A0A096N915_PAPAN Loading...

Actin like 10

AlphaFold DB , UniProt , Accession A0A096N915, Species PAPAN (Papio anubis, Olive baboon), Gene ACTL10, Length 245 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
1M55.5Low88.5Confident193 Ų19337.8 Ų37.895%0.95122%0.22SC*.  0139.60-84.1-179.3-96.400109S3M1-S3 PolarHBondContact O-N 3.31Å
2A71.8Confident89Confident55 Ų5537.3 Ų37.346%0.45522%0.218SC..  trans-60.6127.6175.700000110.4T4 L7A2-T4 PolarHBondContact O-N 3.33Å; A2-L7 HydrophobicContact CB-CD1 4.2Å; A2-L7 HydrophobicContact CB-CD2 4.38Å; A2-L7 HydrophobicContact CB-CG 4.39Å
3S87.3Confident89.1Confident32 Ų3238.5 Ų38.522%0.22424%0.244CC..  trans-64.4128.1-180-178.40000110.4M1 A5 L6 L7 S37M1-S3 PolarHBondContact O-N 3.31Å; S3-A5 PolarHBondContact O-N 3.08Å; S3-L6 WeakPolarHBondContact O-CB 3.49Å; S3-L6 PolarHBondContact O-N 3.08Å; S3-L6 VanDerWaalsContact O-N 3.13Å; S3-L7 PolarHBondContact O-N 3.46Å; S3-L7 VanDerWaalsContact O-N 3.1Å; S3-S37 WeakPolarHBondContact CB-OG 3.23Å; S3-S37 PolarHBondContact OG-OG 2.92Å; S3-S37 VanDerWaalsContact OG-OG 3.05Å
4T93.7Very high89.3Confident60 Ų6037.2 Ų37.237%0.36824%0.238SC..Hα-helixtrans-57-35177.157.90000111.7A2 L7 A8 E21 V209A2-T4 PolarHBondContact O-N 3.33Å; T4-L7 PolarHBondContact O-N 3.32Å; T4-A8 WeakPolarHBondContact O-CB 3.32Å; T4-A8 PolarHBondContact O-N 3.17Å; T4-E21 WeakPolarHBondContact CB-OE2 3.37Å; T4-E21 PolarHBondContact OG1-OE2 2.86Å; T4-V209 HydrophobicContact CG2-CG1 4.13Å
5A94.8Very high89.5Confident0 Ų042 Ų420%025%0.254CS..Hα-helixtrans-63.4-46178.300000111.8S3 L7 A8 L9 A19 E21 T30 I32S3-A5 PolarHBondContact O-N 3.08Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.31Å; A5-A8 WeakPolarHBondContact O-CB 3.49Å; A5-A8 PolarHBondContact O-N 3.23Å; A5-L9 PolarHBondContact O-N 3.36Å; A5-L9 VanDerWaalsContact O-N 3.08Å; A5-A19 HydrophobicContact CB-CB 3.57Å; A5-E21 WeakPolarHBondContact CA-OE2 3.47Å; A5-E21 PolarHBondContact N-OE2 2.89Å; A5-T30 HydrophobicContact CB-CG2 3.62Å; A5-I32 HydrophobicContact CB-CD1 3.94Å; A5-I32 HydrophobicContact CB-CG1 4.29Å
6L94.7Very high89.9Confident35 Ų3541.1 Ų41.118%0.18325%0.25CC..Hα-helixtrans-60.1-46.2174.6175.263.2000110.7S3 A8 L9 C10 I32 G35S3-L6 WeakPolarHBondContact O-CB 3.49Å; S3-L6 PolarHBondContact O-N 3.08Å; S3-L6 VanDerWaalsContact O-N 3.13Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.1Å; L6-L9 WeakPolarHBondContact O-CB 3.31Å; L6-L9 PolarHBondContact O-N 3.49Å; L6-C10 PolarHBondContact O-N 2.86Å; L6-C10 PolarHBondContact O-SG 3.37Å; L6-I32 HydrophobicContact CB-CD1 4.3Å; L6-I32 HydrophobicContact CD1-CG2 3.8Å; L6-G35 WeakPolarHBondContact CD2-O 3.36Å
7L95.3Very high90.3Very high24 Ų2438.6 Ų38.613%0.12624%0.235CC..Hα-helixtrans-64.2-38.1178.7-60.8-177.2000112A2 S3 T4 A5 L9 C10 S11 V209 G212 V216A2-L7 HydrophobicContact CB-CD1 4.2Å; A2-L7 HydrophobicContact CB-CD2 4.38Å; A2-L7 HydrophobicContact CB-CG 4.39Å; S3-L7 PolarHBondContact O-N 3.46Å; S3-L7 VanDerWaalsContact O-N 3.1Å; T4-L7 PolarHBondContact O-N 3.32Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.31Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 2.89Å; L7-C10 PolarHBondContact O-N 3.49Å; L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 VanDerWaalsContact O-N 3.09Å; L7-V209 HydrophobicContact CB-CG1 4.08Å; L7-V209 HydrophobicContact CD1-CG1 4.11Å; L7-G212 WeakPolarHBondContact O-CA 3.42Å; L7-V216 HydrophobicContact CD2-CB 4.43Å; L7-V216 HydrophobicContact CD2-CG2 4.14Å
8A96.3Very high90.8Very high0 Ų036.5 Ų36.50%022%0.222CC..Hα-helixtrans-58.2-44.9173.700000111.5T4 A5 L6 S11 A166 V209T4-A8 WeakPolarHBondContact O-CB 3.32Å; T4-A8 PolarHBondContact O-N 3.17Å; A5-A8 WeakPolarHBondContact O-CB 3.49Å; A5-A8 PolarHBondContact O-N 3.23Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 3.1Å; A8-S11 WeakPolarHBondContact O-CB 3.25Å; A8-S11 PolarHBondContact O-N 3.31Å; A8-S11 PolarHBondContact O-OG 3.09Å; A8-A166 HydrophobicContact CB-CB 3.65Å; A8-V209 HydrophobicContact CB-CG2 4.26Å
9L95.6Very high91.2Very high0 Ų034.6 Ų34.60%021%0.21CC..Hα-helixtrans-65.2-41.5174-86.1141.7000112.9A5 L6 L7 S11 T12 G13 A14 A19 I32 T162 V164A5-L9 PolarHBondContact O-N 3.36Å; A5-L9 VanDerWaalsContact O-N 3.08Å; L6-L9 WeakPolarHBondContact O-CB 3.31Å; L6-L9 PolarHBondContact O-N 3.49Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 2.89Å; L9-S11 PolarHBondContact O-N 3.33Å; L9-S11 VanDerWaalsContact O-N 3.16Å; L9-T12 WeakPolarHBondContact O-CA 3.27Å; L9-T12 PolarHBondContact O-N 3.05Å; L9-T12 PolarHBondContact O-OG1 2.96Å; L9-G13 PolarHBondContact O-N 3Å; L9-A14 CarbonylContact C-O 3.14Å; L9-A14 HydrophobicContact CD2-CB 3.84Å; L9-A14 PolarHBondContact O-N 2.95Å; L9-A14 VanDerWaalsContact O-N 3.15Å; L9-A14 VanDerWaalsContact O-O 3.12Å; L9-A19 HydrophobicContact CD1-CB 3.99Å; L9-I32 HydrophobicContact CD1-CB 3.57Å; L9-I32 HydrophobicContact CD1-CG1 3.26Å; L9-I32 HydrophobicContact CD1-CG2 4.3Å; L9-T162 HydrophobicContact CD2-CG2 4.06Å; L9-V164 HydrophobicContact CD2-CB 4.49Å; L9-V164 HydrophobicContact CD2-CG2 3.69Å; L9-V164 HydrophobicContact CG-CB 4.31Å; L9-V164 HydrophobicContact CG-CG2 3.96Å
10C94.3Very high91.5Very high5 Ų532.9 Ų32.93%0.03420%0.2CC..Hα-helixtrans-57.9-33175.9-68.20000112L6 L7 T12 G13 A14 M215 V216L6-C10 PolarHBondContact O-N 2.86Å; L6-C10 PolarHBondContact O-SG 3.37Å; L7-C10 PolarHBondContact O-N 3.49Å; C10-T12 PolarHBondContact O-N 3.35Å; C10-G13 PolarHBondContact O-N 3.44Å; C10-A14 PolarHBondContact N-O 3.29Å; C10-M215 VanDerWaalsContact O-CE 3.27Å; C10-M215 WeakPolarHBondContact O-CE 3.49Å; C10-V216 HydrophobicContact CB-CG2 3.88Å
11S95Very high91.8Very high12 Ų1231.9 Ų31.98%0.08419%0.193CC..THydrogen-bonded Turntrans-64.1-19.3175.385.70000114L7 A8 L9 K202 A208L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 VanDerWaalsContact O-N 3.09Å; A8-S11 WeakPolarHBondContact O-CB 3.25Å; A8-S11 PolarHBondContact O-N 3.31Å; A8-S11 PolarHBondContact O-OG 3.09Å; L9-S11 PolarHBondContact O-N 3.33Å; L9-S11 VanDerWaalsContact O-N 3.16Å; S11-K202 PolarHBondContact O-NZ 3.33Å; S11-A208 WeakPolarHBondContact CB-O 3.28Å; S11-A208 WeakPolarHBondContact OG-CB 3.36Å
12T93.4Very high93.9Very high32 Ų3222.7 Ų22.720%0.19615%0.148CC..THydrogen-bonded Turntrans-95.7-4.3172.969.20000113.3L9 C10 A14 V164 V200 K202L9-T12 WeakPolarHBondContact O-CA 3.27Å; L9-T12 PolarHBondContact O-N 3.05Å; L9-T12 PolarHBondContact O-OG1 2.96Å; C10-T12 PolarHBondContact O-N 3.35Å; T12-A14 VanDerWaalsContact C-N 3.28Å; T12-V164 HydrophobicContact CG2-CB 4.46Å; T12-V164 HydrophobicContact CG2-CG1 3.73Å; T12-V164 HydrophobicContact CG2-CG2 3.84Å; T12-V200 HydrophobicContact CG2-CG1 3.82Å; T12-K202 HydrophobicContact CG2-CD 4.07Å; T12-K202 HydrophobicContact CG2-CG 4.37Å
13G91.1Very high95Very high53 Ų5321.1 Ų21.155%0.54614%0.137SC..THydrogen-bonded Turntrans809.3-172.500000113.3L9 C10L9-G13 PolarHBondContact O-N 3Å; C10-G13 PolarHBondContact O-N 3.44Å
14A92.3Very high95.4Very high20 Ų2022.7 Ų22.717%0.16515%0.152CC..  trans-100.2148.2-179.900000111.5L9 C10 T12 T162L9-A14 CarbonylContact C-O 3.14Å; L9-A14 HydrophobicContact CD2-CB 3.84Å; L9-A14 PolarHBondContact O-N 2.95Å; L9-A14 VanDerWaalsContact O-N 3.15Å; L9-A14 VanDerWaalsContact O-O 3.12Å; C10-A14 PolarHBondContact N-O 3.29Å; T12-A14 VanDerWaalsContact C-N 3.28Å; A14-T162 HydrophobicContact CB-CG2 3.98Å
15F91.8Very high95.5Very high109 Ų10922.6 Ų22.648%0.47816%0.163SC..SBendtrans-122.13.5174.5-63.1-81.6000112.7A34 G35F15-A34 PolarHBondContact O-N 3.32Å; F15-G35 PolarHBondContact O-N 3.49Å
16S95.8Very high95.6Very high27 Ų2724.7 Ų24.719%0.18918%0.176CC..SBendtrans-141.8139.7172-57.90000108.5I32 A34S16-I32 CarbonylContact C-O 3.53Å; S16-I32 VanDerWaalsContact CA-O 3.23Å; S16-I32 WeakPolarHBondContact CA-O 3.47Å; S16-A34 PolarHBondContact OG-N 3.09Å
17G97.6Very high95.7Very high0 Ų023 Ų230%017%0.167CC..EExtended strand (participates in β ladder)trans154-179.5-176.900000111.7I32 L159 T162G17-I32 PolarHBondContact N-O 3.16Å; G17-I32 PolarHBondContact O-N 2.91Å; G17-L159 VanDerWaalsContact N-CD2 3.3Å; G17-T162 CarbonylContact C-O 3.57Å; G17-T162 WeakPolarHBondContact CA-O 3.48Å
18L98.4Very high95.8Very high0 Ų023.3 Ų23.30%017%0.168CC..EExtended strand (participates in β ladder)trans-100.2118.9172-178.669.9000109.7V20 A29 P31 A144 A147 L148 L159 T162 V163 V164L18-V20 HydrophobicContact CD2-CG2 3.94Å; L18-V20 HydrophobicContact CG-CG2 4.05Å; L18-A29 HydrophobicContact CD1-CB 4.41Å; L18-P31 HydrophobicContact CD1-CB 4.23Å; L18-A144 HydrophobicContact CD2-CB 3.97Å; L18-A147 HydrophobicContact CD1-CB 3.72Å; L18-L148 HydrophobicContact CB-CD2 4.28Å; L18-L148 HydrophobicContact CD2-CD1 4.09Å; L18-L148 HydrophobicContact CD2-CD2 4.18Å; L18-L148 HydrophobicContact CD2-CG 3.92Å; L18-L159 PolarHBondContact N-O 2.79Å; L18-T162 PolarHBondContact N-O 3.45Å; L18-V163 HydrophobicContact CB-CG1 4.47Å; L18-V163 HydrophobicContact CB-CG2 4.25Å; L18-V163 HydrophobicContact CD2-CG1 4.17Å; L18-V163 HydrophobicContact CD2-CG2 4.34Å; L18-V163 CarbonylContact O-C 3.51Å; L18-V163 VanDerWaalsContact O-CA 3.29Å; L18-V163 WeakPolarHBondContact O-CA 3.12Å; L18-V164 PolarHBondContact O-N 3.07Å
19A98Very high95.9Very high0 Ų023.3 Ų23.30%017%0.168CC..EExtended strand (participates in β ladder)trans-88.2121.8168.800000109.9A5 L9 A29 T30A5-A19 HydrophobicContact CB-CB 3.57Å; L9-A19 HydrophobicContact CD1-CB 3.99Å; A19-A29 CarbonylContact O-C 3.45Å; A19-A29 WeakPolarHBondContact O-CA 3.27Å; A19-T30 PolarHBondContact N-O 3.34Å; A19-T30 PolarHBondContact O-N 3.46Å
20V98.3Very high96Very high0 Ų023.6 Ų23.60%017%0.169CC..EExtended strand (participates in β ladder)trans-109.7104.9172-179.10000107.9L18 A29 L140 A144 V163 V164 L165 A166 L179L18-V20 HydrophobicContact CD2-CG2 3.94Å; L18-V20 HydrophobicContact CG-CG2 4.05Å; V20-A29 HydrophobicContact CG2-CB 4.46Å; V20-L140 HydrophobicContact CG1-CD1 4.07Å; V20-L140 HydrophobicContact CG1-CD2 3.72Å; V20-L140 HydrophobicContact CG1-CG 3.84Å; V20-A144 HydrophobicContact CG2-CB 3.92Å; V20-V163 HydrophobicContact CG2-CG1 3.75Å; V20-V164 PolarHBondContact N-O 3.43Å; V20-L165 HydrophobicContact CB-CD2 3.88Å; V20-L165 HydrophobicContact CG1-CD2 4.27Å; V20-L165 WeakPolarHBondContact O-CA 3.35Å; V20-A166 PolarHBondContact O-N 2.83Å; V20-A166 VanDerWaalsContact O-N 3.08Å; V20-L179 HydrophobicContact CG1-CD2 3.98Å
21E97.9Very high96.1Very high13 Ų1323.4 Ų23.46%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-106.2131.4-176.7-52.5-165.76500110.9T4 A5 C27 H28 A166 V209T4-E21 WeakPolarHBondContact CB-OE2 3.37Å; T4-E21 PolarHBondContact OG1-OE2 2.86Å; A5-E21 WeakPolarHBondContact CA-OE2 3.47Å; A5-E21 PolarHBondContact N-OE2 2.89Å; E21-C27 CarbonylContact O-C 3.5Å; E21-C27 WeakPolarHBondContact O-CA 3.43Å; E21-C27 WeakPolarHBondContact O-CB 3.23Å; E21-H28 WeakPolarHBondContact CB-NE2 3.19Å; E21-H28 VanDerWaalsContact CG-NE2 3.32Å; E21-H28 WeakPolarHBondContact CG-NE2 3.47Å; E21-H28 PolarHBondContact N-O 2.95Å; E21-H28 PolarHBondContact O-N 3.29Å; E21-H28 IonicContact OE2-CD2 3.77Å; E21-H28 IonicContact OE2-CE1 3.65Å; E21-H28 PolarHBondContact OE2-CE1 3.44Å; E21-H28 IonicContact OE2-NE2 3.91Å; E21-H28 PolarHBondContact OE2-NE2 2.9Å; E21-A166 CarbonylContact C-O 3.44Å; E21-A166 VanDerWaalsContact CA-O 3.24Å; E21-A166 WeakPolarHBondContact CA-O 3.34Å; E21-A166 HydrophobicContact CG-CB 4.18Å; E21-V209 VanDerWaalsContact OE1-CG2 3.25Å; E21-V209 WeakPolarHBondContact OE1-CG2 3.39Å
22A98.1Very high96.2Very high0 Ų022.8 Ų22.80%016%0.164CC..EExtended strand (participates in β ladder)trans-123.795.1170.500000110.3C27 L140 A166 G167 G168 S169 T170 F175A22-C27 WeakPolarHBondContact CA-SG 3.14Å; A22-C27 HydrophobicContact CB-CB 4.37Å; A22-C27 VanDerWaalsContact CB-SG 3.53Å; A22-L140 HydrophobicContact CB-CD2 4.29Å; A22-A166 PolarHBondContact N-O 3.18Å; A22-G167 CarbonylContact O-C 3.5Å; A22-G167 WeakPolarHBondContact O-CA 3.48Å; A22-G168 PolarHBondContact O-N 3.05Å; A22-S169 WeakPolarHBondContact O-CB 3.34Å; A22-S169 PolarHBondContact O-N 2.93Å; A22-T170 HydrophobicContact CB-CG2 3.58Å; A22-F175 HydrophobicContact CB-CZ 4.2Å
23G96.6Very high96.3Very high21 Ų2124.4 Ų24.422%0.21617%0.167CC..  trans-90.8-162.2-174.800000114.1V26 G49 S169G23-V26 WeakPolarHBondContact CA-O 3.38Å; G23-V26 PolarHBondContact N-O 3.27Å; G23-G49 PolarHBondContact O-N 3.16Å; G23-S169 PolarHBondContact O-OG 2.72Å
24A95.2Very high96.4Very high65 Ų6524.8 Ų24.854%0.53716%0.164SC..SBendtrans-81.2-42.5172.100000112A48 G49 S50A24-A48 WeakPolarHBondContact O-CB 3.46Å; A24-G49 PolarHBondContact O-N 3.4Å; A24-S50 WeakPolarHBondContact O-CB 3.22Å; A24-S50 PolarHBondContact O-N 3.41Å; A24-S50 PolarHBondContact O-OG 3.48Å
25G95.2Very high96.2Very high59 Ų5925 Ų2561%0.60817%0.168SC*.SBendtrans-97.3-29.8-176.300000114.9
26V96.1Very high96.1Very high44 Ų4426 Ų2627%0.26717%0.174SC..  trans-149.6153.3-172.967.40000110.7G23 R44G23-V26 WeakPolarHBondContact CA-O 3.38Å; G23-V26 PolarHBondContact N-O 3.27Å; V26-R44 HydrophobicContact CG2-CG 3.56Å
27C97.8Very high96Very high0 Ų025.8 Ų25.80%017%0.173CC..EExtended strand (participates in β ladder)trans-116.7146.9162.7-56.40000109.3E21 A22 L45 V47 L140E21-C27 CarbonylContact O-C 3.5Å; E21-C27 WeakPolarHBondContact O-CA 3.43Å; E21-C27 WeakPolarHBondContact O-CB 3.23Å; A22-C27 WeakPolarHBondContact CA-SG 3.14Å; A22-C27 HydrophobicContact CB-CB 4.37Å; A22-C27 VanDerWaalsContact CB-SG 3.53Å; C27-L45 HydrophobicContact CB-CB 4.17Å; C27-L45 PolarHBondContact N-O 2.86Å; C27-L45 PolarHBondContact O-N 3.15Å; C27-V47 PolarHBondContact SG-O 2.94Å; C27-L140 HydrophobicContact CB-CD1 4.1Å; C27-L140 HydrophobicContact CB-CD2 4.3Å
28H96.5Very high95.8Very high30 Ų3030.1 Ų30.114%0.13919%0.19CC..EExtended strand (participates in β ladder)trans-151.2157.5175.854.2-122000112.1E21 F43E21-H28 WeakPolarHBondContact CB-NE2 3.19Å; E21-H28 VanDerWaalsContact CG-NE2 3.32Å; E21-H28 WeakPolarHBondContact CG-NE2 3.47Å; E21-H28 PolarHBondContact N-O 2.95Å; E21-H28 PolarHBondContact O-N 3.29Å; E21-H28 IonicContact OE2-CD2 3.77Å; E21-H28 IonicContact OE2-CE1 3.65Å; E21-H28 PolarHBondContact OE2-CE1 3.44Å; E21-H28 IonicContact OE2-NE2 3.91Å; E21-H28 PolarHBondContact OE2-NE2 2.9Å; H28-F43 CarbonylContact C-O 3.41Å; H28-F43 WeakPolarHBondContact CA-O 3.45Å; H28-F43 VanDerWaalsContact CB-O 3.28Å; H28-F43 WeakPolarHBondContact CB-O 3.35Å
29A98.3Very high95.5Very high0 Ų036.5 Ų36.50%022%0.219CC..EExtended strand (participates in β ladder)trans-117.7118.5168.300000108.2L18 A19 V20 T42 F43 A144 A147L18-A29 HydrophobicContact CD1-CB 4.41Å; A19-A29 CarbonylContact O-C 3.45Å; A19-A29 WeakPolarHBondContact O-CA 3.27Å; V20-A29 HydrophobicContact CG2-CB 4.46Å; A29-T42 WeakPolarHBondContact O-CA 3.43Å; A29-F43 PolarHBondContact N-O 3.34Å; A29-F43 PolarHBondContact O-N 3.2Å; A29-A144 HydrophobicContact CB-CB 3.99Å; A29-A147 HydrophobicContact CB-CB 4.15Å
30T98Very high95.3Very high6 Ų644.5 Ų44.54%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-128115.8-174.6-60.70000109.8A5 A19 I32 T42A5-T30 HydrophobicContact CB-CG2 3.62Å; A19-T30 PolarHBondContact N-O 3.34Å; A19-T30 PolarHBondContact O-N 3.46Å; T30-I32 HydrophobicContact CG2-CD1 3.81Å; T30-T42 WeakPolarHBondContact CG2-OG1 3.43Å; T30-T42 VanDerWaalsContact OG1-CG2 3.27Å; T30-T42 WeakPolarHBondContact OG1-CG2 3.34Å
31P97.9Very high95.2Very high0 Ų044.6 Ų44.60%026%0.257CS..EExtended strand (participates in β ladder)trans-76.9133.9172.520.2-13.6000110L18 W38 A41 A147 M151 L159L18-P31 HydrophobicContact CD1-CB 4.23Å; P31-W38 HydrophobicContact CG-CB 4.02Å; P31-W38 PolarHBondContact O-N 2.88Å; P31-A41 WeakPolarHBondContact CD-O 3.42Å; P31-A41 HydrophobicContact CG-CB 3.54Å; P31-A147 HydrophobicContact CG-CB 4.32Å; P31-M151 HydrophobicContact CB-CG 3.96Å; P31-M151 HydrophobicContact CB-SD 3.81Å; P31-M151 HydrophobicContact CG-CG 4.05Å; P31-M151 HydrophobicContact CG-SD 3.72Å; P31-L159 HydrophobicContact CB-CD1 3.97Å
32I96.9Very high95.2Very high0 Ų046.1 Ų46.10%027%0.267CS..EExtended strand (participates in β ladder)trans-118131.7175.1-54.3-59.1000107.8A5 L6 L9 S16 G17 T30 H36 S37 L159A5-I32 HydrophobicContact CB-CD1 3.94Å; A5-I32 HydrophobicContact CB-CG1 4.29Å; L6-I32 HydrophobicContact CB-CD1 4.3Å; L6-I32 HydrophobicContact CD1-CG2 3.8Å; L9-I32 HydrophobicContact CD1-CB 3.57Å; L9-I32 HydrophobicContact CD1-CG1 3.26Å; L9-I32 HydrophobicContact CD1-CG2 4.3Å; S16-I32 CarbonylContact C-O 3.53Å; S16-I32 VanDerWaalsContact CA-O 3.23Å; S16-I32 WeakPolarHBondContact CA-O 3.47Å; G17-I32 PolarHBondContact N-O 3.16Å; G17-I32 PolarHBondContact O-N 2.91Å; T30-I32 HydrophobicContact CG2-CD1 3.81Å; I32-H36 WeakPolarHBondContact CA-O 3.49Å; I32-S37 WeakPolarHBondContact CD1-OG 3.41Å; I32-L159 WeakPolarHBondContact O-CD2 3.39Å
33Y95.4Very high95.1Very high66 Ų6648.7 Ų48.726%0.25928%0.279SS..EExtended strand (participates in β ladder)trans-133.3130.5172.7-179.4-106.1000110G35 H36 L155Y33-G35 PolarHBondContact O-N 3.15Å; Y33-G35 VanDerWaalsContact O-N 3.15Å; Y33-H36 PolarHBondContact N-O 3.2Å; Y33-H36 PolarHBondContact O-N 3.3Å; Y33-L155 HydrophobicContact CD1-CD1 4.1Å; Y33-L155 HydrophobicContact CD2-CD1 4.25Å; Y33-L155 HydrophobicContact CD2-CD2 4.06Å; Y33-L155 HydrophobicContact CE1-CD1 4.29Å; Y33-L155 HydrophobicContact CE1-CD2 4.21Å; Y33-L155 HydrophobicContact CE2-CD1 4.45Å; Y33-L155 HydrophobicContact CE2-CD2 3.54Å; Y33-L155 HydrophobicContact CG-CD1 4.07Å
34A91.8Very high95.1Very high60 Ų6055.8 Ų55.850%0.49630%0.299SS..THydrogen-bonded Turntrans47.742.1-178.800000113.2F15 S16 H36F15-A34 PolarHBondContact O-N 3.32Å; S16-A34 PolarHBondContact OG-N 3.09Å; A34-H36 VanDerWaalsContact C-N 3.31Å; A34-H36 PolarHBondContact O-CE1 3.4Å; A34-H36 PolarHBondContact O-N 3.24Å; A34-H36 PolarHBondContact O-ND1 2.87Å
35G89.4Confident95.3Very high24 Ų2453.1 Ų53.125%0.24728%0.276CS..THydrogen-bonded Turntrans78.83.3179.800000116L6 F15 Y33L6-G35 WeakPolarHBondContact CD2-O 3.36Å; F15-G35 PolarHBondContact O-N 3.49Å; Y33-G35 PolarHBondContact O-N 3.15Å; Y33-G35 VanDerWaalsContact O-N 3.15Å
36H89.7Confident95.3Very high130 Ų13054.4 Ų54.460%0.60227%0.268SS*.EExtended strand (participates in β ladder)trans-112.5135.4-178.7-60.481.5000111.5I32 Y33 A34I32-H36 WeakPolarHBondContact CA-O 3.49Å; Y33-H36 PolarHBondContact N-O 3.2Å; Y33-H36 PolarHBondContact O-N 3.3Å; A34-H36 VanDerWaalsContact C-N 3.31Å; A34-H36 PolarHBondContact O-CE1 3.4Å; A34-H36 PolarHBondContact O-N 3.24Å; A34-H36 PolarHBondContact O-ND1 2.87Å
37S92.8Very high95.3Very high24 Ų2452.3 Ų52.317%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-81.7131.2177.1-56.30000111.5S3 I32 H39S3-S37 WeakPolarHBondContact CB-OG 3.23Å; S3-S37 PolarHBondContact OG-OG 2.92Å; S3-S37 VanDerWaalsContact OG-OG 3.05Å; I32-S37 WeakPolarHBondContact CD1-OG 3.41Å; S37-H39 PolarHBondContact O-N 3.42Å
38W93.9Very high95.2Very high91 Ų9152.3 Ų52.335%0.34526%0.256SS..  trans-90.283.5177.2-77.667.9000110.8P31 Q40 A41 T42 M151 P152 L155P31-W38 HydrophobicContact CG-CB 4.02Å; P31-W38 PolarHBondContact O-N 2.88Å; W38-Q40 VanDerWaalsContact C-N 3.27Å; W38-Q40 PolarHBondContact O-N 2.82Å; W38-A41 HydrophobicContact CB-CB 4.16Å; W38-A41 CarbonylContact O-C 3.48Å; W38-A41 WeakPolarHBondContact O-CA 3.03Å; W38-A41 PolarHBondContact O-N 3.28Å; W38-T42 PolarHBondContact O-N 3.38Å; W38-T42 VanDerWaalsContact O-N 3.14Å; W38-T42 PolarHBondContact O-OG1 3.23Å; W38-M151 HydrophobicContact CB-CE 4.37Å; W38-M151 HydrophobicContact CB-SD 3.8Å; W38-M151 HydrophobicContact CD2-CE 3.26Å; W38-M151 HydrophobicContact CD2-SD 3.6Å; W38-M151 VanDerWaalsContact CD2-SD 3.6Å; W38-M151 HydrophobicContact CE3-CE 3.69Å; W38-M151 HydrophobicContact CE3-SD 3.72Å; W38-M151 HydrophobicContact CG-CE 3.57Å; W38-M151 HydrophobicContact CG-SD 3.64Å; W38-M151 HydrophobicContact CH2-CE 4.19Å; W38-M151 HydrophobicContact CZ2-CE 3.82Å; W38-M151 HydrophobicContact CZ3-CE 4.14Å; W38-M151 HydrophobicContact CZ3-SD 4.49Å; W38-P152 HydrophobicContact CH2-CG 4.08Å; W38-P152 HydrophobicContact CZ3-CG 4.35Å; W38-L155 HydrophobicContact CZ2-CD1 4.13Å
39H91.2Very high95.3Very high133 Ų13351 Ų5162%0.61625%0.251SS*.G310 helixtrans-55.7-37.6-174.4-63.8-67.9000114.1S37 A41 T42S37-H39 PolarHBondContact O-N 3.42Å; H39-A41 PolarHBondContact O-N 2.91Å; H39-T42 WeakPolarHBondContact O-CB 3.45Å; H39-T42 PolarHBondContact O-N 2.92Å; H39-T42 VanDerWaalsContact O-N 3.17Å
40Q93.8Very high95.2Very high169 Ų16954.1 Ų54.179%0.7927%0.273SS*.G310 helixtrans-69.6-15.3177.7-64.7-176-8.900113.7W38W38-Q40 VanDerWaalsContact C-N 3.27Å; W38-Q40 PolarHBondContact O-N 2.82Å
41A96.9Very high95.2Very high1 Ų154.6 Ų54.61%0.00828%0.275CS..G310 helixtrans-111.511.2176.100000111.9P31 W38 H39 F43 A147 K150 M151P31-A41 WeakPolarHBondContact CD-O 3.42Å; P31-A41 HydrophobicContact CG-CB 3.54Å; W38-A41 HydrophobicContact CB-CB 4.16Å; W38-A41 CarbonylContact O-C 3.48Å; W38-A41 WeakPolarHBondContact O-CA 3.03Å; W38-A41 PolarHBondContact O-N 3.28Å; H39-A41 PolarHBondContact O-N 2.91Å; A41-F43 WeakPolarHBondContact O-CD2 3.25Å; A41-A147 WeakPolarHBondContact O-CA 3.47Å; A41-A147 WeakPolarHBondContact O-CB 3.45Å; A41-K150 HydrophobicContact CB-CB 3.75Å; A41-K150 HydrophobicContact CB-CG 3.74Å; A41-M151 HydrophobicContact CB-CG 4.49Å; A41-M151 HydrophobicContact CB-SD 3.84Å
42T97.1Very high95.2Very high46 Ų4654.6 Ų54.628%0.28228%0.275SS..  trans-84.8126.6172.2-650000110.1A29 T30 W38 H39A29-T42 WeakPolarHBondContact O-CA 3.43Å; T30-T42 WeakPolarHBondContact CG2-OG1 3.43Å; T30-T42 VanDerWaalsContact OG1-CG2 3.27Å; T30-T42 WeakPolarHBondContact OG1-CG2 3.34Å; W38-T42 PolarHBondContact O-N 3.38Å; W38-T42 VanDerWaalsContact O-N 3.14Å; W38-T42 PolarHBondContact O-OG1 3.23Å; H39-T42 WeakPolarHBondContact O-CB 3.45Å; H39-T42 PolarHBondContact O-N 2.92Å; H39-T42 VanDerWaalsContact O-N 3.17Å
43F97.9Very high95.2Very high53 Ų5355.2 Ų55.223%0.23228%0.279CS..EExtended strand (participates in β ladder)trans-116.9138.4177.7-69.4-85.5000111.3H28 A29 A41 L143 R146 A147 K150H28-F43 CarbonylContact C-O 3.41Å; H28-F43 WeakPolarHBondContact CA-O 3.45Å; H28-F43 VanDerWaalsContact CB-O 3.28Å; H28-F43 WeakPolarHBondContact CB-O 3.35Å; A29-F43 PolarHBondContact N-O 3.34Å; A29-F43 PolarHBondContact O-N 3.2Å; A41-F43 WeakPolarHBondContact O-CD2 3.25Å; F43-L143 HydrophobicContact CB-CB 3.94Å; F43-L143 HydrophobicContact CB-CD2 4.06Å; F43-L143 HydrophobicContact CB-CG 4.42Å; F43-L143 HydrophobicContact CD1-CD2 4.3Å; F43-L143 HydrophobicContact CG-CD2 4.45Å; F43-R146 HydrophobicContact CD1-CB 4.48Å; F43-R146 HydrophobicContact CD2-CB 4.1Å; F43-R146 HydrophobicContact CE1-CB 4.23Å; F43-R146 VanDerWaalsContact CE2-C 3.42Å; F43-R146 HydrophobicContact CE2-CB 3.83Å; F43-R146 WeakPolarHBondContact CE2-O 3.33Å; F43-R146 HydrophobicContact CG-CB 4.42Å; F43-R146 HydrophobicContact CZ-CB 3.89Å; F43-A147 HydrophobicContact CD2-CB 3.86Å; F43-A147 HydrophobicContact CE2-CB 4.36Å; F43-K150 HydrophobicContact CE2-CB 4.37Å
44R96.6Very high95.2Very high170 Ų17058.1 Ų58.164%0.64229%0.29SS*.EExtended strand (participates in β ladder)trans-118.5139.4-173.7177.1176.9168.1175.1-0.5111.4V26 N46V26-R44 HydrophobicContact CG2-CG 3.56Å; R44-N46 PolarHBondContact NE-OD1 3.41Å; R44-N46 PolarHBondContact NH2-OD1 3.46Å
45L97.6Very high95.5Very high10 Ų1056.6 Ų56.65%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-119125.9170.6178.262.3000109.7C27 V47 P130 L140 L143C27-L45 HydrophobicContact CB-CB 4.17Å; C27-L45 PolarHBondContact N-O 2.86Å; C27-L45 PolarHBondContact O-N 3.15Å; L45-V47 HydrophobicContact CD1-CB 4.17Å; L45-V47 HydrophobicContact CD1-CG2 3.96Å; L45-V47 HydrophobicContact CD2-CB 4.11Å; L45-V47 HydrophobicContact CG-CB 3.89Å; L45-V47 HydrophobicContact CG-CG2 4.24Å; L45-V47 PolarHBondContact O-N 2.87Å; L45-P130 HydrophobicContact CD1-CB 4.27Å; L45-P130 HydrophobicContact CD1-CG 3.72Å; L45-L140 HydrophobicContact CD2-CB 4.11Å; L45-L143 HydrophobicContact CB-CD1 3.69Å
46N95Very high95.8Very high85 Ų8555.4 Ų55.446%0.45526%0.26SS..SBendtrans-86.526.5177.6-70.1-36000113R44R44-N46 PolarHBondContact NE-OD1 3.41Å; R44-N46 PolarHBondContact NH2-OD1 3.46Å
47V96.9Very high96Very high0 Ų053.4 Ų53.40%025%0.247CC..  trans-115.5116169.7-176.70000107.3C27 L45 T51 L52 P126 I127 P130 L133C27-V47 PolarHBondContact SG-O 2.94Å; L45-V47 HydrophobicContact CD1-CB 4.17Å; L45-V47 HydrophobicContact CD1-CG2 3.96Å; L45-V47 HydrophobicContact CD2-CB 4.11Å; L45-V47 HydrophobicContact CG-CB 3.89Å; L45-V47 HydrophobicContact CG-CG2 4.24Å; L45-V47 PolarHBondContact O-N 2.87Å; V47-T51 HydrophobicContact CG1-CG2 4.36Å; V47-L52 HydrophobicContact CG1-CD2 3.79Å; V47-P126 HydrophobicContact CG1-CB 3.78Å; V47-I127 HydrophobicContact CG1-CG1 4.38Å; V47-P130 HydrophobicContact CG2-CB 4.19Å; V47-L133 HydrophobicContact CG1-CD1 3.85Å; V47-L133 HydrophobicContact CG2-CD1 4.01Å
48A96.7Very high96Very high0 Ų055.9 Ų55.90%026%0.258CS..  trans-150.5-176.4-176.400000110.5A24 S50 T51 L52A24-A48 WeakPolarHBondContact O-CB 3.46Å; A48-S50 VanDerWaalsContact C-N 3.3Å; A48-S50 PolarHBondContact O-N 3.29Å; A48-S50 VanDerWaalsContact O-N 3.08Å; A48-T51 WeakPolarHBondContact O-CA 3.49Å; A48-T51 WeakPolarHBondContact O-CB 3.05Å; A48-T51 PolarHBondContact O-N 2.96Å; A48-L52 WeakPolarHBondContact O-CG 3.34Å; A48-L52 PolarHBondContact O-N 3.36Å
49G97.3Very high96.1Very high3 Ų352 Ų523%0.03124%0.244CC..Hα-helixtrans-50.6-40.5-170.400000115.5G23 A24 L52 S53 K81 S169G23-G49 PolarHBondContact O-N 3.16Å; A24-G49 PolarHBondContact O-N 3.4Å; G49-L52 PolarHBondContact O-N 3.49Å; G49-S53 PolarHBondContact O-N 2.96Å; G49-S53 PolarHBondContact O-OG 3.34Å; G49-K81 PolarHBondContact O-NZ 2.99Å; G49-S169 WeakPolarHBondContact CA-OG 3.43Å; G49-S169 PolarHBondContact N-OG 3.28Å
50S96.8Very high96.1Very high66 Ų6645.7 Ų45.746%0.46222%0.215SC..Hα-helixtrans-68.8-36.5178.1-65.10000112.4A24 A48 S53 R54A24-S50 WeakPolarHBondContact O-CB 3.22Å; A24-S50 PolarHBondContact O-N 3.41Å; A24-S50 PolarHBondContact O-OG 3.48Å; A48-S50 VanDerWaalsContact C-N 3.3Å; A48-S50 PolarHBondContact O-N 3.29Å; A48-S50 VanDerWaalsContact O-N 3.08Å; S50-S53 PolarHBondContact O-N 3.11Å; S50-R54 PolarHBondContact O-N 2.83Å
51T97.4Very high95.9Very high16 Ų1639.6 Ų39.610%0.09819%0.189CC..Hα-helixtrans-65.8-44.5172.9-56.50000110.4V47 A48 S53 R54 Y55 L133V47-T51 HydrophobicContact CG1-CG2 4.36Å; A48-T51 WeakPolarHBondContact O-CA 3.49Å; A48-T51 WeakPolarHBondContact O-CB 3.05Å; A48-T51 PolarHBondContact O-N 2.96Å; T51-S53 VanDerWaalsContact C-N 3.34Å; T51-S53 PolarHBondContact O-N 3.19Å; T51-R54 PolarHBondContact O-N 3.19Å; T51-R54 VanDerWaalsContact O-N 3.13Å; T51-R54 PolarHBondContact OG1-NH2 3.32Å; T51-Y55 PolarHBondContact O-N 3.27Å; T51-L133 HydrophobicContact CG2-CD1 3.53Å
52L98.2Very high95.6Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-64.1-37.1176.9-54.8-174.4000112.5V47 A48 G49 R54 Y55 L56 K81 C123 P124 P126 I127 F172V47-L52 HydrophobicContact CG1-CD2 3.79Å; A48-L52 WeakPolarHBondContact O-CG 3.34Å; A48-L52 PolarHBondContact O-N 3.36Å; G49-L52 PolarHBondContact O-N 3.49Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.04Å; L52-Y55 PolarHBondContact O-N 2.62Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 PolarHBondContact O-N 3.08Å; L52-K81 HydrophobicContact CB-CD 4.03Å; L52-C123 WeakPolarHBondContact CD2-O 3.39Å; L52-P124 HydrophobicContact CD1-CB 4.47Å; L52-P126 HydrophobicContact CD2-CB 4.07Å; L52-P126 HydrophobicContact CD2-CG 4.31Å; L52-I127 HydrophobicContact CD1-CD1 3.7Å; L52-I127 HydrophobicContact CD1-CG1 4.07Å; L52-I127 HydrophobicContact CD2-CG1 4.36Å; L52-F172 HydrophobicContact CD1-CE2 3.75Å; L52-F172 HydrophobicContact CD1-CZ 4.17Å
53S97.2Very high95.2Very high12 Ų1243.4 Ų43.48%0.08423%0.225CC..Hα-helixtrans-62.6-38.2174.1-69.80000111.7G49 S50 T51 R57 I77 T78 K81G49-S53 PolarHBondContact O-N 2.96Å; G49-S53 PolarHBondContact O-OG 3.34Å; S50-S53 PolarHBondContact O-N 3.11Å; T51-S53 VanDerWaalsContact C-N 3.34Å; T51-S53 PolarHBondContact O-N 3.19Å; S53-R57 PolarHBondContact O-N 2.88Å; S53-I77 WeakPolarHBondContact O-CG2 3.33Å; S53-T78 PolarHBondContact OG-OG1 3.23Å; S53-T78 VanDerWaalsContact OG-OG1 3.12Å; S53-K81 PolarHBondContact OG-NZ 3.32Å
54R95.7Very high94.6Very high127 Ų12744.1 Ų44.148%0.47923%0.232SC..Hα-helixtrans-67.8-45.9174.2-71.7-177.1-70.1110.6-6111.1S50 T51 L52 L56 R57 D58S50-R54 PolarHBondContact O-N 2.83Å; T51-R54 PolarHBondContact O-N 3.19Å; T51-R54 VanDerWaalsContact O-N 3.13Å; T51-R54 PolarHBondContact OG1-NH2 3.32Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.04Å; R54-L56 VanDerWaalsContact C-N 3.33Å; R54-L56 PolarHBondContact O-N 3.44Å; R54-R57 WeakPolarHBondContact O-CB 3.21Å; R54-R57 PolarHBondContact O-N 2.89Å; R54-R57 VanDerWaalsContact O-N 3.13Å; R54-D58 PolarHBondContact O-N 2.89Å; R54-D58 VanDerWaalsContact O-N 3.08Å
55Y97Very high93.9Very high28 Ų2840 Ų4011%0.1123%0.227CC..Hα-helixtrans-59.8-42178.4-175.5-128.5000112.7T51 L52 R57 D58 L59 R122 P126 L133T51-Y55 PolarHBondContact O-N 3.27Å; L52-Y55 PolarHBondContact O-N 2.62Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 3.18Å; Y55-D58 PolarHBondContact O-N 3.3Å; Y55-D58 VanDerWaalsContact O-N 3.13Å; Y55-L59 HydrophobicContact CD1-CD1 3.93Å; Y55-L59 HydrophobicContact CD1-CG 4.46Å; Y55-L59 HydrophobicContact CD2-CG 4.41Å; Y55-L59 HydrophobicContact CE1-CD1 3.65Å; Y55-L59 HydrophobicContact CE1-CD2 4.49Å; Y55-L59 HydrophobicContact CE1-CG 4.19Å; Y55-L59 HydrophobicContact CE2-CD1 4.49Å; Y55-L59 HydrophobicContact CE2-CD2 4.18Å; Y55-L59 HydrophobicContact CE2-CG 4.14Å; Y55-L59 HydrophobicContact CG-CD1 4.47Å; Y55-L59 WeakPolarHBondContact O-CG 3.23Å; Y55-L59 PolarHBondContact O-N 3.44Å; Y55-R122 WeakPolarHBondContact CE1-O 3.14Å; Y55-P126 HydrophobicContact CD1-CG 3.65Å; Y55-P126 HydrophobicContact CE1-CG 3.56Å; Y55-P126 HydrophobicContact CG-CG 4.46Å; Y55-L133 HydrophobicContact CD1-CD2 4.28Å; Y55-L133 HydrophobicContact CD2-CD2 3.37Å; Y55-L133 HydrophobicContact CE2-CD2 3.87Å; Y55-L133 HydrophobicContact CG-CD2 3.61Å
56L96.1Very high93Very high0 Ų045.2 Ų45.20%025%0.254CS..Hα-helixtrans-58.8-43.5175.1178.959.6000111.9L52 R54 D58 L59 L60 I77 L80 K81 L116 E119 C123L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 PolarHBondContact O-N 3.08Å; R54-L56 VanDerWaalsContact C-N 3.33Å; R54-L56 PolarHBondContact O-N 3.44Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.21Å; L56-L59 PolarHBondContact O-N 2.91Å; L56-L60 HydrophobicContact CD1-CD1 4.31Å; L56-L60 HydrophobicContact CD1-CG 4.18Å; L56-L60 HydrophobicContact CG-CD1 4.05Å; L56-L60 HydrophobicContact CG-CG 4.38Å; L56-L60 VanDerWaalsContact O-CG 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 3.36Å; L56-I77 HydrophobicContact CB-CG2 4.32Å; L56-I77 HydrophobicContact CD2-CG2 4.17Å; L56-I77 HydrophobicContact CG-CG2 4.37Å; L56-L80 HydrophobicContact CD2-CD2 4.36Å; L56-K81 HydrophobicContact CD2-CB 3.66Å; L56-K81 HydrophobicContact CD2-CG 4.35Å; L56-L116 HydrophobicContact CD1-CD2 4.06Å; L56-E119 HydrophobicContact CD1-CB 4.09Å; L56-C123 HydrophobicContact CB-CB 4.37Å; L56-C123 HydrophobicContact CD1-CB 4.06Å
57R93.7Very high92Very high88 Ų8842 Ų4233%0.33224%0.237SC..Hα-helixtrans-59.7-44.7175.9177.8-159.761.4-152-6.1110.9S53 R54 Y55 L59 L60 V61 I77S53-R57 PolarHBondContact O-N 2.88Å; R54-R57 WeakPolarHBondContact O-CB 3.21Å; R54-R57 PolarHBondContact O-N 2.89Å; R54-R57 VanDerWaalsContact O-N 3.13Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 3.18Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.48Å; R57-L60 PolarHBondContact O-N 3.13Å; R57-V61 WeakPolarHBondContact O-CG2 3.44Å; R57-V61 PolarHBondContact O-N 3.21Å; R57-I77 HydrophobicContact CB-CD1 3.83Å; R57-I77 HydrophobicContact CB-CG1 4.47Å; R57-I77 HydrophobicContact CB-CG2 4.37Å; R57-I77 HydrophobicContact CG-CD1 3.89Å
58D93.6Very high90.6Very high75 Ų7547.8 Ų47.840%0.40127%0.267SS..Hα-helixtrans-65.6-37.9-178.5-54.4-19.6000110.7R54 Y55 L56 A62R54-D58 PolarHBondContact O-N 2.89Å; R54-D58 VanDerWaalsContact O-N 3.08Å; Y55-D58 PolarHBondContact O-N 3.3Å; Y55-D58 VanDerWaalsContact O-N 3.13Å; L56-D58 VanDerWaalsContact C-N 3.29Å; L56-D58 PolarHBondContact O-N 3.21Å; D58-A62 WeakPolarHBondContact O-CB 3.18Å; D58-A62 PolarHBondContact O-N 2.81Å
59L94.8Very high88.9Confident10 Ų1055.5 Ų55.55%0.05230%0.303CS..Hα-helixtrans-62.3-45.2171.3-71.5174.7000112.8Y55 L56 R57 A62 A63 E119 R122Y55-L59 HydrophobicContact CD1-CD1 3.93Å; Y55-L59 HydrophobicContact CD1-CG 4.46Å; Y55-L59 HydrophobicContact CD2-CG 4.41Å; Y55-L59 HydrophobicContact CE1-CD1 3.65Å; Y55-L59 HydrophobicContact CE1-CD2 4.49Å; Y55-L59 HydrophobicContact CE1-CG 4.19Å; Y55-L59 HydrophobicContact CE2-CD1 4.49Å; Y55-L59 HydrophobicContact CE2-CD2 4.18Å; Y55-L59 HydrophobicContact CE2-CG 4.14Å; Y55-L59 HydrophobicContact CG-CD1 4.47Å; Y55-L59 WeakPolarHBondContact O-CG 3.23Å; Y55-L59 PolarHBondContact O-N 3.44Å; L56-L59 PolarHBondContact O-N 2.91Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.48Å; L59-A62 PolarHBondContact O-N 3.26Å; L59-A63 PolarHBondContact O-N 3.1Å; L59-E119 HydrophobicContact CB-CB 4.28Å; L59-E119 HydrophobicContact CB-CG 3.89Å; L59-E119 HydrophobicContact CD1-CB 4.43Å; L59-R122 HydrophobicContact CD1-CB 3.88Å
60L91.9Very high87.5Confident1 Ų159.9 Ų59.91%0.00532%0.323CS..Hα-helixtrans-64-41.4179.6-70.4170.5000112.1L56 R57 A63 N64 L67 L72 L80 V114 L116 E119L56-L60 HydrophobicContact CD1-CD1 4.31Å; L56-L60 HydrophobicContact CD1-CG 4.18Å; L56-L60 HydrophobicContact CG-CD1 4.05Å; L56-L60 HydrophobicContact CG-CG 4.38Å; L56-L60 VanDerWaalsContact O-CG 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 3.36Å; R57-L60 PolarHBondContact O-N 3.13Å; L60-A63 PolarHBondContact O-N 2.94Å; L60-N64 PolarHBondContact O-N 2.93Å; L60-L67 HydrophobicContact CB-CD1 4.22Å; L60-L72 HydrophobicContact CD1-CD1 4.46Å; L60-L80 HydrophobicContact CD1-CD2 3.71Å; L60-V114 HydrophobicContact CD1-CG1 4.33Å; L60-V114 HydrophobicContact CD2-CG1 3.76Å; L60-L116 HydrophobicContact CD2-CD2 3.91Å; L60-L116 HydrophobicContact CD2-CG 3.89Å; L60-E119 HydrophobicContact CD2-CG 4.41Å
61V90.2Very high86.2Confident41 Ų4161.5 Ų61.525%0.24834%0.341CS..Hα-helixtrans-63.6-42.1175.6162.20000111.1R57 A63 N64 P65 L68R57-V61 WeakPolarHBondContact O-CG2 3.44Å; R57-V61 PolarHBondContact O-N 3.21Å; V61-A63 VanDerWaalsContact C-N 3.31Å; V61-A63 PolarHBondContact O-N 3.42Å; V61-N64 CarbonylContact O-C 3.27Å; V61-N64 VanDerWaalsContact O-C 3.27Å; V61-N64 PolarHBondContact O-N 3.05Å; V61-P65 WeakPolarHBondContact O-CA 3.29Å; V61-L68 HydrophobicContact CB-CD2 4.42Å; V61-L68 HydrophobicContact CG1-CD1 4.11Å; V61-L68 HydrophobicContact CG1-CD2 3.52Å; V61-L68 HydrophobicContact CG1-CG 3.7Å; V61-L68 HydrophobicContact CG2-CD2 3.97Å; V61-L68 HydrophobicContact CG2-CG 4.38Å
62A90.4Very high85.5Confident80 Ų8062.1 Ų62.166%0.66134%0.343SS*.Hα-helixtrans-65.6-35.1177.200000112.5D58 L59D58-A62 WeakPolarHBondContact O-CB 3.18Å; D58-A62 PolarHBondContact O-N 2.81Å; L59-A62 PolarHBondContact O-N 3.26Å
63A88.9Confident84.9Confident46 Ų4665.6 Ų65.638%0.3837%0.366SS..Hα-helixtrans-75.8-36.3177.900000113L59 L60 V61 E119L59-A63 PolarHBondContact O-N 3.1Å; L60-A63 PolarHBondContact O-N 2.94Å; V61-A63 VanDerWaalsContact C-N 3.31Å; V61-A63 PolarHBondContact O-N 3.42Å; A63-E119 WeakPolarHBondContact CB-OE1 3.48Å
64N85.3Confident84.5Confident69 Ų6975 Ų7537%0.36940%0.399SS..  trans-138.191.7-179.6-61.4-67.4000110L60 V61 D66 L67L60-N64 PolarHBondContact O-N 2.93Å; V61-N64 CarbonylContact O-C 3.27Å; V61-N64 VanDerWaalsContact O-C 3.27Å; V61-N64 PolarHBondContact O-N 3.05Å; N64-D66 PolarHBondContact O-N 3.32Å; N64-D66 VanDerWaalsContact O-N 3.14Å; N64-L67 HydrophobicContact CB-CD1 3.83Å; N64-L67 HydrophobicContact CB-CG 3.91Å; N64-L67 VanDerWaalsContact O-CB 3.31Å; N64-L67 WeakPolarHBondContact O-CB 3.42Å; N64-L67 PolarHBondContact O-N 2.93Å
65P80.4Confident84.3Confident83 Ų8377.9 Ų77.954%0.53942%0.415SS..G310 helixtrans-57.9-28-177.4-2836.4000114.3V61 L67 L68V61-P65 WeakPolarHBondContact O-CA 3.29Å; P65-L67 PolarHBondContact O-N 3.12Å; P65-L67 VanDerWaalsContact O-N 3.16Å; P65-L68 WeakPolarHBondContact O-CB 3.2Å; P65-L68 WeakPolarHBondContact O-CG 3.35Å; P65-L68 PolarHBondContact O-N 3.22Å
66D78.5Confident84Confident119 Ų11977.6 Ų77.664%0.63642%0.419SS*.G310 helixtrans-60.8-24.4177.3-61.1-30.4000112.8N64 L68 Q69N64-D66 PolarHBondContact O-N 3.32Å; N64-D66 VanDerWaalsContact O-N 3.14Å; D66-L68 PolarHBondContact O-N 3.35Å; D66-L68 VanDerWaalsContact O-N 3.15Å; D66-Q69 WeakPolarHBondContact O-CB 3.34Å; D66-Q69 PolarHBondContact O-N 3.43Å; D66-Q69 VanDerWaalsContact O-N 3.09Å
67L75.4Confident83.8Confident17 Ų1778 Ų789%0.08942%0.42CS..G310 helixtrans-64.9-13.7173.3-64.7177.9000112.9L60 N64 P65 Q69 H70 V114L60-L67 HydrophobicContact CB-CD1 4.22Å; N64-L67 HydrophobicContact CB-CD1 3.83Å; N64-L67 HydrophobicContact CB-CG 3.91Å; N64-L67 VanDerWaalsContact O-CB 3.31Å; N64-L67 WeakPolarHBondContact O-CB 3.42Å; N64-L67 PolarHBondContact O-N 2.93Å; P65-L67 PolarHBondContact O-N 3.12Å; P65-L67 VanDerWaalsContact O-N 3.16Å; L67-Q69 PolarHBondContact O-N 3.16Å; L67-H70 CarbonylContact O-C 3.48Å; L67-H70 PolarHBondContact O-N 2.76Å; L67-V114 HydrophobicContact CD1-CG1 4.41Å; L67-V114 HydrophobicContact CD2-CG2 4.35Å
68L66.2Low83.8Confident122 Ų12275.8 Ų75.864%0.63942%0.417SS*.G310 helixtrans-62.9-32.3170.8-74.7168.7000112.4V61 P65 D66 H70V61-L68 HydrophobicContact CB-CD2 4.42Å; V61-L68 HydrophobicContact CG1-CD1 4.11Å; V61-L68 HydrophobicContact CG1-CD2 3.52Å; V61-L68 HydrophobicContact CG1-CG 3.7Å; V61-L68 HydrophobicContact CG2-CD2 3.97Å; V61-L68 HydrophobicContact CG2-CG 4.38Å; P65-L68 WeakPolarHBondContact O-CB 3.2Å; P65-L68 WeakPolarHBondContact O-CG 3.35Å; P65-L68 PolarHBondContact O-N 3.22Å; D66-L68 PolarHBondContact O-N 3.35Å; D66-L68 VanDerWaalsContact O-N 3.15Å; L68-H70 VanDerWaalsContact C-N 3.26Å; L68-H70 PolarHBondContact O-N 2.88Å
69Q62Low83.8Confident162 Ų16276.3 Ų76.376%0.75742%0.417SS*.THydrogen-bonded Turntrans-73.9-24178.9-56.7-176.621.200111.4D66 L67D66-Q69 WeakPolarHBondContact O-CB 3.34Å; D66-Q69 PolarHBondContact O-N 3.43Å; D66-Q69 VanDerWaalsContact O-N 3.09Å; L67-Q69 PolarHBondContact O-N 3.16Å
70H67.2Low83.7Confident96 Ų9676.1 Ų76.144%0.44442%0.416SS..SBendtrans-99.299.3176.5-63.1-51.6000110.1L67 L68 L72L67-H70 CarbonylContact O-C 3.48Å; L67-H70 PolarHBondContact O-N 2.76Å; L68-H70 VanDerWaalsContact C-N 3.26Å; L68-H70 PolarHBondContact O-N 2.88Å; H70-L72 VanDerWaalsContact C-N 3.29Å; H70-L72 PolarHBondContact O-N 2.88Å
71A70.9Confident83.9Confident100 Ų10076.7 Ų76.783%0.82642%0.418SS*.  trans-61.887.4174.800000111.4P73A71-P73 WeakPolarHBondContact O-CD 3.47Å
72L80.9Confident84.1Confident29 Ų2982.1 Ų82.115%0.15244%0.439CS..  trans-64.1117.8179.9-64.4-178000109.3L60 H70 I77 M108L60-L72 HydrophobicContact CD1-CD1 4.46Å; H70-L72 VanDerWaalsContact C-N 3.29Å; H70-L72 PolarHBondContact O-N 2.88Å; L72-I77 HydrophobicContact CB-CD1 4.08Å; L72-I77 HydrophobicContact CB-CG1 4.04Å; L72-I77 WeakPolarHBondContact O-CD1 3.46Å; L72-M108 HydrophobicContact CD2-CE 3.44Å; L72-M108 VanDerWaalsContact CD2-CE 3.44Å; L72-M108 HydrophobicContact CD2-SD 4Å
73P87.4Confident84.3Confident73 Ų7387 Ų8747%0.47444%0.44SS..  trans-65.9143.2-176.323.6-30.4000110.5A71 K75 A76 I77A71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-K75 PolarHBondContact O-N 3.04Å; P73-A76 HydrophobicContact CG-CB 3.78Å; P73-A76 WeakPolarHBondContact O-CA 3.24Å; P73-A76 WeakPolarHBondContact O-CB 3.16Å; P73-A76 PolarHBondContact O-N 2.89Å; P73-I77 PolarHBondContact O-N 2.88Å
74R88.9Confident84.6Confident210 Ų21085.3 Ų85.379%0.79243%0.426SS*.Hα-helixtrans-51.6-34.6-178.9-70.8-179.5176161-0.8113.6T78R74-T78 WeakPolarHBondContact O-CB 3.32Å; R74-T78 PolarHBondContact O-N 3.21Å; R74-T78 PolarHBondContact O-OG1 3.01Å
75K90.4Very high85.2Confident187 Ų18782.2 Ų82.281%0.81341%0.409SS*.Hα-helixtrans-65.1-42.1176.2-68.9-176.4179.6178.40111.7P73 T78 H79P73-K75 PolarHBondContact O-N 3.04Å; K75-T78 PolarHBondContact O-N 3.38Å; K75-H79 WeakPolarHBondContact O-CB 3.39Å; K75-H79 PolarHBondContact O-N 3.41Å
76A90Very high86Confident22 Ų2279.8 Ų79.818%0.18239%0.389CS..Hα-helixtrans-65.1-46177.200000111.3P73 T78 H79 L80 M108P73-A76 HydrophobicContact CG-CB 3.78Å; P73-A76 WeakPolarHBondContact O-CA 3.24Å; P73-A76 WeakPolarHBondContact O-CB 3.16Å; P73-A76 PolarHBondContact O-N 2.89Å; A76-T78 VanDerWaalsContact C-N 3.29Å; A76-T78 PolarHBondContact O-N 3.06Å; A76-H79 WeakPolarHBondContact O-CB 3.42Å; A76-H79 PolarHBondContact O-N 3.27Å; A76-H79 VanDerWaalsContact O-N 3.13Å; A76-L80 WeakPolarHBondContact O-CB 3.27Å; A76-L80 PolarHBondContact O-N 3.1Å; A76-M108 HydrophobicContact CB-CE 4.18Å
77I92.8Very high86.9Confident7 Ų774.5 Ų74.54%0.03636%0.361CS..Hα-helixtrans-60.7-41.5177.2-61.7155.3000111S53 L56 R57 L72 P73 L80 K81S53-I77 WeakPolarHBondContact O-CG2 3.33Å; L56-I77 HydrophobicContact CB-CG2 4.32Å; L56-I77 HydrophobicContact CD2-CG2 4.17Å; L56-I77 HydrophobicContact CG-CG2 4.37Å; R57-I77 HydrophobicContact CB-CD1 3.83Å; R57-I77 HydrophobicContact CB-CG1 4.47Å; R57-I77 HydrophobicContact CB-CG2 4.37Å; R57-I77 HydrophobicContact CG-CD1 3.89Å; L72-I77 HydrophobicContact CB-CD1 4.08Å; L72-I77 HydrophobicContact CB-CG1 4.04Å; L72-I77 WeakPolarHBondContact O-CD1 3.46Å; P73-I77 PolarHBondContact O-N 2.88Å; I77-L80 PolarHBondContact O-N 2.92Å; I77-K81 VanDerWaalsContact O-CB 3.32Å; I77-K81 WeakPolarHBondContact O-CB 3.28Å; I77-K81 PolarHBondContact O-N 3.43Å
78T94.5Very high88Confident43 Ų4373.8 Ų73.826%0.26436%0.358SS..Hα-helixtrans-66.5-38.1177.1-61.50000112S53 R74 K75 A76 K82S53-T78 PolarHBondContact OG-OG1 3.23Å; S53-T78 VanDerWaalsContact OG-OG1 3.12Å; R74-T78 WeakPolarHBondContact O-CB 3.32Å; R74-T78 PolarHBondContact O-N 3.21Å; R74-T78 PolarHBondContact O-OG1 3.01Å; K75-T78 PolarHBondContact O-N 3.38Å; A76-T78 VanDerWaalsContact C-N 3.29Å; A76-T78 PolarHBondContact O-N 3.06Å; T78-K82 HydrophobicContact CG2-CD 4.43Å; T78-K82 VanDerWaalsContact O-CG 3.31Å; T78-K82 WeakPolarHBondContact O-CG 3.08Å; T78-K82 PolarHBondContact O-N 3Å; T78-K82 VanDerWaalsContact O-N 3.13Å
79H93.1Very high89.5Confident86 Ų8672.1 Ų72.140%0.39835%0.349SS..Hα-helixtrans-65.3-47.7174.4-176.378.6000111.2K75 A76 K81 K82 R83 F106K75-H79 WeakPolarHBondContact O-CB 3.39Å; K75-H79 PolarHBondContact O-N 3.41Å; A76-H79 WeakPolarHBondContact O-CB 3.42Å; A76-H79 PolarHBondContact O-N 3.27Å; A76-H79 VanDerWaalsContact O-N 3.13Å; H79-K81 VanDerWaalsContact C-N 3.34Å; H79-K81 PolarHBondContact O-N 3.36Å; H79-K82 PolarHBondContact O-N 3.37Å; H79-R83 WeakPolarHBondContact O-CB 3.16Å; H79-R83 PolarHBondContact O-N 3.08Å; H79-F106 AromaticContact CD2-CE2 3.63Å; H79-F106 AromaticContact CD2-CZ 3.62Å; H79-F106 AromaticContact NE2-CE2 3.89Å
80L92.9Very high91.1Very high6 Ų668 Ų683%0.03133%0.332CS..Hα-helixtrans-56.1-48.5177.4-171.269.2000111.5L56 L60 A76 I77 K82 R83 S84 F106 V114 L116L56-L80 HydrophobicContact CD2-CD2 4.36Å; L60-L80 HydrophobicContact CD1-CD2 3.71Å; A76-L80 WeakPolarHBondContact O-CB 3.27Å; A76-L80 PolarHBondContact O-N 3.1Å; I77-L80 PolarHBondContact O-N 2.92Å; L80-K82 PolarHBondContact O-N 2.68Å; L80-R83 PolarHBondContact O-N 2.85Å; L80-S84 VanDerWaalsContact O-CB 3.27Å; L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 2.92Å; L80-S84 PolarHBondContact O-OG 3.29Å; L80-F106 HydrophobicContact CD1-CB 3.36Å; L80-F106 HydrophobicContact CD1-CD1 3.94Å; L80-F106 HydrophobicContact CD1-CD2 3.82Å; L80-F106 HydrophobicContact CD1-CG 3.42Å; L80-F106 VanDerWaalsContact CD1-CG 3.42Å; L80-V114 HydrophobicContact CD2-CG1 4.29Å; L80-L116 HydrophobicContact CD1-CD1 3.68Å; L80-L116 HydrophobicContact CD2-CD1 4.02Å; L80-L116 HydrophobicContact CD2-CD2 3.9Å; L80-L116 HydrophobicContact CD2-CG 4.43Å; L80-L116 HydrophobicContact CG-CD1 4.07Å; L80-L116 HydrophobicContact CG-CD2 4.08Å
81K95.6Very high92.5Very high12 Ų1263.8 Ų63.85%0.05231%0.313CS..Hα-helixtrans-54.2-53.7175-177.2-170.276-168.60111.6G49 L52 S53 L56 I77 H79 R83 C85 F172G49-K81 PolarHBondContact O-NZ 2.99Å; L52-K81 HydrophobicContact CB-CD 4.03Å; S53-K81 PolarHBondContact OG-NZ 3.32Å; L56-K81 HydrophobicContact CD2-CB 3.66Å; L56-K81 HydrophobicContact CD2-CG 4.35Å; I77-K81 VanDerWaalsContact O-CB 3.32Å; I77-K81 WeakPolarHBondContact O-CB 3.28Å; I77-K81 PolarHBondContact O-N 3.43Å; H79-K81 VanDerWaalsContact C-N 3.34Å; H79-K81 PolarHBondContact O-N 3.36Å; K81-R83 PolarHBondContact O-N 2.81Å; K81-C85 HydrophobicContact CG-CB 4.48Å; K81-C85 VanDerWaalsContact O-CB 3.25Å; K81-C85 WeakPolarHBondContact O-CB 3.44Å; K81-C85 PolarHBondContact O-N 3.23Å; K81-C85 VanDerWaalsContact O-N 3.08Å; K81-F172 HydrophobicContact CD-CZ 3.93Å; K81-F172 HydrophobicContact CG-CE1 3.89Å; K81-F172 HydrophobicContact CG-CZ 3.8Å
82K95.4Very high93.7Very high156 Ų15663.5 Ų63.568%0.67829%0.294SS*.Hα-helixtrans-62.8-31.9-177.1-74.4178.1176.7-170.80112.7T78 H79 L80T78-K82 HydrophobicContact CG2-CD 4.43Å; T78-K82 VanDerWaalsContact O-CG 3.31Å; T78-K82 WeakPolarHBondContact O-CG 3.08Å; T78-K82 PolarHBondContact O-N 3Å; T78-K82 VanDerWaalsContact O-N 3.13Å; H79-K82 PolarHBondContact O-N 3.37Å; L80-K82 PolarHBondContact O-N 2.68Å
83R94.3Very high94.4Very high182 Ų18262.3 Ų62.369%0.68729%0.289SS*.Hα-helixtrans-93.1-27-172.4-152.6175.3178.6-178.8-4.5113.5H79 L80 K81H79-R83 WeakPolarHBondContact O-CB 3.16Å; H79-R83 PolarHBondContact O-N 3.08Å; L80-R83 PolarHBondContact O-N 2.85Å; K81-R83 PolarHBondContact O-N 2.81Å
84S94.1Very high94.8Very high11 Ų1159.9 Ų59.98%0.07727%0.272CS..Hα-helixtrans-116.8-30.2-169-40.70000113.3L80 R120L80-S84 VanDerWaalsContact O-CB 3.27Å; L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 2.92Å; L80-S84 PolarHBondContact O-OG 3.29Å; S84-R120 PolarHBondContact O-NE 2.84Å; S84-R120 PolarHBondContact O-NH2 2.8Å
85C97.4Very high95.1Very high3 Ų353 Ų532%0.0225%0.251CS..  trans-78.6151.3-175.5-63.70000112.6K81 R120 C123 F172K81-C85 HydrophobicContact CG-CB 4.48Å; K81-C85 VanDerWaalsContact O-CB 3.25Å; K81-C85 WeakPolarHBondContact O-CB 3.44Å; K81-C85 PolarHBondContact O-N 3.23Å; K81-C85 VanDerWaalsContact O-N 3.08Å; C85-R120 WeakPolarHBondContact CA-O 3.37Å; C85-R120 WeakPolarHBondContact CB-O 3.41Å; C85-C123 HydrophobicContact CB-CB 4.43Å; C85-C123 VanDerWaalsContact SG-CB 3.56Å; C85-C123 VanDerWaalsContact SG-SG 3.63Å; C85-F172 HydrophobicContact CB-CD1 4Å; C85-F172 HydrophobicContact CB-CE1 3.69Å
86Y98.1Very high95.3Very high33 Ų3353.4 Ų53.413%0.12925%0.247CC..  trans-147.7159.9177.863.7-87.3000109.6H102 R120 F121 P124Y86-H102 PolarHBondContact OH-ND1 3.26Å; Y86-R120 HydrophobicContact CD1-CB 3.96Å; Y86-R120 HydrophobicContact CE1-CB 3.65Å; Y86-R120 PolarHBondContact N-O 2.89Å; Y86-R120 VanDerWaalsContact N-O 3.15Å; Y86-F121 HydrophobicContact CD2-CB 4.2Å; Y86-F121 HydrophobicContact CE1-CB 4.35Å; Y86-F121 HydrophobicContact CE2-CB 3.73Å; Y86-F121 VanDerWaalsContact O-CA 3.3Å; Y86-F121 WeakPolarHBondContact O-CA 3.43Å; Y86-P124 WeakPolarHBondContact O-CG 3.36Å
87V98.4Very high95.5Very high7 Ų755 Ų554%0.04225%0.253CS..  trans-92.3125.8176.3177.10000108.9P124 F128 F172 P173 F175 R178V87-P124 HydrophobicContact CG2-CB 3.99Å; V87-P124 HydrophobicContact CG2-CG 4.02Å; V87-F128 HydrophobicContact CB-CE2 4.47Å; V87-F128 HydrophobicContact CG1-CD2 4.36Å; V87-F128 HydrophobicContact CG1-CE2 3.6Å; V87-F128 HydrophobicContact CG1-CZ 3.84Å; V87-F128 HydrophobicContact CG2-CE2 3.95Å; V87-F128 HydrophobicContact CG2-CZ 4.47Å; V87-F172 HydrophobicContact CG2-CB 3.85Å; V87-P173 PolarHBondContact N-O 2.9Å; V87-F175 HydrophobicContact CG2-CB 4Å; V87-F175 HydrophobicContact CG2-CD2 4Å; V87-F175 HydrophobicContact CG2-CG 4.48Å; V87-R178 HydrophobicContact CG1-CB 3.51Å; V87-R178 HydrophobicContact CG1-CG 3.67Å
88S97.7Very high95.4Very high3 Ų359.9 Ų59.92%0.02128%0.283CS..  trans-75.8148.3172.5170.90000111.1D90 F91 D94 R178S88-D90 PolarHBondContact OG-N 3.44Å; S88-D90 VanDerWaalsContact OG-N 3.1Å; S88-D90 PolarHBondContact OG-O 2.66Å; S88-F91 PolarHBondContact OG-N 2.81Å; S88-D94 WeakPolarHBondContact CB-OD2 3.37Å; S88-D94 PolarHBondContact OG-OD2 3.49Å; S88-R178 WeakPolarHBondContact O-CD 3.38Å; S88-R178 PolarHBondContact O-NH1 2.62Å
89L97Very high95.3Very high86 Ų8662 Ų6245%0.4531%0.305SS..SBendtrans-87.4-17.1172.4-65.7-179.7000113.7E177 R178 K181L89-E177 HydrophobicContact CD2-CB 3.96Å; L89-R178 HydrophobicContact CD2-CB 4Å; L89-K181 PolarHBondContact O-NZ 3.47Å
90D96.1Very high95.1Very high75 Ų7563.2 Ų63.240%0.40131%0.306SS..SBendtrans-144.378.8179.5179.616.6000109S88 E92 G93 D94 R100S88-D90 PolarHBondContact OG-N 3.44Å; S88-D90 VanDerWaalsContact OG-N 3.1Å; S88-D90 PolarHBondContact OG-O 2.66Å; D90-E92 VanDerWaalsContact C-N 3.35Å; D90-E92 PolarHBondContact O-N 2.88Å; D90-G93 PolarHBondContact O-N 2.98Å; D90-G93 PolarHBondContact OD1-N 3.35Å; D90-G93 VanDerWaalsContact OD1-N 3.12Å; D90-G93 WeakPolarHBondContact OD2-CA 3.02Å; D90-D94 PolarHBondContact O-N 3.22Å; D90-R100 IonicContact OD2-NH1 2.87Å
91F96.6Very high95Very high9 Ų964.2 Ų64.24%0.03931%0.31CS..Hα-helixtrans-57.1-45.3-174.4177.9-108.2000112.9S88 D94 L95 F121 R122 E125 L132S88-F91 PolarHBondContact OG-N 2.81Å; F91-D94 PolarHBondContact O-N 3.16Å; F91-L95 HydrophobicContact CD1-CD1 3.94Å; F91-L95 HydrophobicContact CE1-CD1 3.34Å; F91-L95 HydrophobicContact CE1-CG 4.13Å; F91-L95 HydrophobicContact CE2-CD1 4.24Å; F91-L95 HydrophobicContact CE2-CD2 4.43Å; F91-L95 HydrophobicContact CE2-CG 4.19Å; F91-L95 HydrophobicContact CZ-CD1 3.51Å; F91-L95 HydrophobicContact CZ-CD2 4.24Å; F91-L95 HydrophobicContact CZ-CG 3.96Å; F91-L95 WeakPolarHBondContact O-CG 3.13Å; F91-L95 PolarHBondContact O-N 3.21Å; F91-F121 AromaticContact CD2-CD2 3.82Å; F91-F121 HydrophobicContact CD2-CD2 3.82Å; F91-F121 HydrophobicContact CD2-CE2 4.01Å; F91-F121 AromaticContact CE2-CD2 3.89Å; F91-F121 HydrophobicContact CE2-CD2 3.89Å; F91-F121 AromaticContact CE2-CE2 3.94Å; F91-F121 HydrophobicContact CE2-CE2 3.94Å; F91-R122 HydrophobicContact CE2-CB 4.47Å; F91-R122 HydrophobicContact CE2-CG 3.9Å; F91-R122 HydrophobicContact CZ-CG 4.28Å; F91-E125 HydrophobicContact CD1-CG 3.99Å; F91-E125 HydrophobicContact CD2-CB 4.03Å; F91-E125 HydrophobicContact CD2-CG 3.64Å; F91-E125 HydrophobicContact CE1-CG 4Å; F91-E125 HydrophobicContact CE2-CB 3.81Å; F91-E125 HydrophobicContact CE2-CG 3.67Å; F91-E125 HydrophobicContact CG-CG 3.81Å; F91-E125 HydrophobicContact CZ-CB 4.25Å; F91-E125 HydrophobicContact CZ-CG 3.84Å; F91-L132 HydrophobicContact CE1-CD1 4.33Å; F91-L132 HydrophobicContact CZ-CD1 4.11Å
92E96Very high94.8Very high93 Ų9369.1 Ų69.144%0.43533%0.333SS..Hα-helixtrans-70.2-35.1-179.9-64.3-58.1143.700112.3D90 R96D90-E92 VanDerWaalsContact C-N 3.35Å; D90-E92 PolarHBondContact O-N 2.88Å; E92-R96 WeakPolarHBondContact O-CG 3.48Å; E92-R96 PolarHBondContact O-N 3.29Å; E92-R96 PolarHBondContact O-NE 3.33Å
93G95.9Very high94.6Very high4 Ų466.4 Ų66.44%0.04133%0.332CS..Hα-helixtrans-61.2-50.217100000111.9D90 L95 R96 D97D90-G93 PolarHBondContact O-N 2.98Å; D90-G93 PolarHBondContact OD1-N 3.35Å; D90-G93 VanDerWaalsContact OD1-N 3.12Å; D90-G93 WeakPolarHBondContact OD2-CA 3.02Å; G93-L95 VanDerWaalsContact C-N 3.32Å; G93-L95 PolarHBondContact O-N 3.38Å; G93-R96 PolarHBondContact O-N 3.49Å; G93-D97 PolarHBondContact O-N 3.43Å
94D95.8Very high94.3Very high23 Ų2359.1 Ų59.112%0.12331%0.31CS..Hα-helixtrans-67.3-31.6-179.2-69.3-10000112.3S88 D90 F91 R96 R100 H101 F121S88-D94 WeakPolarHBondContact CB-OD2 3.37Å; S88-D94 PolarHBondContact OG-OD2 3.49Å; D90-D94 PolarHBondContact O-N 3.22Å; F91-D94 PolarHBondContact O-N 3.16Å; D94-R96 VanDerWaalsContact C-N 3.33Å; D94-R96 PolarHBondContact O-N 3.18Å; D94-R100 WeakPolarHBondContact OD1-CD 3.36Å; D94-H101 PolarHBondContact O-CD2 3.36Å; D94-H101 VanDerWaalsContact O-CD2 3.28Å; D94-H101 PolarHBondContact O-NE2 3Å; D94-F121 HydrophobicContact CB-CD2 4.38Å; D94-F121 HydrophobicContact CB-CE1 4.18Å; D94-F121 HydrophobicContact CB-CE2 3.9Å; D94-F121 HydrophobicContact CB-CZ 3.79Å
95L94.8Very high94Very high65 Ų6562.8 Ų62.834%0.3434%0.336SS..Hα-helixtrans-64.3-36173.6-81.7-179000113.2F91 G93 F121 R122F91-L95 HydrophobicContact CD1-CD1 3.94Å; F91-L95 HydrophobicContact CE1-CD1 3.34Å; F91-L95 HydrophobicContact CE1-CG 4.13Å; F91-L95 HydrophobicContact CE2-CD1 4.24Å; F91-L95 HydrophobicContact CE2-CD2 4.43Å; F91-L95 HydrophobicContact CE2-CG 4.19Å; F91-L95 HydrophobicContact CZ-CD1 3.51Å; F91-L95 HydrophobicContact CZ-CD2 4.24Å; F91-L95 HydrophobicContact CZ-CG 3.96Å; F91-L95 WeakPolarHBondContact O-CG 3.13Å; F91-L95 PolarHBondContact O-N 3.21Å; G93-L95 VanDerWaalsContact C-N 3.32Å; G93-L95 PolarHBondContact O-N 3.38Å; L95-F121 HydrophobicContact CD2-CE2 3.92Å; L95-F121 HydrophobicContact CD2-CZ 4.16Å; L95-F121 HydrophobicContact CG-CE2 4.11Å; L95-R122 HydrophobicContact CD2-CG 4.01Å
96R95.8Very high93.3Very high195 Ų19564.4 Ų64.474%0.73634%0.343SS*.Hα-helixtrans-84-25.5-175.6-70179.5-65.5-158.52.4113.5E92 G93 D94E92-R96 WeakPolarHBondContact O-CG 3.48Å; E92-R96 PolarHBondContact O-N 3.29Å; E92-R96 PolarHBondContact O-NE 3.33Å; G93-R96 PolarHBondContact O-N 3.49Å; D94-R96 VanDerWaalsContact C-N 3.33Å; D94-R96 PolarHBondContact O-N 3.18Å
97D94.1Very high92.5Very high57 Ų5767.2 Ų67.231%0.30537%0.367SS..  trans-117.1100.3-172.8-175-1.4000111.2G93 A99 R100 H101G93-D97 PolarHBondContact O-N 3.43Å; D97-A99 PolarHBondContact O-N 3.1Å; D97-A99 VanDerWaalsContact OD1-CB 3.25Å; D97-A99 WeakPolarHBondContact OD1-CB 3.4Å; D97-A99 PolarHBondContact OD1-N 3.19Å; D97-R100 HydrophobicContact CB-CG 4.03Å; D97-R100 WeakPolarHBondContact O-CB 3.31Å; D97-R100 PolarHBondContact O-N 2.87Å; D97-R100 VanDerWaalsContact O-N 3.13Å; D97-R100 WeakPolarHBondContact OD2-CG 3.37Å; D97-R100 IonicContact OD2-CZ 2.7Å; D97-R100 IonicContact OD2-NE 2.73Å; D97-R100 PolarHBondContact OD2-NE 3.17Å; D97-R100 IonicContact OD2-NH2 3.11Å; D97-H101 PolarHBondContact O-CD2 3.11Å
98T90.7Very high91.3Very high109 Ų10968.5 Ų68.567%0.66937%0.373SS*.G310 helixtrans-64.9-20.7178.853.90000113R100 H101T98-R100 PolarHBondContact O-N 3.18Å; T98-H101 VanDerWaalsContact O-CB 3.28Å; T98-H101 WeakPolarHBondContact O-CB 3.42Å; T98-H101 PolarHBondContact O-N 3.33Å; T98-H101 VanDerWaalsContact O-N 3.08Å
99A91.3Very high90Very high88 Ų8872.9 Ų72.973%0.72742%0.419SS*.G310 helixtrans-70.1-19.8176.400000112.4D97 H101D97-A99 PolarHBondContact O-N 3.1Å; D97-A99 VanDerWaalsContact OD1-CB 3.25Å; D97-A99 WeakPolarHBondContact OD1-CB 3.4Å; D97-A99 PolarHBondContact OD1-N 3.19Å; A99-H101 VanDerWaalsContact C-N 3.3Å
100R89.9Confident88.7Confident110 Ų11073.9 Ų73.942%0.41543%0.425SS..G310 helixtrans-84.1-7.1172.9-58.9177.8-169.1-161.8-3112.7D90 D94 D97 T98 H102D90-R100 IonicContact OD2-NH1 2.87Å; D94-R100 WeakPolarHBondContact OD1-CD 3.36Å; D97-R100 HydrophobicContact CB-CG 4.03Å; D97-R100 WeakPolarHBondContact O-CB 3.31Å; D97-R100 PolarHBondContact O-N 2.87Å; D97-R100 VanDerWaalsContact O-N 3.13Å; D97-R100 WeakPolarHBondContact OD2-CG 3.37Å; D97-R100 IonicContact OD2-CZ 2.7Å; D97-R100 IonicContact OD2-NE 2.73Å; D97-R100 PolarHBondContact OD2-NE 3.17Å; D97-R100 IonicContact OD2-NH2 3.11Å; T98-R100 PolarHBondContact O-N 3.18Å; R100-H102 PolarHBondContact O-CE1 3.13Å; R100-H102 PolarHBondContact O-ND1 3.2Å
101H91Very high87.4Confident28 Ų2873.9 Ų73.913%0.1344%0.442CS..  trans-73.7136.5179-63.3-175.3000109D94 D97 T98 A99 P103 S117 F121D94-H101 PolarHBondContact O-CD2 3.36Å; D94-H101 VanDerWaalsContact O-CD2 3.28Å; D94-H101 PolarHBondContact O-NE2 3Å; D97-H101 PolarHBondContact O-CD2 3.11Å; T98-H101 VanDerWaalsContact O-CB 3.28Å; T98-H101 WeakPolarHBondContact O-CB 3.42Å; T98-H101 PolarHBondContact O-N 3.33Å; T98-H101 VanDerWaalsContact O-N 3.08Å; A99-H101 VanDerWaalsContact C-N 3.3Å; H101-P103 WeakPolarHBondContact O-CD 3.47Å; H101-S117 WeakPolarHBondContact CB-OG 3.44Å; H101-S117 PolarHBondContact ND1-OG 3.39Å; H101-S117 VanDerWaalsContact ND1-OG 3.17Å; H101-F121 AromaticContact CD2-CE1 3.75Å; H101-F121 AromaticContact NE2-CE1 3.91Å; H101-F121 AromaticContact NE2-CZ 3.9Å
102H90.5Very high86.4Confident115 Ų11574.5 Ų74.553%0.53245%0.447SS..  trans-107.689.6175.1-59.883.5000106.6Y86 R100 R120Y86-H102 PolarHBondContact OH-ND1 3.26Å; R100-H102 PolarHBondContact O-CE1 3.13Å; R100-H102 PolarHBondContact O-ND1 3.2Å; H102-R120 WeakPolarHBondContact O-CD 3.37Å; H102-R120 PolarHBondContact O-NH1 3.31Å
103P90.4Very high85.7Confident99 Ų9973.1 Ų73.164%0.64345%0.447SS*.  trans-67.8150.8-178.826.4-33.2000111.5H101 L116H101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-L116 CarbonylContact C-O 3.56Å; P103-L116 WeakPolarHBondContact CA-O 3.1Å
104A89.5Confident85.2Confident29 Ų2973 Ų7324%0.2445%0.446CS..EExtended strand (participates in β ladder)trans-141.9138.2174.500000109.9L116A104-L116 PolarHBondContact N-O 3.48Å; A104-L116 PolarHBondContact O-N 2.88Å
105S86.8Confident84.9Confident88 Ų8875.6 Ų75.662%0.61547%0.465SS*.EExtended strand (participates in β ladder)trans-104.4142.5173.954.80000110.5V114S105-V114 CarbonylContact C-O 3.45Å; S105-V114 WeakPolarHBondContact CA-O 3.36Å
106F82.8Confident84.7Confident37 Ų3772.6 Ų72.616%0.16245%0.449CS..EExtended strand (participates in β ladder)trans-127.4111.2177.8-174.9-91.2000109.9H79 L80 C113 V114H79-F106 AromaticContact CD2-CE2 3.63Å; H79-F106 AromaticContact CD2-CZ 3.62Å; H79-F106 AromaticContact NE2-CE2 3.89Å; L80-F106 HydrophobicContact CD1-CB 3.36Å; L80-F106 HydrophobicContact CD1-CD1 3.94Å; L80-F106 HydrophobicContact CD1-CD2 3.82Å; L80-F106 HydrophobicContact CD1-CG 3.42Å; L80-F106 VanDerWaalsContact CD1-CG 3.42Å; F106-C113 WeakPolarHBondContact O-CA 3.42Å; F106-V114 PolarHBondContact N-O 3.41Å; F106-V114 PolarHBondContact O-N 3.36Å
107S81.1Confident84.7Confident92 Ų9265.1 Ų65.164%0.64343%0.426SS*.EExtended strand (participates in β ladder)trans-77.8122.7173.3-530000110.1
108M72.8Confident84.8Confident33 Ų3363.2 Ų63.216%0.16342%0.417CS..  trans-84.4141.1168.2-166.4159.9-54.300108.3L72 A76 N110 G111 C112L72-M108 HydrophobicContact CD2-CE 3.44Å; L72-M108 VanDerWaalsContact CD2-CE 3.44Å; L72-M108 HydrophobicContact CD2-SD 4Å; A76-M108 HydrophobicContact CB-CE 4.18Å; M108-N110 WeakPolarHBondContact CB-OD1 3.36Å; M108-N110 VanDerWaalsContact CG-OD1 3.27Å; M108-N110 WeakPolarHBondContact CG-OD1 3.2Å; M108-N110 PolarHBondContact O-N 2.87Å; M108-N110 PolarHBondContact O-OD1 2.86Å; M108-G111 PolarHBondContact O-N 2.95Å; M108-C112 HydrophobicContact CB-CB 4.28Å; M108-C112 VanDerWaalsContact CB-O 3.29Å; M108-C112 WeakPolarHBondContact CB-O 3.33Å; M108-C112 PolarHBondContact N-O 2.84Å
109G70.6Confident85Confident95 Ų9558.8 Ų58.898%0.97939%0.389SS*.THydrogen-bonded Turntrans-60.8-1.9-175.600000115.6
110N70.1Confident85.3Confident108 Ų10856.7 Ų56.758%0.57836%0.363SS*.THydrogen-bonded Turntrans-95.99.7172.266.1-8.3000113.3M108 C112M108-N110 WeakPolarHBondContact CB-OD1 3.36Å; M108-N110 VanDerWaalsContact CG-OD1 3.27Å; M108-N110 WeakPolarHBondContact CG-OD1 3.2Å; M108-N110 PolarHBondContact O-N 2.87Å; M108-N110 PolarHBondContact O-OD1 2.86Å; N110-C112 VanDerWaalsContact C-N 3.3Å; N110-C112 PolarHBondContact O-N 2.89Å; N110-C112 WeakPolarHBondContact OD1-CB 3.48Å; N110-C112 PolarHBondContact OD1-N 2.86Å
111G69.9Low85.7Confident74 Ų7451.4 Ų51.476%0.76334%0.343SS*.SBendtrans83.7-5.7-17800000115M108M108-G111 PolarHBondContact O-N 2.95Å
112C74.4Confident86Confident22 Ų2253.9 Ų53.915%0.14935%0.351CS..  trans-75134.1173.5-177.30000110.3M108 N110M108-C112 HydrophobicContact CB-CB 4.28Å; M108-C112 VanDerWaalsContact CB-O 3.29Å; M108-C112 WeakPolarHBondContact CB-O 3.33Å; M108-C112 PolarHBondContact N-O 2.84Å; N110-C112 VanDerWaalsContact C-N 3.3Å; N110-C112 PolarHBondContact O-N 2.89Å; N110-C112 WeakPolarHBondContact OD1-CB 3.48Å; N110-C112 PolarHBondContact OD1-N 2.86Å
113C81.6Confident86.4Confident64 Ų6448.4 Ų48.443%0.43233%0.326SS..EExtended strand (participates in β ladder)trans-112.7129.8176.2-167.80000110.2F106F106-C113 WeakPolarHBondContact O-CA 3.42Å
114V85.6Confident86.8Confident2 Ų243.8 Ų43.81%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-106.3116.4175.3-178.90000108.8L60 L67 L80 S105 F106 L116L60-V114 HydrophobicContact CD1-CG1 4.33Å; L60-V114 HydrophobicContact CD2-CG1 3.76Å; L67-V114 HydrophobicContact CD1-CG1 4.41Å; L67-V114 HydrophobicContact CD2-CG2 4.35Å; L80-V114 HydrophobicContact CD2-CG1 4.29Å; S105-V114 CarbonylContact C-O 3.45Å; S105-V114 WeakPolarHBondContact CA-O 3.36Å; F106-V114 PolarHBondContact N-O 3.41Å; F106-V114 PolarHBondContact O-N 3.36Å; V114-L116 HydrophobicContact CG1-CD1 4.14Å; V114-L116 HydrophobicContact CG1-CG 4.48Å
115C88.6Confident87.2Confident78 Ų7842.4 Ų42.453%0.52728%0.284SS..EExtended strand (participates in β ladder)trans-91.2130.4173-650000109.9
116L91.9Very high87.7Confident2 Ų238.2 Ų38.21%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-117.8136.1174.1-58.194.8000108.9L56 L60 L80 P103 A104 V114 E119 R120L56-L116 HydrophobicContact CD1-CD2 4.06Å; L60-L116 HydrophobicContact CD2-CD2 3.91Å; L60-L116 HydrophobicContact CD2-CG 3.89Å; L80-L116 HydrophobicContact CD1-CD1 3.68Å; L80-L116 HydrophobicContact CD2-CD1 4.02Å; L80-L116 HydrophobicContact CD2-CD2 3.9Å; L80-L116 HydrophobicContact CD2-CG 4.43Å; L80-L116 HydrophobicContact CG-CD1 4.07Å; L80-L116 HydrophobicContact CG-CD2 4.08Å; P103-L116 CarbonylContact C-O 3.56Å; P103-L116 WeakPolarHBondContact CA-O 3.1Å; A104-L116 PolarHBondContact N-O 3.48Å; A104-L116 PolarHBondContact O-N 2.88Å; V114-L116 HydrophobicContact CG1-CD1 4.14Å; V114-L116 HydrophobicContact CG1-CG 4.48Å; L116-E119 HydrophobicContact CD2-CB 4.44Å; L116-R120 HydrophobicContact CB-CG 3.61Å; L116-R120 HydrophobicContact CD2-CG 4.39Å
117S94.5Very high88.5Confident37 Ų3736.4 Ų36.426%0.25925%0.247SC..SBendtrans-122.7-100170.3-175.60000108.7H101 E119 R120H101-S117 WeakPolarHBondContact CB-OG 3.44Å; H101-S117 PolarHBondContact ND1-OG 3.39Å; H101-S117 VanDerWaalsContact ND1-OG 3.17Å; S117-E119 PolarHBondContact N-OE2 2.85Å; S117-E119 PolarHBondContact O-N 2.9Å; S117-R120 WeakPolarHBondContact O-CB 3.42Å; S117-R120 WeakPolarHBondContact O-CG 3.34Å; S117-R120 PolarHBondContact O-N 2.94Å
118S96.3Very high89.3Confident17 Ų1732.5 Ų32.512%0.11922%0.218CC..THydrogen-bonded Turntrans-63.4-24.8-178.6750000113.8R120 F121 R122S118-R120 PolarHBondContact O-N 3.12Å; S118-R120 VanDerWaalsContact O-N 3.1Å; S118-F121 VanDerWaalsContact CA-CE1 3.47Å; S118-F121 WeakPolarHBondContact O-CD1 3.43Å; S118-F121 PolarHBondContact O-N 3.21Å; S118-R122 WeakPolarHBondContact O-CB 3.28Å; S118-R122 WeakPolarHBondContact O-CG 3.47Å; S118-R122 PolarHBondContact O-N 2.98Å; S118-R122 WeakPolarHBondContact OG-CD 3.36Å
119E96.3Very high90.5Very high17 Ų1734.2 Ų34.28%0.07923%0.226CC..Hα-helixtrans-59.9-27.1-179.5-54.972.9-15200111.5L56 L59 L60 A63 L116 S117 F121 C123L56-E119 HydrophobicContact CD1-CB 4.09Å; L59-E119 HydrophobicContact CB-CB 4.28Å; L59-E119 HydrophobicContact CB-CG 3.89Å; L59-E119 HydrophobicContact CD1-CB 4.43Å; L60-E119 HydrophobicContact CD2-CG 4.41Å; A63-E119 WeakPolarHBondContact CB-OE1 3.48Å; L116-E119 HydrophobicContact CD2-CB 4.44Å; S117-E119 PolarHBondContact N-OE2 2.85Å; S117-E119 PolarHBondContact O-N 2.9Å; E119-F121 PolarHBondContact O-N 3.17Å; E119-C123 WeakPolarHBondContact O-CB 3.41Å; E119-C123 PolarHBondContact O-N 3.13Å
120R97.1Very high91.8Very high43 Ų4329.9 Ų29.916%0.16218%0.18CC..Hα-helixtrans-61-44.2179.8-61.6-178.366.8-167.7-4.2112.1S84 C85 Y86 H102 L116 S117 S118 P124S84-R120 PolarHBondContact O-NE 2.84Å; S84-R120 PolarHBondContact O-NH2 2.8Å; C85-R120 WeakPolarHBondContact CA-O 3.37Å; C85-R120 WeakPolarHBondContact CB-O 3.41Å; Y86-R120 HydrophobicContact CD1-CB 3.96Å; Y86-R120 HydrophobicContact CE1-CB 3.65Å; Y86-R120 PolarHBondContact N-O 2.89Å; Y86-R120 VanDerWaalsContact N-O 3.15Å; H102-R120 WeakPolarHBondContact O-CD 3.37Å; H102-R120 PolarHBondContact O-NH1 3.31Å; L116-R120 HydrophobicContact CB-CG 3.61Å; L116-R120 HydrophobicContact CD2-CG 4.39Å; S117-R120 WeakPolarHBondContact O-CB 3.42Å; S117-R120 WeakPolarHBondContact O-CG 3.34Å; S117-R120 PolarHBondContact O-N 2.94Å; S118-R120 PolarHBondContact O-N 3.12Å; S118-R120 VanDerWaalsContact O-N 3.1Å; R120-P124 WeakPolarHBondContact O-CD 3.28Å
121F97.8Very high93Very high0 Ų027.2 Ų27.20%018%0.178CC..Hα-helixtrans-97.1-23.8-179.768.9-99.2000113.7Y86 F91 D94 L95 H101 S118 E119 P124Y86-F121 HydrophobicContact CD2-CB 4.2Å; Y86-F121 HydrophobicContact CE1-CB 4.35Å; Y86-F121 HydrophobicContact CE2-CB 3.73Å; Y86-F121 VanDerWaalsContact O-CA 3.3Å; Y86-F121 WeakPolarHBondContact O-CA 3.43Å; F91-F121 AromaticContact CD2-CD2 3.82Å; F91-F121 HydrophobicContact CD2-CD2 3.82Å; F91-F121 HydrophobicContact CD2-CE2 4.01Å; F91-F121 AromaticContact CE2-CD2 3.89Å; F91-F121 HydrophobicContact CE2-CD2 3.89Å; F91-F121 AromaticContact CE2-CE2 3.94Å; F91-F121 HydrophobicContact CE2-CE2 3.94Å; D94-F121 HydrophobicContact CB-CD2 4.38Å; D94-F121 HydrophobicContact CB-CE1 4.18Å; D94-F121 HydrophobicContact CB-CE2 3.9Å; D94-F121 HydrophobicContact CB-CZ 3.79Å; L95-F121 HydrophobicContact CD2-CE2 3.92Å; L95-F121 HydrophobicContact CD2-CZ 4.16Å; L95-F121 HydrophobicContact CG-CE2 4.11Å; H101-F121 AromaticContact CD2-CE1 3.75Å; H101-F121 AromaticContact NE2-CE1 3.91Å; H101-F121 AromaticContact NE2-CZ 3.9Å; S118-F121 VanDerWaalsContact CA-CE1 3.47Å; S118-F121 WeakPolarHBondContact O-CD1 3.43Å; S118-F121 PolarHBondContact O-N 3.21Å; E119-F121 PolarHBondContact O-N 3.17Å; F121-P124 WeakPolarHBondContact O-CD 3.47Å
122R98.1Very high94.3Very high80 Ų8026.9 Ų26.930%0.30216%0.159SC..Hα-helixtrans-67.3-37.1171.8-68.117270.9-171.74.5112.1Y55 L59 F91 L95 S118 E125 P126Y55-R122 WeakPolarHBondContact CE1-O 3.14Å; L59-R122 HydrophobicContact CD1-CB 3.88Å; F91-R122 HydrophobicContact CE2-CB 4.47Å; F91-R122 HydrophobicContact CE2-CG 3.9Å; F91-R122 HydrophobicContact CZ-CG 4.28Å; L95-R122 HydrophobicContact CD2-CG 4.01Å; S118-R122 WeakPolarHBondContact O-CB 3.28Å; S118-R122 WeakPolarHBondContact O-CG 3.47Å; S118-R122 PolarHBondContact O-N 2.98Å; S118-R122 WeakPolarHBondContact OG-CD 3.36Å; R122-E125 PolarHBondContact O-N 2.93Å; R122-P126 WeakPolarHBondContact O-CD 3.21Å
123C98.1Very high95.3Very high0 Ų028.3 Ų28.30%017%0.165CC..THydrogen-bonded Turntrans-53.7-49.3-177.4169.40000114.7L52 L56 C85 E119 P126L52-C123 WeakPolarHBondContact CD2-O 3.39Å; L56-C123 HydrophobicContact CB-CB 4.37Å; L56-C123 HydrophobicContact CD1-CB 4.06Å; C85-C123 HydrophobicContact CB-CB 4.43Å; C85-C123 VanDerWaalsContact SG-CB 3.56Å; C85-C123 VanDerWaalsContact SG-SG 3.63Å; E119-C123 WeakPolarHBondContact O-CB 3.41Å; E119-C123 PolarHBondContact O-N 3.13Å; C123-P126 WeakPolarHBondContact O-CD 3.31Å
124P98.3Very high95.9Very high1 Ų128.8 Ų28.81%0.00618%0.18CC..THydrogen-bonded Turntrans-83.3-13.6179.430.9-35.6000115.1L52 Y86 V87 R120 F121 P126 I127 F172L52-P124 HydrophobicContact CD1-CB 4.47Å; Y86-P124 WeakPolarHBondContact O-CG 3.36Å; V87-P124 HydrophobicContact CG2-CB 3.99Å; V87-P124 HydrophobicContact CG2-CG 4.02Å; R120-P124 WeakPolarHBondContact O-CD 3.28Å; F121-P124 WeakPolarHBondContact O-CD 3.47Å; P124-P126 VanDerWaalsContact C-N 3.28Å; P124-P126 VanDerWaalsContact O-N 3.15Å; P124-I127 PolarHBondContact O-N 3.07Å; P124-I127 VanDerWaalsContact O-N 3.08Å; P124-F172 HydrophobicContact CB-CD2 3.85Å; P124-F172 HydrophobicContact CB-CE2 3.92Å; P124-F172 HydrophobicContact CB-CG 4.3Å; P124-F172 HydrophobicContact CB-CZ 4.4Å
125E98.5Very high96.1Very high0 Ų031.8 Ų31.80%019%0.194CC..G310 helixtrans-53.9-34-176.7-169.864.8-159.800113.9F91 R122 I127 F128 Q129 L132 R178F91-E125 HydrophobicContact CD1-CG 3.99Å; F91-E125 HydrophobicContact CD2-CB 4.03Å; F91-E125 HydrophobicContact CD2-CG 3.64Å; F91-E125 HydrophobicContact CE1-CG 4Å; F91-E125 HydrophobicContact CE2-CB 3.81Å; F91-E125 HydrophobicContact CE2-CG 3.67Å; F91-E125 HydrophobicContact CG-CG 3.81Å; F91-E125 HydrophobicContact CZ-CB 4.25Å; F91-E125 HydrophobicContact CZ-CG 3.84Å; R122-E125 PolarHBondContact O-N 2.93Å; E125-I127 PolarHBondContact O-N 3.17Å; E125-F128 CarbonylContact O-C 3.56Å; E125-F128 WeakPolarHBondContact O-CA 3.14Å; E125-F128 WeakPolarHBondContact O-CB 3.16Å; E125-F128 PolarHBondContact O-N 3.27Å; E125-Q129 HydrophobicContact CG-CB 4.31Å; E125-Q129 HydrophobicContact CG-CG 4.35Å; E125-Q129 PolarHBondContact O-N 3.35Å; E125-Q129 WeakPolarHBondContact OE1-CG 3.16Å; E125-Q129 PolarHBondContact OE1-NE2 2.9Å; E125-L132 HydrophobicContact CB-CD1 3.81Å; E125-L132 HydrophobicContact CG-CD1 3.52Å; E125-R178 IonicContact OE1-CZ 3.42Å; E125-R178 IonicContact OE1-NH1 3.79Å; E125-R178 IonicContact OE1-NH2 2.88Å; E125-R178 PolarHBondContact OE1-NH2 2.96Å; E125-R178 IonicContact OE2-CZ 2.62Å; E125-R178 IonicContact OE2-NH1 3.47Å; E125-R178 PolarHBondContact OE2-NH1 3.16Å; E125-R178 VanDerWaalsContact OE2-NH1 3.15Å; E125-R178 IonicContact OE2-NH2 3.73Å
126P98.4Very high96.1Very high0 Ų033.3 Ų33.30%021%0.212CC..G310 helixtrans-58.7-15.6176.7-2937000116.6V47 L52 Y55 R122 C123 P124 F128 Q129 P130 L132 L133V47-P126 HydrophobicContact CG1-CB 3.78Å; L52-P126 HydrophobicContact CD2-CB 4.07Å; L52-P126 HydrophobicContact CD2-CG 4.31Å; Y55-P126 HydrophobicContact CD1-CG 3.65Å; Y55-P126 HydrophobicContact CE1-CG 3.56Å; Y55-P126 HydrophobicContact CG-CG 4.46Å; R122-P126 WeakPolarHBondContact O-CD 3.21Å; C123-P126 WeakPolarHBondContact O-CD 3.31Å; P124-P126 VanDerWaalsContact C-N 3.28Å; P124-P126 VanDerWaalsContact O-N 3.15Å; P126-F128 VanDerWaalsContact C-N 3.29Å; P126-Q129 WeakPolarHBondContact CA-O 3.34Å; P126-P130 WeakPolarHBondContact O-CA 3.29Å; P126-L132 HydrophobicContact CG-CB 4.27Å; P126-L133 HydrophobicContact CB-CD1 3.45Å; P126-L133 VanDerWaalsContact CB-CD1 3.45Å; P126-L133 HydrophobicContact CB-CG 3.73Å; P126-L133 HydrophobicContact CG-CD1 4Å; P126-L133 HydrophobicContact CG-CD2 4.28Å; P126-L133 HydrophobicContact CG-CG 3.88Å
127I98.4Very high96.1Very high0 Ų035.6 Ų35.60%024%0.236CC..G310 helixtrans-67.7-34.3169.2-68.4178.6000110.8V47 L52 P124 E125 G139 L140 F175V47-I127 HydrophobicContact CG1-CG1 4.38Å; L52-I127 HydrophobicContact CD1-CD1 3.7Å; L52-I127 HydrophobicContact CD1-CG1 4.07Å; L52-I127 HydrophobicContact CD2-CG1 4.36Å; P124-I127 PolarHBondContact O-N 3.07Å; P124-I127 VanDerWaalsContact O-N 3.08Å; E125-I127 PolarHBondContact O-N 3.17Å; I127-G139 CarbonylContact O-C 3.16Å; I127-G139 VanDerWaalsContact O-CA 3.29Å; I127-G139 WeakPolarHBondContact O-CA 3.47Å; I127-L140 HydrophobicContact CG2-CB 3.71Å; I127-L140 HydrophobicContact CG2-CD2 3.84Å; I127-L140 HydrophobicContact CG2-CG 4.46Å; I127-L140 PolarHBondContact O-N 3.14Å; I127-F175 HydrophobicContact CD1-CE2 4.09Å; I127-F175 HydrophobicContact CG2-CE2 4.05Å; I127-F175 HydrophobicContact CG2-CZ 4.41Å
128F98.4Very high96.2Very high9 Ų935.6 Ų35.64%0.03924%0.235CC..THydrogen-bonded Turntrans-91.9-37179.9-59.1-89.9000111.5V87 E125 P126 G139 P141 F175 R178 L179V87-F128 HydrophobicContact CB-CE2 4.47Å; V87-F128 HydrophobicContact CG1-CD2 4.36Å; V87-F128 HydrophobicContact CG1-CE2 3.6Å; V87-F128 HydrophobicContact CG1-CZ 3.84Å; V87-F128 HydrophobicContact CG2-CE2 3.95Å; V87-F128 HydrophobicContact CG2-CZ 4.47Å; E125-F128 CarbonylContact O-C 3.56Å; E125-F128 WeakPolarHBondContact O-CA 3.14Å; E125-F128 WeakPolarHBondContact O-CB 3.16Å; E125-F128 PolarHBondContact O-N 3.27Å; P126-F128 VanDerWaalsContact C-N 3.29Å; F128-G139 WeakPolarHBondContact O-CA 3.27Å; F128-P141 HydrophobicContact CD1-CG 3.59Å; F128-P141 HydrophobicContact CE1-CG 3.89Å; F128-F175 HydrophobicContact CE2-CD2 4.2Å; F128-F175 HydrophobicContact CE2-CE2 4.24Å; F128-F175 HydrophobicContact CZ-CD2 4.03Å; F128-F175 HydrophobicContact CZ-CE2 4.06Å; F128-R178 HydrophobicContact CD1-CG 3.78Å; F128-R178 HydrophobicContact CE1-CB 4.02Å; F128-R178 HydrophobicContact CE1-CG 3.41Å; F128-R178 VanDerWaalsContact CE1-CG 3.41Å; F128-R178 HydrophobicContact CE2-CG 4.37Å; F128-R178 HydrophobicContact CG-CG 4.42Å; F128-R178 HydrophobicContact CZ-CB 4.05Å; F128-R178 HydrophobicContact CZ-CG 3.75Å; F128-L179 HydrophobicContact CE1-CB 4.43Å
129Q97.5Very high96.3Very high70 Ų7035 Ų3533%0.32723%0.232SC..  trans-12979-179.5-59.1-171.240.600112E125 P126 G131 L132E125-Q129 HydrophobicContact CG-CB 4.31Å; E125-Q129 HydrophobicContact CG-CG 4.35Å; E125-Q129 PolarHBondContact O-N 3.35Å; E125-Q129 WeakPolarHBondContact OE1-CG 3.16Å; E125-Q129 PolarHBondContact OE1-NE2 2.9Å; P126-Q129 WeakPolarHBondContact CA-O 3.34Å; Q129-G131 PolarHBondContact O-N 3.2Å; Q129-L132 HydrophobicContact CB-CD1 4.21Å; Q129-L132 HydrophobicContact CB-CG 4.28Å; Q129-L132 PolarHBondContact O-N 2.62Å; Q129-L132 VanDerWaalsContact O-N 3.14Å
130P97.4Very high96.4Very high3 Ų334.2 Ų34.22%0.01923%0.228CC..G310 helixtrans-59-21.6-178-25.235.3000114.6L45 V47 P126 L132 L133 Q135L45-P130 HydrophobicContact CD1-CB 4.27Å; L45-P130 HydrophobicContact CD1-CG 3.72Å; V47-P130 HydrophobicContact CG2-CB 4.19Å; P126-P130 WeakPolarHBondContact O-CA 3.29Å; P130-L132 PolarHBondContact O-N 3.08Å; P130-L133 PolarHBondContact O-N 3.34Å; P130-Q135 CarbonylContact C-O 3.56Å; P130-Q135 HydrophobicContact CB-CB 4Å; P130-Q135 PolarHBondContact O-N 2.94Å
131G96.7Very high96.5Very high52 Ų5232.2 Ų32.254%0.53622%0.221SC..G310 helixtrans-57.9-25.417600000114.1Q129 L133 G134 Q135Q129-G131 PolarHBondContact O-N 3.2Å; G131-L133 PolarHBondContact O-N 3.27Å; G131-L133 VanDerWaalsContact O-N 3.13Å; G131-G134 PolarHBondContact O-N 2.91Å; G131-Q135 PolarHBondContact N-O 3.02Å
132L95.7Very high96.5Very high67 Ų6732.9 Ų32.935%0.35123%0.226SC..G310 helixtrans-62.1-18.9173.2-66.3176.1000113.3F91 E125 P126 Q129 P130F91-L132 HydrophobicContact CE1-CD1 4.33Å; F91-L132 HydrophobicContact CZ-CD1 4.11Å; E125-L132 HydrophobicContact CB-CD1 3.81Å; E125-L132 HydrophobicContact CG-CD1 3.52Å; P126-L132 HydrophobicContact CG-CB 4.27Å; Q129-L132 HydrophobicContact CB-CD1 4.21Å; Q129-L132 HydrophobicContact CB-CG 4.28Å; Q129-L132 PolarHBondContact O-N 2.62Å; Q129-L132 VanDerWaalsContact O-N 3.14Å; P130-L132 PolarHBondContact O-N 3.08Å
133L95.9Very high96.5Very high53 Ų5329.5 Ų29.528%0.27721%0.214SC..G310 helixtrans-105.312.8174.4-62.6175.4000112.4V47 T51 Y55 P126 P130 G131 Q135V47-L133 HydrophobicContact CG1-CD1 3.85Å; V47-L133 HydrophobicContact CG2-CD1 4.01Å; T51-L133 HydrophobicContact CG2-CD1 3.53Å; Y55-L133 HydrophobicContact CD1-CD2 4.28Å; Y55-L133 HydrophobicContact CD2-CD2 3.37Å; Y55-L133 HydrophobicContact CE2-CD2 3.87Å; Y55-L133 HydrophobicContact CG-CD2 3.61Å; P126-L133 HydrophobicContact CB-CD1 3.45Å; P126-L133 VanDerWaalsContact CB-CD1 3.45Å; P126-L133 HydrophobicContact CB-CG 3.73Å; P126-L133 HydrophobicContact CG-CD1 4Å; P126-L133 HydrophobicContact CG-CD2 4.28Å; P126-L133 HydrophobicContact CG-CG 3.88Å; P130-L133 PolarHBondContact O-N 3.34Å; G131-L133 PolarHBondContact O-N 3.27Å; G131-L133 VanDerWaalsContact O-N 3.13Å; L133-Q135 HydrophobicContact CB-CG 4.33Å; L133-Q135 PolarHBondContact O-N 3.18Å
134G93.8Very high96.5Very high73 Ų7329.5 Ų29.575%0.75321%0.214SC*.THydrogen-bonded Turntrans67.314.3-173.500000114G131G131-G134 PolarHBondContact O-N 2.91Å
135Q91.1Very high96.5Very high66 Ų6629.7 Ų29.731%0.30822%0.215SC..  trans-84.9122.6177-64.4-166.88.800110.6P130 G131 L133 G137P130-Q135 CarbonylContact C-O 3.56Å; P130-Q135 HydrophobicContact CB-CB 4Å; P130-Q135 PolarHBondContact O-N 2.94Å; G131-Q135 PolarHBondContact N-O 3.02Å; L133-Q135 HydrophobicContact CB-CG 4.33Å; L133-Q135 PolarHBondContact O-N 3.18Å; Q135-G137 PolarHBondContact O-N 2.86Å
136A88.4Confident96.4Very high110 Ų11035 Ų3591%0.90924%0.235SC*.  trans-72.4121.317100000109.8
137G91.9Very high96.4Very high49 Ų4935 Ų3551%0.50524%0.235SC..SBendtrans145.1167.6174.800000113.7Q135Q135-G137 PolarHBondContact O-N 2.86Å
138P96.9Very high96.4Very high38 Ų3835.1 Ų35.125%0.24724%0.235CC..  trans-77.3154.7178.134.9-38.5000112A142 L143P138-A142 HydrophobicContact CB-CB 3.69Å; P138-L143 HydrophobicContact CG-CD2 3.49Å; P138-L143 VanDerWaalsContact CG-CD2 3.49Å; P138-L143 HydrophobicContact CG-CG 4.04Å
139G98.1Very high96.2Very high5 Ų538.6 Ų38.65%0.05225%0.252CS..  trans-70.7174.8169.600000114I127 F128 P141 A142 L143I127-G139 CarbonylContact O-C 3.16Å; I127-G139 VanDerWaalsContact O-CA 3.29Å; I127-G139 WeakPolarHBondContact O-CA 3.47Å; F128-G139 WeakPolarHBondContact O-CA 3.27Å; G139-P141 VanDerWaalsContact C-CD 3.46Å; G139-A142 PolarHBondContact O-N 2.99Å; G139-L143 WeakPolarHBondContact O-CG 3.36Å; G139-L143 PolarHBondContact O-N 2.81Å; G139-L143 VanDerWaalsContact O-N 3.09Å
140L98.4Very high96.2Very high0 Ų041.5 Ų41.50%026%0.263CS..Hα-helixtrans-56-41.1-176.3-17361.7000114.5V20 A22 C27 L45 I127 A142 L143 A144 F175V20-L140 HydrophobicContact CG1-CD1 4.07Å; V20-L140 HydrophobicContact CG1-CD2 3.72Å; V20-L140 HydrophobicContact CG1-CG 3.84Å; A22-L140 HydrophobicContact CB-CD2 4.29Å; C27-L140 HydrophobicContact CB-CD1 4.1Å; C27-L140 HydrophobicContact CB-CD2 4.3Å; L45-L140 HydrophobicContact CD2-CB 4.11Å; I127-L140 HydrophobicContact CG2-CB 3.71Å; I127-L140 HydrophobicContact CG2-CD2 3.84Å; I127-L140 HydrophobicContact CG2-CG 4.46Å; I127-L140 PolarHBondContact O-N 3.14Å; L140-A142 PolarHBondContact O-N 3.38Å; L140-L143 PolarHBondContact O-N 2.96Å; L140-A144 WeakPolarHBondContact O-CB 3.25Å; L140-A144 PolarHBondContact O-N 3.37Å; L140-F175 HydrophobicContact CD2-CZ 4.03Å
141P98Very high96.2Very high0 Ų041.4 Ų41.40%026%0.263CS..Hα-helixtrans-61.2-42.4178.1-21.131.4000112.9F128 G139 A144 F145 L179 E182F128-P141 HydrophobicContact CD1-CG 3.59Å; F128-P141 HydrophobicContact CE1-CG 3.89Å; G139-P141 VanDerWaalsContact C-CD 3.46Å; P141-A144 WeakPolarHBondContact O-CB 3.49Å; P141-A144 PolarHBondContact O-N 2.86Å; P141-F145 PolarHBondContact O-N 3.49Å; P141-L179 HydrophobicContact CB-CD1 3.77Å; P141-L179 HydrophobicContact CG-CD1 3.61Å; P141-E182 HydrophobicContact CB-CB 3.67Å; P141-E182 HydrophobicContact CG-CB 3.89Å; P141-E182 WeakPolarHBondContact CG-OE2 3.34Å
142A97.9Very high96.1Very high14 Ų1441.4 Ų41.412%0.11625%0.253CS..Hα-helixtrans-69.8-33.3177.400000112.2P138 G139 L140 F145 R146P138-A142 HydrophobicContact CB-CB 3.69Å; G139-A142 PolarHBondContact O-N 2.99Å; L140-A142 PolarHBondContact O-N 3.38Å; A142-F145 PolarHBondContact O-N 3.03Å; A142-R146 VanDerWaalsContact O-CG 3.3Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.19Å
143L98.3Very high96Very high10 Ų1045.4 Ų45.45%0.05227%0.27CS..Hα-helixtrans-67.4-39171.1-66179.7000112.3F43 L45 P138 G139 L140 R146 A147F43-L143 HydrophobicContact CB-CB 3.94Å; F43-L143 HydrophobicContact CB-CD2 4.06Å; F43-L143 HydrophobicContact CB-CG 4.42Å; F43-L143 HydrophobicContact CD1-CD2 4.3Å; F43-L143 HydrophobicContact CG-CD2 4.45Å; L45-L143 HydrophobicContact CB-CD1 3.69Å; P138-L143 HydrophobicContact CG-CD2 3.49Å; P138-L143 VanDerWaalsContact CG-CD2 3.49Å; P138-L143 HydrophobicContact CG-CG 4.04Å; G139-L143 WeakPolarHBondContact O-CG 3.36Å; G139-L143 PolarHBondContact O-N 2.81Å; G139-L143 VanDerWaalsContact O-N 3.09Å; L140-L143 PolarHBondContact O-N 2.96Å; L143-R146 PolarHBondContact O-N 2.83Å; L143-A147 PolarHBondContact O-N 2.97Å
144A98.3Very high95.9Very high0 Ų048.8 Ų48.80%029%0.293CS..Hα-helixtrans-62.2-42.6173.600000111.8L18 V20 A29 L140 P141 A147 L148 L183L18-A144 HydrophobicContact CD2-CB 3.97Å; V20-A144 HydrophobicContact CG2-CB 3.92Å; A29-A144 HydrophobicContact CB-CB 3.99Å; L140-A144 WeakPolarHBondContact O-CB 3.25Å; L140-A144 PolarHBondContact O-N 3.37Å; P141-A144 WeakPolarHBondContact O-CB 3.49Å; P141-A144 PolarHBondContact O-N 2.86Å; A144-A147 WeakPolarHBondContact O-CB 3.48Å; A144-A147 PolarHBondContact O-N 2.87Å; A144-L148 PolarHBondContact O-N 3.02Å; A144-L183 HydrophobicContact CB-CD1 4.06Å
145F98.1Very high95.9Very high4 Ų446.2 Ų46.22%0.01826%0.262CS..Hα-helixtrans-61.3-45.9172175.3-104.4000112.3P141 A142 A147 L148 Q149 L183 Q186 H190 Y192P141-F145 PolarHBondContact O-N 3.49Å; A142-F145 PolarHBondContact O-N 3.03Å; F145-A147 VanDerWaalsContact C-N 3.26Å; F145-A147 PolarHBondContact O-N 3.31Å; F145-L148 WeakPolarHBondContact O-CB 3.5Å; F145-L148 PolarHBondContact O-N 3.08Å; F145-L148 VanDerWaalsContact O-N 3.1Å; F145-Q149 HydrophobicContact CE1-CB 4.45Å; F145-Q149 HydrophobicContact CZ-CB 4.49Å; F145-Q149 PolarHBondContact O-N 2.87Å; F145-L183 HydrophobicContact CB-CD1 3.89Å; F145-Q186 HydrophobicContact CB-CB 3.83Å; F145-Q186 HydrophobicContact CB-CG 4.35Å; F145-Q186 HydrophobicContact CD1-CB 4.26Å; F145-Q186 HydrophobicContact CD2-CB 4.11Å; F145-Q186 HydrophobicContact CG-CB 3.78Å; F145-H190 AromaticContact CD1-CD2 3.99Å; F145-H190 HydrophobicContact CE1-CB 3.76Å; F145-H190 AromaticContact CE1-CD2 3.42Å; F145-H190 VanDerWaalsContact CE1-CD2 3.42Å; F145-H190 WeakPolarHBondContact CE1-CD2 3.41Å; F145-H190 AromaticContact CE1-CG 3.59Å; F145-H190 HydrophobicContact CE2-CB 4.35Å; F145-H190 HydrophobicContact CZ-CB 3.41Å; F145-H190 VanDerWaalsContact CZ-CB 3.41Å; F145-H190 AromaticContact CZ-CD2 3.93Å; F145-H190 AromaticContact CZ-CG 3.81Å; F145-Y192 AromaticContact CE2-CD2 3.87Å; F145-Y192 HydrophobicContact CE2-CD2 3.87Å; F145-Y192 HydrophobicContact CE2-CE2 4.39Å; F145-Y192 HydrophobicContact CE2-CG 4.3Å; F145-Y192 AromaticContact CZ-CD2 3.68Å; F145-Y192 HydrophobicContact CZ-CD2 3.68Å; F145-Y192 AromaticContact CZ-CE2 3.87Å; F145-Y192 HydrophobicContact CZ-CE2 3.87Å
146R97.9Very high96.1Very high113 Ų11345.1 Ų45.143%0.42626%0.255SS..Hα-helixtrans-59.8-36.6176.8-75175.5-178.2-169.60.8112.4F43 A142 L143 Q149 K150F43-R146 HydrophobicContact CD1-CB 4.48Å; F43-R146 HydrophobicContact CD2-CB 4.1Å; F43-R146 HydrophobicContact CE1-CB 4.23Å; F43-R146 VanDerWaalsContact CE2-C 3.42Å; F43-R146 HydrophobicContact CE2-CB 3.83Å; F43-R146 WeakPolarHBondContact CE2-O 3.33Å; F43-R146 HydrophobicContact CG-CB 4.42Å; F43-R146 HydrophobicContact CZ-CB 3.89Å; A142-R146 VanDerWaalsContact O-CG 3.3Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.19Å; L143-R146 PolarHBondContact O-N 2.83Å; R146-Q149 PolarHBondContact O-N 3.15Å; R146-K150 WeakPolarHBondContact O-CB 3.32Å; R146-K150 PolarHBondContact O-N 3.23Å
147A97.9Very high96.4Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-58.8-49173.400000111.1L18 A29 P31 A41 F43 L143 A144 F145 K150 M151L18-A147 HydrophobicContact CD1-CB 3.72Å; A29-A147 HydrophobicContact CB-CB 4.15Å; P31-A147 HydrophobicContact CG-CB 4.32Å; A41-A147 WeakPolarHBondContact O-CA 3.47Å; A41-A147 WeakPolarHBondContact O-CB 3.45Å; F43-A147 HydrophobicContact CD2-CB 3.86Å; F43-A147 HydrophobicContact CE2-CB 4.36Å; L143-A147 PolarHBondContact O-N 2.97Å; A144-A147 WeakPolarHBondContact O-CB 3.48Å; A144-A147 PolarHBondContact O-N 2.87Å; F145-A147 VanDerWaalsContact C-N 3.26Å; F145-A147 PolarHBondContact O-N 3.31Å; A147-K150 PolarHBondContact O-N 2.87Å; A147-M151 WeakPolarHBondContact O-CG 3.42Å
148L97.1Very high96.5Very high1 Ų148 Ų481%0.00524%0.236CC..Hα-helixtrans-62.9-43.1175.8-66.6168.9000111.9L18 A144 F145 K150 M151 R156 L159 A160 L195L18-L148 HydrophobicContact CB-CD2 4.28Å; L18-L148 HydrophobicContact CD2-CD1 4.09Å; L18-L148 HydrophobicContact CD2-CD2 4.18Å; L18-L148 HydrophobicContact CD2-CG 3.92Å; A144-L148 PolarHBondContact O-N 3.02Å; F145-L148 WeakPolarHBondContact O-CB 3.5Å; F145-L148 PolarHBondContact O-N 3.08Å; F145-L148 VanDerWaalsContact O-N 3.1Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 2.72Å; L148-M151 WeakPolarHBondContact O-CB 3.43Å; L148-M151 PolarHBondContact O-N 2.95Å; L148-M151 VanDerWaalsContact O-N 3.17Å; L148-R156 WeakPolarHBondContact O-CG 3.27Å; L148-L159 HydrophobicContact CD2-CB 3.84Å; L148-A160 HydrophobicContact CD1-CB 4.34Å; L148-A160 HydrophobicContact CD2-CB 4.38Å; L148-L195 HydrophobicContact CD1-CD2 4.32Å
149Q96Very high96.5Very high83 Ų8346.1 Ų46.139%0.38822%0.224SC..Hα-helixtrans-62.2-37.6-179-171.8-177.51.800112.4F145 R146 M151 R156F145-Q149 HydrophobicContact CE1-CB 4.45Å; F145-Q149 HydrophobicContact CZ-CB 4.49Å; F145-Q149 PolarHBondContact O-N 2.87Å; R146-Q149 PolarHBondContact O-N 3.15Å; Q149-M151 PolarHBondContact O-N 3.48Å; Q149-R156 PolarHBondContact O-NE 3Å; Q149-R156 PolarHBondContact O-NH2 3.43Å; Q149-R156 VanDerWaalsContact O-NH2 3.16Å
150K96.8Very high96.4Very high131 Ų13145.9 Ų45.957%0.5722%0.221SC*.Hα-helixtrans-69.5-19-179.8-16763.4173.1-179.70112.9A41 F43 R146 A147 L148A41-K150 HydrophobicContact CB-CB 3.75Å; A41-K150 HydrophobicContact CB-CG 3.74Å; F43-K150 HydrophobicContact CE2-CB 4.37Å; R146-K150 WeakPolarHBondContact O-CB 3.32Å; R146-K150 PolarHBondContact O-N 3.23Å; A147-K150 PolarHBondContact O-N 2.87Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 2.72Å
151M96.3Very high96.3Very high1 Ų149.8 Ų49.81%0.00524%0.242CC..SBendtrans-75.1151.4176.6-63.9-60.7-59.700111.8P31 W38 A41 A147 L148 Q149 L155 R156 L159P31-M151 HydrophobicContact CB-CG 3.96Å; P31-M151 HydrophobicContact CB-SD 3.81Å; P31-M151 HydrophobicContact CG-CG 4.05Å; P31-M151 HydrophobicContact CG-SD 3.72Å; W38-M151 HydrophobicContact CB-CE 4.37Å; W38-M151 HydrophobicContact CB-SD 3.8Å; W38-M151 HydrophobicContact CD2-CE 3.26Å; W38-M151 HydrophobicContact CD2-SD 3.6Å; W38-M151 VanDerWaalsContact CD2-SD 3.6Å; W38-M151 HydrophobicContact CE3-CE 3.69Å; W38-M151 HydrophobicContact CE3-SD 3.72Å; W38-M151 HydrophobicContact CG-CE 3.57Å; W38-M151 HydrophobicContact CG-SD 3.64Å; W38-M151 HydrophobicContact CH2-CE 4.19Å; W38-M151 HydrophobicContact CZ2-CE 3.82Å; W38-M151 HydrophobicContact CZ3-CE 4.14Å; W38-M151 HydrophobicContact CZ3-SD 4.49Å; A41-M151 HydrophobicContact CB-CG 4.49Å; A41-M151 HydrophobicContact CB-SD 3.84Å; A147-M151 WeakPolarHBondContact O-CG 3.42Å; L148-M151 WeakPolarHBondContact O-CB 3.43Å; L148-M151 PolarHBondContact O-N 2.95Å; L148-M151 VanDerWaalsContact O-N 3.17Å; Q149-M151 PolarHBondContact O-N 3.48Å; M151-L155 HydrophobicContact CE-CD1 4Å; M151-R156 HydrophobicContact CB-CG 4.34Å; M151-R156 PolarHBondContact O-NE 3.31Å; M151-R156 PolarHBondContact O-NH2 3.3Å; M151-L159 HydrophobicContact CB-CD1 4.13Å; M151-L159 HydrophobicContact CE-CD1 3.7Å; M151-L159 HydrophobicContact CG-CD1 3.61Å; M151-L159 HydrophobicContact SD-CD1 4.24Å
152P95.4Very high96.2Very high51 Ų5151.4 Ų51.433%0.33125%0.252SS..  trans-54.9141.7171.2-23.733.4000111.6W38 T154 L155 R156W38-P152 HydrophobicContact CH2-CG 4.08Å; W38-P152 HydrophobicContact CZ3-CG 4.35Å; P152-T154 PolarHBondContact O-N 2.86Å; P152-L155 HydrophobicContact CB-CG 4.47Å; P152-L155 HydrophobicContact CG-CD1 4.31Å; P152-L155 PolarHBondContact O-N 3.35Å; P152-R156 WeakPolarHBondContact O-CG 3.18Å; P152-R156 PolarHBondContact O-N 3.32Å
153E92.8Very high96.2Very high151 Ų15150.8 Ų50.871%0.70625%0.247SC*.Hα-helixtrans-52.8-41.5-175.7-173.5174.3172.200113.1L155 R156E153-L155 PolarHBondContact O-N 2.96Å; E153-L155 VanDerWaalsContact O-N 3.1Å; E153-R156 PolarHBondContact O-N 3.46Å
154T94.1Very high96.2Very high124 Ų12450.3 Ų50.376%0.76124%0.244SC*.Hα-helixtrans-59.8-21.3178.155.50000114.1P152P152-T154 PolarHBondContact O-N 2.86Å
155L95.1Very high96.2Very high20 Ų2050.4 Ų50.411%0.10525%0.245CC..Hα-helixtrans-102.5-20.4-178.6-57.6-173.6000113.1Y33 W38 M151 P152 E153 T157 R158 L159Y33-L155 HydrophobicContact CD1-CD1 4.1Å; Y33-L155 HydrophobicContact CD2-CD1 4.25Å; Y33-L155 HydrophobicContact CD2-CD2 4.06Å; Y33-L155 HydrophobicContact CE1-CD1 4.29Å; Y33-L155 HydrophobicContact CE1-CD2 4.21Å; Y33-L155 HydrophobicContact CE2-CD1 4.45Å; Y33-L155 HydrophobicContact CE2-CD2 3.54Å; Y33-L155 HydrophobicContact CG-CD1 4.07Å; W38-L155 HydrophobicContact CZ2-CD1 4.13Å; M151-L155 HydrophobicContact CE-CD1 4Å; P152-L155 HydrophobicContact CB-CG 4.47Å; P152-L155 HydrophobicContact CG-CD1 4.31Å; P152-L155 PolarHBondContact O-N 3.35Å; E153-L155 PolarHBondContact O-N 2.96Å; E153-L155 VanDerWaalsContact O-N 3.1Å; L155-T157 PolarHBondContact O-N 3.29Å; L155-R158 PolarHBondContact O-N 3.44Å; L155-L159 HydrophobicContact CB-CD1 4.47Å; L155-L159 WeakPolarHBondContact O-CG 3.22Å; L155-L159 PolarHBondContact O-N 3.16Å
156R95.1Very high96.2Very high43 Ų4350.2 Ų50.216%0.16224%0.244CC..Hα-helixtrans-57.7-48.8-170.6-64.3-174.9-171.3135.6-3.4112.5L148 Q149 M151 P152 E153 L159 A160 L195L148-R156 WeakPolarHBondContact O-CG 3.27Å; Q149-R156 PolarHBondContact O-NE 3Å; Q149-R156 PolarHBondContact O-NH2 3.43Å; Q149-R156 VanDerWaalsContact O-NH2 3.16Å; M151-R156 HydrophobicContact CB-CG 4.34Å; M151-R156 PolarHBondContact O-NE 3.31Å; M151-R156 PolarHBondContact O-NH2 3.3Å; P152-R156 WeakPolarHBondContact O-CG 3.18Å; P152-R156 PolarHBondContact O-N 3.32Å; E153-R156 PolarHBondContact O-N 3.46Å; R156-L159 PolarHBondContact O-N 2.76Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 3.42Å; R156-L195 HydrophobicContact CB-CD1 4.34Å
157T94.4Very high96.2Very high77 Ų7745.4 Ų45.447%0.47223%0.229SC..Hα-helixtrans-59-50.9179.9-50.10000110.9L155 L159 A160 D161L155-T157 PolarHBondContact O-N 3.29Å; T157-L159 VanDerWaalsContact C-N 3.26Å; T157-L159 PolarHBondContact O-N 2.88Å; T157-A160 PolarHBondContact O-N 2.9Å; T157-D161 PolarHBondContact O-N 2.99Å
158R94.3Very high96.1Very high141 Ų14147.6 Ų47.653%0.53225%0.252SS..Hα-helixtrans-57.4-38.2178.2-179-179.5-71.9-166.5-0.1112.8L155L155-R158 PolarHBondContact O-N 3.44Å
159L96.4Very high96.1Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-75.3-35.1178.4-63.7179.7000112.4G17 L18 P31 I32 L148 M151 L155 R156 T157 T162G17-L159 VanDerWaalsContact N-CD2 3.3Å; L18-L159 PolarHBondContact N-O 2.79Å; P31-L159 HydrophobicContact CB-CD1 3.97Å; I32-L159 WeakPolarHBondContact O-CD2 3.39Å; L148-L159 HydrophobicContact CD2-CB 3.84Å; M151-L159 HydrophobicContact CB-CD1 4.13Å; M151-L159 HydrophobicContact CE-CD1 3.7Å; M151-L159 HydrophobicContact CG-CD1 3.61Å; M151-L159 HydrophobicContact SD-CD1 4.24Å; L155-L159 HydrophobicContact CB-CD1 4.47Å; L155-L159 WeakPolarHBondContact O-CG 3.22Å; L155-L159 PolarHBondContact O-N 3.16Å; R156-L159 PolarHBondContact O-N 2.76Å; T157-L159 VanDerWaalsContact C-N 3.26Å; T157-L159 PolarHBondContact O-N 2.88Å; L159-T162 CarbonylContact O-C 3.46Å; L159-T162 PolarHBondContact O-N 2.94Å
160A95.9Very high96.2Very high0 Ų043.9 Ų43.90%024%0.235CC..Hα-helixtrans-70.1-31.7176.200000112.2L148 R156 T157 T162 L195 P197 H198L148-A160 HydrophobicContact CD1-CB 4.34Å; L148-A160 HydrophobicContact CD2-CB 4.38Å; R156-A160 WeakPolarHBondContact O-CB 3.4Å; R156-A160 PolarHBondContact O-N 3.42Å; T157-A160 PolarHBondContact O-N 2.9Å; A160-T162 PolarHBondContact O-N 2.91Å; A160-L195 HydrophobicContact CB-CD1 3.42Å; A160-L195 VanDerWaalsContact CB-CD1 3.42Å; A160-L195 HydrophobicContact CB-CD2 4.17Å; A160-L195 HydrophobicContact CB-CG 3.7Å; A160-P197 CarbonylContact O-C 3.58Å; A160-P197 VanDerWaalsContact O-CA 3.28Å; A160-P197 WeakPolarHBondContact O-CA 3.33Å; A160-H198 PolarHBondContact O-N 2.85Å
161D95.6Very high96.3Very high81 Ų8141.5 Ų41.543%0.43323%0.228SC..THydrogen-bonded Turntrans-62.4-13.5175.5-63.6-25.1000112.9T157 H198T157-D161 PolarHBondContact O-N 2.99Å; D161-H198 WeakPolarHBondContact O-CB 3.38Å; D161-H198 PolarHBondContact O-ND1 3.09Å
162T97Very high96.4Very high35 Ų3541.9 Ų41.922%0.21523%0.23CC..  trans-141.584.4178.5-57.80000110.9L9 A14 G17 L18 L159 A160 V164 V200L9-T162 HydrophobicContact CD2-CG2 4.06Å; A14-T162 HydrophobicContact CB-CG2 3.98Å; G17-T162 CarbonylContact C-O 3.57Å; G17-T162 WeakPolarHBondContact CA-O 3.48Å; L18-T162 PolarHBondContact N-O 3.45Å; L159-T162 CarbonylContact O-C 3.46Å; L159-T162 PolarHBondContact O-N 2.94Å; A160-T162 PolarHBondContact O-N 2.91Å; T162-V164 HydrophobicContact CG2-CG2 3.94Å; T162-V200 HydrophobicContact CG2-CG2 4.48Å
163V98.1Very high96.5Very high0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-97.3100.7172.2-176.10000109.8L18 V20 L183 P197 H198 L199 V200L18-V163 HydrophobicContact CB-CG1 4.47Å; L18-V163 HydrophobicContact CB-CG2 4.25Å; L18-V163 HydrophobicContact CD2-CG1 4.17Å; L18-V163 HydrophobicContact CD2-CG2 4.34Å; L18-V163 CarbonylContact O-C 3.51Å; L18-V163 VanDerWaalsContact O-CA 3.29Å; L18-V163 WeakPolarHBondContact O-CA 3.12Å; V20-V163 HydrophobicContact CG2-CG1 3.75Å; V163-L183 HydrophobicContact CG1-CD2 4.47Å; V163-L183 HydrophobicContact CG2-CD2 4.36Å; V163-P197 HydrophobicContact CG2-CB 4.08Å; V163-H198 PolarHBondContact N-O 2.81Å; V163-L199 HydrophobicContact CB-CD1 3.93Å; V163-L199 HydrophobicContact CB-CG 4.25Å; V163-L199 HydrophobicContact CG1-CD1 3.95Å; V163-L199 HydrophobicContact CG1-CG 4.18Å; V163-L199 HydrophobicContact CG2-CD1 4.4Å; V163-L199 CarbonylContact O-C 3.54Å; V163-L199 WeakPolarHBondContact O-CA 3.43Å; V163-V200 PolarHBondContact O-N 3.39Å
164V98.1Very high96.7Very high1 Ų137.1 Ų37.11%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-87.5127-177.5178.60000110.9L9 T12 L18 V20 T162 V200L9-V164 HydrophobicContact CD2-CB 4.49Å; L9-V164 HydrophobicContact CD2-CG2 3.69Å; L9-V164 HydrophobicContact CG-CB 4.31Å; L9-V164 HydrophobicContact CG-CG2 3.96Å; T12-V164 HydrophobicContact CG2-CB 4.46Å; T12-V164 HydrophobicContact CG2-CG1 3.73Å; T12-V164 HydrophobicContact CG2-CG2 3.84Å; L18-V164 PolarHBondContact O-N 3.07Å; V20-V164 PolarHBondContact N-O 3.43Å; T162-V164 HydrophobicContact CG2-CG2 3.94Å; V164-V200 HydrophobicContact CG2-CB 4.31Å
165L98Very high96.9Very high1 Ų131.3 Ų31.31%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-90.3134.5171-56.8-167.1000111V20 T170 F175 A176 L179 L199 V200 A201 R205V20-L165 HydrophobicContact CB-CD2 3.88Å; V20-L165 HydrophobicContact CG1-CD2 4.27Å; V20-L165 WeakPolarHBondContact O-CA 3.35Å; L165-T170 HydrophobicContact CB-CG2 4.47Å; L165-F175 HydrophobicContact CD1-CD1 4.18Å; L165-F175 HydrophobicContact CD1-CE1 4.33Å; L165-A176 HydrophobicContact CD1-CB 3.88Å; L165-L179 HydrophobicContact CD1-CD2 4.2Å; L165-L179 HydrophobicContact CD2-CD2 3.34Å; L165-L179 HydrophobicContact CG-CD2 4.42Å; L165-L199 HydrophobicContact CD1-CD2 4.02Å; L165-L199 HydrophobicContact CD2-CD2 4.12Å; L165-L199 HydrophobicContact CD2-CG 4.4Å; L165-L199 HydrophobicContact CG-CD2 4.29Å; L165-V200 PolarHBondContact N-O 3.13Å; L165-V200 VanDerWaalsContact N-O 3.16Å; L165-A201 HydrophobicContact CD1-CB 4.05Å; L165-A201 HydrophobicContact CG-CB 4.47Å; L165-R205 WeakPolarHBondContact O-CB 3.41Å
166A97.9Very high97.1Very high0 Ų031.1 Ų31.10%018%0.181CC..EExtended strand (participates in β ladder)trans-145.1159.3174.100000113.3A8 V20 E21 A22 T170 A208A8-A166 HydrophobicContact CB-CB 3.65Å; V20-A166 PolarHBondContact O-N 2.83Å; V20-A166 VanDerWaalsContact O-N 3.08Å; E21-A166 CarbonylContact C-O 3.44Å; E21-A166 VanDerWaalsContact CA-O 3.24Å; E21-A166 WeakPolarHBondContact CA-O 3.34Å; E21-A166 HydrophobicContact CG-CB 4.18Å; A22-A166 PolarHBondContact N-O 3.18Å; A166-T170 WeakPolarHBondContact O-CG2 3.15Å; A166-A208 HydrophobicContact CB-CB 3.9Å
167G96.9Very high97.2Very high12 Ų1234.3 Ų34.312%0.12420%0.198CC..SBendtrans95.7153.9175.900000113.8A22 S169 T170 R205A22-G167 CarbonylContact O-C 3.5Å; A22-G167 WeakPolarHBondContact O-CA 3.48Å; G167-S169 VanDerWaalsContact C-N 3.3Å; G167-S169 PolarHBondContact O-N 3.35Å; G167-T170 PolarHBondContact O-N 2.94Å; G167-T170 VanDerWaalsContact O-N 3.11Å; G167-T170 PolarHBondContact O-OG1 3.42Å; G167-R205 PolarHBondContact N-O 2.9Å
168G96.6Very high97.4Very high46 Ų4631.4 Ų31.447%0.47418%0.178SC..G310 helixtrans-66.2-23.4-16700000115.8A22 T170 L171A22-G168 PolarHBondContact O-N 3.05Å; G168-T170 VanDerWaalsContact C-N 3.31Å; G168-L171 WeakPolarHBondContact O-CB 3.1Å; G168-L171 PolarHBondContact O-N 3.5Å
169S97.8Very high97.6Very high6 Ų624.7 Ų24.74%0.04215%0.153CC..G310 helixtrans-80.5-14.2177.5-55.40000112.3A22 G23 G49 G167 L171 F172A22-S169 WeakPolarHBondContact O-CB 3.34Å; A22-S169 PolarHBondContact O-N 2.93Å; G23-S169 PolarHBondContact O-OG 2.72Å; G49-S169 WeakPolarHBondContact CA-OG 3.43Å; G49-S169 PolarHBondContact N-OG 3.28Å; G167-S169 VanDerWaalsContact C-N 3.3Å; G167-S169 PolarHBondContact O-N 3.35Å; S169-L171 PolarHBondContact O-N 3.4Å; S169-F172 WeakPolarHBondContact O-CD2 3.49Å
170T98.1Very high97.6Very high0 Ų027.7 Ų27.70%017%0.169CC..G310 helixtrans-76.3-2.8170.7710000113.2A22 L165 A166 G167 G168 F175 R205A22-T170 HydrophobicContact CB-CG2 3.58Å; L165-T170 HydrophobicContact CB-CG2 4.47Å; A166-T170 WeakPolarHBondContact O-CG2 3.15Å; G167-T170 PolarHBondContact O-N 2.94Å; G167-T170 VanDerWaalsContact O-N 3.11Å; G167-T170 PolarHBondContact O-OG1 3.42Å; G168-T170 VanDerWaalsContact C-N 3.31Å; T170-F175 HydrophobicContact CG2-CD1 4.31Å; T170-F175 HydrophobicContact CG2-CE1 3.71Å; T170-F175 HydrophobicContact CG2-CZ 4.02Å; T170-R205 PolarHBondContact O-NE 3.13Å; T170-R205 PolarHBondContact O-NH2 3.08Å; T170-R205 WeakPolarHBondContact OG1-CD 3.38Å; T170-R205 PolarHBondContact OG1-NE 3.22Å
171L97.9Very high97.7Very high81 Ų8133 Ų3342%0.42419%0.192SC..G310 helixtrans-86.7-3.4-179.6-62.5175.4000113.3G168 S169 R205G168-L171 WeakPolarHBondContact O-CB 3.1Å; G168-L171 PolarHBondContact O-N 3.5Å; S169-L171 PolarHBondContact O-N 3.4Å; L171-R205 HydrophobicContact CD2-CG 3.71Å
172F98Very high97.8Very high10 Ų1031 Ų314%0.04418%0.18CC..SBendtrans-59.5133.7171.4-68.3-61.2000109.7L52 K81 C85 V87 P124 S169 G174 F175L52-F172 HydrophobicContact CD1-CE2 3.75Å; L52-F172 HydrophobicContact CD1-CZ 4.17Å; K81-F172 HydrophobicContact CD-CZ 3.93Å; K81-F172 HydrophobicContact CG-CE1 3.89Å; K81-F172 HydrophobicContact CG-CZ 3.8Å; C85-F172 HydrophobicContact CB-CD1 4Å; C85-F172 HydrophobicContact CB-CE1 3.69Å; V87-F172 HydrophobicContact CG2-CB 3.85Å; P124-F172 HydrophobicContact CB-CD2 3.85Å; P124-F172 HydrophobicContact CB-CE2 3.92Å; P124-F172 HydrophobicContact CB-CG 4.3Å; P124-F172 HydrophobicContact CB-CZ 4.4Å; S169-F172 WeakPolarHBondContact O-CD2 3.49Å; F172-G174 PolarHBondContact O-N 2.97Å; F172-F175 HydrophobicContact CB-CB 4.28Å; F172-F175 WeakPolarHBondContact O-CB 3.38Å; F172-F175 PolarHBondContact O-N 3.08Å; F172-F175 VanDerWaalsContact O-N 3.16Å
173P97.9Very high97.8Very high84 Ų8429.4 Ų29.455%0.54517%0.17SC..THydrogen-bonded Turntrans-55.5139170.4-24.134.2000110.5V87 F175V87-P173 PolarHBondContact N-O 2.9Å; P173-F175 VanDerWaalsContact C-N 3.25Å; P173-F175 PolarHBondContact O-N 3.24Å
174G97.7Very high97.7Very high18 Ų1831.8 Ų31.819%0.18618%0.181CC..THydrogen-bonded Turntrans81.1-6.5-177.600000115.1F172 E177 R178F172-G174 PolarHBondContact O-N 2.97Å; G174-E177 WeakPolarHBondContact CA-OE2 3.27Å; G174-E177 PolarHBondContact N-OE2 2.79Å; G174-R178 VanDerWaalsContact O-CB 3.29Å; G174-R178 WeakPolarHBondContact O-CB 3.21Å; G174-R178 PolarHBondContact O-N 2.8Å
175F98.5Very high97.6Very high1 Ų133.5 Ų33.50%0.00420%0.195CC..Hα-helixtrans-65-45.2-176.4-175.7-81.3000112.4A22 V87 I127 F128 L140 L165 T170 F172 P173 L179A22-F175 HydrophobicContact CB-CZ 4.2Å; V87-F175 HydrophobicContact CG2-CB 4Å; V87-F175 HydrophobicContact CG2-CD2 4Å; V87-F175 HydrophobicContact CG2-CG 4.48Å; I127-F175 HydrophobicContact CD1-CE2 4.09Å; I127-F175 HydrophobicContact CG2-CE2 4.05Å; I127-F175 HydrophobicContact CG2-CZ 4.41Å; F128-F175 HydrophobicContact CE2-CD2 4.2Å; F128-F175 HydrophobicContact CE2-CE2 4.24Å; F128-F175 HydrophobicContact CZ-CD2 4.03Å; F128-F175 HydrophobicContact CZ-CE2 4.06Å; L140-F175 HydrophobicContact CD2-CZ 4.03Å; L165-F175 HydrophobicContact CD1-CD1 4.18Å; L165-F175 HydrophobicContact CD1-CE1 4.33Å; T170-F175 HydrophobicContact CG2-CD1 4.31Å; T170-F175 HydrophobicContact CG2-CE1 3.71Å; T170-F175 HydrophobicContact CG2-CZ 4.02Å; F172-F175 HydrophobicContact CB-CB 4.28Å; F172-F175 WeakPolarHBondContact O-CB 3.38Å; F172-F175 PolarHBondContact O-N 3.08Å; F172-F175 VanDerWaalsContact O-N 3.16Å; P173-F175 VanDerWaalsContact C-N 3.25Å; P173-F175 PolarHBondContact O-N 3.24Å; F175-L179 HydrophobicContact CE1-CB 4.5Å; F175-L179 HydrophobicContact CE1-CD2 3.81Å; F175-L179 WeakPolarHBondContact O-CB 3.38Å; F175-L179 PolarHBondContact O-N 3.47Å
176A98Very high97.5Very high16 Ų1634.7 Ų34.713%0.13220%0.201CC..Hα-helixtrans-67.2-43.3-17700000110.3L165 L179 D180 L199 A201L165-A176 HydrophobicContact CD1-CB 3.88Å; A176-L179 PolarHBondContact O-N 2.95Å; A176-D180 VanDerWaalsContact O-CB 3.31Å; A176-D180 WeakPolarHBondContact O-CB 3.23Å; A176-D180 PolarHBondContact O-N 3.22Å; A176-L199 WeakPolarHBondContact O-CD2 3.5Å; A176-A201 HydrophobicContact CB-CB 3.94Å
177E98Very high97.3Very high111 Ų11134.7 Ų34.752%0.51920%0.201SC..Hα-helixtrans-64.3-45.1180-58.784.9167.200111.5L89 G174 K181L89-E177 HydrophobicContact CD2-CB 3.96Å; G174-E177 WeakPolarHBondContact CA-OE2 3.27Å; G174-E177 PolarHBondContact N-OE2 2.79Å; E177-K181 WeakPolarHBondContact O-CB 3.3Å; E177-K181 PolarHBondContact O-N 2.9Å; E177-K181 VanDerWaalsContact O-N 3.08Å
178R98.3Very high97.2Very high16 Ų1641.1 Ų41.16%0.0622%0.222CC..Hα-helixtrans-65.4-43.6175.5-178.266.2179.3-81-12.2111.6V87 S88 L89 E125 F128 G174 E182V87-R178 HydrophobicContact CG1-CB 3.51Å; V87-R178 HydrophobicContact CG1-CG 3.67Å; S88-R178 WeakPolarHBondContact O-CD 3.38Å; S88-R178 PolarHBondContact O-NH1 2.62Å; L89-R178 HydrophobicContact CD2-CB 4Å; E125-R178 IonicContact OE1-CZ 3.42Å; E125-R178 IonicContact OE1-NH1 3.79Å; E125-R178 IonicContact OE1-NH2 2.88Å; E125-R178 PolarHBondContact OE1-NH2 2.96Å; E125-R178 IonicContact OE2-CZ 2.62Å; E125-R178 IonicContact OE2-NH1 3.47Å; E125-R178 PolarHBondContact OE2-NH1 3.16Å; E125-R178 VanDerWaalsContact OE2-NH1 3.15Å; E125-R178 IonicContact OE2-NH2 3.73Å; F128-R178 HydrophobicContact CD1-CG 3.78Å; F128-R178 HydrophobicContact CE1-CB 4.02Å; F128-R178 HydrophobicContact CE1-CG 3.41Å; F128-R178 VanDerWaalsContact CE1-CG 3.41Å; F128-R178 HydrophobicContact CE2-CG 4.37Å; F128-R178 HydrophobicContact CG-CG 4.42Å; F128-R178 HydrophobicContact CZ-CB 4.05Å; F128-R178 HydrophobicContact CZ-CG 3.75Å; G174-R178 VanDerWaalsContact O-CB 3.29Å; G174-R178 WeakPolarHBondContact O-CB 3.21Å; G174-R178 PolarHBondContact O-N 2.8Å; R178-E182 IonicContact CZ-OE1 3.8Å; R178-E182 IonicContact NE-OE1 3.89Å; R178-E182 PolarHBondContact NE-OE1 2.94Å; R178-E182 IonicContact NH2-OE1 3.77Å; R178-E182 PolarHBondContact NH2-OE1 3.22Å; R178-E182 WeakPolarHBondContact O-CB 3.42Å; R178-E182 PolarHBondContact O-N 2.88Å
179L98.3Very high97.1Very high0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-65-41.9179.8178.862000111.6V20 F128 P141 L165 F175 A176 E182 L183 L199V20-L179 HydrophobicContact CG1-CD2 3.98Å; F128-L179 HydrophobicContact CE1-CB 4.43Å; P141-L179 HydrophobicContact CB-CD1 3.77Å; P141-L179 HydrophobicContact CG-CD1 3.61Å; L165-L179 HydrophobicContact CD1-CD2 4.2Å; L165-L179 HydrophobicContact CD2-CD2 3.34Å; L165-L179 HydrophobicContact CG-CD2 4.42Å; F175-L179 HydrophobicContact CE1-CB 4.5Å; F175-L179 HydrophobicContact CE1-CD2 3.81Å; F175-L179 WeakPolarHBondContact O-CB 3.38Å; F175-L179 PolarHBondContact O-N 3.47Å; A176-L179 PolarHBondContact O-N 2.95Å; L179-E182 PolarHBondContact O-N 3.04Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 PolarHBondContact O-N 3.18Å; L179-L199 HydrophobicContact CB-CD2 4.11Å; L179-L199 HydrophobicContact CD2-CD2 3.98Å; L179-L199 HydrophobicContact CG-CD2 3.95Å
180D97.4Very high96.9Very high62 Ų6251.1 Ų51.133%0.33225%0.248SC..Hα-helixtrans-59.4-53.7175.7-167.153.2000110.9A176 E182 L183 E184 L199A176-D180 VanDerWaalsContact O-CB 3.31Å; A176-D180 WeakPolarHBondContact O-CB 3.23Å; A176-D180 PolarHBondContact O-N 3.22Å; D180-E182 PolarHBondContact O-N 3.24Å; D180-L183 PolarHBondContact O-N 3.19Å; D180-E184 WeakPolarHBondContact O-CB 3.45Å; D180-E184 PolarHBondContact O-N 3.42Å; D180-L199 HydrophobicContact CB-CD1 4.43Å; D180-L199 HydrophobicContact CB-CD2 4.03Å
181K97.1Very high96.6Very high112 Ų11254.4 Ų54.449%0.48728%0.282SS..Hα-helixtrans-54.7-47.9177.3178.9-177.6175-174.70112.3L89 E177 A185L89-K181 PolarHBondContact O-NZ 3.47Å; E177-K181 WeakPolarHBondContact O-CB 3.3Å; E177-K181 PolarHBondContact O-N 2.9Å; E177-K181 VanDerWaalsContact O-N 3.08Å; K181-A185 WeakPolarHBondContact O-CB 3.35Å; K181-A185 PolarHBondContact O-N 2.98Å
182E97.9Very high96.1Very high40 Ų4053.3 Ų53.319%0.18727%0.273CS..Hα-helixtrans-71.4-40.6-179.1-79.1-161.1-148.300112.8P141 R178 L179 D180 E184 A185 Q186P141-E182 HydrophobicContact CB-CB 3.67Å; P141-E182 HydrophobicContact CG-CB 3.89Å; P141-E182 WeakPolarHBondContact CG-OE2 3.34Å; R178-E182 IonicContact CZ-OE1 3.8Å; R178-E182 IonicContact NE-OE1 3.89Å; R178-E182 PolarHBondContact NE-OE1 2.94Å; R178-E182 IonicContact NH2-OE1 3.77Å; R178-E182 PolarHBondContact NH2-OE1 3.22Å; R178-E182 WeakPolarHBondContact O-CB 3.42Å; R178-E182 PolarHBondContact O-N 2.88Å; L179-E182 PolarHBondContact O-N 3.04Å; D180-E182 PolarHBondContact O-N 3.24Å; E182-E184 VanDerWaalsContact C-N 3.34Å; E182-A185 PolarHBondContact O-N 2.7Å; E182-Q186 VanDerWaalsContact O-CG 3.3Å; E182-Q186 WeakPolarHBondContact O-CG 3.43Å; E182-Q186 PolarHBondContact O-N 3.35Å
183L97Very high95.5Very high1 Ų156.1 Ų56.11%0.00530%0.297CS..Hα-helixtrans-64.9-41.4179.3-174.860.7000110.9A144 F145 V163 L179 D180 Q186 C187 P197 L199A144-L183 HydrophobicContact CB-CD1 4.06Å; F145-L183 HydrophobicContact CB-CD1 3.89Å; V163-L183 HydrophobicContact CG1-CD2 4.47Å; V163-L183 HydrophobicContact CG2-CD2 4.36Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 PolarHBondContact O-N 3.18Å; D180-L183 PolarHBondContact O-N 3.19Å; L183-Q186 PolarHBondContact O-N 3.45Å; L183-C187 PolarHBondContact O-N 3.42Å; L183-C187 PolarHBondContact O-SG 2.81Å; L183-P197 HydrophobicContact CD2-CB 3.61Å; L183-P197 HydrophobicContact CD2-CG 3.95Å; L183-P197 HydrophobicContact CG-CB 4.09Å; L183-P197 HydrophobicContact CG-CG 3.88Å; L183-L199 HydrophobicContact CD2-CD1 4.07Å
184E95.9Very high94.9Very high50 Ų5056.7 Ų56.723%0.23431%0.309CS..Hα-helixtrans-62.4-43173-166.1-174.8-16300111.4D180 E182 Q186 C187 R188D180-E184 WeakPolarHBondContact O-CB 3.45Å; D180-E184 PolarHBondContact O-N 3.42Å; E182-E184 VanDerWaalsContact C-N 3.34Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-Q186 PolarHBondContact O-N 3.39Å; E184-C187 WeakPolarHBondContact O-CB 3.3Å; E184-C187 PolarHBondContact O-N 2.81Å; E184-R188 VanDerWaalsContact CD-CZ 3.44Å; E184-R188 WeakPolarHBondContact O-CG 3.48Å; E184-R188 PolarHBondContact O-N 2.65Å; E184-R188 IonicContact OE1-CZ 3.15Å; E184-R188 IonicContact OE1-NE 2.95Å; E184-R188 IonicContact OE1-NH2 3.81Å; E184-R188 PolarHBondContact OE1-NH2 2.74Å; E184-R188 IonicContact OE2-CZ 3.68Å; E184-R188 IonicContact OE2-NH1 3.44Å; E184-R188 IonicContact OE2-NH2 2.62Å; E184-R188 PolarHBondContact OE2-NH2 3.24Å
185A95.8Very high94.5Very high36 Ų3656.4 Ų56.430%0.29830%0.304SS..Hα-helixtrans-62-38.2175.800000112.6K181 E182 R189K181-A185 WeakPolarHBondContact O-CB 3.35Å; K181-A185 PolarHBondContact O-N 2.98Å; E182-A185 PolarHBondContact O-N 2.7Å; A185-R189 VanDerWaalsContact O-CB 3.27Å; A185-R189 WeakPolarHBondContact O-CB 3.1Å; A185-R189 PolarHBondContact O-N 3.1Å
186Q96.1Very high94.2Very high26 Ų2665 Ų6512%0.12134%0.336CS..Hα-helixtrans-63.4-44.4173.3-66-65.9-10.300111.1F145 E182 L183 E184 R188 R189 H190F145-Q186 HydrophobicContact CB-CB 3.83Å; F145-Q186 HydrophobicContact CB-CG 4.35Å; F145-Q186 HydrophobicContact CD1-CB 4.26Å; F145-Q186 HydrophobicContact CD2-CB 4.11Å; F145-Q186 HydrophobicContact CG-CB 3.78Å; E182-Q186 VanDerWaalsContact O-CG 3.3Å; E182-Q186 WeakPolarHBondContact O-CG 3.43Å; E182-Q186 PolarHBondContact O-N 3.35Å; L183-Q186 PolarHBondContact O-N 3.45Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-Q186 PolarHBondContact O-N 3.39Å; Q186-R188 PolarHBondContact O-N 3.28Å; Q186-R189 VanDerWaalsContact CD-NH1 3.33Å; Q186-R189 VanDerWaalsContact NE2-NH1 3.17Å; Q186-R189 PolarHBondContact O-N 3.21Å; Q186-R189 VanDerWaalsContact OE1-NH1 3.1Å; Q186-H190 PolarHBondContact O-CD2 3.25Å; Q186-H190 VanDerWaalsContact O-CD2 3.28Å; Q186-H190 PolarHBondContact O-N 3.48Å; Q186-H190 VanDerWaalsContact O-N 3.12Å
187C94.8Very high94Very high1 Ų164.9 Ų64.91%0.00733%0.334CS..Hα-helixtrans-58.1-49177.3-640000111.1L183 E184 H190 G191 Y192L183-C187 PolarHBondContact O-N 3.42Å; L183-C187 PolarHBondContact O-SG 2.81Å; E184-C187 WeakPolarHBondContact O-CB 3.3Å; E184-C187 PolarHBondContact O-N 2.81Å; C187-H190 PolarHBondContact O-N 2.73Å; C187-G191 PolarHBondContact O-N 3.15Å; C187-Y192 CarbonylContact O-C 3.58Å; C187-Y192 WeakPolarHBondContact O-CA 3.44Å; C187-Y192 WeakPolarHBondContact O-CB 3.34Å; C187-Y192 PolarHBondContact O-N 2.88Å
188R94.4Very high93.9Very high147 Ų14764.9 Ų64.956%0.55533%0.334SS*.Hα-helixtrans-61.8-47.6177.5-66.8-179.9-169.1146-1.8112.4E184 Q186 H190 G191E184-R188 VanDerWaalsContact CD-CZ 3.44Å; E184-R188 WeakPolarHBondContact O-CG 3.48Å; E184-R188 PolarHBondContact O-N 2.65Å; E184-R188 IonicContact OE1-CZ 3.15Å; E184-R188 IonicContact OE1-NE 2.95Å; E184-R188 IonicContact OE1-NH2 3.81Å; E184-R188 PolarHBondContact OE1-NH2 2.74Å; E184-R188 IonicContact OE2-CZ 3.68Å; E184-R188 IonicContact OE2-NH1 3.44Å; E184-R188 IonicContact OE2-NH2 2.62Å; E184-R188 PolarHBondContact OE2-NH2 3.24Å; Q186-R188 PolarHBondContact O-N 3.28Å; R188-H190 PolarHBondContact O-N 3.12Å; R188-G191 PolarHBondContact O-N 2.81Å
189R94.4Very high93.8Very high166 Ų16665.4 Ų65.463%0.62634%0.338SS*.Hα-helixtrans-58-34.5-178.3-176.1-177.3-63.3136-1.6112.7A185 Q186A185-R189 VanDerWaalsContact O-CB 3.27Å; A185-R189 WeakPolarHBondContact O-CB 3.1Å; A185-R189 PolarHBondContact O-N 3.1Å; Q186-R189 VanDerWaalsContact CD-NH1 3.33Å; Q186-R189 VanDerWaalsContact NE2-NH1 3.17Å; Q186-R189 PolarHBondContact O-N 3.21Å; Q186-R189 VanDerWaalsContact OE1-NH1 3.1Å
190H93.3Very high93.8Very high95 Ų9566.9 Ų66.944%0.4435%0.346SS..THydrogen-bonded Turntrans-98.814.2-176.5-71.5-74000114F145 Q186 C187 R188 Y192F145-H190 AromaticContact CD1-CD2 3.99Å; F145-H190 HydrophobicContact CE1-CB 3.76Å; F145-H190 AromaticContact CE1-CD2 3.42Å; F145-H190 VanDerWaalsContact CE1-CD2 3.42Å; F145-H190 WeakPolarHBondContact CE1-CD2 3.41Å; F145-H190 AromaticContact CE1-CG 3.59Å; F145-H190 HydrophobicContact CE2-CB 4.35Å; F145-H190 HydrophobicContact CZ-CB 3.41Å; F145-H190 VanDerWaalsContact CZ-CB 3.41Å; F145-H190 AromaticContact CZ-CD2 3.93Å; F145-H190 AromaticContact CZ-CG 3.81Å; Q186-H190 PolarHBondContact O-CD2 3.25Å; Q186-H190 VanDerWaalsContact O-CD2 3.28Å; Q186-H190 PolarHBondContact O-N 3.48Å; Q186-H190 VanDerWaalsContact O-N 3.12Å; C187-H190 PolarHBondContact O-N 2.73Å; R188-H190 PolarHBondContact O-N 3.12Å; H190-Y192 HydrophobicContact CB-CD2 4.01Å; H190-Y192 HydrophobicContact CB-CE2 4.28Å; H190-Y192 VanDerWaalsContact O-CD2 3.23Å; H190-Y192 WeakPolarHBondContact O-CD2 3.3Å; H190-Y192 WeakPolarHBondContact O-CE2 3.29Å
191G91.1Very high93.7Very high69 Ų6965.6 Ų65.671%0.71134%0.344SS*.THydrogen-bonded Turntrans8311.4175.200000115.3C187 R188 A193C187-G191 PolarHBondContact O-N 3.15Å; R188-G191 PolarHBondContact O-N 2.81Å; G191-A193 PolarHBondContact O-N 3.23Å
192Y89.4Confident93.5Very high59 Ų5965 Ų6523%0.23134%0.342CS..  trans-97.842.6177.3-64.8-95.3000111.6F145 C187 H190 A194 L195F145-Y192 AromaticContact CE2-CD2 3.87Å; F145-Y192 HydrophobicContact CE2-CD2 3.87Å; F145-Y192 HydrophobicContact CE2-CE2 4.39Å; F145-Y192 HydrophobicContact CE2-CG 4.3Å; F145-Y192 AromaticContact CZ-CD2 3.68Å; F145-Y192 HydrophobicContact CZ-CD2 3.68Å; F145-Y192 AromaticContact CZ-CE2 3.87Å; F145-Y192 HydrophobicContact CZ-CE2 3.87Å; C187-Y192 CarbonylContact O-C 3.58Å; C187-Y192 WeakPolarHBondContact O-CA 3.44Å; C187-Y192 WeakPolarHBondContact O-CB 3.34Å; C187-Y192 PolarHBondContact O-N 2.88Å; H190-Y192 HydrophobicContact CB-CD2 4.01Å; H190-Y192 HydrophobicContact CB-CE2 4.28Å; H190-Y192 VanDerWaalsContact O-CD2 3.23Å; H190-Y192 WeakPolarHBondContact O-CD2 3.3Å; H190-Y192 WeakPolarHBondContact O-CE2 3.29Å; Y192-A194 PolarHBondContact O-N 3Å; Y192-L195 VanDerWaalsContact O-CB 3.28Å; Y192-L195 WeakPolarHBondContact O-CB 3.09Å; Y192-L195 PolarHBondContact O-N 3.08Å
193A83.5Confident93.1Very high68 Ų6872 Ų7256%0.56237%0.374SS*.THydrogen-bonded Turntrans-63-24.3-175.700000114G191 L195G191-A193 PolarHBondContact O-N 3.23Å; A193-L195 VanDerWaalsContact C-N 3.32Å
194A85.8Confident92.8Very high97 Ų9774 Ų7480%0.80240%0.395SS*.THydrogen-bonded Turntrans-74.8-22.1173.500000112.9Y192 R196Y192-A194 PolarHBondContact O-N 3Å; A194-R196 PolarHBondContact O-N 2.8Å
195L90.4Very high92.8Very high12 Ų1273.4 Ų73.46%0.06339%0.391CS..  trans-78115.4176.8-165.570000108.5L148 R156 A160 Y192 A193 P197L148-L195 HydrophobicContact CD1-CD2 4.32Å; R156-L195 HydrophobicContact CB-CD1 4.34Å; A160-L195 HydrophobicContact CB-CD1 3.42Å; A160-L195 VanDerWaalsContact CB-CD1 3.42Å; A160-L195 HydrophobicContact CB-CD2 4.17Å; A160-L195 HydrophobicContact CB-CG 3.7Å; Y192-L195 VanDerWaalsContact O-CB 3.28Å; Y192-L195 WeakPolarHBondContact O-CB 3.09Å; Y192-L195 PolarHBondContact O-N 3.08Å; A193-L195 VanDerWaalsContact C-N 3.32Å; L195-P197 WeakPolarHBondContact O-CD 3.4Å
196R90.6Very high92.8Very high181 Ų18173.2 Ų73.268%0.68339%0.393SS*.  trans-114.592.9176.4-67.4-170.6-179.3-138.83109.4A194 H198A194-R196 PolarHBondContact O-N 2.8Å; R196-H198 PolarHBondContact O-N 2.98Å
197P94.4Very high92.8Very high13 Ų1378 Ų788%0.08442%0.416CS..  trans-57.3130.5175.5-22.533.5000110.7A160 V163 L183 L195A160-P197 CarbonylContact O-C 3.58Å; A160-P197 VanDerWaalsContact O-CA 3.28Å; A160-P197 WeakPolarHBondContact O-CA 3.33Å; V163-P197 HydrophobicContact CG2-CB 4.08Å; L183-P197 HydrophobicContact CD2-CB 3.61Å; L183-P197 HydrophobicContact CD2-CG 3.95Å; L183-P197 HydrophobicContact CG-CB 4.09Å; L183-P197 HydrophobicContact CG-CG 3.88Å; L195-P197 WeakPolarHBondContact O-CD 3.4Å
198H96.2Very high92.8Very high112 Ų11278.1 Ų78.152%0.51942%0.418SS..  trans-110108.6176171.6-99000109.3A160 D161 V163 R196A160-H198 PolarHBondContact O-N 2.85Å; D161-H198 WeakPolarHBondContact O-CB 3.38Å; D161-H198 PolarHBondContact O-ND1 3.09Å; V163-H198 PolarHBondContact N-O 2.81Å; R196-H198 PolarHBondContact O-N 2.98Å
199L96.8Very high92.9Very high27 Ų2773 Ų7314%0.14140%0.403CS..EExtended strand (participates in β ladder)trans-79.3126.6-179-98.372.7000112.3V163 L165 A176 L179 D180 L183V163-L199 HydrophobicContact CB-CD1 3.93Å; V163-L199 HydrophobicContact CB-CG 4.25Å; V163-L199 HydrophobicContact CG1-CD1 3.95Å; V163-L199 HydrophobicContact CG1-CG 4.18Å; V163-L199 HydrophobicContact CG2-CD1 4.4Å; V163-L199 CarbonylContact O-C 3.54Å; V163-L199 WeakPolarHBondContact O-CA 3.43Å; L165-L199 HydrophobicContact CD1-CD2 4.02Å; L165-L199 HydrophobicContact CD2-CD2 4.12Å; L165-L199 HydrophobicContact CD2-CG 4.4Å; L165-L199 HydrophobicContact CG-CD2 4.29Å; A176-L199 WeakPolarHBondContact O-CD2 3.5Å; L179-L199 HydrophobicContact CB-CD2 4.11Å; L179-L199 HydrophobicContact CD2-CD2 3.98Å; L179-L199 HydrophobicContact CG-CD2 3.95Å; D180-L199 HydrophobicContact CB-CD1 4.43Å; D180-L199 HydrophobicContact CB-CD2 4.03Å; L183-L199 HydrophobicContact CD2-CD1 4.07Å
200V96.6Very high93Very high31 Ų3174 Ų7419%0.18841%0.407CS..EExtended strand (participates in β ladder)trans-106.192.6175.5-175.10000109.2T12 T162 V163 V164 L165 K202T12-V200 HydrophobicContact CG2-CG1 3.82Å; T162-V200 HydrophobicContact CG2-CG2 4.48Å; V163-V200 PolarHBondContact O-N 3.39Å; V164-V200 HydrophobicContact CG2-CB 4.31Å; L165-V200 PolarHBondContact N-O 3.13Å; L165-V200 VanDerWaalsContact N-O 3.16Å; V200-K202 HydrophobicContact CG1-CG 4.35Å
201A95.4Very high93.1Very high35 Ų3572 Ų7229%0.28940%0.401SS..  trans-103.473.3-179.600000112.1L165 A176L165-A201 HydrophobicContact CD1-CB 4.05Å; L165-A201 HydrophobicContact CG-CB 4.47Å; A176-A201 HydrophobicContact CB-CB 3.94Å
202K93.6Very high93.2Very high99 Ų9968.7 Ų68.743%0.4337%0.367SS..  trans-59.7151.6177.1-72-165175.4-173.90112S11 T12 V200 G204 R205S11-K202 PolarHBondContact O-NZ 3.33Å; T12-K202 HydrophobicContact CG2-CD 4.07Å; T12-K202 HydrophobicContact CG2-CG 4.37Å; V200-K202 HydrophobicContact CG1-CG 4.35Å; K202-G204 VanDerWaalsContact C-N 3.34Å; K202-G204 PolarHBondContact O-N 3.33Å; K202-R205 VanDerWaalsContact O-CB 3.23Å; K202-R205 WeakPolarHBondContact O-CB 3.29Å; K202-R205 WeakPolarHBondContact O-CD 3.22Å; K202-R205 WeakPolarHBondContact O-CG 3.39Å; K202-R205 PolarHBondContact O-N 2.92Å; K202-R205 PolarHBondContact O-NH1 2.71Å; K202-R205 VanDerWaalsContact O-NH1 3.12Å
203H89.6Confident93.4Very high186 Ų18667 Ų6786%0.86137%0.368SS*.G310 helixtrans-61.6-41.2178.9-73.260.8000111.9R205H203-R205 PolarHBondContact O-N 3.32Å
204G91.7Very high93.9Very high44 Ų4466.4 Ų66.445%0.45436%0.36SS..G310 helixtrans-78.113177.800000115.7K202 G206 M207 A208K202-G204 VanDerWaalsContact C-N 3.34Å; K202-G204 PolarHBondContact O-N 3.33Å; G204-G206 PolarHBondContact O-N 3.44Å; G204-M207 PolarHBondContact O-N 3.39Å; G204-A208 PolarHBondContact O-N 2.83Å
205R95.4Very high94.2Very high37 Ų3765.9 Ų65.914%0.1434%0.342CS..G310 helixtrans-60.6-19.6-171.565.7-176.4177.8-85.43.5115.6L165 G167 T170 L171 K202 H203 M207 A208L165-R205 WeakPolarHBondContact O-CB 3.41Å; G167-R205 PolarHBondContact N-O 2.9Å; T170-R205 PolarHBondContact O-NE 3.13Å; T170-R205 PolarHBondContact O-NH2 3.08Å; T170-R205 WeakPolarHBondContact OG1-CD 3.38Å; T170-R205 PolarHBondContact OG1-NE 3.22Å; L171-R205 HydrophobicContact CD2-CG 3.71Å; K202-R205 VanDerWaalsContact O-CB 3.23Å; K202-R205 WeakPolarHBondContact O-CB 3.29Å; K202-R205 WeakPolarHBondContact O-CD 3.22Å; K202-R205 WeakPolarHBondContact O-CG 3.39Å; K202-R205 PolarHBondContact O-N 2.92Å; K202-R205 PolarHBondContact O-NH1 2.71Å; K202-R205 VanDerWaalsContact O-NH1 3.12Å; H203-R205 PolarHBondContact O-N 3.32Å; R205-M207 PolarHBondContact O-N 3.08Å; R205-A208 PolarHBondContact O-N 3.44Å
206G94.9Very high94.1Very high33 Ų3366.4 Ų66.434%0.3435%0.345SS..G310 helixtrans-62.7-25.9170.800000113.7G204G204-G206 PolarHBondContact O-N 3.44Å
207M95.8Very high94Very high125 Ų12560.4 Ų60.462%0.61633%0.334SS*.G310 helixtrans-116.910178.7-61.5-176.1-6600112.5G204 R205 V209 W210 T211G204-M207 PolarHBondContact O-N 3.39Å; R205-M207 PolarHBondContact O-N 3.08Å; M207-V209 VanDerWaalsContact C-N 3.29Å; M207-V209 PolarHBondContact O-N 3.34Å; M207-W210 WeakPolarHBondContact O-CA 3.48Å; M207-W210 WeakPolarHBondContact O-CB 3.18Å; M207-W210 PolarHBondContact O-N 3.13Å; M207-T211 PolarHBondContact O-N 3.1Å; M207-T211 PolarHBondContact O-OG1 3.28Å
208A96.1Very high93.8Very high5 Ų564.5 Ų64.54%0.04136%0.363CS..Hα-helixtrans-50.3-45.8-175.300000113.2S11 A166 G204 R205 W210 T211 G212S11-A208 WeakPolarHBondContact CB-O 3.28Å; S11-A208 WeakPolarHBondContact OG-CB 3.36Å; A166-A208 HydrophobicContact CB-CB 3.9Å; G204-A208 PolarHBondContact O-N 2.83Å; R205-A208 PolarHBondContact O-N 3.44Å; A208-W210 VanDerWaalsContact C-N 3.31Å; A208-W210 PolarHBondContact O-N 3.12Å; A208-T211 PolarHBondContact O-N 3.17Å; A208-G212 PolarHBondContact O-N 2.51Å
209V95.9Very high93.2Very high40 Ų4062.9 Ų62.924%0.24236%0.358CS..Hα-helixtrans-59.5-42.3178179.50000111.6T4 L7 A8 E21 M207 G213T4-V209 HydrophobicContact CG2-CG1 4.13Å; L7-V209 HydrophobicContact CB-CG1 4.08Å; L7-V209 HydrophobicContact CD1-CG1 4.11Å; A8-V209 HydrophobicContact CB-CG2 4.26Å; E21-V209 VanDerWaalsContact OE1-CG2 3.25Å; E21-V209 WeakPolarHBondContact OE1-CG2 3.39Å; M207-V209 VanDerWaalsContact C-N 3.29Å; M207-V209 PolarHBondContact O-N 3.34Å; V209-G213 PolarHBondContact O-N 3.29Å
210W95.6Very high92.5Very high186 Ų18667.7 Ų67.771%0.70538%0.38SS*.Hα-helixtrans-68.2-45.8177.5-177.990000111.2M207 A208 G212 G213 S214M207-W210 WeakPolarHBondContact O-CA 3.48Å; M207-W210 WeakPolarHBondContact O-CB 3.18Å; M207-W210 PolarHBondContact O-N 3.13Å; A208-W210 VanDerWaalsContact C-N 3.31Å; A208-W210 PolarHBondContact O-N 3.12Å; W210-G212 VanDerWaalsContact C-N 3.33Å; W210-G212 PolarHBondContact O-N 3.41Å; W210-G213 PolarHBondContact O-N 3.24Å; W210-S214 PolarHBondContact O-N 3.37Å
211T95.4Very high91.7Very high53 Ų5369.9 Ų69.933%0.32540%0.396SS..Hα-helixtrans-57.7-46.9176.1-570000111.1M207 A208 S214 M215M207-T211 PolarHBondContact O-N 3.1Å; M207-T211 PolarHBondContact O-OG1 3.28Å; A208-T211 PolarHBondContact O-N 3.17Å; T211-S214 PolarHBondContact O-N 2.95Å; T211-M215 HydrophobicContact CG2-SD 4.14Å; T211-M215 VanDerWaalsContact O-CG 3.28Å; T211-M215 WeakPolarHBondContact O-CG 3.41Å; T211-M215 PolarHBondContact O-N 2.73Å
212G94.4Very high90.8Very high0 Ų071.5 Ų71.50%040%0.397CS..Hα-helixtrans-65.5-38.2177.200000113.1L7 A208 W210 M215 V216L7-G212 WeakPolarHBondContact O-CA 3.42Å; A208-G212 PolarHBondContact O-N 2.51Å; W210-G212 VanDerWaalsContact C-N 3.33Å; W210-G212 PolarHBondContact O-N 3.41Å; G212-M215 PolarHBondContact O-N 3.2Å; G212-V216 WeakPolarHBondContact O-CB 3.39Å; G212-V216 VanDerWaalsContact O-CG2 3.27Å; G212-V216 WeakPolarHBondContact O-CG2 3.39Å; G212-V216 PolarHBondContact O-N 2.97Å
213G93.4Very high89.9Confident23 Ų2371.1 Ų71.124%0.23740%0.397CS..Hα-helixtrans-60-45.5171.800000112.4V209 W210 V216 A217V209-G213 PolarHBondContact O-N 3.29Å; W210-G213 PolarHBondContact O-N 3.24Å; G213-V216 PolarHBondContact O-N 2.78Å; G213-A217 VanDerWaalsContact O-CB 3.23Å; G213-A217 WeakPolarHBondContact O-CB 3.4Å; G213-A217 PolarHBondContact O-N 3.14Å
214S93.8Very high89.2Confident56 Ų5672.2 Ų72.239%0.39239%0.393SS..Hα-helixtrans-61.4-45175.11790000111.5W210 T211 A217 S218W210-S214 PolarHBondContact O-N 3.37Å; T211-S214 PolarHBondContact O-N 2.95Å; S214-A217 PolarHBondContact O-N 2.95Å; S214-S218 PolarHBondContact O-N 3.18Å; S214-S218 VanDerWaalsContact O-N 3.17Å; S214-S218 PolarHBondContact O-OG 3.16Å; S214-S218 VanDerWaalsContact O-OG 3.08Å
215M91.4Very high88.5Confident86 Ų8678.3 Ų78.342%0.42440%0.402SS..Hα-helixtrans-61.1-48.1177.2-71.1170.866.900112C10 T211 G212 S218C10-M215 VanDerWaalsContact O-CE 3.27Å; C10-M215 WeakPolarHBondContact O-CE 3.49Å; T211-M215 HydrophobicContact CG2-SD 4.14Å; T211-M215 VanDerWaalsContact O-CG 3.28Å; T211-M215 WeakPolarHBondContact O-CG 3.41Å; T211-M215 PolarHBondContact O-N 2.73Å; G212-M215 PolarHBondContact O-N 3.2Å; M215-S218 PolarHBondContact O-N 3.04Å
216V88.4Confident88Confident22 Ų2283.8 Ų83.813%0.13342%0.423CS..Hα-helixtrans-65.6-41.2-179.4171.30000111.1L7 C10 G212 G213 S218 L219 F222L7-V216 HydrophobicContact CD2-CB 4.43Å; L7-V216 HydrophobicContact CD2-CG2 4.14Å; C10-V216 HydrophobicContact CB-CG2 3.88Å; G212-V216 WeakPolarHBondContact O-CB 3.39Å; G212-V216 VanDerWaalsContact O-CG2 3.27Å; G212-V216 WeakPolarHBondContact O-CG2 3.39Å; G212-V216 PolarHBondContact O-N 2.97Å; G213-V216 PolarHBondContact O-N 2.78Å; V216-S218 PolarHBondContact O-N 3.48Å; V216-L219 WeakPolarHBondContact O-CB 3.45Å; V216-L219 PolarHBondContact O-N 3.02Å; V216-L219 VanDerWaalsContact O-N 3.08Å; V216-F222 HydrophobicContact CG1-CB 4.42Å; V216-F222 HydrophobicContact CG1-CD2 3.42Å; V216-F222 VanDerWaalsContact CG1-CD2 3.42Å; V216-F222 HydrophobicContact CG1-CE2 3.71Å; V216-F222 HydrophobicContact CG1-CG 3.89Å; V216-F222 HydrophobicContact CG1-CZ 4.4Å; V216-F222 WeakPolarHBondContact O-CB 3.21Å
217A89.7Confident87.7Confident56 Ų5684.2 Ų84.246%0.46342%0.417SS..Hα-helixtrans-63.7-28.8178.100000113G213 S214 L219G213-A217 VanDerWaalsContact O-CB 3.23Å; G213-A217 WeakPolarHBondContact O-CB 3.4Å; G213-A217 PolarHBondContact O-N 3.14Å; S214-A217 PolarHBondContact O-N 2.95Å; A217-L219 VanDerWaalsContact C-N 3.27Å; A217-L219 PolarHBondContact O-N 2.97Å
218S89.1Confident87.4Confident98 Ų9880.7 Ų80.769%0.68540%0.403SS*.THydrogen-bonded Turntrans-76.7-8.2175.4-62.40000114S214 M215 V216S214-S218 PolarHBondContact O-N 3.18Å; S214-S218 VanDerWaalsContact O-N 3.17Å; S214-S218 PolarHBondContact O-OG 3.16Å; S214-S218 VanDerWaalsContact O-OG 3.08Å; M215-S218 PolarHBondContact O-N 3.04Å; V216-S218 PolarHBondContact O-N 3.48Å
219L84.3Confident87.2Confident78 Ų7890 Ų9041%0.40844%0.437SS..  trans-78.3130.5177.8-61.1174000111.1V216 A217 S221 F222V216-L219 WeakPolarHBondContact O-CB 3.45Å; V216-L219 PolarHBondContact O-N 3.02Å; V216-L219 VanDerWaalsContact O-N 3.08Å; A217-L219 VanDerWaalsContact C-N 3.27Å; A217-L219 PolarHBondContact O-N 2.97Å; L219-S221 PolarHBondContact O-N 3.24Å; L219-F222 HydrophobicContact CB-CB 4.25Å; L219-F222 WeakPolarHBondContact O-CB 3.39Å; L219-F222 PolarHBondContact O-N 3.3Å
220H82.4Confident87Confident129 Ų12990.5 Ų90.560%0.59745%0.445SS*.THydrogen-bonded Turntrans-59.2-33.2174.7-174.9-81.6000112.5F222 Q223H220-F222 PolarHBondContact O-N 2.92Å; H220-Q223 WeakPolarHBondContact O-CB 3.39Å; H220-Q223 PolarHBondContact O-N 3.35Å
221S79Confident86.7Confident76 Ų7685 Ų8553%0.53143%0.428SS..THydrogen-bonded Turntrans-63.9-27.1174.954.60000113.1L219 R224L219-S221 PolarHBondContact O-N 3.24Å; S221-R224 PolarHBondContact O-N 2.89Å
222F77.3Confident86.6Confident70 Ų7087.5 Ų87.531%0.30743%0.433SS..G310 helixtrans-74.7-28.1179.1-170.8-104.5000112.6V216 L219 H220 R224 R225 W226V216-F222 HydrophobicContact CG1-CB 4.42Å; V216-F222 HydrophobicContact CG1-CD2 3.42Å; V216-F222 VanDerWaalsContact CG1-CD2 3.42Å; V216-F222 HydrophobicContact CG1-CE2 3.71Å; V216-F222 HydrophobicContact CG1-CG 3.89Å; V216-F222 HydrophobicContact CG1-CZ 4.4Å; V216-F222 WeakPolarHBondContact O-CB 3.21Å; L219-F222 HydrophobicContact CB-CB 4.25Å; L219-F222 WeakPolarHBondContact O-CB 3.39Å; L219-F222 PolarHBondContact O-N 3.3Å; H220-F222 PolarHBondContact O-N 2.92Å; F222-R224 PolarHBondContact O-N 3.03Å; F222-R224 VanDerWaalsContact O-N 3.1Å; F222-R225 PolarHBondContact O-N 3Å; F222-W226 PolarHBondContact O-N 3.47Å
223Q74.4Confident86.5Confident91 Ų9193.6 Ų93.643%0.42546%0.461SS..G310 helixtrans-60-21.5173-61.9179.53.900112.4H220 R225 W226H220-Q223 WeakPolarHBondContact O-CB 3.39Å; H220-Q223 PolarHBondContact O-N 3.35Å; Q223-R225 VanDerWaalsContact C-N 3.31Å; Q223-W226 PolarHBondContact O-NE1 3.13Å
224R74.1Confident86.5Confident208 Ų208100.1 Ų100.179%0.78549%0.485SS*.G310 helixtrans-83.4-5.9174.9-61.3-174.8179.3-170.2-0.9113.8S221 F222S221-R224 PolarHBondContact O-N 2.89Å; F222-R224 PolarHBondContact O-N 3.03Å; F222-R224 VanDerWaalsContact O-N 3.1Å
225R78.6Confident86.4Confident172 Ų172100.9 Ų100.965%0.64949%0.49SS*.SBendtrans-111.3-3.2-177.4-65.5-170.6179.4-165.1-0.9113.7F222 Q223 V243F222-R225 PolarHBondContact O-N 3Å; Q223-R225 VanDerWaalsContact C-N 3.31Å; R225-V243 WeakPolarHBondContact O-CG1 3.31Å
226W85Confident86.3Confident153 Ų15398.1 Ų98.158%0.5848%0.483SS*.PPolyproline II helixtrans-71156.2175.262.47.6000111.6F222 Q223F222-W226 PolarHBondContact O-N 3.47Å; Q223-W226 PolarHBondContact O-NE1 3.13Å
227I87.5Confident86.4Confident41 Ų41100.5 Ų100.521%0.2150%0.501CS..PPolyproline II helixtrans-102.5120.1168.5-65.5175000106.9M231 L239 L240 V243 F244I227-M231 HydrophobicContact CG2-CB 4.49Å; I227-L239 HydrophobicContact CB-CD2 4.47Å; I227-L239 HydrophobicContact CD1-CD2 4.31Å; I227-L239 HydrophobicContact CD1-CG 4.05Å; I227-L239 HydrophobicContact CG1-CD2 4.24Å; I227-L239 HydrophobicContact CG1-CG 4.32Å; I227-L239 HydrophobicContact CG2-CD2 3.54Å; I227-L239 HydrophobicContact CG2-CG 4.4Å; I227-L240 HydrophobicContact CD1-CD2 3.72Å; I227-V243 HydrophobicContact CD1-CB 3.97Å; I227-V243 HydrophobicContact CD1-CG1 4.21Å; I227-V243 HydrophobicContact CD1-CG2 4.03Å; I227-V243 HydrophobicContact CG1-CB 4.23Å; I227-V243 HydrophobicContact CG1-CG1 4.09Å; I227-V243 HydrophobicContact CG1-CG2 4Å; I227-F244 HydrophobicContact CD1-CD2 4.07Å; I227-F244 HydrophobicContact CD1-CE2 3.49Å; I227-F244 VanDerWaalsContact CD1-CE2 3.49Å; I227-F244 HydrophobicContact CD1-CZ 4.33Å; I227-F244 HydrophobicContact CG1-CE2 4.15Å
228T89.7Confident86.3Confident52 Ų52106.3 Ų106.332%0.31951%0.511SS..PPolyproline II helixtrans-82160.8174.470.60000110.6A230 M231 Y232T228-A230 VanDerWaalsContact C-N 3.26Å; T228-A230 PolarHBondContact O-N 2.96Å; T228-M231 HydrophobicContact CG2-SD 4.11Å; T228-M231 PolarHBondContact O-N 3.42Å; T228-M231 VanDerWaalsContact OG1-CG 3.25Å; T228-M231 WeakPolarHBondContact OG1-CG 3.44Å; T228-M231 PolarHBondContact OG1-N 3.24Å; T228-M231 PolarHBondContact OG1-SD 3.09Å; T228-Y232 PolarHBondContact O-N 3.15Å; T228-Y232 VanDerWaalsContact O-N 3.11Å
229R91.1Very high86.1Confident199 Ų199102.5 Ų102.575%0.75148%0.483SS*.Hα-helixtrans-56.6-41.5174.8-180179.4175.3176.21.2112Y232 Q233R229-Y232 PolarHBondContact O-N 2.93Å; R229-Q233 HydrophobicContact CG-CG 4.38Å; R229-Q233 VanDerWaalsContact O-CG 3.31Å; R229-Q233 WeakPolarHBondContact O-CG 3.39Å; R229-Q233 PolarHBondContact O-N 3.13Å
230A92.8Very high86Confident51 Ų51102.4 Ų102.442%0.42148%0.482SS..Hα-helixtrans-62.1-49.1179.700000111.4T228 Y232 Q233 E234T228-A230 VanDerWaalsContact C-N 3.26Å; T228-A230 PolarHBondContact O-N 2.96Å; A230-Y232 VanDerWaalsContact C-N 3.28Å; A230-Y232 PolarHBondContact O-N 3.01Å; A230-Q233 PolarHBondContact O-N 3.28Å; A230-Q233 VanDerWaalsContact O-N 3.09Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.27Å
231M90Very high85.8Confident72 Ų72103.3 Ų103.336%0.35548%0.482SS..Hα-helixtrans-58.4-40.9177.6-64.3164.872.100112I227 T228 E234 C235 L239I227-M231 HydrophobicContact CG2-CB 4.49Å; T228-M231 HydrophobicContact CG2-SD 4.11Å; T228-M231 PolarHBondContact O-N 3.42Å; T228-M231 VanDerWaalsContact OG1-CG 3.25Å; T228-M231 WeakPolarHBondContact OG1-CG 3.44Å; T228-M231 PolarHBondContact OG1-N 3.24Å; T228-M231 PolarHBondContact OG1-SD 3.09Å; M231-E234 PolarHBondContact O-N 3.5Å; M231-C235 PolarHBondContact O-N 3.43Å; M231-L239 HydrophobicContact CB-CD2 3.56Å; M231-L239 HydrophobicContact CE-CD1 4.47Å; M231-L239 HydrophobicContact CE-CD2 4.32Å
232Y92.1Very high85.8Confident105 Ų105104.8 Ų104.841%0.41248%0.484SS..Hα-helixtrans-68.8-36.3177.3-173.1-96.2000112.7T228 R229 A230 E234 G236 L240T228-Y232 PolarHBondContact O-N 3.15Å; T228-Y232 VanDerWaalsContact O-N 3.11Å; R229-Y232 PolarHBondContact O-N 2.93Å; A230-Y232 VanDerWaalsContact C-N 3.28Å; A230-Y232 PolarHBondContact O-N 3.01Å; Y232-E234 VanDerWaalsContact C-N 3.3Å; Y232-E234 PolarHBondContact O-N 3.36Å; Y232-G236 WeakPolarHBondContact CD2-O 3.28Å; Y232-G236 WeakPolarHBondContact O-CA 3.25Å; Y232-G236 PolarHBondContact O-N 3.24Å; Y232-L240 HydrophobicContact CE2-CD1 4.06Å; Y232-L240 HydrophobicContact CE2-CD2 4.48Å; Y232-L240 HydrophobicContact CE2-CG 4.12Å
233Q93.6Very high85.6Confident128 Ų128103.8 Ų103.860%0.59848%0.483SS*.Hα-helixtrans-67.3-31.7176.5-75.3175-38.400112.4R229 A230R229-Q233 HydrophobicContact CG-CG 4.38Å; R229-Q233 VanDerWaalsContact O-CG 3.31Å; R229-Q233 WeakPolarHBondContact O-CG 3.39Å; R229-Q233 PolarHBondContact O-N 3.13Å; A230-Q233 PolarHBondContact O-N 3.28Å; A230-Q233 VanDerWaalsContact O-N 3.09Å
234E93.4Very high85.4Confident159 Ų159103.2 Ų103.274%0.74348%0.479SS*.Hα-helixtrans-80-47.9178.2-70.3173.3-176.400113A230 M231 Y232A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.27Å; M231-E234 PolarHBondContact O-N 3.5Å; Y232-E234 VanDerWaalsContact C-N 3.3Å; Y232-E234 PolarHBondContact O-N 3.36Å
235C90.2Very high84.7Confident72 Ų72101.4 Ų101.449%0.48649%0.485SS..Hα-helixtrans-100.1-8.4-172.3-59.60000114M231 L239M231-C235 PolarHBondContact O-N 3.43Å; C235-L239 HydrophobicContact CB-CB 3.92Å; C235-L239 HydrophobicContact CB-CD2 4.44Å
236G90.8Very high85Confident28 Ų2897.9 Ų97.929%0.28948%0.477SS..THydrogen-bonded Turntrans62.2-152.5-178.500000113.7Y232 R238 L239Y232-G236 WeakPolarHBondContact CD2-O 3.28Å; Y232-G236 WeakPolarHBondContact O-CA 3.25Å; Y232-G236 PolarHBondContact O-N 3.24Å; G236-R238 PolarHBondContact O-N 2.87Å; G236-L239 PolarHBondContact O-N 3.18Å
237S89.8Confident85Confident73 Ų7395 Ų9551%0.5147%0.472SS..THydrogen-bonded Turntrans-67.3-19.3-177.256.70000114.4L239 L240S237-L239 VanDerWaalsContact C-N 3.26Å; S237-L239 PolarHBondContact O-N 3.21Å; S237-L240 WeakPolarHBondContact O-CB 3.38Å; S237-L240 PolarHBondContact O-N 3.35Å
238R87.5Confident84.9Confident178 Ų17898 Ų9867%0.67249%0.486SS*.Hα-helixtrans-59.1-39.1178.8-176.9176.7173.4172.20.8112.1G236 L240 Y241 D242G236-R238 PolarHBondContact O-N 2.87Å; R238-L240 PolarHBondContact O-N 2.93Å; R238-L240 VanDerWaalsContact O-N 3.11Å; R238-Y241 WeakPolarHBondContact O-CB 3.4Å; R238-Y241 PolarHBondContact O-N 3.4Å; R238-D242 PolarHBondContact O-N 3.14Å
239L85.1Confident84.6Confident18 Ų18100.7 Ų100.79%0.09450%0.496CS..Hα-helixtrans-57.5-28.8180-174.966.4000113.2I227 M231 C235 G236 S237 Y241 D242 V243I227-L239 HydrophobicContact CB-CD2 4.47Å; I227-L239 HydrophobicContact CD1-CD2 4.31Å; I227-L239 HydrophobicContact CD1-CG 4.05Å; I227-L239 HydrophobicContact CG1-CD2 4.24Å; I227-L239 HydrophobicContact CG1-CG 4.32Å; I227-L239 HydrophobicContact CG2-CD2 3.54Å; I227-L239 HydrophobicContact CG2-CG 4.4Å; M231-L239 HydrophobicContact CB-CD2 3.56Å; M231-L239 HydrophobicContact CE-CD1 4.47Å; M231-L239 HydrophobicContact CE-CD2 4.32Å; C235-L239 HydrophobicContact CB-CB 3.92Å; C235-L239 HydrophobicContact CB-CD2 4.44Å; G236-L239 PolarHBondContact O-N 3.18Å; S237-L239 VanDerWaalsContact C-N 3.26Å; S237-L239 PolarHBondContact O-N 3.21Å; L239-Y241 VanDerWaalsContact C-N 3.27Å; L239-Y241 PolarHBondContact O-N 3.43Å; L239-D242 PolarHBondContact O-N 2.71Å; L239-V243 HydrophobicContact CD1-CG2 4Å; L239-V243 HydrophobicContact CG-CG2 4.26Å; L239-V243 WeakPolarHBondContact O-CG2 3.36Å; L239-V243 PolarHBondContact O-N 3.47Å; L239-V243 VanDerWaalsContact O-N 3.16Å
240L82Confident84.2Confident75 Ų7594.6 Ų94.639%0.39348%0.48SS..Hα-helixtrans-64.8-33.4177.3-63.5175.5000112.2I227 Y232 S237 R238 F244I227-L240 HydrophobicContact CD1-CD2 3.72Å; Y232-L240 HydrophobicContact CE2-CD1 4.06Å; Y232-L240 HydrophobicContact CE2-CD2 4.48Å; Y232-L240 HydrophobicContact CE2-CG 4.12Å; S237-L240 WeakPolarHBondContact O-CB 3.38Å; S237-L240 PolarHBondContact O-N 3.35Å; R238-L240 PolarHBondContact O-N 2.93Å; R238-L240 VanDerWaalsContact O-N 3.11Å; L240-F244 WeakPolarHBondContact O-CB 3.21Å; L240-F244 PolarHBondContact O-N 3.48Å
241Y78.9Confident83.6Confident149 Ų14997.5 Ų97.558%0.58448%0.484SS*.Hα-helixtrans-76.1-42.1177.5-60.8-77.5000110.5R238 L239 V243 F244 N245R238-Y241 WeakPolarHBondContact O-CB 3.4Å; R238-Y241 PolarHBondContact O-N 3.4Å; L239-Y241 VanDerWaalsContact C-N 3.27Å; L239-Y241 PolarHBondContact O-N 3.43Å; Y241-V243 VanDerWaalsContact C-N 3.29Å; Y241-V243 PolarHBondContact O-N 3.49Å; Y241-F244 PolarHBondContact O-N 2.9Å; Y241-N245 WeakPolarHBondContact O-CB 3.44Å; Y241-N245 PolarHBondContact O-N 3.06Å
242D77.6Confident83.1Confident107 Ų10799.3 Ų99.357%0.57249%0.493SS*.Hα-helixtrans-66.6-29.8-177.8-61.7-26.6000113.1R238 L239R238-D242 PolarHBondContact O-N 3.14Å; L239-D242 PolarHBondContact O-N 2.71Å
243V74Confident82.4Confident49 Ų4998.8 Ų98.830%0.29750%0.5SS..Hα-helixtrans-92.9-26.4-177.8176.90000112.9R225 I227 L239 Y241R225-V243 WeakPolarHBondContact O-CG1 3.31Å; I227-V243 HydrophobicContact CD1-CB 3.97Å; I227-V243 HydrophobicContact CD1-CG1 4.21Å; I227-V243 HydrophobicContact CD1-CG2 4.03Å; I227-V243 HydrophobicContact CG1-CB 4.23Å; I227-V243 HydrophobicContact CG1-CG1 4.09Å; I227-V243 HydrophobicContact CG1-CG2 4Å; L239-V243 HydrophobicContact CD1-CG2 4Å; L239-V243 HydrophobicContact CG-CG2 4.26Å; L239-V243 WeakPolarHBondContact O-CG2 3.36Å; L239-V243 PolarHBondContact O-N 3.47Å; L239-V243 VanDerWaalsContact O-N 3.16Å; Y241-V243 VanDerWaalsContact C-N 3.29Å; Y241-V243 PolarHBondContact O-N 3.49Å
244F70.7Confident81.5Confident78 Ų7896.4 Ų96.434%0.34249%0.491SS..Hα-helixtrans-130.53-169.2-57.7-67.8000117I227 L240 Y241I227-F244 HydrophobicContact CD1-CD2 4.07Å; I227-F244 HydrophobicContact CD1-CE2 3.49Å; I227-F244 VanDerWaalsContact CD1-CE2 3.49Å; I227-F244 HydrophobicContact CD1-CZ 4.33Å; I227-F244 HydrophobicContact CG1-CE2 4.15Å; L240-F244 WeakPolarHBondContact O-CB 3.21Å; L240-F244 PolarHBondContact O-N 3.48Å; Y241-F244 PolarHBondContact O-N 2.9Å
245N58.3Low80.4Confident171 Ų17190.7 Ų90.791%0.91447%0.469SS*.  trans-96.50158.3-89.2-16.4000110.3Y241Y241-N245 WeakPolarHBondContact O-CB 3.44Å; Y241-N245 PolarHBondContact O-N 3.06Å

Retrieved 245 of 245 residues in 94.2 ms (Link to these results)

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