A0A1D5QZT7_MACMU Loading...

Ankyrin repeat domain 63

AlphaFold DB , UniProt , Accession A0A1D5QZT7, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ANKRD63, Length 382 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
1M38.1Very low50.9Low237 Ų237126.6 Ų126.6100%1.16764%0.644SS**  0106.30-67.2177.493.800107.4K3M1-K3 PolarHBondContact O-N 3.25Å
2L40.5Very low52.7Low146 Ų146116.3 Ų116.376%0.76459%0.592SS**  trans-65.3127.8172.5-101.575.3000107.8
3K42.5Very low54.5Low153 Ų153108.5 Ų108.567%0.66555%0.554SS**  trans-68.9139.9173.6-70.2173.1-178.7171.50107.3M1 K5 D6M1-K3 PolarHBondContact O-N 3.25Å; K3-K5 PolarHBondContact O-N 3.34Å; K3-D6 PolarHBondContact O-N 3.04Å
4P53.2Low56.3Low65 Ų65112.8 Ų112.842%0.42256%0.56SS.*G310 helixtrans-53.3-23.5179.2-25.132000113.6D6 A34 L35P4-D6 VanDerWaalsContact C-N 3.26Å; P4-D6 PolarHBondContact O-N 3.32Å; P4-A34 WeakPolarHBondContact CB-O 3.35Å; P4-L35 HydrophobicContact CB-CD2 3.76Å; P4-L35 WeakPolarHBondContact O-CD2 3.25Å
5K51.4Low58.1Low161 Ų161109.5 Ų109.570%0.755%0.548SS*.G310 helixtrans-71.8-13.1-178.8-56.1-172.6175.6-1720114.8K3K3-K5 PolarHBondContact O-N 3.34Å
6D46.2Very low59.8Low108 Ų108102.7 Ų102.758%0.57851%0.514SS*.G310 helixtrans-101.8-2.6-177.1-55-37.6000113K3 P4 C8K3-D6 PolarHBondContact O-N 3.04Å; P4-D6 VanDerWaalsContact C-N 3.26Å; P4-D6 PolarHBondContact O-N 3.32Å; D6-C8 PolarHBondContact O-N 2.93Å
7L52.2Low61.3Low81 Ų8198.1 Ų98.142%0.42449%0.491SS..SBendtrans-71118.2168.2-87.4147.6000107.7A11 L35L7-A11 HydrophobicContact CD2-CB 4.16Å; L7-L35 HydrophobicContact CB-CD2 4.07Å; L7-L35 HydrophobicContact CD1-CD1 4.47Å; L7-L35 HydrophobicContact CD1-CD2 3.59Å; L7-L35 HydrophobicContact CG-CD2 4.47Å
8C52.4Low62.6Low86 Ų8697.8 Ų97.858%0.58149%0.488SS*.  trans-43.7131.6172.1-57.10000108.4D6 R10 A11 G12D6-C8 PolarHBondContact O-N 2.93Å; C8-R10 PolarHBondContact O-N 3.28Å; C8-A11 HydrophobicContact CB-CB 4.43Å; C8-A11 WeakPolarHBondContact O-CB 3.36Å; C8-A11 PolarHBondContact O-N 2.94Å; C8-G12 PolarHBondContact O-N 3.41Å
9P57.5Low64Low96 Ų9692.8 Ų92.862%0.62346%0.464SS*.Hα-helixtrans-48.3-38-178.9-28.131.9000111.3A11 G12 T13P9-A11 VanDerWaalsContact C-N 3.32Å; P9-A11 PolarHBondContact O-N 2.77Å; P9-G12 PolarHBondContact O-N 3.35Å; P9-T13 WeakPolarHBondContact O-CB 3.36Å; P9-T13 WeakPolarHBondContact O-CG2 3.3Å; P9-T13 PolarHBondContact O-N 3.31Å; P9-T13 PolarHBondContact O-OG1 2.86Å; P9-T13 VanDerWaalsContact O-OG1 3.06Å
10R59.2Low65.1Low221 Ų22188.2 Ų88.283%0.83444%0.441SS*.Hα-helixtrans-62.9-27.1178-158.5169.8174.2166.8-2.1115.5C8 T13 R14C8-R10 PolarHBondContact O-N 3.28Å; R10-T13 WeakPolarHBondContact CA-OG1 3.14Å; R10-T13 PolarHBondContact O-OG1 2.96Å; R10-T13 VanDerWaalsContact O-OG1 3.08Å; R10-R14 WeakPolarHBondContact O-CB 3.11Å; R10-R14 PolarHBondContact O-N 3.41Å
11A66.3Low66Low39 Ų3990.8 Ų90.832%0.32245%0.451SS..Hα-helixtrans-82.3-45.3176.700000111.3L7 C8 P9 T13 R14 T15L7-A11 HydrophobicContact CD2-CB 4.16Å; C8-A11 HydrophobicContact CB-CB 4.43Å; C8-A11 WeakPolarHBondContact O-CB 3.36Å; C8-A11 PolarHBondContact O-N 2.94Å; P9-A11 VanDerWaalsContact C-N 3.32Å; P9-A11 PolarHBondContact O-N 2.77Å; A11-T13 VanDerWaalsContact C-N 3.32Å; A11-T13 PolarHBondContact O-N 3.37Å; A11-R14 PolarHBondContact O-N 2.87Å; A11-T15 WeakPolarHBondContact O-CG2 3.45Å; A11-T15 PolarHBondContact O-N 3.36Å; A11-T15 PolarHBondContact O-OG1 3.31Å
12G73.1Confident68.4Low2 Ų282.3 Ų82.32%0.02142%0.419CS..Hα-helixtrans-64-35.6176.100000113C8 P9 T15 F16C8-G12 PolarHBondContact O-N 3.41Å; P9-G12 PolarHBondContact O-N 3.35Å; G12-T15 WeakPolarHBondContact CA-OG1 3.39Å; G12-T15 PolarHBondContact O-OG1 3.48Å; G12-F16 WeakPolarHBondContact O-CB 3.47Å; G12-F16 PolarHBondContact O-N 3.22Å
13T75.4Confident70.6Confident16 Ų1676.3 Ų76.310%0.09839%0.392CS..Hα-helixtrans-68.6-38.5174.957.40000111.7P9 R10 A11 F16 L17 I39 C42P9-T13 WeakPolarHBondContact O-CB 3.36Å; P9-T13 WeakPolarHBondContact O-CG2 3.3Å; P9-T13 PolarHBondContact O-N 3.31Å; P9-T13 PolarHBondContact O-OG1 2.86Å; P9-T13 VanDerWaalsContact O-OG1 3.06Å; R10-T13 WeakPolarHBondContact CA-OG1 3.14Å; R10-T13 PolarHBondContact O-OG1 2.96Å; R10-T13 VanDerWaalsContact O-OG1 3.08Å; A11-T13 VanDerWaalsContact C-N 3.32Å; A11-T13 PolarHBondContact O-N 3.37Å; T13-F16 PolarHBondContact O-N 3.21Å; T13-L17 WeakPolarHBondContact O-CB 3.26Å; T13-L17 WeakPolarHBondContact O-CG 3.2Å; T13-L17 PolarHBondContact O-N 3.23Å; T13-I39 HydrophobicContact CG2-CB 4.26Å; T13-I39 HydrophobicContact CG2-CG1 4.06Å; T13-I39 HydrophobicContact CG2-CG2 3.89Å; T13-C42 HydrophobicContact CG2-CB 3.39Å; T13-C42 WeakPolarHBondContact CG2-SG 3.11Å
14R79.4Confident72.8Confident168 Ų16874.9 Ų74.963%0.63439%0.386SS*.Hα-helixtrans-66.5-45.8177.9-175.7177.8177.9143.11.3111.5R10 A11 F16 L17 E18R10-R14 WeakPolarHBondContact O-CB 3.11Å; R10-R14 PolarHBondContact O-N 3.41Å; A11-R14 PolarHBondContact O-N 2.87Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.08Å; R14-L17 PolarHBondContact O-N 3.44Å; R14-E18 HydrophobicContact CG-CG 4.49Å; R14-E18 WeakPolarHBondContact CG-OE1 3.06Å; R14-E18 IonicContact CZ-OE1 2.66Å; R14-E18 IonicContact NE-OE1 2.98Å; R14-E18 PolarHBondContact NE-OE1 2.89Å; R14-E18 IonicContact NH2-OE1 3.07Å; R14-E18 WeakPolarHBondContact O-CB 3.31Å; R14-E18 WeakPolarHBondContact O-CG 3.21Å; R14-E18 PolarHBondContact O-N 2.99Å
15T83.9Confident74.5Confident64 Ų6473 Ų7339%0.39337%0.374SS..Hα-helixtrans-63.3-37.4176.954.80000111.7A11 G12 A19A11-T15 WeakPolarHBondContact O-CG2 3.45Å; A11-T15 PolarHBondContact O-N 3.36Å; A11-T15 PolarHBondContact O-OG1 3.31Å; G12-T15 WeakPolarHBondContact CA-OG1 3.39Å; G12-T15 PolarHBondContact O-OG1 3.48Å; T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 3.47Å
16F85.8Confident76.1Confident0 Ų073.3 Ų73.30%038%0.377CS..Hα-helixtrans-61.5-49.6172.9-176.8-107000112.2G12 T13 R14 E18 A19 M20 A28 V31 L32 I39 P50 L70G12-F16 WeakPolarHBondContact O-CB 3.47Å; G12-F16 PolarHBondContact O-N 3.22Å; T13-F16 PolarHBondContact O-N 3.21Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.08Å; F16-E18 PolarHBondContact O-N 3.03Å; F16-A19 WeakPolarHBondContact O-CB 3.48Å; F16-A19 PolarHBondContact O-N 3.06Å; F16-M20 HydrophobicContact CD1-CG 4.3Å; F16-M20 HydrophobicContact CD1-SD 3.67Å; F16-M20 HydrophobicContact CE1-CG 3.91Å; F16-M20 HydrophobicContact CE1-SD 3.12Å; F16-M20 WeakPolarHBondContact CE1-SD 3.48Å; F16-M20 HydrophobicContact CE2-CG 4.48Å; F16-M20 HydrophobicContact CZ-CG 3.98Å; F16-M20 HydrophobicContact CZ-SD 3.69Å; F16-M20 WeakPolarHBondContact O-CG 3.44Å; F16-M20 PolarHBondContact O-N 3.03Å; F16-A28 HydrophobicContact CD2-CB 4Å; F16-A28 HydrophobicContact CE2-CB 3.59Å; F16-A28 WeakPolarHBondContact CE2-O 3.5Å; F16-A28 HydrophobicContact CZ-CB 4.46Å; F16-V31 HydrophobicContact CB-CG1 3.77Å; F16-V31 HydrophobicContact CD2-CB 4.32Å; F16-V31 HydrophobicContact CD2-CG1 3.9Å; F16-V31 HydrophobicContact CG-CG1 4.29Å; F16-L32 HydrophobicContact CD2-CD1 4.27Å; F16-L32 HydrophobicContact CD2-CD2 4.27Å; F16-L32 HydrophobicContact CD2-CG 3.87Å; F16-L32 HydrophobicContact CE2-CD1 3.3Å; F16-L32 HydrophobicContact CE2-CD2 3.99Å; F16-L32 HydrophobicContact CE2-CG 3.4Å; F16-L32 HydrophobicContact CZ-CD1 3.56Å; F16-L32 HydrophobicContact CZ-CD2 4.24Å; F16-L32 HydrophobicContact CZ-CG 3.99Å; F16-I39 HydrophobicContact CB-CG2 4.34Å; F16-I39 HydrophobicContact CG-CG2 4.45Å; F16-P50 HydrophobicContact CD1-CB 4.04Å; F16-P50 HydrophobicContact CD1-CG 4.45Å; F16-P50 HydrophobicContact CE1-CB 3.65Å; F16-P50 HydrophobicContact CE1-CG 4.43Å; F16-L70 HydrophobicContact CE1-CD1 4.46Å; F16-L70 HydrophobicContact CE1-CD2 3.85Å; F16-L70 HydrophobicContact CZ-CD1 4.5Å; F16-L70 HydrophobicContact CZ-CD2 3.69Å; F16-L70 HydrophobicContact CZ-CG 4.25Å
17L84.2Confident78Confident24 Ų2472 Ų7213%0.12637%0.37CS..Hα-helixtrans-65-38.9-179.8-67.6171.6000112.3T13 R14 M20 Q21 A44 P50 V53T13-L17 WeakPolarHBondContact O-CB 3.26Å; T13-L17 WeakPolarHBondContact O-CG 3.2Å; T13-L17 PolarHBondContact O-N 3.23Å; R14-L17 PolarHBondContact O-N 3.44Å; L17-M20 HydrophobicContact CD2-SD 4.11Å; L17-M20 WeakPolarHBondContact O-CB 3.32Å; L17-M20 PolarHBondContact O-N 3.44Å; L17-Q21 WeakPolarHBondContact O-CG 3.49Å; L17-Q21 PolarHBondContact O-N 2.98Å; L17-A44 HydrophobicContact CD1-CB 3.65Å; L17-P50 HydrophobicContact CD2-CB 4.29Å; L17-V53 HydrophobicContact CD2-CB 4.02Å; L17-V53 HydrophobicContact CD2-CG1 4.04Å; L17-V53 HydrophobicContact CD2-CG2 4.03Å
18E85.6Confident79.6Confident94 Ų9468.1 Ų68.144%0.43935%0.35SS..Hα-helixtrans-63.7-40.7172.9-74.9173.9-172.400111.2R14 F16 M20 Q21 A22R14-E18 HydrophobicContact CG-CG 4.49Å; R14-E18 WeakPolarHBondContact CG-OE1 3.06Å; R14-E18 IonicContact CZ-OE1 2.66Å; R14-E18 IonicContact NE-OE1 2.98Å; R14-E18 PolarHBondContact NE-OE1 2.89Å; R14-E18 IonicContact NH2-OE1 3.07Å; R14-E18 WeakPolarHBondContact O-CB 3.31Å; R14-E18 WeakPolarHBondContact O-CG 3.21Å; R14-E18 PolarHBondContact O-N 2.99Å; F16-E18 PolarHBondContact O-N 3.03Å; E18-M20 VanDerWaalsContact C-N 3.32Å; E18-M20 PolarHBondContact O-N 3.3Å; E18-Q21 PolarHBondContact O-N 3.47Å; E18-A22 VanDerWaalsContact O-CB 3.26Å; E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 2.93Å
19A88.1Confident81.2Confident3 Ų371 Ų713%0.02535%0.348CS..Hα-helixtrans-63.6-37.1174.300000112.3T15 F16 G23 K24 L27 A28T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 3.47Å; F16-A19 WeakPolarHBondContact O-CB 3.48Å; F16-A19 PolarHBondContact O-N 3.06Å; A19-G23 PolarHBondContact O-N 2.91Å; A19-K24 PolarHBondContact O-N 3.39Å; A19-L27 HydrophobicContact CB-CB 4.3Å; A19-L27 HydrophobicContact CB-CD2 3.85Å; A19-L27 HydrophobicContact CB-CG 3.99Å; A19-A28 HydrophobicContact CB-CB 4.16Å
20M86.3Confident82.6Confident0 Ų073 Ų730%035%0.348CS..Hα-helixtrans-65.2-47.3174.2-70.3176.669.500112.4F16 L17 E18 A22 G23 P50 A54 L57 F66 L70F16-M20 HydrophobicContact CD1-CG 4.3Å; F16-M20 HydrophobicContact CD1-SD 3.67Å; F16-M20 HydrophobicContact CE1-CG 3.91Å; F16-M20 HydrophobicContact CE1-SD 3.12Å; F16-M20 WeakPolarHBondContact CE1-SD 3.48Å; F16-M20 HydrophobicContact CE2-CG 4.48Å; F16-M20 HydrophobicContact CZ-CG 3.98Å; F16-M20 HydrophobicContact CZ-SD 3.69Å; F16-M20 WeakPolarHBondContact O-CG 3.44Å; F16-M20 PolarHBondContact O-N 3.03Å; L17-M20 HydrophobicContact CD2-SD 4.11Å; L17-M20 WeakPolarHBondContact O-CB 3.32Å; L17-M20 PolarHBondContact O-N 3.44Å; E18-M20 VanDerWaalsContact C-N 3.32Å; E18-M20 PolarHBondContact O-N 3.3Å; M20-A22 VanDerWaalsContact C-N 3.29Å; M20-A22 PolarHBondContact O-N 3.01Å; M20-G23 PolarHBondContact O-N 3.05Å; M20-P50 HydrophobicContact SD-CB 4.46Å; M20-A54 HydrophobicContact CE-CB 3.35Å; M20-L57 HydrophobicContact CE-CD1 4.47Å; M20-F66 HydrophobicContact CB-CD1 4.48Å; M20-F66 HydrophobicContact CB-CE1 4.24Å; M20-F66 HydrophobicContact CB-CZ 4.28Å; M20-F66 HydrophobicContact CE-CB 4.17Å; M20-F66 HydrophobicContact CE-CD1 4.4Å; M20-F66 HydrophobicContact CE-CG 4.28Å; M20-F66 HydrophobicContact CG-CD1 3.74Å; M20-F66 HydrophobicContact CG-CE1 3.69Å; M20-F66 HydrophobicContact CG-CG 4.31Å; M20-F66 HydrophobicContact CG-CZ 4.23Å; M20-L70 HydrophobicContact CE-CD1 4.21Å
21Q84.6Confident83.7Confident142 Ų14263.1 Ų63.166%0.66431%0.311SS*.Hα-helixtrans-64.2-35.6177.9-71.7175.69.500111.9L17 E18 G23L17-Q21 WeakPolarHBondContact O-CG 3.49Å; L17-Q21 PolarHBondContact O-N 2.98Å; E18-Q21 PolarHBondContact O-N 3.47Å; Q21-G23 PolarHBondContact O-N 3.36Å
22A87.8Confident84.4Confident59 Ų5961.6 Ų61.649%0.48830%0.298SS..THydrogen-bonded Turntrans-77.4-1.4174.500000113.8E18 M20 K24E18-A22 VanDerWaalsContact O-CB 3.26Å; E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 2.93Å; M20-A22 VanDerWaalsContact C-N 3.29Å; M20-A22 PolarHBondContact O-N 3.01Å; A22-K24 HydrophobicContact CB-CD 4.19Å; A22-K24 HydrophobicContact CB-CG 4.06Å; A22-K24 PolarHBondContact O-N 3.07Å
23G87.3Confident84.8Confident20 Ų2066.1 Ų66.121%0.20632%0.321CS..THydrogen-bonded Turntrans68.813.3-17900000114.9A19 M20 Q21 V25A19-G23 PolarHBondContact O-N 2.91Å; M20-G23 PolarHBondContact O-N 3.05Å; Q21-G23 PolarHBondContact O-N 3.36Å; G23-V25 VanDerWaalsContact C-N 3.34Å; G23-V25 PolarHBondContact O-N 3.35Å
24K88.7Confident85Confident124 Ų12467 Ų6754%0.53933%0.331SS..  trans-82.874.4-176.4-64179.5-177.81740111A19 A22 H26 L27 A28A19-K24 PolarHBondContact O-N 3.39Å; A22-K24 HydrophobicContact CB-CD 4.19Å; A22-K24 HydrophobicContact CB-CG 4.06Å; A22-K24 PolarHBondContact O-N 3.07Å; K24-H26 VanDerWaalsContact C-N 3.3Å; K24-H26 PolarHBondContact O-N 3.17Å; K24-L27 HydrophobicContact CB-CB 3.88Å; K24-L27 HydrophobicContact CB-CD2 4.41Å; K24-L27 HydrophobicContact CD-CD2 4.01Å; K24-L27 PolarHBondContact O-N 3.01Å; K24-L27 VanDerWaalsContact O-N 3.16Å; K24-A28 PolarHBondContact O-N 3.4Å
25V88.1Confident84.4Confident26 Ų2660.2 Ų60.216%0.15831%0.307CS..Hα-helixtrans-56-41.2-176.4-175.30000112.6G23 A28 R29 L62 F66 L69G23-V25 VanDerWaalsContact C-N 3.34Å; G23-V25 PolarHBondContact O-N 3.35Å; V25-A28 PolarHBondContact O-N 2.87Å; V25-R29 WeakPolarHBondContact O-CB 3.44Å; V25-R29 PolarHBondContact O-N 3.49Å; V25-L62 HydrophobicContact CG2-CD2 4.08Å; V25-F66 HydrophobicContact CB-CZ 4.34Å; V25-F66 HydrophobicContact CG2-CE1 4.31Å; V25-F66 HydrophobicContact CG2-CE2 3.97Å; V25-F66 HydrophobicContact CG2-CZ 3.77Å; V25-L69 HydrophobicContact CG1-CD1 3.94Å
26H86.9Confident83.4Confident167 Ų16761.4 Ų61.477%0.77331%0.311SS*.Hα-helixtrans-66.4-40.9179.7-61.8-68.5000112.7K24 R29 F30K24-H26 VanDerWaalsContact C-N 3.3Å; K24-H26 PolarHBondContact O-N 3.17Å; H26-R29 PolarHBondContact O-N 3.4Å; H26-F30 WeakPolarHBondContact O-CB 3.41Å; H26-F30 PolarHBondContact O-N 3.37Å
27L85.6Confident82.5Confident80 Ų8070.7 Ų70.742%0.41935%0.346SS..Hα-helixtrans-64.9-43.9176.1179.362.1000110.4A19 K24 R29 F30 V31A19-L27 HydrophobicContact CB-CB 4.3Å; A19-L27 HydrophobicContact CB-CD2 3.85Å; A19-L27 HydrophobicContact CB-CG 3.99Å; K24-L27 HydrophobicContact CB-CB 3.88Å; K24-L27 HydrophobicContact CB-CD2 4.41Å; K24-L27 HydrophobicContact CD-CD2 4.01Å; K24-L27 PolarHBondContact O-N 3.01Å; K24-L27 VanDerWaalsContact O-N 3.16Å; L27-R29 PolarHBondContact O-N 3.31Å; L27-F30 PolarHBondContact O-N 2.75Å; L27-V31 HydrophobicContact CD1-CG2 4.39Å; L27-V31 WeakPolarHBondContact O-CB 3.25Å; L27-V31 VanDerWaalsContact O-CG2 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.43Å; L27-V31 PolarHBondContact O-N 3.39Å
28A85.9Confident81.7Confident0 Ų073.8 Ų73.80%037%0.369CS..Hα-helixtrans-62.5-41.7176.900000112.3F16 A19 K24 V25 V31 L32 F66F16-A28 HydrophobicContact CD2-CB 4Å; F16-A28 HydrophobicContact CE2-CB 3.59Å; F16-A28 WeakPolarHBondContact CE2-O 3.5Å; F16-A28 HydrophobicContact CZ-CB 4.46Å; A19-A28 HydrophobicContact CB-CB 4.16Å; K24-A28 PolarHBondContact O-N 3.4Å; V25-A28 PolarHBondContact O-N 2.87Å; A28-V31 PolarHBondContact O-N 2.85Å; A28-L32 WeakPolarHBondContact O-CG 3.38Å; A28-L32 PolarHBondContact O-N 3.17Å; A28-F66 HydrophobicContact CB-CD1 4.38Å; A28-F66 HydrophobicContact CB-CE1 3.51Å; A28-F66 HydrophobicContact CB-CZ 4.37Å
29R86.4Confident81.2Confident145 Ų14569.5 Ų69.555%0.54735%0.349SS..Hα-helixtrans-61-48.8173.6-170.4175.1175.9160.81.8111.4V25 H26 L27 V31 L32 D33 L69V25-R29 WeakPolarHBondContact O-CB 3.44Å; V25-R29 PolarHBondContact O-N 3.49Å; H26-R29 PolarHBondContact O-N 3.4Å; L27-R29 PolarHBondContact O-N 3.31Å; R29-V31 VanDerWaalsContact C-N 3.3Å; R29-V31 PolarHBondContact O-N 2.9Å; R29-L32 PolarHBondContact O-N 3.23Å; R29-L32 VanDerWaalsContact O-N 3.17Å; R29-D33 IonicContact NE-OD2 3.76Å; R29-D33 PolarHBondContact O-N 3.26Å; R29-L69 HydrophobicContact CB-CD1 3.96Å; R29-L69 HydrophobicContact CG-CD1 4.4Å
30F85.3Confident80.6Confident140 Ų14069.5 Ų69.561%0.61435%0.349SS*.Hα-helixtrans-58.9-43.4177.7178.2-96.5000111.7H26 L27 L32 D33 A34H26-F30 WeakPolarHBondContact O-CB 3.41Å; H26-F30 PolarHBondContact O-N 3.37Å; L27-F30 PolarHBondContact O-N 2.75Å; F30-L32 VanDerWaalsContact C-N 3.34Å; F30-L32 PolarHBondContact O-N 2.98Å; F30-D33 PolarHBondContact O-N 3.24Å; F30-A34 HydrophobicContact CE1-CB 4.38Å; F30-A34 WeakPolarHBondContact O-CB 3.12Å; F30-A34 PolarHBondContact O-N 3.33Å
31V83.3Confident80.2Confident12 Ų1272.8 Ų72.87%0.07337%0.367CS..Hα-helixtrans-60.3-43.5176.2162.50000111.2F16 L27 A28 R29 A34 L35F16-V31 HydrophobicContact CB-CG1 3.77Å; F16-V31 HydrophobicContact CD2-CB 4.32Å; F16-V31 HydrophobicContact CD2-CG1 3.9Å; F16-V31 HydrophobicContact CG-CG1 4.29Å; L27-V31 HydrophobicContact CD1-CG2 4.39Å; L27-V31 WeakPolarHBondContact O-CB 3.25Å; L27-V31 VanDerWaalsContact O-CG2 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.43Å; L27-V31 PolarHBondContact O-N 3.39Å; A28-V31 PolarHBondContact O-N 2.85Å; R29-V31 VanDerWaalsContact C-N 3.3Å; R29-V31 PolarHBondContact O-N 2.9Å; V31-A34 PolarHBondContact O-N 3.48Å; V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 VanDerWaalsContact O-CB 3.3Å; V31-L35 WeakPolarHBondContact O-CB 3.17Å; V31-L35 PolarHBondContact O-N 2.89Å
32L80.9Confident79.9Confident7 Ų767 Ų674%0.03734%0.342CS..Hα-helixtrans-67.9-40.1177.4-74.8170.3000113.2F16 A28 R29 F30 A34 I39 I40 L69 L70 Q73F16-L32 HydrophobicContact CD2-CD1 4.27Å; F16-L32 HydrophobicContact CD2-CD2 4.27Å; F16-L32 HydrophobicContact CD2-CG 3.87Å; F16-L32 HydrophobicContact CE2-CD1 3.3Å; F16-L32 HydrophobicContact CE2-CD2 3.99Å; F16-L32 HydrophobicContact CE2-CG 3.4Å; F16-L32 HydrophobicContact CZ-CD1 3.56Å; F16-L32 HydrophobicContact CZ-CD2 4.24Å; F16-L32 HydrophobicContact CZ-CG 3.99Å; A28-L32 WeakPolarHBondContact O-CG 3.38Å; A28-L32 PolarHBondContact O-N 3.17Å; R29-L32 PolarHBondContact O-N 3.23Å; R29-L32 VanDerWaalsContact O-N 3.17Å; F30-L32 VanDerWaalsContact C-N 3.34Å; F30-L32 PolarHBondContact O-N 2.98Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-I39 HydrophobicContact CD2-CG2 4.29Å; L32-I40 HydrophobicContact CD2-CG1 3.75Å; L32-L69 HydrophobicContact CD1-CD2 3.14Å; L32-L70 HydrophobicContact CD1-CD2 4.09Å; L32-Q73 HydrophobicContact CD1-CG 4.48Å
33D82Confident79.5Confident97 Ų9772.7 Ų72.752%0.51935%0.35SS..Hα-helixtrans-69.8-30.3177.6-68.3-20.8000111.2R29 F30 Q73R29-D33 IonicContact NE-OD2 3.76Å; R29-D33 PolarHBondContact O-N 3.26Å; F30-D33 PolarHBondContact O-N 3.24Å; D33-Q73 PolarHBondContact OD1-NE2 2.88Å
34A78.1Confident78.9Confident36 Ų3673 Ų7330%0.29835%0.351SS..Hα-helixtrans-90.9-31.1-175.200000115.2P4 F30 V31 L32P4-A34 WeakPolarHBondContact CB-O 3.35Å; F30-A34 HydrophobicContact CE1-CB 4.38Å; F30-A34 WeakPolarHBondContact O-CB 3.12Å; F30-A34 PolarHBondContact O-N 3.33Å; V31-A34 PolarHBondContact O-N 3.48Å; L32-A34 VanDerWaalsContact C-N 3.3Å
35L67.9Low78.1Confident25 Ų2574.2 Ų74.213%0.13136%0.359CS..SBendtrans-11128.9-165.1-70166.2000115.4P4 L7 V31 I39P4-L35 HydrophobicContact CB-CD2 3.76Å; P4-L35 WeakPolarHBondContact O-CD2 3.25Å; L7-L35 HydrophobicContact CB-CD2 4.07Å; L7-L35 HydrophobicContact CD1-CD1 4.47Å; L7-L35 HydrophobicContact CD1-CD2 3.59Å; L7-L35 HydrophobicContact CG-CD2 4.47Å; V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 VanDerWaalsContact O-CB 3.3Å; V31-L35 WeakPolarHBondContact O-CB 3.17Å; V31-L35 PolarHBondContact O-N 2.89Å; L35-I39 HydrophobicContact CB-CD1 3.38Å; L35-I39 HydrophobicContact CD1-CD1 4.31Å; L35-I39 HydrophobicContact CG-CD1 4.42Å
36D62.8Low77.4Confident89 Ų8977.6 Ų77.648%0.47637%0.373SS..  trans62.2147.8-180-72.8-37.2000114.6S38 I39D36-S38 PolarHBondContact O-N 2.96Å; D36-I39 PolarHBondContact O-N 2.92Å
37R66.4Low77.1Confident195 Ų19570 Ų7074%0.73634%0.339SS*.G310 helixtrans-58.5-9.7-177.8-66.8-179.5-177.5164.90.4114.6I39 I40R37-I39 PolarHBondContact O-N 3.25Å; R37-I40 HydrophobicContact CB-CD1 3.89Å; R37-I40 HydrophobicContact CG-CD1 4.09Å; R37-I40 WeakPolarHBondContact O-CB 3.39Å; R37-I40 WeakPolarHBondContact O-CG1 3.35Å; R37-I40 PolarHBondContact O-N 3.19Å
38S68.6Low77Confident88 Ų8869 Ų6962%0.61533%0.33SS*.G310 helixtrans-65.5-23.7-179.3670000113.6D36 I40D36-S38 PolarHBondContact O-N 2.96Å; S38-I40 VanDerWaalsContact C-N 3.29Å; S38-I40 PolarHBondContact O-N 3.42Å
39I74.3Confident77.1Confident4 Ų469.1 Ų69.12%0.02133%0.331CS..G310 helixtrans-70.8-26.4177-68.9178.7000111.7T13 F16 L32 L35 D36 R37 D41 C42T13-I39 HydrophobicContact CG2-CB 4.26Å; T13-I39 HydrophobicContact CG2-CG1 4.06Å; T13-I39 HydrophobicContact CG2-CG2 3.89Å; F16-I39 HydrophobicContact CB-CG2 4.34Å; F16-I39 HydrophobicContact CG-CG2 4.45Å; L32-I39 HydrophobicContact CD2-CG2 4.29Å; L35-I39 HydrophobicContact CB-CD1 3.38Å; L35-I39 HydrophobicContact CD1-CD1 4.31Å; L35-I39 HydrophobicContact CG-CD1 4.42Å; D36-I39 PolarHBondContact O-N 2.92Å; R37-I39 PolarHBondContact O-N 3.25Å; I39-D41 VanDerWaalsContact C-N 3.35Å; I39-D41 PolarHBondContact O-N 3.43Å; I39-C42 VanDerWaalsContact O-CB 3.31Å; I39-C42 WeakPolarHBondContact O-CB 3.38Å; I39-C42 PolarHBondContact O-N 2.94Å; I39-C42 PolarHBondContact O-SG 3.33Å
40I75.6Confident77.2Confident4 Ų462.2 Ų62.22%0.02131%0.305CS..THydrogen-bonded Turntrans-63.5-41.4-170.1-59.6169.8000111.9L32 R37 S38 P50 L70 Q73 A75L32-I40 HydrophobicContact CD2-CG1 3.75Å; R37-I40 HydrophobicContact CB-CD1 3.89Å; R37-I40 HydrophobicContact CG-CD1 4.09Å; R37-I40 WeakPolarHBondContact O-CB 3.39Å; R37-I40 WeakPolarHBondContact O-CG1 3.35Å; R37-I40 PolarHBondContact O-N 3.19Å; S38-I40 VanDerWaalsContact C-N 3.29Å; S38-I40 PolarHBondContact O-N 3.42Å; I40-P50 VanDerWaalsContact O-CD 3.32Å; I40-P50 WeakPolarHBondContact O-CD 3.34Å; I40-P50 WeakPolarHBondContact O-CG 3.4Å; I40-L70 HydrophobicContact CG2-CD2 4.34Å; I40-Q73 HydrophobicContact CD1-CB 3.73Å; I40-Q73 VanDerWaalsContact CD1-O 3.26Å; I40-Q73 WeakPolarHBondContact CD1-O 3.28Å; I40-A75 HydrophobicContact CG2-CB 3.33Å
41D78Confident77.4Confident69 Ų6955.6 Ų55.637%0.36928%0.276SS..THydrogen-bonded Turntrans-102.212.6-179.1-67.5-30000112.7I39 A76 L79I39-D41 VanDerWaalsContact C-N 3.35Å; I39-D41 PolarHBondContact O-N 3.43Å; D41-A76 PolarHBondContact OD1-N 3.36Å; D41-L79 HydrophobicContact CB-CD1 3.75Å; D41-L79 WeakPolarHBondContact OD1-CD1 3.14Å
42C78Confident77.7Confident21 Ų2155.1 Ų55.114%0.14227%0.273CS..  trans-58147.6177.974.40000110.8T13 I39 T49 P50T13-C42 HydrophobicContact CG2-CB 3.39Å; T13-C42 WeakPolarHBondContact CG2-SG 3.11Å; I39-C42 VanDerWaalsContact O-CB 3.31Å; I39-C42 WeakPolarHBondContact O-CB 3.38Å; I39-C42 PolarHBondContact O-N 2.94Å; I39-C42 PolarHBondContact O-SG 3.33Å; C42-T49 WeakPolarHBondContact O-CA 3.44Å; C42-P50 WeakPolarHBondContact O-CD 3.19Å; C42-P50 VanDerWaalsContact SG-CD 3.59Å; C42-P50 WeakPolarHBondContact SG-CG 3.34Å
43R78.8Confident78.1Confident177 Ų17756.1 Ų56.167%0.66828%0.279SS*.  trans-92.6115.1170.9-69.7-170.8174106.2-1108.5
44A76.3Confident78.5Confident26 Ų2651.5 Ų51.522%0.21525%0.254CS..  trans-76.1-164.2168.400000110.3L17 G47 R48L17-A44 HydrophobicContact CD1-CB 3.65Å; A44-G47 PolarHBondContact O-N 3.4Å; A44-R48 VanDerWaalsContact CB-O 3.25Å; A44-R48 WeakPolarHBondContact CB-O 3.49Å; A44-R48 PolarHBondContact N-O 3.19Å
45E71.7Confident79.1Confident150 Ų15049.8 Ų49.870%0.70124%0.24SC*.G310 helixtrans-58.9146.4172.6-55.2-160.4170.400111.3G47 R48E45-G47 PolarHBondContact O-N 2.94Å; E45-R48 PolarHBondContact O-N 3.38Å
46Q72.3Confident80.1Confident98 Ų9849.6 Ų49.646%0.45824%0.244SC..G310 helixtrans60.122.8-174.9-46.689.832.500114.7R48 E82Q46-R48 HydrophobicContact CB-CG 4.48Å; Q46-R48 PolarHBondContact O-N 3.42Å; Q46-E82 VanDerWaalsContact CA-CD 3.44Å; Q46-E82 WeakPolarHBondContact CA-OE1 3.21Å; Q46-E82 WeakPolarHBondContact CA-OE2 3.37Å; Q46-E82 WeakPolarHBondContact O-CG 3.21Å; Q46-E82 PolarHBondContact O-N 2.94Å
47G80.1Confident81.3Confident6 Ų646 Ų466%0.06223%0.225CC..G310 helixtrans6914.418000000114.4A44 E45 E82A44-G47 PolarHBondContact O-N 3.4Å; E45-G47 PolarHBondContact O-N 2.94Å; G47-E82 PolarHBondContact N-OE1 3.38Å; G47-E82 VanDerWaalsContact N-OE1 3.17Å
48R84.1Confident82.3Confident60 Ų6041.7 Ų41.723%0.22622%0.222CC..  trans-77.9139.1-176.3-69.6-173.9176.1175.99.2111.8A44 E45 Q46 M52 V53 D81A44-R48 VanDerWaalsContact CB-O 3.25Å; A44-R48 WeakPolarHBondContact CB-O 3.49Å; A44-R48 PolarHBondContact N-O 3.19Å; E45-R48 PolarHBondContact O-N 3.38Å; Q46-R48 HydrophobicContact CB-CG 4.48Å; Q46-R48 PolarHBondContact O-N 3.42Å; R48-M52 HydrophobicContact CB-CB 4.2Å; R48-M52 HydrophobicContact CB-SD 4.27Å; R48-M52 HydrophobicContact CG-SD 4.38Å; R48-V53 HydrophobicContact CB-CG2 4.29Å; R48-D81 HydrophobicContact CG-CB 4.16Å
49T88.3Confident83.3Confident3 Ų341.6 Ų41.62%0.01822%0.215CC..  trans-80.4157.9171.764.30000110.9C42 L51 M52 V53 L79C42-T49 WeakPolarHBondContact O-CA 3.44Å; T49-L51 PolarHBondContact O-N 3.09Å; T49-L51 VanDerWaalsContact O-N 3.15Å; T49-M52 WeakPolarHBondContact O-CA 3.44Å; T49-M52 WeakPolarHBondContact O-CB 3.14Å; T49-M52 PolarHBondContact O-N 3.45Å; T49-M52 WeakPolarHBondContact OG1-CG 3.39Å; T49-M52 PolarHBondContact OG1-N 3.38Å; T49-V53 PolarHBondContact O-N 3.18Å; T49-L79 HydrophobicContact CG2-CB 3.8Å; T49-L79 HydrophobicContact CG2-CD1 3.54Å; T49-L79 HydrophobicContact CG2-CG 4.31Å
50P87.5Confident84Confident0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-53.7-33.4172.6-21.524.8000112.8F16 L17 M20 I40 C42 M52 V53 A54 L70F16-P50 HydrophobicContact CD1-CB 4.04Å; F16-P50 HydrophobicContact CD1-CG 4.45Å; F16-P50 HydrophobicContact CE1-CB 3.65Å; F16-P50 HydrophobicContact CE1-CG 4.43Å; L17-P50 HydrophobicContact CD2-CB 4.29Å; M20-P50 HydrophobicContact SD-CB 4.46Å; I40-P50 VanDerWaalsContact O-CD 3.32Å; I40-P50 WeakPolarHBondContact O-CD 3.34Å; I40-P50 WeakPolarHBondContact O-CG 3.4Å; C42-P50 WeakPolarHBondContact O-CD 3.19Å; C42-P50 VanDerWaalsContact SG-CD 3.59Å; C42-P50 WeakPolarHBondContact SG-CG 3.34Å; P50-M52 PolarHBondContact O-N 2.82Å; P50-V53 PolarHBondContact O-N 3.02Å; P50-A54 WeakPolarHBondContact O-CB 3.46Å; P50-A54 PolarHBondContact O-N 3.34Å; P50-L70 HydrophobicContact CB-CD1 4.2Å; P50-L70 HydrophobicContact CB-CD2 4.23Å
51L90.4Very high84.7Confident1 Ų147.8 Ų47.81%0.00526%0.26CS..Hα-helixtrans-60.9-43.1173.1-174.568.3000112T49 V53 A54 V55 V67 L70 L71 A75 V77 A87 L103T49-L51 PolarHBondContact O-N 3.09Å; T49-L51 VanDerWaalsContact O-N 3.15Å; L51-V53 VanDerWaalsContact C-N 3.34Å; L51-A54 WeakPolarHBondContact O-CB 3.39Å; L51-A54 PolarHBondContact O-N 3.21Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.45Å; L51-V55 VanDerWaalsContact O-N 3.11Å; L51-V67 HydrophobicContact CD1-CG1 4.2Å; L51-L70 HydrophobicContact CB-CD1 4.41Å; L51-L70 HydrophobicContact CD1-CB 4.05Å; L51-L70 HydrophobicContact CD1-CD1 4.43Å; L51-L71 HydrophobicContact CD1-CD2 4.1Å; L51-L71 HydrophobicContact CD1-CG 4.03Å; L51-L71 HydrophobicContact CD2-CD2 4.05Å; L51-A75 HydrophobicContact CD2-CB 4.44Å; L51-V77 HydrophobicContact CD2-CG1 4.47Å; L51-A87 HydrophobicContact CD2-CB 3.94Å; L51-A87 HydrophobicContact CG-CB 4.04Å; L51-L103 HydrophobicContact CD1-CD2 4.35Å; L51-L103 HydrophobicContact CD2-CD2 4.02Å; L51-L103 HydrophobicContact CG-CD2 4.35Å
52M89.9Confident85.2Confident2 Ų246.5 Ų46.51%0.0125%0.253CS..Hα-helixtrans-66-35.9175.4-67.4171.4-178.100112.5R48 T49 P50 G56 L79 D81 R85 A87 L90R48-M52 HydrophobicContact CB-CB 4.2Å; R48-M52 HydrophobicContact CB-SD 4.27Å; R48-M52 HydrophobicContact CG-SD 4.38Å; T49-M52 WeakPolarHBondContact O-CA 3.44Å; T49-M52 WeakPolarHBondContact O-CB 3.14Å; T49-M52 PolarHBondContact O-N 3.45Å; T49-M52 WeakPolarHBondContact OG1-CG 3.39Å; T49-M52 PolarHBondContact OG1-N 3.38Å; P50-M52 PolarHBondContact O-N 2.82Å; M52-G56 PolarHBondContact O-N 3.49Å; M52-L79 VanDerWaalsContact CE-C 3.49Å; M52-L79 HydrophobicContact CE-CB 4.48Å; M52-L79 WeakPolarHBondContact CE-O 3.47Å; M52-D81 HydrophobicContact CE-CB 4.41Å; M52-D81 HydrophobicContact SD-CB 3.86Å; M52-R85 VanDerWaalsContact CE-O 3.29Å; M52-R85 WeakPolarHBondContact CE-O 3.5Å; M52-A87 HydrophobicContact CG-CB 4.1Å; M52-L90 HydrophobicContact CB-CD1 3.6Å; M52-L90 HydrophobicContact CG-CD1 3.76Å; M52-L90 HydrophobicContact SD-CD1 4.32Å
53V88.9Confident85.9Confident28 Ų2846 Ų4617%0.1725%0.249CC..Hα-helixtrans-68.7-38.8174.6-1790000110.8L17 R48 T49 P50 L51 V55 G56 L57L17-V53 HydrophobicContact CD2-CB 4.02Å; L17-V53 HydrophobicContact CD2-CG1 4.04Å; L17-V53 HydrophobicContact CD2-CG2 4.03Å; R48-V53 HydrophobicContact CB-CG2 4.29Å; T49-V53 PolarHBondContact O-N 3.18Å; P50-V53 PolarHBondContact O-N 3.02Å; L51-V53 VanDerWaalsContact C-N 3.34Å; V53-V55 PolarHBondContact O-N 2.95Å; V53-G56 CarbonylContact O-C 3.54Å; V53-G56 VanDerWaalsContact O-CA 3.29Å; V53-G56 WeakPolarHBondContact O-CA 2.91Å; V53-G56 PolarHBondContact O-N 2.73Å; V53-L57 PolarHBondContact O-N 3.32Å
54A90.6Very high86.5Confident0 Ų038.7 Ų38.70%023%0.226CC..Hα-helixtrans-58.7-47.2176.300000111.6M20 P50 L51 G56 L57 R63 F66 V67 L70M20-A54 HydrophobicContact CE-CB 3.35Å; P50-A54 WeakPolarHBondContact O-CB 3.46Å; P50-A54 PolarHBondContact O-N 3.34Å; L51-A54 WeakPolarHBondContact O-CB 3.39Å; L51-A54 PolarHBondContact O-N 3.21Å; A54-G56 PolarHBondContact O-N 2.93Å; A54-L57 WeakPolarHBondContact O-CB 3.3Å; A54-L57 WeakPolarHBondContact O-CG 3.39Å; A54-L57 PolarHBondContact O-N 3.37Å; A54-L57 VanDerWaalsContact O-N 3.12Å; A54-R63 WeakPolarHBondContact O-CG 3.35Å; A54-F66 HydrophobicContact CB-CB 3.95Å; A54-V67 HydrophobicContact CB-CG2 3.81Å; A54-L70 HydrophobicContact CB-CD1 3.91Å
55V90.9Very high87.3Confident0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-58.6-29.7173.8173.70000110.8L51 V53 L57 R63 V67 A87 L90 A91 H96 A99 L103L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.45Å; L51-V55 VanDerWaalsContact O-N 3.11Å; V53-V55 PolarHBondContact O-N 2.95Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 3.12Å; V55-R63 VanDerWaalsContact O-CD 3.23Å; V55-R63 WeakPolarHBondContact O-CD 3.42Å; V55-V67 HydrophobicContact CG2-CG2 3.97Å; V55-A87 HydrophobicContact CG2-CB 4.4Å; V55-L90 HydrophobicContact CG1-CB 4.2Å; V55-A91 HydrophobicContact CG1-CB 3.58Å; V55-H96 PolarHBondContact O-CD2 2.81Å; V55-A99 HydrophobicContact CG1-CB 4.41Å; V55-A99 HydrophobicContact CG2-CB 4.31Å; V55-L103 HydrophobicContact CG2-CD1 4.06Å
56G87.9Confident88.1Confident20 Ų2037.7 Ų37.721%0.20621%0.21CC..THydrogen-bonded Turntrans-79-1.6179.600000116.3M52 V53 A54 R94M52-G56 PolarHBondContact O-N 3.49Å; V53-G56 CarbonylContact O-C 3.54Å; V53-G56 VanDerWaalsContact O-CA 3.29Å; V53-G56 WeakPolarHBondContact O-CA 2.91Å; V53-G56 PolarHBondContact O-N 2.73Å; A54-G56 PolarHBondContact O-N 2.93Å; G56-R94 PolarHBondContact O-NH1 3.12Å
57L89.4Confident89.1Confident15 Ų1533 Ų338%0.07919%0.188CC..  trans-71.8142.6-179-66.1173000111.5M20 V53 A54 V55 R63 F66M20-L57 HydrophobicContact CE-CD1 4.47Å; V53-L57 PolarHBondContact O-N 3.32Å; A54-L57 WeakPolarHBondContact O-CB 3.3Å; A54-L57 WeakPolarHBondContact O-CG 3.39Å; A54-L57 PolarHBondContact O-N 3.37Å; A54-L57 VanDerWaalsContact O-N 3.12Å; V55-L57 VanDerWaalsContact C-N 3.3Å; V55-L57 PolarHBondContact O-N 3.12Å; L57-R63 HydrophobicContact CB-CB 4.28Å; L57-R63 PolarHBondContact O-NH1 2.9Å; L57-F66 HydrophobicContact CD1-CB 4.35Å; L57-F66 HydrophobicContact CD1-CD2 3.5Å; L57-F66 HydrophobicContact CD1-CE2 4.16Å; L57-F66 HydrophobicContact CD1-CG 4.21Å
58P86.6Confident89.6Confident104 Ų10438.9 Ų38.968%0.67521%0.209SC*.SBendtrans-67.2-44-179.526-32.3000111.6R63P58-R63 PolarHBondContact O-NH1 2.86Å; P58-R63 VanDerWaalsContact O-NH1 3.11Å
59D90.3Very high89.9Confident86 Ų8636.7 Ų36.746%0.4620%0.201SC..  trans-75.9123.5-173.7-64.2-51.5000112.5A61 L62 R63D59-A61 PolarHBondContact O-N 2.78Å; D59-L62 HydrophobicContact CB-CB 4.01Å; D59-L62 HydrophobicContact CB-CD1 3.98Å; D59-L62 HydrophobicContact CB-CG 4.1Å; D59-L62 PolarHBondContact O-N 2.86Å; D59-R63 WeakPolarHBondContact O-CB 3.36Å; D59-R63 PolarHBondContact O-N 3.06Å
60P88.4Confident89.9Confident76 Ų7636.6 Ų36.649%0.49420%0.2SC..Hα-helixtrans-65.2-40-178.524.8-32.9000113R63 A64P60-R63 PolarHBondContact O-N 2.9Å; P60-A64 WeakPolarHBondContact O-CB 3.25Å; P60-A64 PolarHBondContact O-N 3.22Å
61A89.4Confident89.9Confident62 Ų6236.9 Ų36.951%0.51220%0.202SC..Hα-helixtrans-66.1-42.718000000111.9D59 R65D59-A61 PolarHBondContact O-N 2.78Å; A61-R65 WeakPolarHBondContact O-CB 3.42Å; A61-R65 VanDerWaalsContact O-CG 3.22Å; A61-R65 WeakPolarHBondContact O-CG 3.17Å; A61-R65 PolarHBondContact O-N 3.48Å
62L90.3Very high89.8Confident42 Ų4243.4 Ų43.422%0.2223%0.233CC..Hα-helixtrans-70.1-44177.3-67.3177000111V25 D59 A64 R65 F66V25-L62 HydrophobicContact CG2-CD2 4.08Å; D59-L62 HydrophobicContact CB-CB 4.01Å; D59-L62 HydrophobicContact CB-CD1 3.98Å; D59-L62 HydrophobicContact CB-CG 4.1Å; D59-L62 PolarHBondContact O-N 2.86Å; L62-A64 PolarHBondContact O-N 3.03Å; L62-R65 PolarHBondContact O-N 2.92Å; L62-R65 VanDerWaalsContact O-N 3.16Å; L62-F66 HydrophobicContact CB-CD2 4.26Å; L62-F66 HydrophobicContact CB-CE2 4.29Å; L62-F66 HydrophobicContact CD2-CE2 4.42Å; L62-F66 WeakPolarHBondContact O-CD2 3.4Å; L62-F66 PolarHBondContact O-N 3.15Å
63R92.7Very high89.5Confident11 Ų1145.7 Ų45.74%0.04224%0.243CC..Hα-helixtrans-53.7-53.6176.2177168.262.7-115.64.9111.7A54 V55 L57 P58 D59 P60 R65 F66 V67 H96 D98 A99A54-R63 WeakPolarHBondContact O-CG 3.35Å; V55-R63 VanDerWaalsContact O-CD 3.23Å; V55-R63 WeakPolarHBondContact O-CD 3.42Å; L57-R63 HydrophobicContact CB-CB 4.28Å; L57-R63 PolarHBondContact O-NH1 2.9Å; P58-R63 PolarHBondContact O-NH1 2.86Å; P58-R63 VanDerWaalsContact O-NH1 3.11Å; D59-R63 WeakPolarHBondContact O-CB 3.36Å; D59-R63 PolarHBondContact O-N 3.06Å; P60-R63 PolarHBondContact O-N 2.9Å; R63-R65 VanDerWaalsContact C-N 3.3Å; R63-R65 PolarHBondContact O-N 3.14Å; R63-F66 PolarHBondContact O-N 2.83Å; R63-V67 HydrophobicContact CG-CG2 4.27Å; R63-V67 WeakPolarHBondContact O-CB 3.47Å; R63-V67 WeakPolarHBondContact O-CG2 3.29Å; R63-V67 PolarHBondContact O-N 3.38Å; R63-H96 VanDerWaalsContact CZ-CG 3.48Å; R63-D98 IonicContact CZ-OD1 3.55Å; R63-D98 IonicContact CZ-OD2 3.37Å; R63-D98 IonicContact NE-OD1 3.32Å; R63-D98 PolarHBondContact NE-OD1 3.05Å; R63-D98 IonicContact NE-OD2 2.88Å; R63-D98 PolarHBondContact NE-OD2 3.41Å; R63-D98 IonicContact NH2-OD1 2.86Å; R63-D98 PolarHBondContact NH2-OD1 3.36Å; R63-D98 IonicContact NH2-OD2 3.12Å; R63-D98 PolarHBondContact NH2-OD2 3.01Å; R63-D98 VanDerWaalsContact NH2-OD2 3.12Å; R63-A99 HydrophobicContact CG-CB 4.26Å
64A91.3Very high89.2Confident23 Ų2347 Ų4719%0.1926%0.262CS..Hα-helixtrans-59.7-40.1178.600000112.4P60 L62 R68 L102P60-A64 WeakPolarHBondContact O-CB 3.25Å; P60-A64 PolarHBondContact O-N 3.22Å; L62-A64 PolarHBondContact O-N 3.03Å; A64-R68 WeakPolarHBondContact O-CB 3.31Å; A64-R68 VanDerWaalsContact O-CG 3.27Å; A64-R68 WeakPolarHBondContact O-CG 3.37Å; A64-R68 PolarHBondContact O-N 2.99Å; A64-L102 HydrophobicContact CB-CD1 4.03Å
65R91.6Very high88.9Confident155 Ų15547.4 Ų47.459%0.58527%0.266SS*.Hα-helixtrans-63.9-48.4176.9-74.8174.6179.6-162.60.3112.2A61 L62 R63 L69A61-R65 WeakPolarHBondContact O-CB 3.42Å; A61-R65 VanDerWaalsContact O-CG 3.22Å; A61-R65 WeakPolarHBondContact O-CG 3.17Å; A61-R65 PolarHBondContact O-N 3.48Å; L62-R65 PolarHBondContact O-N 2.92Å; L62-R65 VanDerWaalsContact O-N 3.16Å; R63-R65 VanDerWaalsContact C-N 3.3Å; R63-R65 PolarHBondContact O-N 3.14Å; R65-L69 VanDerWaalsContact O-CB 3.25Å; R65-L69 WeakPolarHBondContact O-CB 3.24Å; R65-L69 PolarHBondContact O-N 3.27Å
66F90.3Very high88.6Confident0 Ų049.1 Ų49.10%028%0.28CS..Hα-helixtrans-69.1-40.1-180-78.4-66.1000112.8M20 V25 A28 A54 L57 L62 R63 L69 L70M20-F66 HydrophobicContact CB-CD1 4.48Å; M20-F66 HydrophobicContact CB-CE1 4.24Å; M20-F66 HydrophobicContact CB-CZ 4.28Å; M20-F66 HydrophobicContact CE-CB 4.17Å; M20-F66 HydrophobicContact CE-CD1 4.4Å; M20-F66 HydrophobicContact CE-CG 4.28Å; M20-F66 HydrophobicContact CG-CD1 3.74Å; M20-F66 HydrophobicContact CG-CE1 3.69Å; M20-F66 HydrophobicContact CG-CG 4.31Å; M20-F66 HydrophobicContact CG-CZ 4.23Å; V25-F66 HydrophobicContact CB-CZ 4.34Å; V25-F66 HydrophobicContact CG2-CE1 4.31Å; V25-F66 HydrophobicContact CG2-CE2 3.97Å; V25-F66 HydrophobicContact CG2-CZ 3.77Å; A28-F66 HydrophobicContact CB-CD1 4.38Å; A28-F66 HydrophobicContact CB-CE1 3.51Å; A28-F66 HydrophobicContact CB-CZ 4.37Å; A54-F66 HydrophobicContact CB-CB 3.95Å; L57-F66 HydrophobicContact CD1-CB 4.35Å; L57-F66 HydrophobicContact CD1-CD2 3.5Å; L57-F66 HydrophobicContact CD1-CE2 4.16Å; L57-F66 HydrophobicContact CD1-CG 4.21Å; L62-F66 HydrophobicContact CB-CD2 4.26Å; L62-F66 HydrophobicContact CB-CE2 4.29Å; L62-F66 HydrophobicContact CD2-CE2 4.42Å; L62-F66 WeakPolarHBondContact O-CD2 3.4Å; L62-F66 PolarHBondContact O-N 3.15Å; R63-F66 PolarHBondContact O-N 2.83Å; F66-L69 PolarHBondContact O-N 2.98Å; F66-L70 WeakPolarHBondContact O-CB 3.34Å; F66-L70 WeakPolarHBondContact O-CG 3.46Å; F66-L70 PolarHBondContact O-N 3.02Å
67V91.6Very high88.5Confident0 Ų048.9 Ų48.90%028%0.275CS..Hα-helixtrans-61.2-48175.1170.70000110.1L51 A54 V55 R63 L69 L70 L71 L102 L103L51-V67 HydrophobicContact CD1-CG1 4.2Å; A54-V67 HydrophobicContact CB-CG2 3.81Å; V55-V67 HydrophobicContact CG2-CG2 3.97Å; R63-V67 HydrophobicContact CG-CG2 4.27Å; R63-V67 WeakPolarHBondContact O-CB 3.47Å; R63-V67 WeakPolarHBondContact O-CG2 3.29Å; R63-V67 PolarHBondContact O-N 3.38Å; V67-L69 PolarHBondContact O-N 2.86Å; V67-L70 PolarHBondContact O-N 2.95Å; V67-L71 HydrophobicContact CG1-CD1 3.6Å; V67-L71 HydrophobicContact CG1-CG 4.37Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 WeakPolarHBondContact O-CD1 3.45Å; V67-L71 WeakPolarHBondContact O-CG 3.38Å; V67-L71 PolarHBondContact O-N 3.37Å; V67-L102 HydrophobicContact CB-CD1 4.26Å; V67-L102 HydrophobicContact CG1-CB 3.95Å; V67-L102 HydrophobicContact CG1-CD1 4.03Å; V67-L103 HydrophobicContact CG1-CD2 4.42Å; V67-L103 HydrophobicContact CG1-CG 4.5Å
68R91.4Very high88.3Confident129 Ų12952.1 Ų52.149%0.48729%0.292SS..Hα-helixtrans-58.3-49.9174.9-77.8178.8-174.6-142-0.7112.2A64 L70 L71 E72 L102A64-R68 WeakPolarHBondContact O-CB 3.31Å; A64-R68 VanDerWaalsContact O-CG 3.27Å; A64-R68 WeakPolarHBondContact O-CG 3.37Å; A64-R68 PolarHBondContact O-N 2.99Å; R68-L70 VanDerWaalsContact C-N 3.33Å; R68-L70 PolarHBondContact O-N 3.16Å; R68-L71 PolarHBondContact O-N 3.28Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 VanDerWaalsContact O-CG 3.3Å; R68-E72 WeakPolarHBondContact O-CG 3.26Å; R68-E72 PolarHBondContact O-N 3.44Å; R68-L102 HydrophobicContact CG-CD1 3.76Å; R68-L102 HydrophobicContact CG-CD2 3.7Å; R68-L102 HydrophobicContact CG-CG 4.32Å; R68-L102 VanDerWaalsContact NE-CD2 3.26Å
69L89.5Confident88.3Confident14 Ų1449.3 Ų49.37%0.07327%0.271CS..Hα-helixtrans-57.1-48.2-178.1-168.3167.8000110.9V25 R29 L32 R65 F66 V67 L71 E72 Q73V25-L69 HydrophobicContact CG1-CD1 3.94Å; R29-L69 HydrophobicContact CB-CD1 3.96Å; R29-L69 HydrophobicContact CG-CD1 4.4Å; L32-L69 HydrophobicContact CD1-CD2 3.14Å; R65-L69 VanDerWaalsContact O-CB 3.25Å; R65-L69 WeakPolarHBondContact O-CB 3.24Å; R65-L69 PolarHBondContact O-N 3.27Å; F66-L69 PolarHBondContact O-N 2.98Å; V67-L69 PolarHBondContact O-N 2.86Å; L69-L71 PolarHBondContact O-N 2.89Å; L69-E72 PolarHBondContact O-N 3.45Å; L69-Q73 HydrophobicContact CD2-CG 4.13Å; L69-Q73 WeakPolarHBondContact O-CB 3.28Å; L69-Q73 WeakPolarHBondContact O-CG 3.36Å; L69-Q73 PolarHBondContact O-N 3.19Å; L69-Q73 VanDerWaalsContact O-N 3.09Å
70L88.9Confident88.2Confident0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-64.1-41.2178.7-74.7166.5000112.4F16 M20 L32 I40 P50 L51 A54 F66 V67 R68 Q73 G74 A75F16-L70 HydrophobicContact CE1-CD1 4.46Å; F16-L70 HydrophobicContact CE1-CD2 3.85Å; F16-L70 HydrophobicContact CZ-CD1 4.5Å; F16-L70 HydrophobicContact CZ-CD2 3.69Å; F16-L70 HydrophobicContact CZ-CG 4.25Å; M20-L70 HydrophobicContact CE-CD1 4.21Å; L32-L70 HydrophobicContact CD1-CD2 4.09Å; I40-L70 HydrophobicContact CG2-CD2 4.34Å; P50-L70 HydrophobicContact CB-CD1 4.2Å; P50-L70 HydrophobicContact CB-CD2 4.23Å; L51-L70 HydrophobicContact CB-CD1 4.41Å; L51-L70 HydrophobicContact CD1-CB 4.05Å; L51-L70 HydrophobicContact CD1-CD1 4.43Å; A54-L70 HydrophobicContact CB-CD1 3.91Å; F66-L70 WeakPolarHBondContact O-CB 3.34Å; F66-L70 WeakPolarHBondContact O-CG 3.46Å; F66-L70 PolarHBondContact O-N 3.02Å; V67-L70 PolarHBondContact O-N 2.95Å; R68-L70 VanDerWaalsContact C-N 3.33Å; R68-L70 PolarHBondContact O-N 3.16Å; L70-Q73 PolarHBondContact O-N 3.21Å; L70-G74 PolarHBondContact O-N 3.19Å; L70-A75 HydrophobicContact CB-CB 4.17Å; L70-A75 WeakPolarHBondContact O-CB 3.4Å; L70-A75 PolarHBondContact O-N 3.16Å
71L88.6Confident88.2Confident7 Ų748 Ų484%0.03725%0.25CS..Hα-helixtrans-67.5-40.8178.4-68.6170.6000112.4L51 V67 R68 L69 Q73 G74 V77 L102 L103 F106L51-L71 HydrophobicContact CD1-CD2 4.1Å; L51-L71 HydrophobicContact CD1-CG 4.03Å; L51-L71 HydrophobicContact CD2-CD2 4.05Å; V67-L71 HydrophobicContact CG1-CD1 3.6Å; V67-L71 HydrophobicContact CG1-CG 4.37Å; V67-L71 WeakPolarHBondContact O-CB 3.48Å; V67-L71 WeakPolarHBondContact O-CD1 3.45Å; V67-L71 WeakPolarHBondContact O-CG 3.38Å; V67-L71 PolarHBondContact O-N 3.37Å; R68-L71 PolarHBondContact O-N 3.28Å; L69-L71 PolarHBondContact O-N 2.89Å; L71-Q73 PolarHBondContact O-N 3.46Å; L71-G74 PolarHBondContact O-N 3.39Å; L71-V77 HydrophobicContact CD2-CG2 3.51Å; L71-L102 HydrophobicContact CD1-CB 4.39Å; L71-L103 HydrophobicContact CD1-CD2 4.38Å; L71-F106 HydrophobicContact CB-CD1 3.78Å; L71-F106 HydrophobicContact CB-CD2 4Å; L71-F106 HydrophobicContact CB-CE1 3.77Å; L71-F106 HydrophobicContact CB-CE2 3.98Å; L71-F106 HydrophobicContact CB-CG 3.89Å; L71-F106 HydrophobicContact CB-CZ 3.86Å; L71-F106 HydrophobicContact CD1-CB 4.15Å; L71-F106 HydrophobicContact CD1-CD2 3.57Å; L71-F106 HydrophobicContact CD1-CE2 4.06Å; L71-F106 HydrophobicContact CD1-CG 3.88Å; L71-F106 HydrophobicContact CD2-CB 3.99Å; L71-F106 HydrophobicContact CD2-CD1 4.49Å; L71-F106 HydrophobicContact CD2-CG 4.17Å; L71-F106 HydrophobicContact CG-CB 4.48Å; L71-F106 HydrophobicContact CG-CD2 4.29Å; L71-F106 HydrophobicContact CG-CG 4.2Å
72E87.7Confident88.1Confident138 Ų13852 Ų5265%0.64526%0.259SS*.Hα-helixtrans-62.9-32.3174.7-74.8169.8-170.800112.1R68 L69 G74 F106R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 VanDerWaalsContact O-CG 3.3Å; R68-E72 WeakPolarHBondContact O-CG 3.26Å; R68-E72 PolarHBondContact O-N 3.44Å; L69-E72 PolarHBondContact O-N 3.45Å; E72-G74 PolarHBondContact O-N 2.88Å; E72-F106 HydrophobicContact CG-CZ 4.48Å
73Q84.4Confident87.8Confident49 Ų4956.5 Ų56.523%0.22927%0.273CS..THydrogen-bonded Turntrans-79.9-1.7175.9-66.2-71.3-3.100113.4L32 D33 I40 L69 L70 L71L32-Q73 HydrophobicContact CD1-CG 4.48Å; D33-Q73 PolarHBondContact OD1-NE2 2.88Å; I40-Q73 HydrophobicContact CD1-CB 3.73Å; I40-Q73 VanDerWaalsContact CD1-O 3.26Å; I40-Q73 WeakPolarHBondContact CD1-O 3.28Å; L69-Q73 HydrophobicContact CD2-CG 4.13Å; L69-Q73 WeakPolarHBondContact O-CB 3.28Å; L69-Q73 WeakPolarHBondContact O-CG 3.36Å; L69-Q73 PolarHBondContact O-N 3.19Å; L69-Q73 VanDerWaalsContact O-N 3.09Å; L70-Q73 PolarHBondContact O-N 3.21Å; L71-Q73 PolarHBondContact O-N 3.46Å
74G82.3Confident87.5Confident56 Ų5656.6 Ų56.658%0.57728%0.277SS*.THydrogen-bonded Turntrans93.925.1174.500000115L70 L71 E72L70-G74 PolarHBondContact O-N 3.19Å; L71-G74 PolarHBondContact O-N 3.39Å; E72-G74 PolarHBondContact O-N 2.88Å
75A84.4Confident87.4Confident8 Ų855.8 Ų55.87%0.06627%0.269CS..  trans-58136.4176.400000112.8I40 L51 L70 V77I40-A75 HydrophobicContact CG2-CB 3.33Å; L51-A75 HydrophobicContact CD2-CB 4.44Å; L70-A75 HydrophobicContact CB-CB 4.17Å; L70-A75 WeakPolarHBondContact O-CB 3.4Å; L70-A75 PolarHBondContact O-N 3.16Å; A75-V77 PolarHBondContact O-N 3.4Å
76A84.8Confident87.4Confident36 Ų3648.5 Ų48.530%0.29824%0.242SC..  trans-75.2109.6176.400000111.1D41 N78 L79D41-A76 PolarHBondContact OD1-N 3.36Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.66Å; A76-L79 HydrophobicContact CB-CD1 3.72Å; A76-L79 HydrophobicContact CB-CD2 4.35Å; A76-L79 HydrophobicContact CB-CG 3.66Å
77V85.1Confident87.5Confident16 Ų1648.6 Ų48.610%0.09724%0.242CC..THydrogen-bonded Turntrans-67.3-31.3-174.3-163.90000113.3L51 L71 A75 L103 F106L51-V77 HydrophobicContact CD2-CG1 4.47Å; L71-V77 HydrophobicContact CD2-CG2 3.51Å; A75-V77 PolarHBondContact O-N 3.4Å; V77-L103 HydrophobicContact CG1-CB 4.47Å; V77-L103 HydrophobicContact CG1-CD2 3.71Å; V77-F106 HydrophobicContact CG2-CB 4.24Å
78N84.5Confident87.5Confident82 Ų8248.7 Ų48.744%0.43924%0.243SC..THydrogen-bonded Turntrans-96.511.8-170.9-62.8-36.1000113.6A76 D109A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.66Å; N78-D109 WeakPolarHBondContact OD1-CB 3.45Å; N78-D109 PolarHBondContact OD1-N 3.35Å
79L86.8Confident87.5Confident46 Ų4642.6 Ų42.624%0.24122%0.22CC..  trans-62.9150.7171.6-69.3177.1000110.5D41 T49 M52 A76 T86D41-L79 HydrophobicContact CB-CD1 3.75Å; D41-L79 WeakPolarHBondContact OD1-CD1 3.14Å; T49-L79 HydrophobicContact CG2-CB 3.8Å; T49-L79 HydrophobicContact CG2-CD1 3.54Å; T49-L79 HydrophobicContact CG2-CG 4.31Å; M52-L79 VanDerWaalsContact CE-C 3.49Å; M52-L79 HydrophobicContact CE-CB 4.48Å; M52-L79 WeakPolarHBondContact CE-O 3.47Å; A76-L79 HydrophobicContact CB-CD1 3.72Å; A76-L79 HydrophobicContact CB-CD2 4.35Å; A76-L79 HydrophobicContact CB-CG 3.66Å; L79-T86 WeakPolarHBondContact O-CA 3.45Å
80R88.8Confident87.6Confident123 Ų12342.1 Ų42.146%0.46422%0.218SC..  trans-116.3138.4-176.2-62.8-176.2-179.9-155.9-3.4110.8R85 T86 A113R80-R85 CarbonylContact C-O 3.59Å; R80-R85 WeakPolarHBondContact CA-O 3.27Å; R80-T86 HydrophobicContact CG-CG2 4.16Å; R80-A113 PolarHBondContact NH1-O 2.95Å
81D88.5Confident87.8Confident11 Ų1142.1 Ų42.16%0.05922%0.218CC..  trans-75179.3170.777.9-3.2000111.1R48 M52 R83 G84 R85R48-D81 HydrophobicContact CG-CB 4.16Å; M52-D81 HydrophobicContact CE-CB 4.41Å; M52-D81 HydrophobicContact SD-CB 3.86Å; D81-R83 PolarHBondContact O-N 2.92Å; D81-R83 VanDerWaalsContact O-N 3.14Å; D81-R83 VanDerWaalsContact OD1-CA 3.24Å; D81-R83 WeakPolarHBondContact OD1-CA 3.36Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 PolarHBondContact OD1-N 3.43Å; D81-G84 WeakPolarHBondContact O-CA 3.33Å; D81-G84 PolarHBondContact O-N 3.33Å; D81-G84 PolarHBondContact OD1-N 3.06Å; D81-R85 PolarHBondContact N-O 3.2Å; D81-R85 VanDerWaalsContact OD1-CB 3.31Å; D81-R85 WeakPolarHBondContact OD1-CB 3.25Å; D81-R85 PolarHBondContact OD1-N 3.15Å; D81-R85 IonicContact OD1-NE 3.92Å; D81-R85 IonicContact OD2-CZ 2.81Å; D81-R85 IonicContact OD2-NE 3.5Å; D81-R85 PolarHBondContact OD2-NE 3.5Å; D81-R85 IonicContact OD2-NH2 3.69Å; D81-R85 PolarHBondContact OD2-NH2 3.39Å
82E86.4Confident88Confident146 Ų14641.8 Ų41.868%0.68222%0.216SC*.THydrogen-bonded Turntrans-59.2-22.8176.6-75.3169.8-16800113.7Q46 G47 G84Q46-E82 VanDerWaalsContact CA-CD 3.44Å; Q46-E82 WeakPolarHBondContact CA-OE1 3.21Å; Q46-E82 WeakPolarHBondContact CA-OE2 3.37Å; Q46-E82 WeakPolarHBondContact O-CG 3.21Å; Q46-E82 PolarHBondContact O-N 2.94Å; G47-E82 PolarHBondContact N-OE1 3.38Å; G47-E82 VanDerWaalsContact N-OE1 3.17Å; E82-G84 VanDerWaalsContact C-N 3.3Å
83R85.1Confident88.2Confident137 Ų13737.9 Ų37.952%0.51720%0.197SC..THydrogen-bonded Turntrans-929.1175.3-56.4-18073.2-175.13.9111.8D81 R85 S115D81-R83 PolarHBondContact O-N 2.92Å; D81-R83 VanDerWaalsContact O-N 3.14Å; D81-R83 VanDerWaalsContact OD1-CA 3.24Å; D81-R83 WeakPolarHBondContact OD1-CA 3.36Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 PolarHBondContact OD1-N 3.43Å; R83-R85 HydrophobicContact CB-CG 4.21Å; R83-R85 PolarHBondContact O-N 2.67Å; R83-S115 WeakPolarHBondContact O-CB 3.34Å; R83-S115 PolarHBondContact O-N 2.96Å; R83-S115 PolarHBondContact O-OG 3.45Å
84G86.7Confident88.4Confident13 Ų1340.3 Ų40.313%0.13421%0.205CC..SBendtrans73.17.5-178.500000114.5D81 E82D81-G84 WeakPolarHBondContact O-CA 3.33Å; D81-G84 PolarHBondContact O-N 3.33Å; D81-G84 PolarHBondContact OD1-N 3.06Å; E82-G84 VanDerWaalsContact C-N 3.3Å
85R88.6Confident88.8Confident6 Ų638.7 Ų38.72%0.02319%0.188CC..  trans-82.5139.6-176-66.2-177.6-58.1169.26.1111M52 R80 D81 R83 S89 E93 D114M52-R85 VanDerWaalsContact CE-O 3.29Å; M52-R85 WeakPolarHBondContact CE-O 3.5Å; R80-R85 CarbonylContact C-O 3.59Å; R80-R85 WeakPolarHBondContact CA-O 3.27Å; D81-R85 PolarHBondContact N-O 3.2Å; D81-R85 VanDerWaalsContact OD1-CB 3.31Å; D81-R85 WeakPolarHBondContact OD1-CB 3.25Å; D81-R85 PolarHBondContact OD1-N 3.15Å; D81-R85 IonicContact OD1-NE 3.92Å; D81-R85 IonicContact OD2-CZ 2.81Å; D81-R85 IonicContact OD2-NE 3.5Å; D81-R85 PolarHBondContact OD2-NE 3.5Å; D81-R85 IonicContact OD2-NH2 3.69Å; D81-R85 PolarHBondContact OD2-NH2 3.39Å; R83-R85 HydrophobicContact CB-CG 4.21Å; R83-R85 PolarHBondContact O-N 2.67Å; R85-S89 WeakPolarHBondContact CA-OG 3.26Å; R85-S89 VanDerWaalsContact CB-OG 3.24Å; R85-S89 WeakPolarHBondContact CB-OG 3.31Å; R85-E93 IonicContact CZ-OE2 3.87Å; R85-E93 IonicContact NH1-OE1 2.86Å; R85-E93 IonicContact NH1-OE2 3.39Å; R85-E93 PolarHBondContact NH1-OE2 2.93Å; R85-D114 HydrophobicContact CG-CB 3.73Å
86T91.5Very high89.2Confident2 Ų239.8 Ų39.81%0.01219%0.191CC..  trans-91165.2173.160.80000111.8L79 R80 L88 S89 L90 A112L79-T86 WeakPolarHBondContact O-CA 3.45Å; R80-T86 HydrophobicContact CG-CG2 4.16Å; T86-L88 PolarHBondContact O-N 3.44Å; T86-S89 PolarHBondContact N-OG 3.05Å; T86-S89 PolarHBondContact O-N 2.96Å; T86-S89 PolarHBondContact O-OG 2.99Å; T86-S89 PolarHBondContact OG1-N 3.08Å; T86-L90 PolarHBondContact O-N 2.87Å; T86-L90 VanDerWaalsContact O-N 3.15Å; T86-A112 HydrophobicContact CG2-CB 3.54Å
87A91.5Very high89.6Confident1 Ų140.8 Ų40.81%0.00819%0.191CC..Hα-helixtrans-54.6-36.3173.700000112.3L51 M52 V55 L90 A91 L103L51-A87 HydrophobicContact CD2-CB 3.94Å; L51-A87 HydrophobicContact CG-CB 4.04Å; M52-A87 HydrophobicContact CG-CB 4.1Å; V55-A87 HydrophobicContact CG2-CB 4.4Å; A87-L90 PolarHBondContact O-N 3.31Å; A87-A91 PolarHBondContact O-N 2.86Å; A87-L103 HydrophobicContact CB-CD1 4.21Å; A87-L103 HydrophobicContact CB-CD2 4.05Å
88L92.6Very high89.9Confident2 Ų241.8 Ų41.81%0.0120%0.196CC..Hα-helixtrans-66-42.4176.4-171.468.8000112.1T86 L90 A91 C92 V100 L103 V104 P110 P120T86-L88 PolarHBondContact O-N 3.44Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 3.35Å; L88-A91 PolarHBondContact O-N 3.25Å; L88-C92 PolarHBondContact O-N 2.97Å; L88-C92 PolarHBondContact O-SG 2.91Å; L88-V100 HydrophobicContact CD1-CB 4.5Å; L88-V100 HydrophobicContact CD1-CG1 4.07Å; L88-V100 HydrophobicContact CD1-CG2 4.44Å; L88-L103 HydrophobicContact CB-CD1 4.41Å; L88-L103 HydrophobicContact CD1-CB 3.89Å; L88-L103 HydrophobicContact CD1-CD1 4.25Å; L88-V104 HydrophobicContact CD1-CG2 4.15Å; L88-P110 HydrophobicContact CD2-CB 4.17Å; L88-P120 HydrophobicContact CD2-CB 4.26Å; L88-P120 HydrophobicContact CD2-CG 4.17Å; L88-P120 HydrophobicContact CG-CB 4.16Å; L88-P120 HydrophobicContact CG-CG 4.32Å
89S91.6Very high90.3Very high1 Ų137.9 Ų37.91%0.00718%0.175CC..Hα-helixtrans-62.8-39.1177670000112.6R85 T86 C92 E93R85-S89 WeakPolarHBondContact CA-OG 3.26Å; R85-S89 VanDerWaalsContact CB-OG 3.24Å; R85-S89 WeakPolarHBondContact CB-OG 3.31Å; T86-S89 PolarHBondContact N-OG 3.05Å; T86-S89 PolarHBondContact O-N 2.96Å; T86-S89 PolarHBondContact O-OG 2.99Å; T86-S89 PolarHBondContact OG1-N 3.08Å; S89-C92 PolarHBondContact O-N 2.82Å; S89-E93 WeakPolarHBondContact O-CB 3.31Å; S89-E93 PolarHBondContact O-N 3.11Å
90L91.4Very high90.6Very high5 Ų535.7 Ų35.73%0.02616%0.164CC..Hα-helixtrans-65.8-39.2175.2-65.6173.9000112M52 V55 T86 A87 L88 C92 E93 R94M52-L90 HydrophobicContact CB-CD1 3.6Å; M52-L90 HydrophobicContact CG-CD1 3.76Å; M52-L90 HydrophobicContact SD-CD1 4.32Å; V55-L90 HydrophobicContact CG1-CB 4.2Å; T86-L90 PolarHBondContact O-N 2.87Å; T86-L90 VanDerWaalsContact O-N 3.15Å; A87-L90 PolarHBondContact O-N 3.31Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L90 PolarHBondContact O-N 3.35Å; L90-C92 VanDerWaalsContact C-N 3.3Å; L90-E93 PolarHBondContact O-N 3.46Å; L90-R94 WeakPolarHBondContact O-CG 3.44Å; L90-R94 PolarHBondContact O-N 2.82Å; L90-R94 VanDerWaalsContact O-N 3.17Å
91A92.7Very high90.7Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-65-37.9176.100000111.2V55 A87 L88 G95 H96 A99 V100 L103V55-A91 HydrophobicContact CG1-CB 3.58Å; A87-A91 PolarHBondContact O-N 2.86Å; L88-A91 PolarHBondContact O-N 3.25Å; A91-G95 PolarHBondContact O-N 3.21Å; A91-H96 PolarHBondContact O-N 2.77Å; A91-A99 HydrophobicContact CB-CB 4.08Å; A91-V100 HydrophobicContact CB-CG2 3.61Å; A91-L103 HydrophobicContact CB-CD1 4.02Å
92C92.1Very high90.9Very high0 Ų033.3 Ų33.30%016%0.158CC..Hα-helixtrans-70.6-41.8177-65.60000112.7L88 S89 L90 R94 G95 P120 W123 A124 H129L88-C92 PolarHBondContact O-N 2.97Å; L88-C92 PolarHBondContact O-SG 2.91Å; S89-C92 PolarHBondContact O-N 2.82Å; L90-C92 VanDerWaalsContact C-N 3.3Å; C92-R94 PolarHBondContact O-N 3.25Å; C92-G95 PolarHBondContact O-N 3.2Å; C92-P120 HydrophobicContact CB-CB 4.35Å; C92-P120 WeakPolarHBondContact CB-O 3.45Å; C92-W123 HydrophobicContact CB-CB 4.33Å; C92-A124 HydrophobicContact CB-CB 4.06Å; C92-H129 PolarHBondContact O-CD2 2.9Å
93E91.6Very high91.1Very high55 Ų5526.3 Ų26.326%0.25713%0.125SC..Hα-helixtrans-58.1-39.9175.1-176.8-177164.800111.2R85 S89 L90 W123 C127 H129R85-E93 IonicContact CZ-OE2 3.87Å; R85-E93 IonicContact NH1-OE1 2.86Å; R85-E93 IonicContact NH1-OE2 3.39Å; R85-E93 PolarHBondContact NH1-OE2 2.93Å; S89-E93 WeakPolarHBondContact O-CB 3.31Å; S89-E93 PolarHBondContact O-N 3.11Å; L90-E93 PolarHBondContact O-N 3.46Å; E93-W123 HydrophobicContact CB-CB 4.35Å; E93-W123 HydrophobicContact CB-CD2 4.38Å; E93-W123 HydrophobicContact CB-CE3 4.2Å; E93-W123 HydrophobicContact CB-CG 4.48Å; E93-W123 HydrophobicContact CG-CD2 4.4Å; E93-W123 HydrophobicContact CG-CE3 3.82Å; E93-W123 HydrophobicContact CG-CZ3 4.15Å; E93-C127 PolarHBondContact O-SG 3.03Å; E93-C127 VanDerWaalsContact O-SG 3.4Å; E93-H129 PolarHBondContact O-NE2 2.74Å; E93-H129 VanDerWaalsContact O-NE2 3.1Å
94R90.1Very high91.2Very high101 Ų10121 Ų2138%0.38111%0.108SC..Hα-helixtrans-89.5-10-178.2-63.7178.5174.6-136.17.1114.9G56 L90 C92 H96G56-R94 PolarHBondContact O-NH1 3.12Å; L90-R94 WeakPolarHBondContact O-CG 3.44Å; L90-R94 PolarHBondContact O-N 2.82Å; L90-R94 VanDerWaalsContact O-N 3.17Å; C92-R94 PolarHBondContact O-N 3.25Å; R94-H96 VanDerWaalsContact C-N 3.33Å; R94-H96 WeakPolarHBondContact CB-NE2 3.24Å; R94-H96 WeakPolarHBondContact CD-NE2 3.39Å; R94-H96 PolarHBondContact O-N 3.3Å
95G90.6Very high91.3Very high21 Ų2126.7 Ų26.722%0.21613%0.131CC..THydrogen-bonded Turntrans7322-178.700000114.6A91 C92 L97 H129A91-G95 PolarHBondContact O-N 3.21Å; C92-G95 PolarHBondContact O-N 3.2Å; G95-L97 PolarHBondContact O-N 3.41Å; G95-H129 VanDerWaalsContact CA-CD2 3.4Å; G95-H129 WeakPolarHBondContact CA-CD2 3.37Å; G95-H129 WeakPolarHBondContact CA-ND1 3.45Å; G95-H129 PolarHBondContact N-CD2 3.39Å; G95-H129 VanDerWaalsContact N-CD2 3.35Å; G95-H129 PolarHBondContact N-NE2 3.5Å
96H93Very high91.2Very high32 Ų3230.2 Ų30.215%0.14815%0.147CC..  trans-8080.5-177.4-64.6-24.3000111.3V55 R63 A91 R94 D98 A99 V100V55-H96 PolarHBondContact O-CD2 2.81Å; R63-H96 VanDerWaalsContact CZ-CG 3.48Å; A91-H96 PolarHBondContact O-N 2.77Å; R94-H96 VanDerWaalsContact C-N 3.33Å; R94-H96 WeakPolarHBondContact CB-NE2 3.24Å; R94-H96 WeakPolarHBondContact CD-NE2 3.39Å; R94-H96 PolarHBondContact O-N 3.3Å; H96-D98 PolarHBondContact O-N 3.23Å; H96-A99 HydrophobicContact CB-CB 4.03Å; H96-A99 PolarHBondContact O-N 3.33Å; H96-V100 WeakPolarHBondContact O-CG2 3.35Å; H96-V100 PolarHBondContact O-N 3.13Å
97L91.8Very high90.8Very high56 Ų5634.8 Ų34.829%0.29318%0.179SC..Hα-helixtrans-53.9-39.5-178-179.164.9000112.8G95 A99 V100 Q101 V132 F135G95-L97 PolarHBondContact O-N 3.41Å; L97-A99 PolarHBondContact O-N 2.78Å; L97-V100 PolarHBondContact O-N 3.15Å; L97-Q101 HydrophobicContact CD1-CG 4.39Å; L97-Q101 HydrophobicContact CG-CG 4.46Å; L97-Q101 VanDerWaalsContact O-CG 3.3Å; L97-Q101 WeakPolarHBondContact O-CG 3.4Å; L97-Q101 PolarHBondContact O-N 3.28Å; L97-V132 HydrophobicContact CB-CG2 4.12Å; L97-V132 HydrophobicContact CD1-CG2 4.23Å; L97-F135 HydrophobicContact CD1-CB 3.83Å; L97-F135 HydrophobicContact CD1-CD1 4.48Å; L97-F135 HydrophobicContact CD1-CG 4.09Å
98D92.4Very high90.4Very high38 Ų3834.9 Ų34.920%0.20318%0.179CC..Hα-helixtrans-57.5-45.917658.4-51.7000112.2R63 H96 L102R63-D98 IonicContact CZ-OD1 3.55Å; R63-D98 IonicContact CZ-OD2 3.37Å; R63-D98 IonicContact NE-OD1 3.32Å; R63-D98 PolarHBondContact NE-OD1 3.05Å; R63-D98 IonicContact NE-OD2 2.88Å; R63-D98 PolarHBondContact NE-OD2 3.41Å; R63-D98 IonicContact NH2-OD1 2.86Å; R63-D98 PolarHBondContact NH2-OD1 3.36Å; R63-D98 IonicContact NH2-OD2 3.12Å; R63-D98 PolarHBondContact NH2-OD2 3.01Å; R63-D98 VanDerWaalsContact NH2-OD2 3.12Å; H96-D98 PolarHBondContact O-N 3.23Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 2.93Å
99A92.9Very high89.8Confident0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-70.3-40177.100000111.6V55 R63 A91 H96 L97 Q101 L102 L103V55-A99 HydrophobicContact CG1-CB 4.41Å; V55-A99 HydrophobicContact CG2-CB 4.31Å; R63-A99 HydrophobicContact CG-CB 4.26Å; A91-A99 HydrophobicContact CB-CB 4.08Å; H96-A99 HydrophobicContact CB-CB 4.03Å; H96-A99 PolarHBondContact O-N 3.33Å; L97-A99 PolarHBondContact O-N 2.78Å; A99-Q101 PolarHBondContact O-N 3.32Å; A99-L102 PolarHBondContact O-N 3.31Å; A99-L103 WeakPolarHBondContact O-CB 3.18Å; A99-L103 WeakPolarHBondContact O-CG 3.29Å; A99-L103 PolarHBondContact O-N 3.41Å
100V92.4Very high89.2Confident0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-60.5-46.7177.6173.60000110.9L88 A91 H96 L97 L102 L103 V104 V132 F135 L136L88-V100 HydrophobicContact CD1-CB 4.5Å; L88-V100 HydrophobicContact CD1-CG1 4.07Å; L88-V100 HydrophobicContact CD1-CG2 4.44Å; A91-V100 HydrophobicContact CB-CG2 3.61Å; H96-V100 WeakPolarHBondContact O-CG2 3.35Å; H96-V100 PolarHBondContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 3.15Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 2.94Å; V100-L103 PolarHBondContact O-N 3.3Å; V100-V104 HydrophobicContact CG1-CG2 4.17Å; V100-V104 WeakPolarHBondContact O-CB 3.24Å; V100-V104 VanDerWaalsContact O-CG2 3.23Å; V100-V104 WeakPolarHBondContact O-CG2 3.33Å; V100-V104 PolarHBondContact O-N 3.15Å; V100-V132 HydrophobicContact CB-CG1 4.5Å; V100-V132 HydrophobicContact CG1-CG1 4.28Å; V100-V132 HydrophobicContact CG2-CG1 3.89Å; V100-F135 HydrophobicContact CG1-CD1 3.8Å; V100-F135 HydrophobicContact CG1-CE1 4.04Å; V100-L136 HydrophobicContact CG1-CD2 3.78Å; V100-L136 HydrophobicContact CG1-CG 4.18Å
101Q91.6Very high88.7Confident76 Ų7639.3 Ų39.336%0.35520%0.203SC..Hα-helixtrans-56.2-44178.6-75.1177.1-1.300112L97 A99 Q105 F135L97-Q101 HydrophobicContact CD1-CG 4.39Å; L97-Q101 HydrophobicContact CG-CG 4.46Å; L97-Q101 VanDerWaalsContact O-CG 3.3Å; L97-Q101 WeakPolarHBondContact O-CG 3.4Å; L97-Q101 PolarHBondContact O-N 3.28Å; A99-Q101 PolarHBondContact O-N 3.32Å; Q101-Q105 VanDerWaalsContact O-CG 3.28Å; Q101-Q105 WeakPolarHBondContact O-CG 3.28Å; Q101-Q105 PolarHBondContact O-N 3.04Å; Q101-Q105 VanDerWaalsContact O-N 3.15Å; Q101-F135 HydrophobicContact CB-CE1 4.41Å; Q101-F135 HydrophobicContact CB-CZ 4.12Å; Q101-F135 HydrophobicContact CG-CD1 4.32Å; Q101-F135 HydrophobicContact CG-CD2 4.13Å; Q101-F135 HydrophobicContact CG-CE1 3.91Å; Q101-F135 HydrophobicContact CG-CE2 3.71Å; Q101-F135 HydrophobicContact CG-CG 4.42Å; Q101-F135 HydrophobicContact CG-CZ 3.59Å
102L91.5Very high88.2Confident7 Ų739.6 Ų39.64%0.03721%0.205CC..Hα-helixtrans-68.2-47.5178.5-64.1170.4000111.8A64 V67 R68 L71 D98 A99 V100 V104 Q105 F106A64-L102 HydrophobicContact CB-CD1 4.03Å; V67-L102 HydrophobicContact CB-CD1 4.26Å; V67-L102 HydrophobicContact CG1-CB 3.95Å; V67-L102 HydrophobicContact CG1-CD1 4.03Å; R68-L102 HydrophobicContact CG-CD1 3.76Å; R68-L102 HydrophobicContact CG-CD2 3.7Å; R68-L102 HydrophobicContact CG-CG 4.32Å; R68-L102 VanDerWaalsContact NE-CD2 3.26Å; L71-L102 HydrophobicContact CD1-CB 4.39Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 2.93Å; A99-L102 PolarHBondContact O-N 3.31Å; V100-L102 VanDerWaalsContact C-N 3.28Å; V100-L102 PolarHBondContact O-N 2.94Å; L102-V104 VanDerWaalsContact C-N 3.26Å; L102-V104 PolarHBondContact O-N 2.94Å; L102-Q105 WeakPolarHBondContact O-CB 3.45Å; L102-Q105 PolarHBondContact O-N 3.19Å; L102-Q105 VanDerWaalsContact O-N 3.13Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.42Å; L102-F106 VanDerWaalsContact O-N 3.16Å
103L90.7Very high87.9Confident0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-61.9-35.9-179.8-67.9167000111.9L51 V55 V67 L71 V77 A87 L88 A91 A99 V100 F106 G108L51-L103 HydrophobicContact CD1-CD2 4.35Å; L51-L103 HydrophobicContact CD2-CD2 4.02Å; L51-L103 HydrophobicContact CG-CD2 4.35Å; V55-L103 HydrophobicContact CG2-CD1 4.06Å; V67-L103 HydrophobicContact CG1-CD2 4.42Å; V67-L103 HydrophobicContact CG1-CG 4.5Å; L71-L103 HydrophobicContact CD1-CD2 4.38Å; V77-L103 HydrophobicContact CG1-CB 4.47Å; V77-L103 HydrophobicContact CG1-CD2 3.71Å; A87-L103 HydrophobicContact CB-CD1 4.21Å; A87-L103 HydrophobicContact CB-CD2 4.05Å; L88-L103 HydrophobicContact CB-CD1 4.41Å; L88-L103 HydrophobicContact CD1-CB 3.89Å; L88-L103 HydrophobicContact CD1-CD1 4.25Å; A91-L103 HydrophobicContact CB-CD1 4.02Å; A99-L103 WeakPolarHBondContact O-CB 3.18Å; A99-L103 WeakPolarHBondContact O-CG 3.29Å; A99-L103 PolarHBondContact O-N 3.41Å; V100-L103 PolarHBondContact O-N 3.3Å; L103-F106 CarbonylContact O-C 3.59Å; L103-F106 PolarHBondContact O-N 2.95Å; L103-G108 WeakPolarHBondContact O-CA 3.46Å; L103-G108 PolarHBondContact O-N 3.25Å
104V88.8Confident87.8Confident25 Ų2539.3 Ų39.315%0.15221%0.21CC..Hα-helixtrans-68.8-38.7175.61730000111.9L88 V100 L102 F106 S107 F135 L136 F140L88-V104 HydrophobicContact CD1-CG2 4.15Å; V100-V104 HydrophobicContact CG1-CG2 4.17Å; V100-V104 WeakPolarHBondContact O-CB 3.24Å; V100-V104 VanDerWaalsContact O-CG2 3.23Å; V100-V104 WeakPolarHBondContact O-CG2 3.33Å; V100-V104 PolarHBondContact O-N 3.15Å; L102-V104 VanDerWaalsContact C-N 3.26Å; L102-V104 PolarHBondContact O-N 2.94Å; V104-F106 PolarHBondContact O-N 3.11Å; V104-S107 PolarHBondContact O-N 3.11Å; V104-F135 HydrophobicContact CB-CE1 4.11Å; V104-F135 HydrophobicContact CG1-CE1 4.33Å; V104-F135 HydrophobicContact CG2-CE1 4.01Å; V104-L136 HydrophobicContact CG2-CD2 4.09Å; V104-F140 HydrophobicContact CB-CE2 4.34Å; V104-F140 HydrophobicContact CB-CZ 4.23Å; V104-F140 HydrophobicContact CG1-CE1 4.49Å; V104-F140 HydrophobicContact CG1-CE2 3.86Å; V104-F140 HydrophobicContact CG1-CZ 3.71Å; V104-F140 HydrophobicContact CG2-CE2 3.51Å; V104-F140 HydrophobicContact CG2-CZ 3.7Å
105Q88.3Confident87.7Confident132 Ų13237.1 Ų37.162%0.61721%0.21SC*.Hα-helixtrans-60.7-35.5175-74.7170.31400112.2Q101 L102 S107Q101-Q105 VanDerWaalsContact O-CG 3.28Å; Q101-Q105 WeakPolarHBondContact O-CG 3.28Å; Q101-Q105 PolarHBondContact O-N 3.04Å; Q101-Q105 VanDerWaalsContact O-N 3.15Å; L102-Q105 WeakPolarHBondContact O-CB 3.45Å; L102-Q105 PolarHBondContact O-N 3.19Å; L102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-S107 VanDerWaalsContact C-N 3.28Å; Q105-S107 PolarHBondContact O-N 3.44Å
106F85.8Confident87.4Confident81 Ų8138 Ų3836%0.35522%0.215SC..THydrogen-bonded Turntrans-9126.2178.2-74.4-96.8000113.5L71 E72 V77 L102 L103 V104 G108L71-F106 HydrophobicContact CB-CD1 3.78Å; L71-F106 HydrophobicContact CB-CD2 4Å; L71-F106 HydrophobicContact CB-CE1 3.77Å; L71-F106 HydrophobicContact CB-CE2 3.98Å; L71-F106 HydrophobicContact CB-CG 3.89Å; L71-F106 HydrophobicContact CB-CZ 3.86Å; L71-F106 HydrophobicContact CD1-CB 4.15Å; L71-F106 HydrophobicContact CD1-CD2 3.57Å; L71-F106 HydrophobicContact CD1-CE2 4.06Å; L71-F106 HydrophobicContact CD1-CG 3.88Å; L71-F106 HydrophobicContact CD2-CB 3.99Å; L71-F106 HydrophobicContact CD2-CD1 4.49Å; L71-F106 HydrophobicContact CD2-CG 4.17Å; L71-F106 HydrophobicContact CG-CB 4.48Å; L71-F106 HydrophobicContact CG-CD2 4.29Å; L71-F106 HydrophobicContact CG-CG 4.2Å; E72-F106 HydrophobicContact CG-CZ 4.48Å; V77-F106 HydrophobicContact CG2-CB 4.24Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.42Å; L102-F106 VanDerWaalsContact O-N 3.16Å; L103-F106 CarbonylContact O-C 3.59Å; L103-F106 PolarHBondContact O-N 2.95Å; V104-F106 PolarHBondContact O-N 3.11Å; F106-G108 PolarHBondContact O-N 2.96Å
107S83.9Confident87.2Confident98 Ų9837.3 Ų37.369%0.68522%0.218SC*.THydrogen-bonded Turntrans62.136.9175.7-57.90000115.4V104 Q105V104-S107 PolarHBondContact O-N 3.11Å; Q105-S107 VanDerWaalsContact C-N 3.28Å; Q105-S107 PolarHBondContact O-N 3.44Å
108G82.2Confident87Confident2 Ų235.7 Ų35.72%0.02121%0.209CC..  trans-62.6133.7169.800000112.2L103 F106 P110L103-G108 WeakPolarHBondContact O-CA 3.46Å; L103-G108 PolarHBondContact O-N 3.25Å; F106-G108 PolarHBondContact O-N 2.96Å; G108-P110 VanDerWaalsContact O-CD 3.28Å; G108-P110 WeakPolarHBondContact O-CD 3.29Å
109D80.9Confident86.9Confident62 Ų6234.3 Ų34.333%0.33220%0.203SC..  trans-75.9112-178.2-177.67.2000111.6N78 E111 A112N78-D109 WeakPolarHBondContact OD1-CB 3.45Å; N78-D109 PolarHBondContact OD1-N 3.35Å; D109-E111 PolarHBondContact O-N 3.28Å; D109-E111 WeakPolarHBondContact OD1-CB 3.35Å; D109-E111 PolarHBondContact OD1-N 3.28Å; D109-A112 HydrophobicContact CB-CB 4.19Å
110P78.6Confident86.7Confident12 Ų1234.3 Ų34.38%0.07820%0.203CC..THydrogen-bonded Turntrans-77.3-11.3178.838.3-42000113.4L88 G108 P120 F140 L145L88-P110 HydrophobicContact CD2-CB 4.17Å; G108-P110 VanDerWaalsContact O-CD 3.28Å; G108-P110 WeakPolarHBondContact O-CD 3.29Å; P110-P120 VanDerWaalsContact O-CD 3.29Å; P110-P120 WeakPolarHBondContact O-CD 3.23Å; P110-F140 HydrophobicContact CB-CD1 4.23Å; P110-F140 HydrophobicContact CB-CD2 3.81Å; P110-F140 HydrophobicContact CB-CE1 4.06Å; P110-F140 HydrophobicContact CB-CE2 3.61Å; P110-F140 HydrophobicContact CB-CG 4.11Å; P110-F140 HydrophobicContact CB-CZ 3.74Å; P110-F140 VanDerWaalsContact CD-CE1 3.49Å; P110-F140 HydrophobicContact CG-CD1 3.48Å; P110-F140 VanDerWaalsContact CG-CD1 3.48Å; P110-F140 HydrophobicContact CG-CD2 3.98Å; P110-F140 HydrophobicContact CG-CE1 3.43Å; P110-F140 VanDerWaalsContact CG-CE1 3.43Å; P110-F140 HydrophobicContact CG-CE2 3.93Å; P110-F140 HydrophobicContact CG-CG 3.76Å; P110-F140 HydrophobicContact CG-CZ 3.65Å; P110-L145 HydrophobicContact CB-CD1 3.59Å; P110-L145 HydrophobicContact CG-CD1 3.6Å
111E79.9Confident86.6Confident28 Ų2834.5 Ų34.513%0.13120%0.203CC..THydrogen-bonded Turntrans-100.90.8-176.8-72.8-65.1149.900112.1D109 A113 L145 R146 R149D109-E111 PolarHBondContact O-N 3.28Å; D109-E111 WeakPolarHBondContact OD1-CB 3.35Å; D109-E111 PolarHBondContact OD1-N 3.28Å; E111-A113 PolarHBondContact O-N 2.99Å; E111-L145 HydrophobicContact CG-CD1 4.36Å; E111-L145 VanDerWaalsContact OE1-CD1 3.24Å; E111-L145 WeakPolarHBondContact OE1-CD1 3.12Å; E111-R146 PolarHBondContact OE1-N 3.47Å; E111-R149 PolarHBondContact O-NH1 3.34Å; E111-R149 WeakPolarHBondContact OE2-CD 3.43Å; E111-R149 IonicContact OE2-CZ 3.78Å; E111-R149 IonicContact OE2-NE 3.02Å; E111-R149 IonicContact OE2-NH1 3.83Å; E111-R149 PolarHBondContact OE2-NH1 2.81Å; E111-R149 IonicContact OE2-NH2 3.95Å
112A83.9Confident86.5Confident5 Ų531 Ų314%0.04119%0.187CC..  trans-63.6101.9-179.400000111.3T86 D109 P120T86-A112 HydrophobicContact CG2-CB 3.54Å; D109-A112 HydrophobicContact CB-CB 4.19Å; A112-P120 VanDerWaalsContact O-CD 3.25Å; A112-P120 WeakPolarHBondContact O-CD 3.43Å
113A86Confident86.5Confident36 Ų3632.5 Ų32.530%0.29819%0.193SC..  trans-75.3134.817800000111.9R80 E111 N118R80-A113 PolarHBondContact NH1-O 2.95Å; E111-A113 PolarHBondContact O-N 2.99Å; A113-N118 WeakPolarHBondContact CA-O 3.3Å
114D88.5Confident86.5Confident13 Ų1332.5 Ų32.57%0.0719%0.193CC..  trans-78.6-175.9174.272.87.8000112.8R85 A116 G117 N118 W123R85-D114 HydrophobicContact CG-CB 3.73Å; D114-A116 PolarHBondContact O-N 3.21Å; D114-A116 VanDerWaalsContact OD1-CA 3.31Å; D114-A116 WeakPolarHBondContact OD1-CA 3.48Å; D114-A116 WeakPolarHBondContact OD1-CB 3.36Å; D114-A116 PolarHBondContact OD1-N 3.16Å; D114-G117 PolarHBondContact O-N 3.01Å; D114-G117 PolarHBondContact OD1-N 2.97Å; D114-N118 PolarHBondContact N-O 2.91Å; D114-N118 PolarHBondContact OD1-N 3.05Å; D114-W123 PolarHBondContact OD2-NE1 3.01Å
115S88.1Confident86.5Confident55 Ų5531.3 Ų31.339%0.38519%0.185SC..THydrogen-bonded Turntrans-65.4-15.6177.569.10000113.9R83 R152R83-S115 WeakPolarHBondContact O-CB 3.34Å; R83-S115 PolarHBondContact O-N 2.96Å; R83-S115 PolarHBondContact O-OG 3.45Å; S115-R152 PolarHBondContact O-NE 3.31Å; S115-R152 PolarHBondContact O-NH1 3.37Å; S115-R152 PolarHBondContact O-NH2 3.5Å; S115-R152 VanDerWaalsContact O-NH2 3.12Å
116A85.1Confident86.6Confident39 Ų3925.4 Ų25.432%0.32216%0.159SC..THydrogen-bonded Turntrans-94.80.4172.100000112.4D114 N118 R152D114-A116 PolarHBondContact O-N 3.21Å; D114-A116 VanDerWaalsContact OD1-CA 3.31Å; D114-A116 WeakPolarHBondContact OD1-CA 3.48Å; D114-A116 WeakPolarHBondContact OD1-CB 3.36Å; D114-A116 PolarHBondContact OD1-N 3.16Å; A116-N118 VanDerWaalsContact C-N 3.26Å; A116-N118 WeakPolarHBondContact CB-ND2 3.17Å; A116-R152 VanDerWaalsContact O-CB 3.31Å; A116-R152 WeakPolarHBondContact O-CB 3.43Å; A116-R152 VanDerWaalsContact O-CG 3.26Å; A116-R152 WeakPolarHBondContact O-CG 3.5Å; A116-R152 PolarHBondContact O-N 3.23Å; A116-R152 VanDerWaalsContact O-N 3.08Å
117G87.2Confident86.8Confident19 Ų1923.5 Ų23.520%0.19616%0.155CC..SBendtrans7610.6-173.700000113.6D114 N151D114-G117 PolarHBondContact O-N 3.01Å; D114-G117 PolarHBondContact OD1-N 2.97Å; G117-N151 WeakPolarHBondContact O-CA 3.4Å
118N88.6Confident87Confident22 Ų2219.7 Ų19.712%0.11813%0.132CC..  trans-79.7133.8175.7-59.6-49.7000109.8A113 D114 A116 M122 N151A113-N118 WeakPolarHBondContact CA-O 3.3Å; D114-N118 PolarHBondContact N-O 2.91Å; D114-N118 PolarHBondContact OD1-N 3.05Å; A116-N118 VanDerWaalsContact C-N 3.26Å; A116-N118 WeakPolarHBondContact CB-ND2 3.17Å; N118-M122 HydrophobicContact CB-CB 4.27Å; N118-N151 WeakPolarHBondContact OD1-CB 3.5Å; N118-N151 PolarHBondContact OD1-ND2 3.15Å
119S89.7Confident87.5Confident9 Ų922.3 Ų22.36%0.06314%0.143CC..  trans-85162.1168.469.50000111.2V121 M122 W123S119-V121 PolarHBondContact O-N 3.12Å; S119-M122 WeakPolarHBondContact O-CA 3.45Å; S119-M122 WeakPolarHBondContact O-CB 3.22Å; S119-M122 PolarHBondContact O-N 2.88Å; S119-M122 WeakPolarHBondContact OG-CG 3.37Å; S119-M122 PolarHBondContact OG-N 2.97Å; S119-W123 PolarHBondContact O-N 3.49Å; S119-W123 VanDerWaalsContact O-N 3.11Å
120P89.4Confident87.9Confident0 Ų019.8 Ų19.80%013%0.132CC..Hα-helixtrans-48.9-40.1172-28.328.6000113.6L88 C92 P110 A112 M122 W123 A124L88-P120 HydrophobicContact CD2-CB 4.26Å; L88-P120 HydrophobicContact CD2-CG 4.17Å; L88-P120 HydrophobicContact CG-CB 4.16Å; L88-P120 HydrophobicContact CG-CG 4.32Å; C92-P120 HydrophobicContact CB-CB 4.35Å; C92-P120 WeakPolarHBondContact CB-O 3.45Å; P110-P120 VanDerWaalsContact O-CD 3.29Å; P110-P120 WeakPolarHBondContact O-CD 3.23Å; A112-P120 VanDerWaalsContact O-CD 3.25Å; A112-P120 WeakPolarHBondContact O-CD 3.43Å; P120-M122 VanDerWaalsContact C-N 3.33Å; P120-M122 PolarHBondContact O-N 3.11Å; P120-W123 WeakPolarHBondContact O-CB 3.39Å; P120-W123 PolarHBondContact O-N 2.99Å; P120-A124 PolarHBondContact O-N 3.17Å
121V89.4Confident88.4Confident3 Ų322.2 Ų22.22%0.01815%0.152CC..Hα-helixtrans-62.6-40.4177.1-178.90000111.3S119 W123 A124 A125 L133 L136 L145 L147 A157 L173S119-V121 PolarHBondContact O-N 3.12Å; V121-W123 VanDerWaalsContact C-N 3.34Å; V121-A124 PolarHBondContact O-N 2.78Å; V121-A125 WeakPolarHBondContact O-CB 3.14Å; V121-A125 PolarHBondContact O-N 3.5Å; V121-L133 HydrophobicContact CB-CD1 4.47Å; V121-L133 HydrophobicContact CG1-CD1 3.52Å; V121-L136 HydrophobicContact CG2-CD1 4.28Å; V121-L145 HydrophobicContact CG2-CD1 4.06Å; V121-L145 HydrophobicContact CG2-CD2 3.91Å; V121-L145 HydrophobicContact CG2-CG 4.37Å; V121-L147 HydrophobicContact CG1-CD2 3.72Å; V121-A157 HydrophobicContact CG1-CB 4.27Å; V121-L173 HydrophobicContact CG1-CD2 4.5Å
122M89.6Confident89Confident4 Ų421 Ų212%0.0215%0.147CC..Hα-helixtrans-66-36.9176.5-64.5174.480.700111.6N118 S119 P120 A125 A126 N151 L155 A157 L160N118-M122 HydrophobicContact CB-CB 4.27Å; S119-M122 WeakPolarHBondContact O-CA 3.45Å; S119-M122 WeakPolarHBondContact O-CB 3.22Å; S119-M122 PolarHBondContact O-N 2.88Å; S119-M122 WeakPolarHBondContact OG-CG 3.37Å; S119-M122 PolarHBondContact OG-N 2.97Å; P120-M122 VanDerWaalsContact C-N 3.33Å; P120-M122 PolarHBondContact O-N 3.11Å; M122-A125 PolarHBondContact O-N 2.9Å; M122-A126 WeakPolarHBondContact O-CB 3.41Å; M122-A126 PolarHBondContact O-N 2.7Å; M122-N151 HydrophobicContact CE-CB 3.47Å; M122-N151 VanDerWaalsContact CE-CB 3.47Å; M122-N151 HydrophobicContact SD-CB 4.28Å; M122-L155 WeakPolarHBondContact CE-O 3.43Å; M122-A157 HydrophobicContact CG-CB 3.84Å; M122-L160 HydrophobicContact CB-CD1 3.93Å; M122-L160 HydrophobicContact CE-CD1 3.49Å; M122-L160 VanDerWaalsContact CE-CD1 3.49Å; M122-L160 HydrophobicContact CG-CD1 4.36Å
123W91.3Very high89.2Confident38 Ų3820.8 Ų20.814%0.14415%0.145CC..Hα-helixtrans-65.1-44.9173.3-80.8109.3000112.5C92 E93 D114 S119 P120 V121 A125 A126 C127C92-W123 HydrophobicContact CB-CB 4.33Å; E93-W123 HydrophobicContact CB-CB 4.35Å; E93-W123 HydrophobicContact CB-CD2 4.38Å; E93-W123 HydrophobicContact CB-CE3 4.2Å; E93-W123 HydrophobicContact CB-CG 4.48Å; E93-W123 HydrophobicContact CG-CD2 4.4Å; E93-W123 HydrophobicContact CG-CE3 3.82Å; E93-W123 HydrophobicContact CG-CZ3 4.15Å; D114-W123 PolarHBondContact OD2-NE1 3.01Å; S119-W123 PolarHBondContact O-N 3.49Å; S119-W123 VanDerWaalsContact O-N 3.11Å; P120-W123 WeakPolarHBondContact O-CB 3.39Å; P120-W123 PolarHBondContact O-N 2.99Å; V121-W123 VanDerWaalsContact C-N 3.34Å; W123-A125 VanDerWaalsContact C-N 3.32Å; W123-A125 PolarHBondContact O-N 3.46Å; W123-A126 PolarHBondContact O-N 3.35Å; W123-C127 WeakPolarHBondContact O-CB 3.45Å; W123-C127 PolarHBondContact O-N 3.25Å; W123-C127 PolarHBondContact O-SG 3.41Å; W123-C127 VanDerWaalsContact O-SG 3.42Å
124A91.1Very high89.3Confident0 Ų023.7 Ų23.70%015%0.153CC..Hα-helixtrans-60.4-42.8174.900000111.9C92 P120 V121 G128 H129 V132 L133C92-A124 HydrophobicContact CB-CB 4.06Å; P120-A124 PolarHBondContact O-N 3.17Å; V121-A124 PolarHBondContact O-N 2.78Å; A124-G128 PolarHBondContact O-N 3.29Å; A124-G128 VanDerWaalsContact O-N 3.09Å; A124-H129 PolarHBondContact O-N 3.15Å; A124-V132 HydrophobicContact CB-CB 4.5Å; A124-V132 HydrophobicContact CB-CG1 4.07Å; A124-L133 HydrophobicContact CB-CD1 4.03Å
125A90Very high89.4Confident0 Ų025.3 Ų25.30%016%0.159CC..Hα-helixtrans-66.6-41.9177.500000112.6V121 M122 W123 G128 L133 A157 A161 H166 L173V121-A125 WeakPolarHBondContact O-CB 3.14Å; V121-A125 PolarHBondContact O-N 3.5Å; M122-A125 PolarHBondContact O-N 2.9Å; W123-A125 VanDerWaalsContact C-N 3.32Å; W123-A125 PolarHBondContact O-N 3.46Å; A125-G128 PolarHBondContact O-N 3.45Å; A125-L133 HydrophobicContact CB-CD1 4.41Å; A125-L133 HydrophobicContact CB-CD2 4.15Å; A125-A157 HydrophobicContact CB-CB 4.12Å; A125-A157 WeakPolarHBondContact CB-O 3.38Å; A125-A161 HydrophobicContact CB-CB 4.15Å; A125-H166 PolarHBondContact O-CD2 3.42Å; A125-L173 HydrophobicContact CB-CD1 4.18Å
126A89.5Confident89.3Confident7 Ų722.7 Ų22.76%0.05814%0.141CC..Hα-helixtrans-72-29.4179.600000112.3M122 W123 L160 R164 H166M122-A126 WeakPolarHBondContact O-CB 3.41Å; M122-A126 PolarHBondContact O-N 2.7Å; W123-A126 PolarHBondContact O-N 3.35Å; A126-L160 HydrophobicContact CB-CB 4.34Å; A126-R164 VanDerWaalsContact C-NH1 3.33Å; A126-R164 WeakPolarHBondContact O-CD 3.37Å; A126-R164 PolarHBondContact O-NH1 3.43Å; A126-H166 PolarHBondContact O-CD2 3.1Å; A126-H166 PolarHBondContact O-NE2 3.37Å
127C89.8Confident89.3Confident42 Ų4221.2 Ų21.228%0.28413%0.128SC..Hα-helixtrans-92.2-4.7178.2-66.70000113.5E93 W123 H129E93-C127 PolarHBondContact O-SG 3.03Å; E93-C127 VanDerWaalsContact O-SG 3.4Å; W123-C127 WeakPolarHBondContact O-CB 3.45Å; W123-C127 PolarHBondContact O-N 3.25Å; W123-C127 PolarHBondContact O-SG 3.41Å; W123-C127 VanDerWaalsContact O-SG 3.42Å; C127-H129 WeakPolarHBondContact CB-CD2 3.43Å; C127-H129 WeakPolarHBondContact CB-NE2 3.23Å
128G89Confident89.2Confident18 Ų1829 Ų2919%0.18615%0.151CC..THydrogen-bonded Turntrans84.416.1175.400000115.1A124 A125 G130 H166 C169A124-G128 PolarHBondContact O-N 3.29Å; A124-G128 VanDerWaalsContact O-N 3.09Å; A125-G128 PolarHBondContact O-N 3.45Å; G128-G130 VanDerWaalsContact C-N 3.34Å; G128-G130 PolarHBondContact O-N 3.38Å; G128-H166 VanDerWaalsContact CA-CD2 3.44Å; G128-H166 WeakPolarHBondContact CA-CD2 3.37Å; G128-H166 PolarHBondContact N-CD2 3.07Å; G128-C169 WeakPolarHBondContact CA-SG 3.37Å
129H92.6Very high88.9Confident57 Ų5729.9 Ų29.926%0.26416%0.159SC..  trans-83.772.4-175.1-61.2-54.9000112.4C92 E93 G95 A124 C127 A131 V132 L133 C169C92-H129 PolarHBondContact O-CD2 2.9Å; E93-H129 PolarHBondContact O-NE2 2.74Å; E93-H129 VanDerWaalsContact O-NE2 3.1Å; G95-H129 VanDerWaalsContact CA-CD2 3.4Å; G95-H129 WeakPolarHBondContact CA-CD2 3.37Å; G95-H129 WeakPolarHBondContact CA-ND1 3.45Å; G95-H129 PolarHBondContact N-CD2 3.39Å; G95-H129 VanDerWaalsContact N-CD2 3.35Å; G95-H129 PolarHBondContact N-NE2 3.5Å; A124-H129 PolarHBondContact O-N 3.15Å; C127-H129 WeakPolarHBondContact CB-CD2 3.43Å; C127-H129 WeakPolarHBondContact CB-NE2 3.23Å; H129-A131 PolarHBondContact O-N 2.88Å; H129-V132 HydrophobicContact CB-CB 4.1Å; H129-V132 HydrophobicContact CB-CG2 4.18Å; H129-V132 PolarHBondContact O-N 3.27Å; H129-L133 PolarHBondContact O-N 3.29Å; H129-C169 PolarHBondContact N-SG 3.23Å
130G88.4Confident88.5Confident9 Ų930 Ų309%0.09316%0.158CC..Hα-helixtrans-54.8-44.9-17600000114.1G128 V132 L133 E134 C169G128-G130 VanDerWaalsContact C-N 3.34Å; G128-G130 PolarHBondContact O-N 3.38Å; G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 2.91Å; G130-L133 WeakPolarHBondContact O-CB 3.19Å; G130-L133 PolarHBondContact O-N 3.3Å; G130-L133 VanDerWaalsContact O-N 3.1Å; G130-E134 WeakPolarHBondContact O-CG 3.44Å; G130-E134 PolarHBondContact O-N 3.49Å; G130-C169 PolarHBondContact N-SG 3.37Å
131A89.8Confident87.7Confident62 Ų6238.7 Ų38.751%0.51219%0.191SC..Hα-helixtrans-62.8-37.2179.800000113.2H129 F135H129-A131 PolarHBondContact O-N 2.88Å; A131-F135 WeakPolarHBondContact O-CB 3.39Å; A131-F135 PolarHBondContact O-N 3.33Å; A131-F135 VanDerWaalsContact O-N 3.12Å
132V91.3Very high86.5Confident3 Ų350.2 Ų50.22%0.01824%0.235CC..Hα-helixtrans-66.6-42.6174.1173.10000110.2L97 V100 A124 H129 G130 F135 L136L97-V132 HydrophobicContact CB-CG2 4.12Å; L97-V132 HydrophobicContact CD1-CG2 4.23Å; V100-V132 HydrophobicContact CB-CG1 4.5Å; V100-V132 HydrophobicContact CG1-CG1 4.28Å; V100-V132 HydrophobicContact CG2-CG1 3.89Å; A124-V132 HydrophobicContact CB-CB 4.5Å; A124-V132 HydrophobicContact CB-CG1 4.07Å; H129-V132 HydrophobicContact CB-CB 4.1Å; H129-V132 HydrophobicContact CB-CG2 4.18Å; H129-V132 PolarHBondContact O-N 3.27Å; G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 2.91Å; V132-F135 PolarHBondContact O-N 2.93Å; V132-L136 HydrophobicContact CG1-CD1 3.94Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CG 3.22Å; V132-L136 PolarHBondContact O-N 3.28Å
133L89.1Confident85.4Confident0 Ų056.4 Ų56.40%027%0.267CS..Hα-helixtrans-64.8-45.2-179.1-159.161.8000111.9V121 A124 A125 H129 G130 F135 L136 V137 C169 A172 L173V121-L133 HydrophobicContact CB-CD1 4.47Å; V121-L133 HydrophobicContact CG1-CD1 3.52Å; A124-L133 HydrophobicContact CB-CD1 4.03Å; A125-L133 HydrophobicContact CB-CD1 4.41Å; A125-L133 HydrophobicContact CB-CD2 4.15Å; H129-L133 PolarHBondContact O-N 3.29Å; G130-L133 WeakPolarHBondContact O-CB 3.19Å; G130-L133 PolarHBondContact O-N 3.3Å; G130-L133 VanDerWaalsContact O-N 3.1Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 2.91Å; L133-L136 PolarHBondContact O-N 2.96Å; L133-V137 WeakPolarHBondContact O-CB 3.32Å; L133-V137 VanDerWaalsContact O-CG2 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.3Å; L133-V137 PolarHBondContact O-N 3.43Å; L133-C169 HydrophobicContact CD2-CB 3.63Å; L133-A172 HydrophobicContact CB-CB 4.32Å; L133-A172 HydrophobicContact CD2-CB 4.23Å; L133-A172 HydrophobicContact CG-CB 4.39Å; L133-L173 HydrophobicContact CD1-CD2 4.12Å; L133-L173 HydrophobicContact CD2-CD1 3.78Å; L133-L173 HydrophobicContact CD2-CD2 3.98Å; L133-L173 HydrophobicContact CD2-CG 3.51Å; L133-L173 HydrophobicContact CG-CD2 4.01Å; L133-L173 HydrophobicContact CG-CG 4.08Å
134E88.1Confident84.3Confident98 Ų9857 Ų5746%0.45829%0.285SS..Hα-helixtrans-58-45.4173.2-73.3-176.9178.900111.6G130 R138 A172G130-E134 WeakPolarHBondContact O-CG 3.44Å; G130-E134 PolarHBondContact O-N 3.49Å; E134-R138 WeakPolarHBondContact O-CB 3.34Å; E134-R138 PolarHBondContact O-N 3.45Å; E134-A172 HydrophobicContact CG-CB 3.52Å
135F89.9Confident83.6Confident46 Ų4658.3 Ų58.320%0.20229%0.292CS..Hα-helixtrans-61.6-45.1177.7177.9-96.4000112.1L97 V100 Q101 V104 A131 V132 L133 R138 S139L97-F135 HydrophobicContact CD1-CB 3.83Å; L97-F135 HydrophobicContact CD1-CD1 4.48Å; L97-F135 HydrophobicContact CD1-CG 4.09Å; V100-F135 HydrophobicContact CG1-CD1 3.8Å; V100-F135 HydrophobicContact CG1-CE1 4.04Å; Q101-F135 HydrophobicContact CB-CE1 4.41Å; Q101-F135 HydrophobicContact CB-CZ 4.12Å; Q101-F135 HydrophobicContact CG-CD1 4.32Å; Q101-F135 HydrophobicContact CG-CD2 4.13Å; Q101-F135 HydrophobicContact CG-CE1 3.91Å; Q101-F135 HydrophobicContact CG-CE2 3.71Å; Q101-F135 HydrophobicContact CG-CG 4.42Å; Q101-F135 HydrophobicContact CG-CZ 3.59Å; V104-F135 HydrophobicContact CB-CE1 4.11Å; V104-F135 HydrophobicContact CG1-CE1 4.33Å; V104-F135 HydrophobicContact CG2-CE1 4.01Å; A131-F135 WeakPolarHBondContact O-CB 3.39Å; A131-F135 PolarHBondContact O-N 3.33Å; A131-F135 VanDerWaalsContact O-N 3.12Å; V132-F135 PolarHBondContact O-N 2.93Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 2.91Å; F135-R138 PolarHBondContact O-N 3.21Å; F135-S139 WeakPolarHBondContact CZ-OG 3.46Å; F135-S139 WeakPolarHBondContact O-CB 3Å; F135-S139 PolarHBondContact O-N 3.46Å; F135-S139 PolarHBondContact O-OG 3.01Å
136L87.1Confident82.9Confident0 Ų066.1 Ų66.10%032%0.322CS..Hα-helixtrans-64.5-49.1178.6-71.9171.7000111.7V100 V104 V121 V132 L133 R138 S139 F140V100-L136 HydrophobicContact CG1-CD2 3.78Å; V100-L136 HydrophobicContact CG1-CG 4.18Å; V104-L136 HydrophobicContact CG2-CD2 4.09Å; V121-L136 HydrophobicContact CG2-CD1 4.28Å; V132-L136 HydrophobicContact CG1-CD1 3.94Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CG 3.22Å; V132-L136 PolarHBondContact O-N 3.28Å; L133-L136 PolarHBondContact O-N 2.96Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 2.95Å; L136-S139 PolarHBondContact O-N 3.37Å; L136-F140 HydrophobicContact CB-CD2 4.49Å; L136-F140 HydrophobicContact CD2-CD2 4.01Å; L136-F140 HydrophobicContact CD2-CE2 3.65Å; L136-F140 WeakPolarHBondContact O-CB 3.33Å; L136-F140 WeakPolarHBondContact O-CD2 3.5Å; L136-F140 PolarHBondContact O-N 3.21Å
137V85.4Confident82.4Confident9 Ų967 Ų676%0.05533%0.325CS..Hα-helixtrans-60.7-42.2179172.80000110.6L133 R141 L145 L147 L173 W177L133-V137 WeakPolarHBondContact O-CB 3.32Å; L133-V137 VanDerWaalsContact O-CG2 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.3Å; L133-V137 PolarHBondContact O-N 3.43Å; V137-R141 WeakPolarHBondContact O-CB 3.44Å; V137-R141 PolarHBondContact O-N 2.96Å; V137-R141 VanDerWaalsContact O-N 3.15Å; V137-L145 HydrophobicContact CG2-CD2 4.48Å; V137-L147 HydrophobicContact CG2-CD1 4.37Å; V137-L147 HydrophobicContact CG2-CD2 4.3Å; V137-L173 HydrophobicContact CG2-CD2 4.24Å; V137-W177 HydrophobicContact CG1-CB 3.62Å
138R84.9Confident81.8Confident182 Ų18269.2 Ų69.269%0.68733%0.334SS*.Hα-helixtrans-65.1-45.2177.1-178.1177.2173.683.80.3112.3E134 F135 L136E134-R138 WeakPolarHBondContact O-CB 3.34Å; E134-R138 PolarHBondContact O-N 3.45Å; F135-R138 PolarHBondContact O-N 3.21Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 2.95Å
139S81.9Confident81.3Confident41 Ų4173.5 Ų73.529%0.28735%0.345SS..Hα-helixtrans-72.4-41.3-175-59.30000112.1F135 L136F135-S139 WeakPolarHBondContact CZ-OG 3.46Å; F135-S139 WeakPolarHBondContact O-CB 3Å; F135-S139 PolarHBondContact O-N 3.46Å; F135-S139 PolarHBondContact O-OG 3.01Å; L136-S139 PolarHBondContact O-N 3.37Å
140F80.1Confident81Confident10 Ų1074.5 Ų74.54%0.04436%0.355CS..Hα-helixtrans-94.45.2-176-66.3-77.6000114.5V104 P110 L136 R142 L143 G144 L145V104-F140 HydrophobicContact CB-CE2 4.34Å; V104-F140 HydrophobicContact CB-CZ 4.23Å; V104-F140 HydrophobicContact CG1-CE1 4.49Å; V104-F140 HydrophobicContact CG1-CE2 3.86Å; V104-F140 HydrophobicContact CG1-CZ 3.71Å; V104-F140 HydrophobicContact CG2-CE2 3.51Å; V104-F140 HydrophobicContact CG2-CZ 3.7Å; P110-F140 HydrophobicContact CB-CD1 4.23Å; P110-F140 HydrophobicContact CB-CD2 3.81Å; P110-F140 HydrophobicContact CB-CE1 4.06Å; P110-F140 HydrophobicContact CB-CE2 3.61Å; P110-F140 HydrophobicContact CB-CG 4.11Å; P110-F140 HydrophobicContact CB-CZ 3.74Å; P110-F140 VanDerWaalsContact CD-CE1 3.49Å; P110-F140 HydrophobicContact CG-CD1 3.48Å; P110-F140 VanDerWaalsContact CG-CD1 3.48Å; P110-F140 HydrophobicContact CG-CD2 3.98Å; P110-F140 HydrophobicContact CG-CE1 3.43Å; P110-F140 VanDerWaalsContact CG-CE1 3.43Å; P110-F140 HydrophobicContact CG-CE2 3.93Å; P110-F140 HydrophobicContact CG-CG 3.76Å; P110-F140 HydrophobicContact CG-CZ 3.65Å; L136-F140 HydrophobicContact CB-CD2 4.49Å; L136-F140 HydrophobicContact CD2-CD2 4.01Å; L136-F140 HydrophobicContact CD2-CE2 3.65Å; L136-F140 WeakPolarHBondContact O-CB 3.33Å; L136-F140 WeakPolarHBondContact O-CD2 3.5Å; L136-F140 PolarHBondContact O-N 3.21Å; F140-R142 VanDerWaalsContact C-N 3.26Å; F140-R142 PolarHBondContact O-N 2.86Å; F140-L143 HydrophobicContact CD1-CB 4.06Å; F140-L143 HydrophobicContact CD1-CD1 3.36Å; F140-L143 HydrophobicContact CD1-CG 4.31Å; F140-L143 HydrophobicContact CE1-CD1 3.7Å; F140-L143 HydrophobicContact CG-CD1 4.44Å; F140-L143 CarbonylContact O-C 3.53Å; F140-L143 PolarHBondContact O-N 3.32Å; F140-G144 PolarHBondContact O-N 3.12Å; F140-L145 HydrophobicContact CB-CB 3.72Å; F140-L145 HydrophobicContact CB-CD1 3.95Å; F140-L145 HydrophobicContact CB-CD2 4.2Å; F140-L145 HydrophobicContact CB-CG 4.19Å; F140-L145 HydrophobicContact CG-CD1 4.32Å; F140-L145 PolarHBondContact O-N 3.24Å
141R72.8Confident80.9Confident183 Ų18374.9 Ų74.969%0.69136%0.355SS*.THydrogen-bonded Turntrans-54.2-41.9171.8-176.4179.6179.2-163.51.1112.6V137 L143V137-R141 WeakPolarHBondContact O-CB 3.44Å; V137-R141 PolarHBondContact O-N 2.96Å; V137-R141 VanDerWaalsContact O-N 3.15Å; R141-L143 VanDerWaalsContact C-N 3.29Å
142R64.8Low80.8Confident246 Ų24681.5 Ų81.593%0.92837%0.366SS*.THydrogen-bonded Turntrans-74.7-22.2179.2-67.9-176.3-178.8-178.30.5112.8F140F140-R142 VanDerWaalsContact C-N 3.26Å; F140-R142 PolarHBondContact O-N 2.86Å
143L67Low80.5Confident133 Ų13385 Ų8570%0.69640%0.395SS*.THydrogen-bonded Turntrans-93.9-6.2-178-67.9165.2000112.5F140 R141F140-L143 HydrophobicContact CD1-CB 4.06Å; F140-L143 HydrophobicContact CD1-CD1 3.36Å; F140-L143 HydrophobicContact CD1-CG 4.31Å; F140-L143 HydrophobicContact CE1-CD1 3.7Å; F140-L143 HydrophobicContact CG-CD1 4.44Å; F140-L143 CarbonylContact O-C 3.53Å; F140-L143 PolarHBondContact O-N 3.32Å; R141-L143 VanDerWaalsContact C-N 3.29Å
144G67.6Low80.3Confident51 Ų5187 Ų8753%0.52642%0.416SS..THydrogen-bonded Turntrans78.341.9175.200000113.9F140 R146F140-G144 PolarHBondContact O-N 3.12Å; G144-R146 PolarHBondContact O-N 2.88Å
145L76.8Confident80.3Confident28 Ų2885.4 Ų85.415%0.14741%0.411CS..  trans-49128173.3-166.273.5000111.2P110 E111 V121 V137 F140 L147P110-L145 HydrophobicContact CB-CD1 3.59Å; P110-L145 HydrophobicContact CG-CD1 3.6Å; E111-L145 HydrophobicContact CG-CD1 4.36Å; E111-L145 VanDerWaalsContact OE1-CD1 3.24Å; E111-L145 WeakPolarHBondContact OE1-CD1 3.12Å; V121-L145 HydrophobicContact CG2-CD1 4.06Å; V121-L145 HydrophobicContact CG2-CD2 3.91Å; V121-L145 HydrophobicContact CG2-CG 4.37Å; V137-L145 HydrophobicContact CG2-CD2 4.48Å; F140-L145 HydrophobicContact CB-CB 3.72Å; F140-L145 HydrophobicContact CB-CD1 3.95Å; F140-L145 HydrophobicContact CB-CD2 4.2Å; F140-L145 HydrophobicContact CB-CG 4.19Å; F140-L145 HydrophobicContact CG-CD1 4.32Å; F140-L145 PolarHBondContact O-N 3.24Å; L145-L147 HydrophobicContact CD2-CD2 3.77Å; L145-L147 HydrophobicContact CG-CD2 4.28Å
146R75.5Confident80.2Confident164 Ų16484.1 Ų84.162%0.61941%0.407SS*.  trans-9993.5-177.2-66.5-171.6179.1-171.71.9110E111 G144 D148 R149E111-R146 PolarHBondContact OE1-N 3.47Å; G144-R146 PolarHBondContact O-N 2.88Å; R146-D148 PolarHBondContact O-N 3.37Å; R146-R149 HydrophobicContact CB-CG 4.21Å
147L77.6Confident80.2Confident25 Ų2584.3 Ų84.313%0.13141%0.408CS..THydrogen-bonded Turntrans-71-18.3176-60.3179000113.4V121 V137 L145 R149 L173 A181V121-L147 HydrophobicContact CG1-CD2 3.72Å; V137-L147 HydrophobicContact CG2-CD1 4.37Å; V137-L147 HydrophobicContact CG2-CD2 4.3Å; L145-L147 HydrophobicContact CD2-CD2 3.77Å; L145-L147 HydrophobicContact CG-CD2 4.28Å; L147-R149 VanDerWaalsContact C-N 3.26Å; L147-R149 PolarHBondContact O-N 2.91Å; L147-L173 HydrophobicContact CD1-CD2 4.04Å; L147-L173 HydrophobicContact CD2-CD2 3.89Å; L147-A181 HydrophobicContact CB-CB 3.79Å; L147-A181 HydrophobicContact CD1-CB 4.07Å
148D77.6Confident80.3Confident88 Ų8885.5 Ų85.547%0.47141%0.414SS..THydrogen-bonded Turntrans-80.5-3.2-176.8-54.7-35.4000113.5R146 A181R146-D148 PolarHBondContact O-N 3.37Å; D148-A181 WeakPolarHBondContact OD1-CA 3.33Å
149R79.7Confident80.4Confident109 Ų10979.5 Ų79.541%0.41139%0.393SS..  trans-67.2138.2177.7-78.5-166.5179.2153.112.8110.9E111 R146 L147E111-R149 PolarHBondContact O-NH1 3.34Å; E111-R149 WeakPolarHBondContact OE2-CD 3.43Å; E111-R149 IonicContact OE2-CZ 3.78Å; E111-R149 IonicContact OE2-NE 3.02Å; E111-R149 IonicContact OE2-NH1 3.83Å; E111-R149 PolarHBondContact OE2-NH1 2.81Å; E111-R149 IonicContact OE2-NH2 3.95Å; R146-R149 HydrophobicContact CB-CG 4.21Å; L147-R149 VanDerWaalsContact C-N 3.26Å; L147-R149 PolarHBondContact O-N 2.91Å
150T85.4Confident80.7Confident77 Ų7778.5 Ų78.547%0.47239%0.385SS..BIsolated β-bridgetrans-101.3145.9174.255.80000110.5G154 L155 T156T150-G154 WeakPolarHBondContact CG2-O 3.16Å; T150-L155 VanDerWaalsContact CA-O 3.3Å; T150-L155 WeakPolarHBondContact CA-O 3.37Å; T150-T156 HydrophobicContact CG2-CG2 3.77Å
151N86.8Confident81.1Confident18 Ų1878 Ų7810%0.09638%0.383CS..  trans-75.6-174.9168.961.211.2000110.8G117 N118 M122 A153 G154 L155G117-N151 WeakPolarHBondContact O-CA 3.4Å; N118-N151 WeakPolarHBondContact OD1-CB 3.5Å; N118-N151 PolarHBondContact OD1-ND2 3.15Å; M122-N151 HydrophobicContact CE-CB 3.47Å; M122-N151 VanDerWaalsContact CE-CB 3.47Å; M122-N151 HydrophobicContact SD-CB 4.28Å; N151-A153 PolarHBondContact O-N 3.1Å; N151-A153 VanDerWaalsContact O-N 3.15Å; N151-A153 WeakPolarHBondContact OD1-CA 3.4Å; N151-A153 WeakPolarHBondContact OD1-CB 3.47Å; N151-A153 PolarHBondContact OD1-N 2.73Å; N151-G154 PolarHBondContact O-N 3.27Å; N151-G154 PolarHBondContact OD1-N 3.25Å; N151-L155 PolarHBondContact N-O 3.42Å; N151-L155 PolarHBondContact OD1-N 3.35Å; N151-L155 PolarHBondContact OD1-O 2.95Å
152R87.6Confident81.9Confident201 Ų20172 Ų7276%0.75837%0.372SS*.THydrogen-bonded Turntrans-61.5-19.8175.2-71.1-177.3-179.1177.84.3114.1S115 A116 G154S115-R152 PolarHBondContact O-NE 3.31Å; S115-R152 PolarHBondContact O-NH1 3.37Å; S115-R152 PolarHBondContact O-NH2 3.5Å; S115-R152 VanDerWaalsContact O-NH2 3.12Å; A116-R152 VanDerWaalsContact O-CB 3.31Å; A116-R152 WeakPolarHBondContact O-CB 3.43Å; A116-R152 VanDerWaalsContact O-CG 3.26Å; A116-R152 WeakPolarHBondContact O-CG 3.5Å; A116-R152 PolarHBondContact O-N 3.23Å; A116-R152 VanDerWaalsContact O-N 3.08Å; R152-G154 VanDerWaalsContact C-N 3.29Å
153A84.4Confident82.9Confident75 Ų7564.3 Ų64.362%0.6236%0.361SS*.THydrogen-bonded Turntrans-861.9174.200000113.1N151 L155N151-A153 PolarHBondContact O-N 3.1Å; N151-A153 VanDerWaalsContact O-N 3.15Å; N151-A153 WeakPolarHBondContact OD1-CA 3.4Å; N151-A153 WeakPolarHBondContact OD1-CB 3.47Å; N151-A153 PolarHBondContact OD1-N 2.73Å; A153-L155 HydrophobicContact CB-CD1 4.39Å; A153-L155 HydrophobicContact CB-CG 4.32Å; A153-L155 PolarHBondContact O-N 3.4Å
154G85.9Confident83.9Confident43 Ų4364.7 Ų64.744%0.44335%0.353SS..SBendtrans75.58.6-177.700000114.1T150 N151 R152T150-G154 WeakPolarHBondContact CG2-O 3.16Å; N151-G154 PolarHBondContact O-N 3.27Å; N151-G154 PolarHBondContact OD1-N 3.25Å; R152-G154 VanDerWaalsContact C-N 3.29Å
155L86.6Confident84.8Confident65 Ų6565.3 Ų65.334%0.3436%0.359SS..  trans-93.5136.8-177.7-60.6176000110.9M122 T150 N151 A153 Q159 L160M122-L155 WeakPolarHBondContact CE-O 3.43Å; T150-L155 VanDerWaalsContact CA-O 3.3Å; T150-L155 WeakPolarHBondContact CA-O 3.37Å; N151-L155 PolarHBondContact N-O 3.42Å; N151-L155 PolarHBondContact OD1-N 3.35Å; N151-L155 PolarHBondContact OD1-O 2.95Å; A153-L155 HydrophobicContact CB-CD1 4.39Å; A153-L155 HydrophobicContact CB-CG 4.32Å; A153-L155 PolarHBondContact O-N 3.4Å; L155-Q159 HydrophobicContact CD2-CB 4.31Å; L155-L160 HydrophobicContact CB-CD2 4.14Å; L155-L160 HydrophobicContact CB-CG 4.1Å; L155-L160 HydrophobicContact CD1-CD2 3.76Å
156T89.5Confident85.4Confident19 Ų1966.5 Ų66.512%0.11736%0.364CS..BIsolated β-bridgetrans-83.1164.9170.559.10000111.6T150 L158 Q159 L160T150-T156 HydrophobicContact CG2-CG2 3.77Å; T156-L158 PolarHBondContact O-N 3.26Å; T156-Q159 PolarHBondContact O-N 3.04Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.34Å; T156-Q159 PolarHBondContact OG1-N 2.92Å; T156-Q159 PolarHBondContact OG1-OE1 2.86Å; T156-Q159 VanDerWaalsContact OG1-OE1 3.05Å; T156-L160 WeakPolarHBondContact O-CG 3.33Å; T156-L160 PolarHBondContact O-N 2.88Å
157A86.6Confident85.9Confident3 Ų360.7 Ų60.73%0.02536%0.356CS..Hα-helixtrans-56.1-38.6175.100000112.6V121 M122 A125 L160 A161 L173V121-A157 HydrophobicContact CG1-CB 4.27Å; M122-A157 HydrophobicContact CG-CB 3.84Å; A125-A157 HydrophobicContact CB-CB 4.12Å; A125-A157 WeakPolarHBondContact CB-O 3.38Å; A157-L160 PolarHBondContact O-N 3.11Å; A157-A161 PolarHBondContact O-N 3.47Å; A157-L173 HydrophobicContact CB-CD1 4.12Å
158L87.5Confident86.3Confident34 Ų3463.4 Ų63.418%0.17837%0.373CS..Hα-helixtrans-66.5-45.5177.9-177.6152.1000111.6T156 L160 A161 A162 L173 T174 A185T156-L158 PolarHBondContact O-N 3.26Å; L158-L160 VanDerWaalsContact C-N 3.3Å; L158-L160 PolarHBondContact O-N 3.16Å; L158-A161 PolarHBondContact O-N 2.96Å; L158-A162 WeakPolarHBondContact O-CB 3.28Å; L158-A162 PolarHBondContact O-N 3.36Å; L158-L173 HydrophobicContact CB-CD1 4.25Å; L158-T174 HydrophobicContact CD1-CG2 3.48Å; L158-T174 VanDerWaalsContact CD1-CG2 3.48Å; L158-A185 HydrophobicContact CD2-CB 4.36Å
159Q87.9Confident86.7Confident56 Ų5659.2 Ų59.226%0.26235%0.351SS..Hα-helixtrans-62.8-37.7176.8-74.1165.8-32.300111.6L155 T156 A162 A163L155-Q159 HydrophobicContact CD2-CB 4.31Å; T156-Q159 PolarHBondContact O-N 3.04Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.34Å; T156-Q159 PolarHBondContact OG1-N 2.92Å; T156-Q159 PolarHBondContact OG1-OE1 2.86Å; T156-Q159 VanDerWaalsContact OG1-OE1 3.05Å; Q159-A162 PolarHBondContact O-N 3.19Å; Q159-A163 WeakPolarHBondContact O-CB 3.45Å; Q159-A163 PolarHBondContact O-N 3.34Å
160L87.5Confident87Confident21 Ų2155.9 Ų55.911%0.1134%0.342CS..Hα-helixtrans-64.4-44.1174.8-73.2172000112.6M122 A126 L155 T156 A157 L158 R164M122-L160 HydrophobicContact CB-CD1 3.93Å; M122-L160 HydrophobicContact CE-CD1 3.49Å; M122-L160 VanDerWaalsContact CE-CD1 3.49Å; M122-L160 HydrophobicContact CG-CD1 4.36Å; A126-L160 HydrophobicContact CB-CB 4.34Å; L155-L160 HydrophobicContact CB-CD2 4.14Å; L155-L160 HydrophobicContact CB-CG 4.1Å; L155-L160 HydrophobicContact CD1-CD2 3.76Å; T156-L160 WeakPolarHBondContact O-CG 3.33Å; T156-L160 PolarHBondContact O-N 2.88Å; A157-L160 PolarHBondContact O-N 3.11Å; L158-L160 VanDerWaalsContact C-N 3.3Å; L158-L160 PolarHBondContact O-N 3.16Å; L160-R164 PolarHBondContact O-N 3.45Å
161A88.6Confident87Confident0 Ų058.9 Ų58.90%035%0.351CS..Hα-helixtrans-63.4-43.3175.600000111.7A125 A157 L158 R164 G165 H166 C169 V170A125-A161 HydrophobicContact CB-CB 4.15Å; A157-A161 PolarHBondContact O-N 3.47Å; L158-A161 PolarHBondContact O-N 2.96Å; A161-R164 PolarHBondContact O-N 3.12Å; A161-G165 PolarHBondContact O-N 3.05Å; A161-G165 VanDerWaalsContact O-N 3.15Å; A161-H166 HydrophobicContact CB-CB 4.44Å; A161-H166 PolarHBondContact O-N 3.31Å; A161-C169 HydrophobicContact CB-CB 3.74Å; A161-V170 HydrophobicContact CB-CG2 3.9Å
162A88.3Confident87Confident56 Ų5658 Ų5846%0.46335%0.347SS..Hα-helixtrans-65.6-45.2178.400000111.9L158 Q159 R164 G165 V170L158-A162 WeakPolarHBondContact O-CB 3.28Å; L158-A162 PolarHBondContact O-N 3.36Å; Q159-A162 PolarHBondContact O-N 3.19Å; A162-R164 PolarHBondContact O-N 2.9Å; A162-G165 PolarHBondContact O-N 3.29Å; A162-V170 HydrophobicContact CB-CG2 4.31Å
163A87.1Confident86.7Confident84 Ų8448.6 Ų48.669%0.69431%0.311SS*.Hα-helixtrans-62.1-28.1179.300000113Q159Q159-A163 WeakPolarHBondContact O-CB 3.45Å; Q159-A163 PolarHBondContact O-N 3.34Å
164R87.1Confident86.5Confident141 Ų14147.3 Ų47.353%0.53230%0.296SS..THydrogen-bonded Turntrans-96.32176.3-68.6-174.4171.1179.51.6114.1A126 L160 A161 A162 H166A126-R164 VanDerWaalsContact C-NH1 3.33Å; A126-R164 WeakPolarHBondContact O-CD 3.37Å; A126-R164 PolarHBondContact O-NH1 3.43Å; L160-R164 PolarHBondContact O-N 3.45Å; A161-R164 PolarHBondContact O-N 3.12Å; A162-R164 PolarHBondContact O-N 2.9Å; R164-H166 VanDerWaalsContact C-N 3.34Å; R164-H166 PolarHBondContact O-N 3.03Å
165G87.3Confident85.8Confident64 Ų6445.9 Ų45.966%0.6628%0.281SS*.THydrogen-bonded Turntrans72.820.8178.400000114.7A161 A162 G167A161-G165 PolarHBondContact O-N 3.05Å; A161-G165 VanDerWaalsContact O-N 3.15Å; A162-G165 PolarHBondContact O-N 3.29Å; G165-G167 PolarHBondContact O-N 3.46Å
166H89.6Confident84.7Confident54 Ų5447 Ų4725%0.2529%0.292CS..  trans-83.676.6-177.9-62.5-40.7000111.9A125 A126 G128 A161 R164 T168 C169 V170A125-H166 PolarHBondContact O-CD2 3.42Å; A126-H166 PolarHBondContact O-CD2 3.1Å; A126-H166 PolarHBondContact O-NE2 3.37Å; G128-H166 VanDerWaalsContact CA-CD2 3.44Å; G128-H166 WeakPolarHBondContact CA-CD2 3.37Å; G128-H166 PolarHBondContact N-CD2 3.07Å; A161-H166 HydrophobicContact CB-CB 4.44Å; A161-H166 PolarHBondContact O-N 3.31Å; R164-H166 VanDerWaalsContact C-N 3.34Å; R164-H166 PolarHBondContact O-N 3.03Å; H166-T168 VanDerWaalsContact C-N 3.3Å; H166-T168 PolarHBondContact O-N 2.98Å; H166-C169 HydrophobicContact CB-CB 4.03Å; H166-C169 WeakPolarHBondContact O-CB 3.42Å; H166-C169 PolarHBondContact O-N 3.17Å; H166-V170 PolarHBondContact O-N 2.84Å
167G86Confident83.3Confident42 Ų4251.5 Ų51.543%0.43331%0.307SS..Hα-helixtrans-56.7-36.1-177.100000114.8G165 C169 V170 Q171G165-G167 PolarHBondContact O-N 3.46Å; G167-C169 VanDerWaalsContact C-N 3.34Å; G167-C169 PolarHBondContact O-N 3.33Å; G167-V170 PolarHBondContact O-N 3.44Å; G167-Q171 WeakPolarHBondContact O-CG 3.44Å; G167-Q171 PolarHBondContact O-N 3.38Å
168T86.4Confident81.8Confident82 Ų8251.4 Ų51.450%0.50331%0.307SS..Hα-helixtrans-63.3-39.2175.353.30000112.1H166 Q171 A172H166-T168 VanDerWaalsContact C-N 3.3Å; H166-T168 PolarHBondContact O-N 2.98Å; T168-Q171 PolarHBondContact O-N 3.47Å; T168-A172 WeakPolarHBondContact O-CB 3.48Å; T168-A172 PolarHBondContact O-N 3.37Å
169C85.7Confident80.2Confident0 Ų058.5 Ų58.50%033%0.331CS..Hα-helixtrans-70.3-39.4175.2-69.70000111.7G128 H129 G130 L133 A161 H166 G167 Q171 A172 L173G128-C169 WeakPolarHBondContact CA-SG 3.37Å; H129-C169 PolarHBondContact N-SG 3.23Å; G130-C169 PolarHBondContact N-SG 3.37Å; L133-C169 HydrophobicContact CD2-CB 3.63Å; A161-C169 HydrophobicContact CB-CB 3.74Å; H166-C169 HydrophobicContact CB-CB 4.03Å; H166-C169 WeakPolarHBondContact O-CB 3.42Å; H166-C169 PolarHBondContact O-N 3.17Å; G167-C169 VanDerWaalsContact C-N 3.34Å; G167-C169 PolarHBondContact O-N 3.33Å; C169-Q171 VanDerWaalsContact C-N 3.34Å; C169-A172 PolarHBondContact O-N 3.47Å; C169-L173 WeakPolarHBondContact O-CB 2.9Å; C169-L173 WeakPolarHBondContact O-CG 3.04Å; C169-L173 PolarHBondContact O-N 3.49Å
170V86.3Confident78.4Confident38 Ų3860 Ų6023%0.2335%0.353CS..Hα-helixtrans-61.4-45.4174.1177.20000110A161 A162 H166 G167 L173 T174A161-V170 HydrophobicContact CB-CG2 3.9Å; A162-V170 HydrophobicContact CB-CG2 4.31Å; H166-V170 PolarHBondContact O-N 2.84Å; G167-V170 PolarHBondContact O-N 3.44Å; V170-L173 CarbonylContact O-C 3.55Å; V170-L173 PolarHBondContact O-N 2.94Å; V170-T174 HydrophobicContact CG1-CG2 3.97Å; V170-T174 VanDerWaalsContact O-CB 3.26Å; V170-T174 WeakPolarHBondContact O-CB 3.27Å; V170-T174 VanDerWaalsContact O-CG2 3.27Å; V170-T174 WeakPolarHBondContact O-CG2 3.26Å; V170-T174 PolarHBondContact O-N 3.19Å; V170-T174 PolarHBondContact O-OG1 3.03Å
171Q85.1Confident76.5Confident140 Ų14059.6 Ų59.665%0.65435%0.353SS*.Hα-helixtrans-62.4-42.4175.6-73.4179.5000112.5G167 T168 C169 L173 T174 G175G167-Q171 WeakPolarHBondContact O-CG 3.44Å; G167-Q171 PolarHBondContact O-N 3.38Å; T168-Q171 PolarHBondContact O-N 3.47Å; C169-Q171 VanDerWaalsContact C-N 3.34Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; Q171-L173 PolarHBondContact O-N 3.09Å; Q171-T174 PolarHBondContact O-N 3.34Å; Q171-G175 VanDerWaalsContact O-CA 3.25Å; Q171-G175 WeakPolarHBondContact O-CA 3.17Å; Q171-G175 PolarHBondContact O-N 3.33Å
172A85.2Confident74.4Confident1 Ų161.2 Ų61.21%0.00837%0.366CS..Hα-helixtrans-61.3-38.3175.200000112.6L133 E134 T168 C169L133-A172 HydrophobicContact CB-CB 4.32Å; L133-A172 HydrophobicContact CD2-CB 4.23Å; L133-A172 HydrophobicContact CG-CB 4.39Å; E134-A172 HydrophobicContact CG-CB 3.52Å; T168-A172 WeakPolarHBondContact O-CB 3.48Å; T168-A172 PolarHBondContact O-N 3.37Å; C169-A172 PolarHBondContact O-N 3.47Å
173L81.8Confident72.5Confident3 Ų361 Ų612%0.01637%0.365CS..Hα-helixtrans-85.4-16.3179.6-70.4173.7000115.1V121 A125 L133 V137 L147 A157 L158 C169 V170 Q171 G178V121-L173 HydrophobicContact CG1-CD2 4.5Å; A125-L173 HydrophobicContact CB-CD1 4.18Å; L133-L173 HydrophobicContact CD1-CD2 4.12Å; L133-L173 HydrophobicContact CD2-CD1 3.78Å; L133-L173 HydrophobicContact CD2-CD2 3.98Å; L133-L173 HydrophobicContact CD2-CG 3.51Å; L133-L173 HydrophobicContact CG-CD2 4.01Å; L133-L173 HydrophobicContact CG-CG 4.08Å; V137-L173 HydrophobicContact CG2-CD2 4.24Å; L147-L173 HydrophobicContact CD1-CD2 4.04Å; L147-L173 HydrophobicContact CD2-CD2 3.89Å; A157-L173 HydrophobicContact CB-CD1 4.12Å; L158-L173 HydrophobicContact CB-CD1 4.25Å; C169-L173 WeakPolarHBondContact O-CB 2.9Å; C169-L173 WeakPolarHBondContact O-CG 3.04Å; C169-L173 PolarHBondContact O-N 3.49Å; V170-L173 CarbonylContact O-C 3.55Å; V170-L173 PolarHBondContact O-N 2.94Å; Q171-L173 VanDerWaalsContact C-N 3.3Å; Q171-L173 PolarHBondContact O-N 3.09Å; L173-G178 CarbonylContact O-C 3.38Å; L173-G178 WeakPolarHBondContact O-CA 3.25Å
174T80.8Confident70.4Confident47 Ų4758.6 Ų58.629%0.28834%0.344SS..Hα-helixtrans-112.3-13.2-179.858.20000113.1L158 V170 Q171 R179 A182L158-T174 HydrophobicContact CD1-CG2 3.48Å; L158-T174 VanDerWaalsContact CD1-CG2 3.48Å; V170-T174 HydrophobicContact CG1-CG2 3.97Å; V170-T174 VanDerWaalsContact O-CB 3.26Å; V170-T174 WeakPolarHBondContact O-CB 3.27Å; V170-T174 VanDerWaalsContact O-CG2 3.27Å; V170-T174 WeakPolarHBondContact O-CG2 3.26Å; V170-T174 PolarHBondContact O-N 3.19Å; V170-T174 PolarHBondContact O-OG1 3.03Å; Q171-T174 PolarHBondContact O-N 3.34Å; T174-R179 WeakPolarHBondContact O-CG 3.42Å; T174-A182 HydrophobicContact CG2-CB 4.28Å
175G71.3Confident68.5Low14 Ų1453 Ų5314%0.14433%0.328CS..SBendtrans-62.2-166.7-179.500000113.3Q171 W177 G178 R179Q171-G175 VanDerWaalsContact O-CA 3.25Å; Q171-G175 WeakPolarHBondContact O-CA 3.17Å; Q171-G175 PolarHBondContact O-N 3.33Å; G175-W177 PolarHBondContact O-N 3.18Å; G175-G178 PolarHBondContact O-N 2.86Å; G175-R179 PolarHBondContact O-N 3.35Å
176P62.7Low66.6Low87 Ų8753.4 Ų53.457%0.56533%0.325SS*.THydrogen-bonded Turntrans-49.1-26.1-174.9-23.228.3000114.6
177W60.6Low64.4Low115 Ų11560.3 Ų60.344%0.43635%0.349SS..THydrogen-bonded Turntrans-99.6-9.6-175-43-74.9000113.8V137 G175V137-W177 HydrophobicContact CG1-CB 3.62Å; G175-W177 PolarHBondContact O-N 3.18Å
178G55.8Low62.4Low1 Ų161.2 Ų61.21%0.0136%0.358CS..THydrogen-bonded Turntrans-119.9-6.1-169.400000116.1L173 G175 A180 A181 A182L173-G178 CarbonylContact O-C 3.38Å; L173-G178 WeakPolarHBondContact O-CA 3.25Å; G175-G178 PolarHBondContact O-N 2.86Å; G178-A180 PolarHBondContact O-N 2.75Å; G178-A181 PolarHBondContact O-N 3.39Å; G178-A182 PolarHBondContact O-N 2.8Å
179R53.9Low60.2Low182 Ų18261 Ų6169%0.68736%0.361SS*.Hα-helixtrans-55.4-23.4176.1-67.1-175.5-146.5-147.23.6114.3T174 G175T174-R179 WeakPolarHBondContact O-CG 3.42Å; G175-R179 PolarHBondContact O-N 3.35Å
180A50Low57.9Low88 Ų8868.1 Ų68.173%0.72740%0.398SS*.Hα-helixtrans-68.9-34.3173.100000112.9G178G178-A180 PolarHBondContact O-N 2.75Å
181A46.8Very low55.5Low13 Ų1371.7 Ų71.711%0.10743%0.425CS..Hα-helixtrans-82.9-36.2179.500000112.3L147 D148 G178 A183 A184 A185L147-A181 HydrophobicContact CB-CB 3.79Å; L147-A181 HydrophobicContact CD1-CB 4.07Å; D148-A181 WeakPolarHBondContact OD1-CA 3.33Å; G178-A181 PolarHBondContact O-N 3.39Å; A181-A183 VanDerWaalsContact C-N 3.29Å; A181-A183 PolarHBondContact O-N 2.81Å; A181-A184 WeakPolarHBondContact O-CB 3.44Å; A181-A184 PolarHBondContact O-N 3.4Å; A181-A185 PolarHBondContact O-N 2.94Å
182A45.4Very low53Low34 Ų3472.4 Ų72.428%0.28143%0.433SS..Hα-helixtrans-61.6-35.217700000112.9T174 G178 A184 A185 A186T174-A182 HydrophobicContact CG2-CB 4.28Å; G178-A182 PolarHBondContact O-N 2.8Å; A182-A184 PolarHBondContact O-N 3.25Å; A182-A185 PolarHBondContact O-N 2.86Å; A182-A186 PolarHBondContact O-N 3.27Å
183A47.2Very low50.8Low52 Ų5277.9 Ų77.943%0.4347%0.472SS..Hα-helixtrans-69.2-12.6175.600000114A181 R187A181-A183 VanDerWaalsContact C-N 3.29Å; A181-A183 PolarHBondContact O-N 2.81Å; A183-R187 PolarHBondContact O-NE 3.03Å; A183-R187 PolarHBondContact O-NH2 3.47Å
184A44.3Very low48.7Very low32 Ų3283.5 Ų83.526%0.26451%0.509SS..Hα-helixtrans-94.2-36.6172.700000111.7A181 A182 A186 R187 G188A181-A184 WeakPolarHBondContact O-CB 3.44Å; A181-A184 PolarHBondContact O-N 3.4Å; A182-A184 PolarHBondContact O-N 3.25Å; A184-A186 VanDerWaalsContact C-N 3.3Å; A184-A186 PolarHBondContact O-N 2.93Å; A184-R187 WeakPolarHBondContact O-CB 3.42Å; A184-R187 PolarHBondContact O-N 3.33Å; A184-G188 PolarHBondContact O-N 3.04Å
185A46.2Very low46.9Very low23 Ų2387.1 Ų87.119%0.1953%0.533CS..Hα-helixtrans-60.3-37.8176.400000112.7L158 A181 A182 R187 G188L158-A185 HydrophobicContact CD2-CB 4.36Å; A181-A185 PolarHBondContact O-N 2.94Å; A182-A185 PolarHBondContact O-N 2.86Å; A185-R187 PolarHBondContact O-N 3.47Å; A185-R187 VanDerWaalsContact O-N 3.16Å; A185-G188 PolarHBondContact O-N 3.03Å; A185-G188 VanDerWaalsContact O-N 3.11Å
186A47.3Very low44.8Very low73 Ų7389.5 Ų89.560%0.60356%0.557SS**THydrogen-bonded Turntrans-65.7-11.9174.200000114.2A182 A184A182-A186 PolarHBondContact O-N 3.27Å; A184-A186 VanDerWaalsContact C-N 3.3Å; A184-A186 PolarHBondContact O-N 2.93Å
187R42.9Very low43.3Very low199 Ų19994.2 Ų94.275%0.75157%0.571SS**THydrogen-bonded Turntrans-97.7-9.8175.2-71.7-177.2-91.8-178.6-4.3113.4A183 A184 A185A183-R187 PolarHBondContact O-NE 3.03Å; A183-R187 PolarHBondContact O-NH2 3.47Å; A184-R187 WeakPolarHBondContact O-CB 3.42Å; A184-R187 PolarHBondContact O-N 3.33Å; A185-R187 PolarHBondContact O-N 3.47Å; A185-R187 VanDerWaalsContact O-N 3.16Å
188G44.9Very low42.2Very low61 Ų6194.2 Ų94.263%0.62959%0.586SS**SBendtrans-97.5-4.3-17800000114.9A184 A185A184-G188 PolarHBondContact O-N 3.04Å; A185-G188 PolarHBondContact O-N 3.03Å; A185-G188 VanDerWaalsContact O-N 3.11Å
189S40.7Very low41.1Very low79 Ų7998.8 Ų98.855%0.55262%0.624SS**  trans-113.534.3-174.860.60000113.6
190N36.1Very low39.9Very low148 Ų14896.2 Ų96.279%0.79163%0.631SS**  trans-111.275.3165-80.111.8000108.8D192N190-D192 VanDerWaalsContact C-N 3.32Å
191S37.3Very low39Very low114 Ų11496.7 Ų96.780%0.79763%0.634SS**  trans-96.467.4156.960.40000108.4
192D32.5Very low38.6Very low154 Ų154101.7 Ų101.782%0.82467%0.666SS**  trans-136.3101.9163-85.9-34.5000107N190N190-D192 VanDerWaalsContact C-N 3.32Å
193S37.8Very low37.8Very low117 Ų117105.8 Ų105.882%0.81869%0.693SS**  trans-94.6136156.3-65.20000106.8
194P38.4Very low37.3Very low121 Ų121109 Ų10979%0.78671%0.709SS**  -155.8-165.596.738.8-17.6000113.5
195P42.8Very low37Very low123 Ų123116.7 Ų116.780%0.79974%0.739SS**  -121.3164.3-67.436.5-21.9000113.4
196G26.9Very low36.2Very low63 Ų63127.3 Ų127.365%0.64978%0.775SS**  trans90.594.4141.100000121.4
197H31.7Very low35.4Very low186 Ų186135.3 Ų135.386%0.86179%0.789SS**  trans74.3154.8142.9-60.4-70.7000122
198P37.4Very low35Very low115 Ų115137.3 Ų137.375%0.74780%0.797SS**  cis-125.9171.4-4235.1-18.5000112.5
199A32.1Very low34.4Very low97 Ų97140.5 Ų140.580%0.80281%0.807SS**PPolyproline II helixtrans-56.4149.1-177.100000115.6
200P29.2Very low34.5Very low129 Ų129141.6 Ų141.684%0.83881%0.814SS**PPolyproline II helixtrans-102.2137.6146.332.8-26.1000111.3
201A30.3Very low34.7Very low97 Ų97140.5 Ų140.580%0.80282%0.815SS**PPolyproline II helixtrans-66.9165.6-179.700000113.5
202P40.2Very low35Very low119 Ų119146.8 Ų146.877%0.77382%0.821SS**PPolyproline II helixtrans-98.4146.5-160.336.8-30.8000113.8
203S27.4Very low35.9Very low120 Ų120150.4 Ų150.484%0.83982%0.823SS**  trans-175.5157.9159.2-79.90000111.4
204P37.3Very low36.5Very low119 Ų119151.6 Ų151.677%0.77382%0.82SS**  -120.1168.1-5830.4-12.7000111.8R206P204-R206 PolarHBondContact O-N 3.23Å
205E37.6Very low37.2Very low193 Ų193149.9 Ų149.990%0.90281%0.809SS**  trans-28.9113.1179.9-63.5172.4118.100117.3
206R30.2Very low37.7Very low247 Ų247154.4 Ų154.493%0.93281%0.81SS**  trans-100.3111.8152.5-102-179.3-179.6-102.91.2109.9P204P204-R206 PolarHBondContact O-N 3.23Å
207R30Very low39Very low241 Ų241156.5 Ų156.591%0.90981%0.812SS**  trans-39.6127.5179.2-65.1173.8173.1-163.2-3.2113.6
208R34.8Very low39.8Very low240 Ų240153 Ų15391%0.90680%0.799SS**PPolyproline II helixtrans-59138.2163-61.4178.2179.2-175.4-0.6109.6S210R208-S210 PolarHBondContact O-N 3.15Å
209P32.2Very low40.5Very low129 Ų129153.8 Ų153.884%0.83880%0.796SS**PPolyproline II helixtrans-73.3124.3169.328.4-29.2000109.7
210S42.8Very low41.3Very low102 Ų102153 Ų15371%0.71379%0.789SS**PPolyproline II helixtrans-62.4152.2173.949.40000112.6R208R208-S210 PolarHBondContact O-N 3.15Å
211P39.2Very low42.3Very low125 Ų125157.4 Ų157.481%0.81279%0.79SS**PPolyproline II helixtrans-65136.6174.228.1-33.2000110.6R213P211-R213 PolarHBondContact O-N 3.44Å
212R43.4Very low43.1Very low246 Ų246161.6 Ų161.693%0.92879%0.79SS**PPolyproline II helixtrans-57.4117.6-177.9-66.7179173.4-149.7-2.1110.6
213R52.4Low43.3Very low230 Ų230160.1 Ų160.187%0.86879%0.788SS**PPolyproline II helixtrans-62.8127.7166.3-108.2176.7-141.3-98.91.2109P211P211-R213 PolarHBondContact O-N 3.44Å
214L50.2Low44.1Very low141 Ų141166.1 Ų166.174%0.73879%0.792SS**PPolyproline II helixtrans-64.5145.9165.7-69.9165.3000110
215P52.6Low44.4Very low85 Ų85165 Ų16555%0.55279%0.793SS**PPolyproline II helixtrans-67.9139.4-178.326.8-33000112P217 L218P215-P217 VanDerWaalsContact O-CD 3.28Å; P215-P217 WeakPolarHBondContact O-CD 3.37Å; P215-L218 PolarHBondContact O-N 2.87Å
216R53.3Low44.7Very low218 Ų218161 Ų16182%0.82379%0.792SS**G310 helixtrans-57.7-18.9-171.5-76.4176.9158167-7118.4L218R216-L218 VanDerWaalsContact C-N 3.27Å; R216-L218 PolarHBondContact O-N 3.26Å
217P55.3Low44.9Very low107 Ų107153.2 Ų153.270%0.69579%0.789SS**G310 helixtrans-70.6-17.9177.5-17.830.8000114.7P215P215-P217 VanDerWaalsContact O-CD 3.28Å; P215-P217 WeakPolarHBondContact O-CD 3.37Å
218L48.8Very low45Very low112 Ų112144.8 Ų144.859%0.58678%0.778SS**G310 helixtrans-89.2-14.9-176.4-79.8167.2000114.5P215 R216P215-L218 PolarHBondContact O-N 2.87Å; R216-L218 VanDerWaalsContact C-N 3.27Å; R216-L218 PolarHBondContact O-N 3.26Å
219L50.4Low45Very low132 Ų132143 Ų14369%0.69178%0.78SS**THydrogen-bonded Turntrans-81.2-20.2177.6-119.1103.4000113.3R221L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 3.02Å
220A49Very low45Very low80 Ų80140 Ų14066%0.66177%0.772SS**THydrogen-bonded Turntrans-76.9-16.7-178.700000113.6
221R50.3Low44.5Very low223 Ų223144.9 Ų144.984%0.84278%0.783SS**THydrogen-bonded Turntrans-89.8-9.9179.2-110.3171.567171.91114.7L219L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 3.02Å
222F47.4Very low44.1Very low184 Ų184142.4 Ų142.481%0.80778%0.78SS**SBendtrans-105.9-4.7178.1-81.4-80.7000114
223A45.1Very low43.5Very low88 Ų88134.7 Ų134.773%0.72778%0.777SS**SBendtrans-957-175.900000115.3
224R44.1Very low42.4Very low246 Ų246133.2 Ų133.293%0.92878%0.78SS**SBendtrans-116.618.8-178.5-158.5168.6168153-2.4114.8
225A43.5Very low41.5Very low97 Ų97131.7 Ų131.780%0.80279%0.788SS**SBendtrans-123.810.9-177.700000115.5
226A42.7Very low40.4Very low107 Ų107131.6 Ų131.688%0.88480%0.802SS**  trans-143.691.1175.600000111.3
227G35.4Very low39.4Very low84 Ų84129.7 Ų129.787%0.86681%0.807SS**  trans-156.5106.2168.900000110.3
228G32Very low38.3Very low65 Ų65129.4 Ų129.467%0.6781%0.814SS**  trans157.5104.5164.500000115.9
229H34.2Very low37.4Very low203 Ų203127.4 Ų127.494%0.9482%0.82SS**  trans72.6129156.9-66.660000117.5
230G32.2Very low36.6Very low65 Ų65130.6 Ų130.667%0.6783%0.829SS**  cis12694.311.900000110.1
231H32.5Very low35.7Very low205 Ų205133.9 Ų133.995%0.94984%0.835SS**  trans173.9140.7163.7-98.5-52.9000106.9
232G30.3Very low34.8Very low72 Ų72129 Ų12974%0.74284%0.836SS**  cis-179.3121-200000103.6
233G31.1Very low34Very low85 Ų85123.8 Ų123.888%0.87683%0.833SS**  trans-98.2112.5-175.900000111.2
234E30.1Very low33.3Very low199 Ų199130.5 Ų130.593%0.9384%0.84SS**  trans-90.9125.4158-77.8-166.4114.300109.3
235A31.4Very low32.8Very low109 Ų109128.2 Ų128.290%0.90184%0.839SS**  trans164.2110.9138.600000109.4
236G30.1Very low32.1Very low83 Ų83134.1 Ų134.186%0.85684%0.841SS**  trans-154.897.8169.700000110.1
237L31.7Very low31.5Very low177 Ų177133.3 Ų133.393%0.92783%0.834SS**  trans-93.1138.2168.1-92.4163.3000110.1
238A31.4Very low31.2Very low101 Ų101138.1 Ų138.184%0.83583%0.834SS**  trans75.4113151.200000120.1
239G30.8Very low31.1Very low70 Ų70138.1 Ų138.172%0.72283%0.834SS**  130.799.6110.900000119.3
240K33.5Very low30.9Very low199 Ų199133.8 Ų133.887%0.86583%0.826SS**  trans88.6138.4135.8-65176.7174.4178.80122.1
241N30.4Very low30.7Very low149 Ų149139.5 Ų139.580%0.79784%0.836SS**  trans79.6106.3157.3-71.61.4000117.8
242S31.4Very low30.7Very low122 Ų122141.1 Ų141.185%0.85383%0.834SS**  80.5116.572.9-176.90000112.3
243G31Very low31.8Very low74 Ų74142.9 Ų142.976%0.76383%0.832SS**  trans158.2101.8169.300000113.8
244R29.9Very low31.8Very low229 Ų229147 Ų14786%0.86483%0.828SS**  trans-39.9147.6171.9-67.6163.8170176.8-4114.3
245H33.5Very low32.1Very low197 Ų197145.8 Ų145.891%0.91283%0.827SS**  -173.7158.1112.4-93.2-70.7000111.2
246R29.6Very low32Very low221 Ų221143.8 Ų143.883%0.83482%0.817SS**  trans-117.9138.3-155.7164.7-171.7-176.9163.61.7109.5
247A29.5Very low32.2Very low90 Ų90151.1 Ų151.174%0.74482%0.819SS**  trans171.1110.514800000107.9
248Q29.7Very low32Very low186 Ų186147.6 Ų147.687%0.86981%0.809SS**  76131.583.3-80.6-166.64.900115.5
249G29Very low31.9Very low65 Ų65151.2 Ų151.267%0.6781%0.811SS**  trans120.692.6167.300000112
250S29.3Very low31.9Very low111 Ų111152 Ų15278%0.77681%0.806SS**  50.812183.775.80000110.7
251E29.6Very low31.9Very low185 Ų185150.9 Ų150.986%0.86481%0.808SS**  cis-165.6154.743.8-68.2177.1124.400110
252R31.4Very low32.1Very low240 Ų240147.4 Ų147.491%0.90680%0.8SS**  trans-98.4176.1149.2-84.1-176.2169.1-166.2-2.3106.5
253P54.3Low32.1Very low109 Ų109150.3 Ų150.371%0.70881%0.805SS**  cis-139.3-154.7-5.227.9-1.1000113.2
254E31.2Very low32.2Very low170 Ų170150.8 Ų150.879%0.79481%0.81SS**  trans105112.9156.7-54.2-160172.300116.4
255L35.3Very low32.5Very low175 Ų175144.1 Ų144.192%0.91680%0.804SS**  67.1117.767.6-73.7177.1000114.7
256G30.1Very low32.7Very low67 Ų67141.4 Ų141.469%0.69180%0.801SS**  trans152.692167.300000111.3
257R32.9Very low33.3Very low237 Ų237136.5 Ų136.589%0.89480%0.795SS**  56.5107.8101.5-79.2-176.6171.4162.4-2.6113.3
258S29Very low34.2Very low103 Ų103141.2 Ų141.272%0.7280%0.802SS**  101.7142.678.2-67.90000111.3
259M29.6Very low34.9Very low176 Ų176140.5 Ų140.587%0.86780%0.799SS**  trans89.2140.6165.4-57.1-112.4-49.800116.5
260S30.6Very low35.7Very low88 Ų88146.4 Ų146.462%0.61581%0.809SS**  cis176.7162.4-13.1-89.90000105.3
261L33.6Very low36.2Very low174 Ų174145.8 Ų145.891%0.91181%0.81SS**  trans90132168.2-55.4161000115.3
262A33.2Very low36.9Very low76 Ų76141.4 Ų141.463%0.62881%0.806SS**  cis-169.6145.7000000111
263L31.5Very low37.5Very low184 Ų184141 Ų14196%0.96381%0.805SS**  trans59.2123.3144-83.4121.1000122.8
264G34.5Very low37Very low83 Ų83144.3 Ų144.386%0.85682%0.815SS**  trans164.877.415600000113
265A34.9Very low37.5Very low90 Ų90147.8 Ų147.874%0.74482%0.821SS**  trans-107.7136-179.800000112.2
266V37.6Very low37.6Very low140 Ų140144.6 Ų144.685%0.84882%0.82SS**  trans-166.386.6151.6-111.50000106.4
267T42.5Very low37.8Very low117 Ų117145.4 Ų145.472%0.71883%0.829SS**  69.6117.691.859.50000116E269T267-E269 PolarHBondContact O-N 3.48Å
268E48.1Very low37.7Very low190 Ų190138.3 Ų138.389%0.88882%0.821SS**  trans-59.5100.6170.4-62.4-177.2136.300112.3
269E44Very low37.9Very low171 Ų171140.8 Ų140.880%0.79983%0.825SS**  trans-135.617.1171.5-145175.5169.900114.3T267T267-E269 PolarHBondContact O-N 3.48Å
270E46.1Very low38.2Very low188 Ų188140.5 Ų140.588%0.87982%0.824SS**SBendtrans-124.9-4.2175.5-73.2-177.2146.900114.1A272E270-A272 VanDerWaalsContact C-N 3.28Å; E270-A272 PolarHBondContact O-N 2.62Å
271A40.2Very low38.3Very low98 Ų98140.8 Ų140.881%0.8183%0.832SS**THydrogen-bonded Turntrans-81.22.2178.700000114.6
272A43.6Very low38.4Very low94 Ų94140.4 Ų140.478%0.77783%0.829SS**THydrogen-bonded Turntrans-115.26.5-170.700000116.2E270E270-A272 VanDerWaalsContact C-N 3.28Å; E270-A272 PolarHBondContact O-N 2.62Å
273R45.7Very low39.2Very low231 Ų231142 Ų14287%0.87283%0.834SS**SBendtrans-106.913.2-169.5-93.2-175.3170.6-171.4-0.8118.8
274L42.5Very low39.2Very low178 Ų178140.7 Ų140.793%0.93283%0.827SS**SBendtrans-132.435.9174.9-75171.8000114.9
275R43.1Very low39.2Very low243 Ų243141.6 Ų141.692%0.91782%0.821SS**SBendtrans-144.675.3165.7-71.1-172.2-177.81691.8112
276A35.9Very low39.5Very low108 Ų108142.8 Ų142.889%0.89382%0.821SS**  trans167.8127.714900000109.3
277G34.8Very low39.3Very low85 Ų85145.1 Ų145.188%0.87682%0.823SS**  trans-179.768.6176.400000112.5
278A31Very low38.7Very low88 Ų88145.4 Ų145.473%0.72783%0.829SS**  trans-127.5128.6165.600000109.8
279L32.9Very low38Very low155 Ų155141.9 Ų141.981%0.81283%0.826SS**  trans86.7137.5148.1-86.4143.9000123.5
280M36.2Very low37.3Very low169 Ų169137.5 Ų137.583%0.83383%0.826SS**  trans94.4135.1159.5-53.4-51.6-120.700117.1
281A31.5Very low36.9Very low95 Ų95135.7 Ų135.779%0.78583%0.828SS**  cis-167.1165.6-3.300000110.4
282L36Very low36.5Very low165 Ų165135 Ų13586%0.86483%0.831SS**  trans-57.9-177.8173.7-82.3155.6000115.4
283P49.8Very low35.9Very low110 Ų110141.2 Ų141.271%0.71483%0.834SS**  cis-145.9165.420.540.8-19.8000119.3
284N32.4Very low35.1Very low156 Ų156142.5 Ų142.583%0.83484%0.839SS**  -176.6147.7116.5-120.2-12.6000112.9
285S33.9Very low34.6Very low102 Ų102144.9 Ų144.971%0.71384%0.836SS**  trans-93.7172.8-177.553.60000112.5
286P42.1Very low34.3Very low116 Ų116138.8 Ų138.875%0.75383%0.831SS**  -144.8151.182.133.8-13.7000117.7
287Q33.7Very low34Very low189 Ų189142.4 Ų142.488%0.88383%0.829SS**  trans35.6122.7142.1-59.3-178.7-5.400122.9
288S28.7Very low34Very low122 Ų122146.8 Ų146.885%0.85383%0.827SS**  -178.5147.6111-1780000111.5
289S33.9Very low34.1Very low117 Ų117149 Ų14982%0.81883%0.831SS**  trans-78.2156.5-15850.30000118.2
290G29Very low34.1Very low78 Ų78148.5 Ų148.580%0.80483%0.828SS**  trans174.7100.7158.900000113.7
291T38Very low33.8Very low151 Ų151149 Ų14993%0.92683%0.829SS**  trans-73.3148.7-17248.40000115.4
292G31.7Very low33.7Very low84 Ų84148.3 Ų148.387%0.86683%0.83SS**  trans-175.783166.900000113.5
293R31.1Very low33.5Very low223 Ų223145 Ų14584%0.84283%0.827SS**  trans-89.5128.4-174.3174.5-169.6-163.8-155.35111.1
294W28.7Very low34Very low258 Ų258145.4 Ų145.498%0.97783%0.829SS**  trans-149.8120.4143.5-74.6101.9000110.1
295R32Very low35Very low228 Ų228143.1 Ų143.186%0.8682%0.823SS**  trans-104.3141.2169.6-88.3-172.4175.5-177.7-1.4108.4
296S36.2Very low34.9Very low116 Ų116143.7 Ų143.781%0.81182%0.823SS**  trans-67.7149.6160.8-41.90000111.3
297Q30.3Very low34.4Very low183 Ų183145.7 Ų145.786%0.85583%0.826SS**  trans-156.8141.2149.3-152.8142.8-7.800112.6
298E35.7Very low34.5Very low177 Ų177142.2 Ų142.283%0.82782%0.818SS**  trans-77.6-172.4177-60.9172.8120.100113.3
299V32.2Very low34.7Very low136 Ų136145.2 Ų145.282%0.82482%0.818SS**  trans100.7136.5162.5-175.30000112.8
300L32.5Very low34.8Very low144 Ų144143.9 Ų143.975%0.75481%0.814SS**  cis177160.1-15.7-176.172.4000103.7
301E31Very low35.9Very low180 Ų180145.3 Ų145.384%0.84181%0.809SS**  trans92.8130.4158.9-54.2-169.6144.300121
302G29.2Very low35.8Very low79 Ų79145.9 Ų145.981%0.81481%0.805SS**  trans109.496.8130.800000118.9
303A31.7Very low35.8Very low96 Ų96145 Ų14579%0.79380%0.796SS**  trans-86-176.4160.300000111.4
304P60.1Low35.9Very low118 Ų118142.4 Ų142.477%0.76680%0.798SS**  -118.4-169.8-66.741.8-26.8000110.2
305P52.7Low36.2Very low109 Ų109135.1 Ų135.171%0.70879%0.786SS**  -157.9160.879.642.9-21.2000118.4
306T31.7Very low37.4Very low114 Ų114129 Ų12970%0.69978%0.776SS**  trans57.5127.9139.248.80000125.3
307L32.8Very low37.3Very low157 Ų157131.6 Ų131.682%0.82278%0.775SS**  trans64.3123.3136.2-64.5163.2000116.9
308V34.9Very low38.5Very low117 Ų117128 Ų12871%0.70977%0.768SS**  -168131.779.4156.50000110.9
309Q32.9Very low38.7Very low185 Ų185128.9 Ų128.986%0.86477%0.772SS**  trans47.8123147.4-66168.7-2300122.7
310A36Very low38.7Very low89 Ų89126.2 Ų126.274%0.73677%0.771SS**  trans-73.3175.9156.500000110.9
311P51.8Low38.7Very low107 Ų107122.9 Ų122.970%0.69577%0.772SS**  -157.4167.366.241.4-18.7000119.1
312I37.2Very low39.7Very low163 Ų163121.1 Ų121.184%0.83678%0.776SS**  trans70.9126.9151.7-58.3144.2000118
313G32Very low40Very low66 Ų66121 Ų12168%0.6878%0.776SS**  cis-176.7164.66.400000116.7
314L33.3Very low40.3Very low169 Ų169123 Ų12389%0.88578%0.783SS**  trans69.578.1143.7-64.6162.4000119.4
315S33.7Very low39Very low105 Ų105121 Ų12173%0.73479%0.785SS**  trans-37.6-169.4130.2-36.90000115.5
316P57.7Low38.2Very low98 Ų98127.2 Ų127.264%0.63679%0.794SS**  cis-137.3-179.8-45.428.1-7.4000111.8
317H34.9Very low38.4Very low171 Ų171130.3 Ų130.379%0.79281%0.805SS**  170.3162.4120.6-99.8-54.9000113.1
318P53.6Low38.5Very low109 Ų109126 Ų12671%0.70880%0.8SS**  -132.2-164-129.736.7-11.4000113.3
319E40.5Very low38.4Very low195 Ų195128.6 Ų128.691%0.91181%0.808SS**  trans-52.5160.7177.1-52.7-160.6144.600117.4
320G32Very low38.5Very low79 Ų79130.8 Ų130.881%0.81481%0.808SS**  trans-179.4111.616000000113.7
321G33Very low38.6Very low75 Ų75137.1 Ų137.177%0.77381%0.814SS**  trans-76.9-172.6171.500000114.9
322P53Low37.8Very low142 Ų142142.7 Ų142.792%0.92282%0.821SS**  trans-100.9157.6-146.337.5-34.1000115.4
323G33.7Very low37.8Very low78 Ų78140.9 Ų140.980%0.80482%0.823SS**  trans-146.2138.5174.200000112.6
324S37.8Very low38.2Very low136 Ų136144.1 Ų144.195%0.95183%0.829SS**  trans-59153.3-178.1-79.70000115.3
325G33.1Very low38.6Very low78 Ų78140.4 Ų140.480%0.80482%0.823SS**  trans179.7119.2161.600000115
326R36.3Very low39.6Very low239 Ų239140.5 Ų140.590%0.90282%0.821SS**  trans-68.9172173.8-104.1174.9159.9-159.1-2.7113.1
327L36.3Very low38.5Very low178 Ų178142.4 Ų142.493%0.93283%0.826SS**  trans97.7134.8164.6-51.9168.5000112.7
328G34.3Very low38.5Very low68 Ų68141 Ų14170%0.70182%0.823SS**  cis171.3143.1200000109.4
329L33.8Very low38.3Very low170 Ų170141.2 Ų141.289%0.8982%0.824SS**  trans47.6129.1143.1-67.7163.3000122.8
330R34Very low38.1Very low231 Ų231137.1 Ų137.187%0.87282%0.817SS**  trans127.9109.1135.2-72.9-174.3170.8-155.4-2.1112.6
331R38.5Very low38.2Very low223 Ų223141.4 Ų141.484%0.84282%0.82SS**  75.512679.9-94-162.7-171.5-89.42.3114.4
332R35.2Very low38.3Very low224 Ų224144.6 Ų144.685%0.84583%0.825SS**  trans100.999.2152.5-67.8176.7-176.4-117.31.9116.6
333S36.3Very low37.4Very low125 Ų125141.5 Ų141.587%0.87482%0.818SS**  trans-77.9132.8154-45.60000109.5
334T41.2Very low37.4Very low134 Ų134147 Ų14782%0.82282%0.823SS**  trans-138.2124.4162.540.20000107.4
335A40.6Very low37.5Very low91 Ų91144.8 Ų144.875%0.75281%0.813SS**  trans-65.6175.1168.300000111.4
336P54.9Low38.3Very low107 Ų107147.2 Ų147.270%0.69582%0.815SS**  -147.3150.381.422.73000116
337D34.8Very low38.1Very low138 Ų138139.3 Ų139.374%0.73881%0.807SS**  91.6109.7101.7-65.5-24.8000115.5
338I36.4Very low39.4Very low142 Ų142136.5 Ų136.573%0.72880%0.8SS**  77.5148.989.6-67.1169000113.4
339P48.7Very low39.3Very low113 Ų113141.9 Ų141.973%0.73481%0.807SS**  cis-131.1162.619.317.410.8000116.4
340S36.2Very low39.4Very low109 Ų109139.5 Ų139.576%0.76280%0.804SS**  78.7114.359.2-68.30000117.8
341L34.3Very low39.2Very low168 Ų168131.9 Ų131.988%0.8880%0.797SS**  trans-173.695.2155.2-101.9152.6000107.9
342V35.5Very low40.2Very low143 Ų143127 Ų12787%0.86780%0.795SS**  62.4123.891.4-176.20000115.4
343G32.8Very low40Very low76 Ų76124.6 Ų124.678%0.78479%0.793SS**  trans160.790.4160.200000115
344E34.7Very low40Very low193 Ų193125.8 Ų125.890%0.90279%0.789SS**  trans-69.1162.4-180-78.1168.599.100116.1
345A39.1Very low39.6Very low91 Ų91128.2 Ų128.275%0.75279%0.791SS**  trans-94.4165.2164.300000111.8
346P49.7Very low39.3Very low129 Ų129127.5 Ų127.584%0.83879%0.785SS**  -144.7158.9127.132-13.8000114.8
347G32.3Very low38.3Very low72 Ų72129.7 Ų129.774%0.74279%0.791SS**  trans-97.5-149.6167.800000112.4
348P63.5Low38.3Very low119 Ų119127.5 Ų127.577%0.77379%0.792SS**  cis-130.8-165.8-37.935.6-14.6000113.6
349E33.3Very low38.3Very low182 Ų182129.1 Ų129.185%0.8580%0.801SS**  trans83132.7171.4-46.8-165.6167.100115.8
350S34.7Very low38.3Very low119 Ų119129.1 Ų129.183%0.83280%0.801SS**  cis-174.9159.640.232.20000109.1
351G30.5Very low38.4Very low71 Ų71130.6 Ų130.673%0.73281%0.805SS**  trans-93.5-160.4170.800000112.7
352P60Low38.5Very low121 Ų121128.1 Ų128.179%0.78680%0.802SS**  cis-128.7-168.1-2334-12000113
353E29.8Very low39Very low174 Ų174127.1 Ų127.181%0.81380%0.796SS**  trans104.9146.2159-58.8-166.3121.300121.4
354L36Very low39.5Very low150 Ų150129.7 Ų129.779%0.78580%0.799SS**  trans87.695.1162.2-53.3177.5000116.8
355E33.6Very low39.6Very low184 Ų184123.4 Ų123.486%0.8679%0.786SS**  81.1116.186.9-91.1-112.9131.600112.9
356A33.8Very low40.1Very low77 Ų77124.9 Ų124.964%0.63679%0.788SS**  145.6119.3119.600000113.4
357N35Very low39.7Very low152 Ų152126.8 Ų126.881%0.81379%0.791SS**  trans77.4102.8135-66-26.9000121.3
358A34.1Very low40.4Very low93 Ų93127.9 Ų127.977%0.76979%0.785SS**  71.9113.8115.600000118.9
359L37.3Very low38.9Very low175 Ų175133.6 Ų133.692%0.91679%0.792SS**  trans-161.6153.6130-92.3-179.9000109.9
360P47.6Very low39.2Very low113 Ų113134.3 Ų134.373%0.73480%0.795SS**PPolyproline II helixtrans-93.9155.3-155.436.1-34.9000115.4
361V37.7Very low39.5Very low140 Ų140133.9 Ų133.985%0.84880%0.799SS**PPolyproline II helixtrans-75.7125.2172.5170.50000110.4
362S37.6Very low39.7Very low116 Ų116133.9 Ų133.981%0.81180%0.798SS**PPolyproline II helixtrans-84.6134.3166.4-79.10000111.5
363V46Very low38.6Very low122 Ų122135.1 Ų135.174%0.73980%0.804SS**PPolyproline II helixtrans-73.6160.2177.4176.90000111.4
364P43.4Very low39.2Very low130 Ų130135.7 Ų135.784%0.84481%0.807SS**  -127.1142.8125.527.1-12.9000112.8
365G36.6Very low39.3Very low62 Ų62132.8 Ų132.864%0.63980%0.804SS**  trans-85.6-166.6-159.600000117.5
366P50.3Low39.6Very low122 Ų122130.3 Ų130.379%0.79280%0.801SS**  trans-98.3146-159.136.5-31.9000113.9
367N40.5Very low39.7Very low169 Ų169132.5 Ų132.590%0.90481%0.806SS**  trans-78.2136.4165.1-79-12.8000110.4
368P46.9Very low40Very low95 Ų95133 Ų13362%0.61781%0.808SS**  trans-117.2158.3170.535.5-19.6000112.7
369W33.2Very low40.3Very low238 Ų238140.1 Ų140.190%0.90282%0.815SS**  trans79.496.7165.7-4492.4000117.7
370Q39.4Very low40.7Very low198 Ų198136.3 Ų136.393%0.92581%0.809SS**  -169.4122.993.8-95.3-174.2-0.900109.9
371A40.7Very low40.6Very low110 Ų110140 Ų14091%0.90982%0.816SS**  trans-108.7153.1169.900000109.2
372G34.6Very low40.8Very low70 Ų70148.4 Ų148.472%0.72283%0.833SS**  trans114.1130.1168.100000112
373T36.8Very low40.9Very low147 Ų147150 Ų15090%0.90283%0.834SS**  cis-168.5150.611.425.80000107
374E41.6Very low40.7Very low187 Ų187151.5 Ų151.587%0.87484%0.839SS**  trans-65.8161.6168.6-70.2-176.4130.900113.1
375A38.4Very low40.5Very low88 Ų88152.7 Ų152.773%0.72784%0.838SS**  trans90.5114.2144.900000121.1
376V40.9Very low40.8Very low132 Ų132158 Ų15880%0.885%0.85SS**  trans69.3121.6133.3-174.40000118.6
377V35.4Very low40.2Very low123 Ų123160.3 Ų160.375%0.74585%0.854SS**  177.6117.1121.3158.60000110.7
378L40.5Very low40.1Very low162 Ų162159.7 Ų159.785%0.84885%0.85SS**  trans39.4131.5142-61163.8000123.9
379R40.9Very low39.7Very low243 Ų243164.3 Ų164.392%0.91787%0.867SS**  trans-68130.5154.2-169.9-173.9-157.91664.2110.6
380A45.2Very low40.2Very low95 Ų95158.6 Ų158.679%0.78587%0.865SS**  trans-176.4147.6142.600000113.5
381Q45.7Very low40.2Very low190 Ų190155.3 Ų155.389%0.88886%0.859SS**  trans-30.4143.5162.9-64.9160.6-14.700113.7
382R41.8Very low40.2Very low317 Ų317159.5 Ų159.5100%1.19686%0.855SS**  -166.3063.9-158.8179.3-161.1177.34.2110.3

Retrieved 382 of 382 residues in 67.7 ms (Link to these results)

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