.20.7110L105 C145 S146 T149 L153L105-R151 HydrophobicContact CD2-CG 4.22Å; C145-R151 CarbonylContact C-O 3.56Å; C145-R151 WeakPolarHBondContact CA-O 3.47Å; C145-R151 WeakPolarHBondContact CB-O 3.44Å; S146-R151 PolarHBondContact N-O 2.89Å; S146-R151 PolarHBondContact O-N 3.25Å; T149-R151 PolarHBondContact O-N 3.23Å; R151-L153 PolarHBondContact O-N 2.93Å
152G97.8Very high97.1Very high24 Ų2439.6 Ų39.625%0.24720%0.197CC..THydrogen-bonded Turntrans72.6-2.5179.200000115.1Q150 T155 V156Q150-G152 PolarHBondContact O-N 2.55Å; G152-T155 WeakPolarHBondContact O-CB 3.21Å; G152-T155 PolarHBondContact O-N 3.36Å; G152-V156 PolarHBondContact O-N 3.37Å
153L96.8Very high96.9Very high6 Ų639.8 Ų39.83%0.03120%0.2CC..Hα-helixtrans-62.2-55.6-173.6-17665.3000111.8L7 S10 Q150 R151 T155 V156 F157L7-L153 HydrophobicContact CD1-CD1 3.29Å; L7-L153 HydrophobicContact CG-CD1 3.93Å; S10-L153 VanDerWaalsContact OG-CD2 3.23Å; S10-L153 WeakPolarHBondContact OG-CD2 3.36Å; Q150-L153 HydrophobicContact CB-CB 4.45Å; Q150-L153 HydrophobicContact CB-CD2 4.31Å; Q150-L153 HydrophobicContact CG-CD2 4.14Å; Q150-L153 VanDerWaalsContact O-CB 3.28Å; Q150-L153 WeakPolarHBondContact O-CB 3.46Å; Q150-L153 PolarHBondContact O-N 3.01Å; Q150-L153 VanDerWaalsContact O-N 3.09Å; R151-L153 PolarHBondContact O-N 2.93Å; L153-T155 PolarHBondContact O-N 2.94Å; L153-V156 WeakPolarHBondContact O-CB 3.43Å; L153-V156 PolarHBondContact O-N 3.03Å; L153-V156 VanDerWaalsContact O-N 3.11Å; L153-F157 HydrophobicContact CD1-CE2 3.85Å; L153-F157 HydrophobicContact CG-CE2 4.34Å; L153-F157 VanDerWaalsContact O-CD2 3.29Å; L153-F157 WeakPolarHBondContact O-CD2 3.04Å
154K95.4Very high96.6Very high118 Ų11841.3 Ų41.351%0.51321%0.21SC..Hα-helixtrans-56.3-40.1177.6-170.8-172.2-173.9-54.20111.9V156 F157 D158K154-V156 VanDerWaalsContact C-N 3.29Å; K154-V156 PolarHBondContact O-N 3.4Å; K154-F157 PolarHBondContact O-N 3.21Å; K154-D158 IonicContact NZ-OD1 2.68Å; K154-D158 PolarHBondContact NZ-OD1 3.32Å; K154-D158 IonicContact NZ-OD2 3.39Å; K154-D158 PolarHBondContact NZ-OD2 3.26Å; K154-D158 WeakPolarHBondContact O-CB 3.35Å; K154-D158 PolarHBondContact O-N 2.65Å
155T97.4Very high96.2Very high64 Ų6443.2 Ų43.239%0.39322%0.221SC..Hα-helixtrans-60.6-37.5179.9-50.70000112.1L143 G152 L153 F157 E159L143-T155 HydrophobicContact CD2-CG2 4.22Å; G152-T155 WeakPolarHBondContact O-CB 3.21Å; G152-T155 PolarHBondContact O-N 3.36Å; L153-T155 PolarHBondContact O-N 2.94Å; T155-F157 PolarHBondContact O-N 2.94Å; T155-E159 HydrophobicContact CG2-CG 4.1Å; T155-E159 VanDerWaalsContact O-CB 3.31Å; T155-E159 WeakPolarHBondContact O-CB 3.39Å; T155-E159 WeakPolarHBondContact O-CG 3.48Å; T155-E159 PolarHBondContact O-N 2.91Å
156V98.1Very high95.6Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-57-49.6176.1171.40000111.4L67 V101 L143 C145 G152 L153 K154 A160L67-V156 HydrophobicContact CD1-CG1 3.91Å; L67-V156 HydrophobicContact CD2-CG1 4.31Å; V101-V156 HydrophobicContact CG1-CG1 4.31Å; V101-V156 HydrophobicContact CG1-CG2 3.98Å; V101-V156 HydrophobicContact CG2-CG1 3.85Å; L143-V156 HydrophobicContact CB-CG2 3.99Å; L143-V156 HydrophobicContact CD1-CB 4.5Å; L143-V156 HydrophobicContact CD1-CG2 4.27Å; C145-V156 HydrophobicContact CB-CG2 4.04Å; G152-V156 PolarHBondContact O-N 3.37Å; L153-V156 WeakPolarHBondContact O-CB 3.43Å; L153-V156 PolarHBondContact O-N 3.03Å; L153-V156 VanDerWaalsContact O-N 3.11Å; K154-V156 VanDerWaalsContact C-N 3.29Å; K154-V156 PolarHBondContact O-N 3.4Å; V156-A160 WeakPolarHBondContact O-CB 3.49Å; V156-A160 PolarHBondContact O-N 2.97Å
157F96.9Very high94.4Very high2 Ų251.4 Ų51.41%0.00928%0.275CS..Hα-helixtrans-76.3-38.1-176.8-63.6-85.5000112.7L7 L8 Y11 L41 L43 L67 L153 K154 T155 E159 A160 I161L7-F157 HydrophobicContact CD2-CZ 4.19Å; L7-F157 HydrophobicContact CG-CE2 4.14Å; L7-F157 HydrophobicContact CG-CZ 3.98Å; L8-F157 HydrophobicContact CD2-CE1 3.84Å; L8-F157 HydrophobicContact CD2-CZ 3.96Å; Y11-F157 AromaticContact CD1-CD1 3.88Å; Y11-F157 HydrophobicContact CD1-CD1 3.88Å; Y11-F157 AromaticContact CD1-CD2 3.88Å; Y11-F157 HydrophobicContact CD1-CD2 3.88Å; Y11-F157 AromaticContact CD1-CE1 3.95Å; Y11-F157 HydrophobicContact CD1-CE1 3.95Å; Y11-F157 AromaticContact CD1-CE2 3.98Å; Y11-F157 HydrophobicContact CD1-CE2 3.98Å; Y11-F157 AromaticContact CD1-CG 3.83Å; Y11-F157 HydrophobicContact CD1-CG 3.83Å; Y11-F157 HydrophobicContact CD1-CZ 4Å; Y11-F157 HydrophobicContact CD2-CB 4.17Å; Y11-F157 AromaticContact CD2-CD2 3.2Å; Y11-F157 HydrophobicContact CD2-CD2 3.2Å; Y11-F157 AromaticContact CD2-CE2 3.65Å; Y11-F157 HydrophobicContact CD2-CE2 3.65Å; Y11-F157 AromaticContact CD2-CG 3.74Å; Y11-F157 HydrophobicContact CD2-CG 3.74Å; Y11-F157 HydrophobicContact CD2-CZ 4.48Å; Y11-F157 HydrophobicContact CE1-CB 3.99Å; Y11-F157 AromaticContact CE1-CD1 3.88Å; Y11-F157 HydrophobicContact CE1-CD1 3.88Å; Y11-F157 HydrophobicContact CE1-CD2 4.18Å; Y11-F157 HydrophobicContact CE1-CE1 4.4Å; Y11-F157 AromaticContact CE1-CG 3.74Å; Y11-F157 HydrophobicContact CE1-CG 3.74Å; Y11-F157 HydrophobicContact CE2-CB 3.55Å; Y11-F157 AromaticContact CE2-CD2 3.54Å; Y11-F157 HydrophobicContact CE2-CD2 3.54Å; Y11-F157 HydrophobicContact CE2-CE2 4.4Å; Y11-F157 AromaticContact CE2-CG 3.63Å; Y11-F157 HydrophobicContact CE2-CG 3.63Å; Y11-F157 HydrophobicContact CG-CD1 4.21Å; Y11-F157 AromaticContact CG-CD2 3.36Å; Y11-F157 HydrophobicContact CG-CD2 3.36Å; Y11-F157 HydrophobicContact CG-CE1 4.21Å; Y11-F157 AromaticContact CG-CE2 3.38Å; Y11-F157 HydrophobicContact CG-CE2 3.38Å; Y11-F157 AromaticContact CG-CG 3.8Å; Y11-F157 HydrophobicContact CG-CG 3.8Å; Y11-F157 AromaticContact CG-CZ 3.81Å; Y11-F157 HydrophobicContact CG-CZ 3.81Å; Y11-F157 VanDerWaalsContact CZ-CB 3.43Å; Y11-F157 AromaticContact CZ-CD2 3.99Å; Y11-F157 AromaticContact CZ-CG 3.61Å; Y11-F157 WeakPolarHBondContact OH-CB 3.44Å; L41-F157 HydrophobicContact CD2-CD1 4.04Å; L43-F157 HydrophobicContact CD1-CE1 4.3Å; L43-F157 HydrophobicContact CD2-CD1 4.01Å; L43-F157 HydrophobicContact CD2-CE1 3.71Å; L67-F157 HydrophobicContact CD1-CE1 4.33Å; L153-F157 HydrophobicContact CD1-CE2 3.85Å; L153-F157 HydrophobicContact CG-CE2 4.34Å; L153-F157 VanDerWaalsContact O-CD2 3.29Å; L153-F157 WeakPolarHBondContact O-CD2 3.04Å; K154-F157 PolarHBondContact O-N 3.21Å; T155-F157 PolarHBondContact O-N 2.94Å; F157-E159 VanDerWaalsContact C-N 3.29Å; F157-E159 PolarHBondContact O-N 2.84Å; F157-A160 WeakPolarHBondContact O-CB 3.37Å; F157-A160 PolarHBondContact O-N 3.41Å; F157-I161 WeakPolarHBondContact O-CG1 3.42Å; F157-I161 PolarHBondContact O-N 3.17Å
158D96Very high92.9Very high19 Ų1954.4 Ų54.410%0.10229%0.293CS..Hα-helixtrans-57.9-44.4173.7-761.5000111K154 I161 R162K154-D158 IonicContact NZ-OD1 2.68Å; K154-D158 PolarHBondContact NZ-OD1 3.32Å; K154-D158 IonicContact NZ-OD2 3.39Å; K154-D158 PolarHBondContact NZ-OD2 3.26Å; K154-D158 WeakPolarHBondContact O-CB 3.35Å; K154-D158 PolarHBondContact O-N 2.65Å; D158-I161 PolarHBondContact O-N 2.89Å; D158-R162 WeakPolarHBondContact O-CG 3.35Å; D158-R162 PolarHBondContact O-N 2.98Å; D158-R162 IonicContact OD2-NH2 3.89Å
159E97.1Very high91.3Very high35 Ų3555.6 Ų55.616%0.16431%0.307CS..Hα-helixtrans-70.9-33.2178.9-67.8-68.3170.200112.7I99 K141 L143 T155 F157 R162 A163I99-E159 HydrophobicContact CD1-CB 4.09Å; K141-E159 HydrophobicContact CD-CB 4.21Å; K141-E159 HydrophobicContact CD-CG 3.94Å; K141-E159 VanDerWaalsContact CD-OE2 3.25Å; K141-E159 WeakPolarHBondContact CD-OE2 3.24Å; K141-E159 WeakPolarHBondContact CE-OE2 3.47Å; K141-E159 IonicContact NZ-OE1 2.73Å; K141-E159 PolarHBondContact NZ-OE1 3Å; K141-E159 IonicContact NZ-OE2 2.69Å; K141-E159 PolarHBondContact NZ-OE2 2.86Å; L143-E159 HydrophobicContact CD1-CB 3.65Å; L143-E159 HydrophobicContact CD1-CG 3.79Å; T155-E159 HydrophobicContact CG2-CG 4.1Å; T155-E159 VanDerWaalsContact O-CB 3.31Å; T155-E159 WeakPolarHBondContact O-CB 3.39Å; T155-E159 WeakPolarHBondContact O-CG 3.48Å; T155-E159 PolarHBondContact O-N 2.91Å; F157-E159 VanDerWaalsContact C-N 3.29Å; F157-E159 PolarHBondContact O-N 2.84Å; E159-R162 PolarHBondContact O-N 3.01Å; E159-R162 IonicContact OE1-NH1 3.25Å; E159-R162 PolarHBondContact OE1-NH1 3.15Å; E159-R162 IonicContact OE2-NH1 3.4Å; E159-A163 WeakPolarHBondContact O-CB 3.46Å; E159-A163 PolarHBondContact O-N 3.03Å
160A96.7Very high89.6Confident4 Ų458 Ų583%0.03332%0.321CS..Hα-helixtrans-61.5-45.817200000111.2V65 L67 I99 V156 F157 A163V65-A160 HydrophobicContact CG1-CB 4.09Å; V65-A160 HydrophobicContact CG2-CB 4.33Å; L67-A160 HydrophobicContact CD2-CB 4.06Å; I99-A160 HydrophobicContact CD1-CB 3.9Å; I99-A160 VanDerWaalsContact CD1-N 3.31Å; V156-A160 WeakPolarHBondContact O-CB 3.49Å; V156-A160 PolarHBondContact O-N 2.97Å; F157-A160 WeakPolarHBondContact O-CB 3.37Å; F157-A160 PolarHBondContact O-N 3.41Å; A160-A163 WeakPolarHBondContact O-CB 3.16Å; A160-A163 PolarHBondContact O-N 2.99Å
161I96Very high87.7Confident7 Ų763.7 Ų63.74%0.03635%0.345CS..Hα-helixtrans-64.5-45.3176.4-68.7164.4000110.6V32 V34 V39 L41 F157 D158 A163 V164 L165V32-I161 HydrophobicContact CG2-CD1 3.5Å; V34-I161 HydrophobicContact CB-CB 4.47Å; V34-I161 HydrophobicContact CB-CG2 3.8Å; V34-I161 HydrophobicContact CG1-CB 4.39Å; V34-I161 HydrophobicContact CG1-CG2 3.96Å; V34-I161 HydrophobicContact CG2-CB 4.13Å; V34-I161 HydrophobicContact CG2-CD1 3.56Å; V34-I161 HydrophobicContact CG2-CG1 4.45Å; V34-I161 HydrophobicContact CG2-CG2 3.88Å; V39-I161 HydrophobicContact CB-CG2 4.45Å; V39-I161 HydrophobicContact CG1-CD1 4.45Å; V39-I161 HydrophobicContact CG1-CG1 4.43Å; V39-I161 HydrophobicContact CG1-CG2 4.3Å; V39-I161 HydrophobicContact CG2-CG2 3.87Å; L41-I161 HydrophobicContact CD1-CD1 4.43Å; L41-I161 HydrophobicContact CD1-CG1 4.1Å; L41-I161 HydrophobicContact CD2-CD1 4.21Å; F157-I161 WeakPolarHBondContact O-CG1 3.42Å; F157-I161 PolarHBondContact O-N 3.17Å; D158-I161 PolarHBondContact O-N 2.89Å; I161-A163 VanDerWaalsContact C-N 3.29Å; I161-A163 PolarHBondContact O-N 3.49Å; I161-V164 PolarHBondContact O-N 2.89Å; I161-V164 VanDerWaalsContact O-N 3.11Å; I161-L165 HydrophobicContact CG2-CD1 3.59Å; I161-L165 HydrophobicContact CG2-CG 4.02Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.33Å
162R95.3Very high85.2Confident61 Ų6165 Ų6523%0.2336%0.355CS..Hα-helixtrans-61.8-35.8177.2-73.8-171.9-151.1102.27.7112.9V34 D35 D158 E159 V164 L165 C166V34-R162 HydrophobicContact CG1-CG 3.92Å; D35-R162 IonicContact OD1-CZ 3.13Å; D35-R162 IonicContact OD1-NE 2.81Å; D35-R162 PolarHBondContact OD1-NE 3.24Å; D35-R162 IonicContact OD1-NH2 3.2Å; D35-R162 VanDerWaalsContact OD2-CD 3.24Å; D35-R162 WeakPolarHBondContact OD2-CD 3.3Å; D35-R162 WeakPolarHBondContact OD2-CG 3.4Å; D35-R162 IonicContact OD2-NE 3.66Å; D35-R162 PolarHBondContact OD2-NE 3.32Å; D35-R162 VanDerWaalsContact OD2-NE 3.13Å; D158-R162 WeakPolarHBondContact O-CG 3.35Å; D158-R162 PolarHBondContact O-N 2.98Å; D158-R162 IonicContact OD2-NH2 3.89Å; E159-R162 PolarHBondContact O-N 3.01Å; E159-R162 IonicContact OE1-NH1 3.25Å; E159-R162 PolarHBondContact OE1-NH1 3.15Å; E159-R162 IonicContact OE2-NH1 3.4Å; R162-V164 PolarHBondContact O-N 3.18Å; R162-L165 PolarHBondContact O-N 3.02Å; R162-C166 CarbonylContact O-C 3.49Å; R162-C166 WeakPolarHBondContact O-CA 3.31Å; R162-C166 PolarHBondContact O-N 2.91Å
163A94.3Very high83.2Confident11 Ų1169.8 Ų69.89%0.09138%0.381CS..Hα-helixtrans-60.2-26.617700000112.8P97 V140 E159 A160 I161P97-A163 HydrophobicContact CB-CB 4.37Å; V140-A163 HydrophobicContact CG2-CB 3.94Å; E159-A163 WeakPolarHBondContact O-CB 3.46Å; E159-A163 PolarHBondContact O-N 3.03Å; A160-A163 WeakPolarHBondContact O-CB 3.16Å; A160-A163 PolarHBondContact O-N 2.99Å; I161-A163 VanDerWaalsContact C-N 3.29Å; I161-A163 PolarHBondContact O-N 3.49Å
164V93.1Very high81Confident55 Ų5572.8 Ų72.833%0.33341%0.414SS..Hα-helixtrans-90.3-46.7176.9-177.90000111.3D64 V65 I161 R162 C166D64-V164 HydrophobicContact CB-CG1 3.98Å; D64-V164 HydrophobicContact CB-CG2 3.75Å; V65-V164 HydrophobicContact CB-CG2 3.83Å; V65-V164 HydrophobicContact CG1-CG2 3.97Å; I161-V164 PolarHBondContact O-N 2.89Å; I161-V164 VanDerWaalsContact O-N 3.11Å; R162-V164 PolarHBondContact O-N 3.18Å; V164-C166 PolarHBondContact O-N 2.92Å
165L90.2Very high78.9Confident68 Ų6877 Ų7736%0.35643%0.433SS..Hα-helixtrans-71.7-29.6-176.4-65.7-177.5000113.7K37 V39 I161 R162K37-L165 HydrophobicContact CD-CD1 4.23Å; V39-L165 HydrophobicContact CG2-CD1 3.98Å; I161-L165 HydrophobicContact CG2-CD1 3.59Å; I161-L165 HydrophobicContact CG2-CG 4.02Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.33Å; R162-L165 PolarHBondContact O-N 3.02Å
166C84.6Confident76.6Confident79 Ų7983.3 Ų83.353%0.53445%0.454SS..SBendtrans-133.268.2-175.8-65.30000109.3R162 V164R162-C166 CarbonylContact O-C 3.49Å; R162-C166 WeakPolarHBondContact O-CA 3.31Å; R162-C166 PolarHBondContact O-N 2.91Å; V164-C166 PolarHBondContact O-N 2.92Å
167P73.6Confident74.4Confident93 Ų9389 Ų8960%0.60449%0.493SS*.PPolyproline II helixtrans-61.8137.9-173.223.8-32000110.8
168P65.3Low72.7Confident74 Ų7493.9 Ų93.948%0.48152%0.523SS..PPolyproline II helixtrans-60.7147176.423-30.5000110.4V140 V170V140-P168 HydrophobicContact CG1-CG 4.22Å; P168-V170 PolarHBondContact O-N 3.28Å
169P62.1Low70.7Confident122 Ų12299.4 Ų99.479%0.79256%0.557SS**PPolyproline II helixtrans-57.7125.9-179.620.5-30.2000110.5K171P169-K171 PolarHBondContact O-N 3.39Å; P169-K171 VanDerWaalsContact O-N 3.13Å
170V60.9Low68.7Low133 Ų133109.8 Ų109.881%0.80660%0.602SS**PPolyproline II helixtrans-61116.6179.7-175.90000108.8P168 K172P168-V170 PolarHBondContact O-N 3.28Å; V170-K172 PolarHBondContact O-N 2.88Å
171K56Low67.3Low202 Ų202115.1 Ų115.188%0.87863%0.631SS**  trans-65.1101.2170.5-73.3-174.7180179.40108.1P169P169-K171 PolarHBondContact O-N 3.39Å; P169-K171 VanDerWaalsContact O-N 3.13Å
172K46.2Very low65.8Low187 Ų187120.8 Ų120.881%0.81366%0.662SS**PPolyproline II helixtrans-58.8133.8171.4-69.8-176179.8178.90108.5V170 G174V170-K172 PolarHBondContact O-N 2.88Å; K172-G174 PolarHBondContact O-N 3.32Å; K172-G174 VanDerWaalsContact O-N 3.11Å
173P54.5Low64.2Low125 Ų125124.1 Ų124.181%0.81269%0.686SS**PPolyproline II helixtrans-58.4121.8172.723.9-31.3000107.8K175P173-K175 PolarHBondContact O-N 3.48Å
174G50.8Low62.4Low70 Ų70130.8 Ų130.872%0.72272%0.721SS**PPolyproline II helixtrans-55.4127.817900000109.2K172 K176K172-G174 PolarHBondContact O-N 3.32Å; K172-G174 VanDerWaalsContact O-N 3.11Å; G174-K176 PolarHBondContact O-N 2.63Å
175K51.5Low60.5Low206 Ų206135.5 Ų135.590%0.89675%0.745SS**PPolyproline II helixtrans-54.2118.6170.4-72.9-176.2176.1-177.10107P173 C177P173-K175 PolarHBondContact O-N 3.48Å; K175-C177 PolarHBondContact O-N 3.41Å
176K50Low58.5Low196 Ų196140 Ų14085%0.85277%0.771SS**  trans-57.4110.9167.7-76.3-174.5176.3-178.10106.5G174 T178G174-K176 PolarHBondContact O-N 2.63Å; K176-T178 PolarHBondContact O-N 3.43Å; K176-T178 VanDerWaalsContact O-N 3.13Å
177C52.4Low56.6Low119 Ų119144.4 Ų144.480%0.80479%0.788SS**  trans-75.298.9172.3-160.20000106.1K175K175-C177 PolarHBondContact O-N 3.41Å
178T60.4Low55.3Low105 Ų105148.3 Ų148.364%0.64480%0.803SS**  trans-82.7110.7166.241.80000107.3K176K176-T178 PolarHBondContact O-N 3.43Å; K176-T178 VanDerWaalsContact O-N 3.13Å
179V54Low54.5Low136 Ų136154.5 Ų154.582%0.82483%0.829SS**  trans-81.1122.9166.2-173.40000106.3
180F55.2Low53.8Low253 Ų253157.5 Ų157.5100%1.1183%0.833SS**  trans-86.40168.9-72.6-83.2000109.7

Retrieved 180 of 180 residues in 429 ms (Link to these results)

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