A0A077ZKE6_TRITR Loading...

Ragulator complex protein LAMTOR2 homolog

AlphaFold DB , UniProt , Accession A0A077ZKE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M58.8Low85.2Confident208 Ų20885.7 Ų85.7100%1.02544%0.437SS*.  0122.30-64-177.894.600108.7
2L65.7Low86.2Confident46 Ų4682.8 Ų82.824%0.24143%0.429CS..  trans-70.4126.6177.3-163.776.4000109.2L7 L115 P118 L119L2-L7 HydrophobicContact CD2-CB 3.9Å; L2-L7 HydrophobicContact CD2-CD1 3.81Å; L2-L7 HydrophobicContact CD2-CG 4.32Å; L2-L115 HydrophobicContact CD2-CD2 4.03Å; L2-P118 HydrophobicContact CB-CB 4.4Å; L2-P118 HydrophobicContact CD1-CB 3.95Å; L2-P118 HydrophobicContact CD1-CG 4.48Å; L2-P118 HydrophobicContact CD2-CB 4.42Å; L2-L119 HydrophobicContact CD2-CD2 4.29Å
3K78.9Confident87Confident162 Ų16287.4 Ų87.470%0.70445%0.448SS*.  trans-76.5139.8179-69-176.5179.6177.50109.9K5 A6 L7K3-K5 VanDerWaalsContact C-N 3.27Å; K3-K5 PolarHBondContact O-N 3.06Å; K3-A6 HydrophobicContact CB-CB 4.36Å; K3-A6 WeakPolarHBondContact O-CB 3.38Å; K3-A6 PolarHBondContact O-N 3.44Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.08Å
4P81.1Confident87.7Confident108 Ų10881.3 Ų81.370%0.70142%0.417SS*.Hα-helixtrans-52.8-40.2-179.8-29.134.8000114.3L7 V8P4-L7 WeakPolarHBondContact O-CB 3.37Å; P4-L7 PolarHBondContact O-N 2.99Å; P4-V8 PolarHBondContact O-N 3.46Å
5K86Confident88.4Confident171 Ų17178.8 Ų78.874%0.74340%0.404SS*.Hα-helixtrans-61.9-44.5175.8-72.6-171.6175.7-175.10112.8K3 L7 V8 E9K3-K5 VanDerWaalsContact C-N 3.27Å; K3-K5 PolarHBondContact O-N 3.06Å; K5-L7 VanDerWaalsContact C-N 3.26Å; K5-L7 PolarHBondContact O-N 3.36Å; K5-V8 PolarHBondContact O-N 3.44Å; K5-E9 WeakPolarHBondContact O-CG 3.37Å; K5-E9 PolarHBondContact O-N 3.4Å
6A90.1Very high89Confident32 Ų3278.6 Ų78.626%0.26441%0.408SS..Hα-helixtrans-64.5-33.5178.300000111.6K3 E9 V10K3-A6 HydrophobicContact CB-CB 4.36Å; K3-A6 WeakPolarHBondContact O-CB 3.38Å; K3-A6 PolarHBondContact O-N 3.44Å; A6-E9 PolarHBondContact O-N 3.41Å; A6-V10 WeakPolarHBondContact O-CG2 3.49Å; A6-V10 PolarHBondContact O-N 3.31Å
7L92.9Very high89.4Confident19 Ų1979.5 Ų79.510%0.09942%0.422CS..Hα-helixtrans-63.4-46.1174.5178.659.6000111.7L2 K3 P4 K5 E9 V10 L11 L24 A33 L115L2-L7 HydrophobicContact CD2-CB 3.9Å; L2-L7 HydrophobicContact CD2-CD1 3.81Å; L2-L7 HydrophobicContact CD2-CG 4.32Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.08Å; P4-L7 WeakPolarHBondContact O-CB 3.37Å; P4-L7 PolarHBondContact O-N 2.99Å; K5-L7 VanDerWaalsContact C-N 3.26Å; K5-L7 PolarHBondContact O-N 3.36Å; L7-E9 VanDerWaalsContact C-N 3.33Å; L7-E9 PolarHBondContact O-N 2.76Å; L7-V10 PolarHBondContact O-N 3.16Å; L7-L11 HydrophobicContact CD1-CD1 4.5Å; L7-L11 HydrophobicContact CD1-CG 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.34Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.41Å; L7-L24 HydrophobicContact CD1-CD2 4.2Å; L7-L24 HydrophobicContact CD2-CD2 3.87Å; L7-A33 HydrophobicContact CD2-CB 3.61Å; L7-A33 HydrophobicContact CG-CB 3.93Å; L7-L115 HydrophobicContact CD1-CD1 4.01Å; L7-L115 HydrophobicContact CD1-CD2 3.7Å
8V95.1Very high89.8Confident56 Ų5676.7 Ų76.734%0.33942%0.415SS..Hα-helixtrans-63.9-39.7177.5176.60000111.3P4 K5 V10 L11 S12 A33 A35P4-V8 PolarHBondContact O-N 3.46Å; K5-V8 PolarHBondContact O-N 3.44Å; V8-V10 VanDerWaalsContact C-N 3.35Å; V8-V10 PolarHBondContact O-N 2.89Å; V8-L11 PolarHBondContact O-N 2.98Å; V8-S12 WeakPolarHBondContact O-CB 3.22Å; V8-S12 PolarHBondContact O-N 3.01Å; V8-S12 PolarHBondContact O-OG 2.89Å; V8-A33 HydrophobicContact CG2-CB 4.36Å; V8-A35 HydrophobicContact CG1-CB 4.39Å
9E95.2Very high90.3Very high123 Ų12372.9 Ų72.958%0.57540%0.395SS*.Hα-helixtrans-59.9-44.3174.9-74.2168.8-174.500111.7K5 A6 L7 S12 Q13K5-E9 WeakPolarHBondContact O-CG 3.37Å; K5-E9 PolarHBondContact O-N 3.4Å; A6-E9 PolarHBondContact O-N 3.41Å; L7-E9 VanDerWaalsContact C-N 3.33Å; L7-E9 PolarHBondContact O-N 2.76Å; E9-S12 WeakPolarHBondContact O-CB 3.45Å; E9-S12 PolarHBondContact O-N 3.43Å; E9-Q13 PolarHBondContact O-N 3.48Å
10V95.9Very high90.7Very high18 Ų1870.9 Ų70.911%0.10939%0.386CS..Hα-helixtrans-62.9-46.9176.51720000111.3A6 L7 V8 S12 Q13 I111 Y114 L115A6-V10 WeakPolarHBondContact O-CG2 3.49Å; A6-V10 PolarHBondContact O-N 3.31Å; L7-V10 PolarHBondContact O-N 3.16Å; V8-V10 VanDerWaalsContact C-N 3.35Å; V8-V10 PolarHBondContact O-N 2.89Å; V10-S12 PolarHBondContact O-N 3.23Å; V10-Q13 WeakPolarHBondContact O-CB 3.39Å; V10-Q13 PolarHBondContact O-N 3.07Å; V10-Q13 VanDerWaalsContact O-N 3.16Å; V10-I111 HydrophobicContact CG1-CD1 4.2Å; V10-I111 HydrophobicContact CG1-CG2 4.36Å; V10-Y114 HydrophobicContact CB-CE1 4.45Å; V10-Y114 HydrophobicContact CG1-CD1 3.71Å; V10-Y114 HydrophobicContact CG1-CE1 4.11Å; V10-Y114 HydrophobicContact CG2-CD1 3.96Å; V10-Y114 HydrophobicContact CG2-CE1 3.45Å; V10-Y114 VanDerWaalsContact CG2-CE1 3.45Å; V10-L115 HydrophobicContact CB-CD2 4.42Å; V10-L115 HydrophobicContact CG1-CD1 4.38Å; V10-L115 HydrophobicContact CG1-CD2 3.85Å; V10-L115 HydrophobicContact CG1-CG 4.06Å
11L97.5Very high91Very high0 Ų067.6 Ų67.60%037%0.368CS..Hα-helixtrans-60.2-36.7176.7-66.6172.8000111.4L7 V8 Q13 A14 S22 L24 A33 A35 L91 I111 L115L7-L11 HydrophobicContact CD1-CD1 4.5Å; L7-L11 HydrophobicContact CD1-CG 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.34Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.41Å; V8-L11 PolarHBondContact O-N 2.98Å; L11-Q13 VanDerWaalsContact C-N 3.26Å; L11-Q13 PolarHBondContact O-N 3.21Å; L11-A14 VanDerWaalsContact O-CB 3.32Å; L11-A14 WeakPolarHBondContact O-CB 3.44Å; L11-A14 PolarHBondContact O-N 3.16Å; L11-A14 VanDerWaalsContact O-N 3.16Å; L11-S22 WeakPolarHBondContact CD2-OG 3.38Å; L11-S22 WeakPolarHBondContact O-CB 3.5Å; L11-L24 HydrophobicContact CD1-CB 4.46Å; L11-A33 HydrophobicContact CD1-CB 3.69Å; L11-A35 HydrophobicContact CB-CB 4.19Å; L11-L91 HydrophobicContact CD2-CD1 3.58Å; L11-I111 HydrophobicContact CD2-CG2 4.36Å; L11-L115 HydrophobicContact CD2-CD1 4.28Å
12S97.6Very high92.9Very high50 Ų5057.7 Ų57.735%0.3532%0.319SS..Hα-helixtrans-64.7-27.8179.1-580000113V8 E9 V10 A14 I15 A35V8-S12 WeakPolarHBondContact O-CB 3.22Å; V8-S12 PolarHBondContact O-N 3.01Å; V8-S12 PolarHBondContact O-OG 2.89Å; E9-S12 WeakPolarHBondContact O-CB 3.45Å; E9-S12 PolarHBondContact O-N 3.43Å; V10-S12 PolarHBondContact O-N 3.23Å; S12-A14 PolarHBondContact O-N 3.32Å; S12-I15 WeakPolarHBondContact O-CB 3.37Å; S12-I15 PolarHBondContact O-N 3.16Å; S12-I15 VanDerWaalsContact O-N 3.07Å; S12-A35 WeakPolarHBondContact OG-CB 3.28Å
13Q96.7Very high94.4Very high143 Ų14355.6 Ų55.667%0.66831%0.308SS*.Hα-helixtrans-63-23.8176-63.5-63.5-3200112.9E9 V10 L11 I15 I111E9-Q13 PolarHBondContact O-N 3.48Å; V10-Q13 WeakPolarHBondContact O-CB 3.39Å; V10-Q13 PolarHBondContact O-N 3.07Å; V10-Q13 VanDerWaalsContact O-N 3.16Å; L11-Q13 VanDerWaalsContact C-N 3.26Å; L11-Q13 PolarHBondContact O-N 3.21Å; Q13-I15 VanDerWaalsContact C-N 3.28Å; Q13-I15 PolarHBondContact O-N 3.29Å; Q13-I111 HydrophobicContact CB-CD1 4.45Å
14A96.6Very high95.3Very high2 Ų248 Ų482%0.01728%0.275CS..THydrogen-bonded Turntrans-70.4-27.4176.300000112.8L11 S12 T16 V19 M93 K107 I111L11-A14 VanDerWaalsContact O-CB 3.32Å; L11-A14 WeakPolarHBondContact O-CB 3.44Å; L11-A14 PolarHBondContact O-N 3.16Å; L11-A14 VanDerWaalsContact O-N 3.16Å; S12-A14 PolarHBondContact O-N 3.32Å; A14-T16 PolarHBondContact O-N 2.73Å; A14-V19 WeakPolarHBondContact O-CB 3.5Å; A14-M93 HydrophobicContact CB-CE 3.46Å; A14-M93 VanDerWaalsContact CB-CE 3.46Å; A14-M93 HydrophobicContact CB-SD 3.93Å; A14-K107 PolarHBondContact O-NZ 2.97Å; A14-I111 HydrophobicContact CB-CG1 4.08Å
15I97.6Very high96Very high44 Ų4442.8 Ų42.823%0.22624%0.241CC..  trans-84.366.6-163.5-50.5178.8000110.3S12 Q13 V19 A35S12-I15 WeakPolarHBondContact O-CB 3.37Å; S12-I15 PolarHBondContact O-N 3.16Å; S12-I15 VanDerWaalsContact O-N 3.07Å; Q13-I15 VanDerWaalsContact C-N 3.28Å; Q13-I15 PolarHBondContact O-N 3.29Å; I15-V19 CarbonylContact C-O 3.57Å; I15-V19 WeakPolarHBondContact CA-O 3.43Å; I15-V19 VanDerWaalsContact CG2-O 3.26Å; I15-V19 WeakPolarHBondContact CG2-O 3.47Å; I15-A35 HydrophobicContact CD1-CB 3.44Å; I15-A35 VanDerWaalsContact CD1-CB 3.44Å; I15-A35 VanDerWaalsContact CD1-O 3.24Å; I15-A35 WeakPolarHBondContact CD1-O 3.45Å
16T97.6Very high96.4Very high75 Ų7536.3 Ų36.346%0.4622%0.215SC..  trans-146.4161.3176.165.20000109.3A14 G18 V19 K107A14-T16 PolarHBondContact O-N 2.73Å; T16-G18 PolarHBondContact O-N 3.41Å; T16-V19 PolarHBondContact O-N 2.9Å; T16-K107 WeakPolarHBondContact O-CE 3.44Å; T16-K107 PolarHBondContact O-NZ 3.25Å; T16-K107 VanDerWaalsContact O-NZ 3.16Å; T16-K107 PolarHBondContact OG1-NZ 3.32Å
17S96Very high96.6Very high94 Ų9438.9 Ų38.966%0.65722%0.218SC*.THydrogen-bonded Turntrans57.644.7177.1-510000113.3V19 V99S17-V19 VanDerWaalsContact C-N 3.31Å; S17-V19 PolarHBondContact O-N 3.01Å; S17-V99 WeakPolarHBondContact O-CG2 3.4Å
18G97.6Very high96.7Very high29 Ų2944.7 Ų44.730%0.29925%0.249SC..THydrogen-bonded Turntrans81.7-1.6177.900000115.3T16 A95 E96T16-G18 PolarHBondContact O-N 3.41Å; G18-A95 CarbonylContact O-C 3.59Å; G18-A95 WeakPolarHBondContact O-CA 3.42Å; G18-E96 WeakPolarHBondContact O-CG 3.37Å; G18-E96 PolarHBondContact O-N 3.3Å
19V98.3Very high96.7Very high5 Ų542.5 Ų42.53%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-74.8122.6161.7179.70000107.7A14 I15 T16 S17 M93 R94 A95 L104 K107A14-V19 WeakPolarHBondContact O-CB 3.5Å; I15-V19 CarbonylContact C-O 3.57Å; I15-V19 WeakPolarHBondContact CA-O 3.43Å; I15-V19 VanDerWaalsContact CG2-O 3.26Å; I15-V19 WeakPolarHBondContact CG2-O 3.47Å; T16-V19 PolarHBondContact O-N 2.9Å; S17-V19 VanDerWaalsContact C-N 3.31Å; S17-V19 PolarHBondContact O-N 3.01Å; V19-M93 HydrophobicContact CG1-CB 4.34Å; V19-R94 CarbonylContact C-O 3.55Å; V19-R94 WeakPolarHBondContact CA-O 3.47Å; V19-R94 WeakPolarHBondContact CG1-O 3.49Å; V19-A95 HydrophobicContact CG2-CB 4.27Å; V19-L104 HydrophobicContact CG2-CD1 3.95Å; V19-K107 HydrophobicContact CG2-CD 3.66Å
20T97.9Very high96.7Very high33 Ų3341.7 Ų41.720%0.20224%0.237CC..EExtended strand (participates in β ladder)trans-105.8-25.6-170.551.70000113.1G36 R94 E96T20-G36 CarbonylContact O-C 3.57Å; T20-G36 VanDerWaalsContact O-CA 3.29Å; T20-G36 WeakPolarHBondContact O-CA 3.32Å; T20-R94 PolarHBondContact N-O 2.93Å; T20-R94 PolarHBondContact OG1-O 3.43Å; T20-E96 HydrophobicContact CG2-CG 3.99Å; T20-E96 WeakPolarHBondContact CG2-OE1 3.45Å
21A98.4Very high96.8Very high1 Ų142 Ų421%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-148153.5174.900000112.2A35 C37 M93 R94A21-A35 VanDerWaalsContact CA-O 3.23Å; A21-A35 WeakPolarHBondContact CA-O 3.42Å; A21-A35 WeakPolarHBondContact CB-O 3.17Å; A21-C37 HydrophobicContact CB-CB 3.86Å; A21-M93 CarbonylContact O-C 3.41Å; A21-M93 VanDerWaalsContact O-CA 3.31Å; A21-M93 WeakPolarHBondContact O-CA 3.29Å; A21-R94 HydrophobicContact CB-CB 4.02Å; A21-R94 PolarHBondContact N-O 3.29Å; A21-R94 PolarHBondContact O-N 3.49Å
22S98.5Very high96.6Very high0 Ų045.7 Ų45.70%026%0.257CS..EExtended strand (participates in β ladder)trans-139.9133.7171.7-174.70000109.3L11 H34 A35 C92L11-S22 WeakPolarHBondContact CD2-OG 3.38Å; L11-S22 WeakPolarHBondContact O-CB 3.5Å; S22-H34 CarbonylContact O-C 3.53Å; S22-H34 WeakPolarHBondContact O-CA 3.37Å; S22-A35 PolarHBondContact N-O 3.4Å; S22-A35 PolarHBondContact O-N 3.23Å; S22-C92 CarbonylContact C-O 3.58Å; S22-C92 WeakPolarHBondContact CA-O 3.48Å
23L98Very high96.5Very high2 Ų243.8 Ų43.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-146.4152.8-174.660.290.1000112.7T25 L31 A33 H34 A42 I45 S46 C92L23-T25 HydrophobicContact CD1-CG2 4.49Å; L23-L31 HydrophobicContact CB-CD1 4.03Å; L23-L31 HydrophobicContact CD1-CD1 4.39Å; L23-A33 CarbonylContact C-O 3.55Å; L23-A33 VanDerWaalsContact CA-O 3.28Å; L23-A33 WeakPolarHBondContact CA-O 3.46Å; L23-A33 WeakPolarHBondContact CB-O 3.32Å; L23-H34 HydrophobicContact CB-CB 3.82Å; L23-A42 HydrophobicContact CD2-CB 4.32Å; L23-I45 HydrophobicContact CD1-CG2 4.41Å; L23-I45 HydrophobicContact CD2-CB 3.9Å; L23-I45 HydrophobicContact CD2-CD1 4.24Å; L23-I45 HydrophobicContact CD2-CG2 3.77Å; L23-S46 WeakPolarHBondContact CD1-OG 3.4Å; L23-C92 HydrophobicContact CD1-CB 3.55Å; L23-C92 HydrophobicContact CG-CB 3.88Å; L23-C92 PolarHBondContact N-O 3.49Å; L23-C92 PolarHBondContact O-N 2.92Å
24L97.1Very high96.5Very high2 Ų239.5 Ų39.51%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-118.2127.8178.2-168.775.2000108.5L7 L11 L32 A33 V86 M89 L90 L91 L119L7-L24 HydrophobicContact CD1-CD2 4.2Å; L7-L24 HydrophobicContact CD2-CD2 3.87Å; L11-L24 HydrophobicContact CD1-CB 4.46Å; L24-L32 HydrophobicContact CD2-CD1 4.31Å; L24-L32 HydrophobicContact CG-CD1 4.39Å; L24-L32 WeakPolarHBondContact O-CB 3.43Å; L24-L32 PolarHBondContact O-N 3.48Å; L24-A33 PolarHBondContact N-O 3.19Å; L24-A33 PolarHBondContact O-N 3.01Å; L24-V86 HydrophobicContact CD1-CG1 3.52Å; L24-M89 HydrophobicContact CD1-CB 4.09Å; L24-M89 HydrophobicContact CD1-SD 4.48Å; L24-M89 HydrophobicContact CD2-SD 3.7Å; L24-M89 HydrophobicContact CG-CB 4.4Å; L24-M89 HydrophobicContact CG-SD 4.13Å; L24-L90 WeakPolarHBondContact CA-O 3.44Å; L24-L91 HydrophobicContact CD1-CB 4.49Å; L24-L119 HydrophobicContact CD1-CD1 4.06Å; L24-L119 HydrophobicContact CD2-CD1 3.82Å; L24-L119 HydrophobicContact CD2-CD2 4.28Å
25T96.3Very high96.6Very high0 Ų039.8 Ų39.80%023%0.227CC..EExtended strand (participates in β ladder)trans-133.1153.1179.51790000110.3L23 G29 L30 M89 L90L23-T25 HydrophobicContact CD1-CG2 4.49Å; T25-G29 VanDerWaalsContact OG1-C 3.26Å; T25-G29 WeakPolarHBondContact OG1-CA 3.33Å; T25-L30 WeakPolarHBondContact CA-O 3.48Å; T25-L30 PolarHBondContact OG1-O 3.29Å; T25-L30 VanDerWaalsContact OG1-O 3.06Å; T25-M89 WeakPolarHBondContact O-CB 3.29Å; T25-L90 HydrophobicContact CG2-CB 3.82Å; T25-L90 PolarHBondContact N-O 3.12Å; T25-L90 PolarHBondContact O-N 2.79Å
26N94.1Very high96.6Very high35 Ų3540.5 Ų40.519%0.18725%0.245CC..  trans-77.4179.2166.681.8-7.1000111D28 G29 L30N26-D28 PolarHBondContact ND2-OD2 3.46Å; N26-D28 VanDerWaalsContact ND2-OD2 3.14Å; N26-D28 PolarHBondContact O-N 2.94Å; N26-D28 WeakPolarHBondContact OD1-CA 3.47Å; N26-D28 PolarHBondContact OD1-N 3.35Å; N26-G29 PolarHBondContact O-N 2.99Å; N26-G29 PolarHBondContact OD1-N 3.48Å; N26-G29 VanDerWaalsContact OD1-N 3.1Å; N26-L30 PolarHBondContact N-O 3.19Å; N26-L30 WeakPolarHBondContact OD1-CB 3.36Å; N26-L30 PolarHBondContact OD1-N 3.28Å
27R93.5Very high96.5Very high85 Ų8537.8 Ų37.832%0.32123%0.229SC..THydrogen-bonded Turntrans-69.8-18.7-179.7-44.5-164.791.2-169.36.7113.9G29 W53 C54 E57 T88R27-G29 VanDerWaalsContact C-N 3.3Å; R27-W53 VanDerWaalsContact NH2-NE1 3.1Å; R27-C54 PolarHBondContact O-SG 2.96Å; R27-C54 VanDerWaalsContact O-SG 3.42Å; R27-E57 IonicContact CZ-OE1 3.61Å; R27-E57 IonicContact CZ-OE2 3.06Å; R27-E57 IonicContact NH1-OE1 3.76Å; R27-E57 IonicContact NH1-OE2 2.85Å; R27-E57 PolarHBondContact NH1-OE2 2.8Å; R27-E57 IonicContact NH2-OE1 2.64Å; R27-E57 PolarHBondContact NH2-OE1 3.4Å; R27-E57 IonicContact NH2-OE2 2.56Å; R27-E57 PolarHBondContact NH2-OE2 2.88Å; R27-T88 WeakPolarHBondContact CG-O 3.45Å
28D94.8Very high96.6Very high141 Ų14137.9 Ų37.975%0.75422%0.222SC*.THydrogen-bonded Turntrans-86.9-2.2177.7-49.5-52.1000112.5N26N26-D28 PolarHBondContact ND2-OD2 3.46Å; N26-D28 VanDerWaalsContact ND2-OD2 3.14Å; N26-D28 PolarHBondContact O-N 2.94Å; N26-D28 WeakPolarHBondContact OD1-CA 3.47Å; N26-D28 PolarHBondContact OD1-N 3.35Å
29G95.5Very high96.5Very high11 Ų1142.6 Ų42.611%0.11324%0.236CC..  trans84.29.5-176.200000114.6T25 N26 R27 L31 S46 S50T25-G29 VanDerWaalsContact OG1-C 3.26Å; T25-G29 WeakPolarHBondContact OG1-CA 3.33Å; N26-G29 PolarHBondContact O-N 2.99Å; N26-G29 PolarHBondContact OD1-N 3.48Å; N26-G29 VanDerWaalsContact OD1-N 3.1Å; R27-G29 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.02Å; G29-S46 WeakPolarHBondContact O-CB 3.48Å; G29-S50 WeakPolarHBondContact CA-OG 3.35Å; G29-S50 PolarHBondContact N-OG 2.85Å
30L96.2Very high96.5Very high106 Ų10646.5 Ų46.556%0.55526%0.264SS*.  trans-71.9116.1172.1-17472.4000109.9T25 N26 L32T25-L30 WeakPolarHBondContact CA-O 3.48Å; T25-L30 PolarHBondContact OG1-O 3.29Å; T25-L30 VanDerWaalsContact OG1-O 3.06Å; N26-L30 PolarHBondContact N-O 3.19Å; N26-L30 WeakPolarHBondContact OD1-CB 3.36Å; N26-L30 PolarHBondContact OD1-N 3.28Å; L30-L32 HydrophobicContact CD2-CD2 4.45Å; L30-L32 PolarHBondContact O-N 3.45Å
31L96.3Very high96.4Very high25 Ų2547.6 Ų47.613%0.13127%0.267CS..EExtended strand (participates in β ladder)trans-66.7125.8175.4-178.769.8000111L23 G29 H34 A42 L43 S46L23-L31 HydrophobicContact CB-CD1 4.03Å; L23-L31 HydrophobicContact CD1-CD1 4.39Å; G29-L31 PolarHBondContact O-N 3.02Å; L31-H34 HydrophobicContact CD1-CB 4.18Å; L31-A42 HydrophobicContact CD1-CB 4.05Å; L31-A42 HydrophobicContact CD2-CB 3.48Å; L31-A42 VanDerWaalsContact CD2-CB 3.48Å; L31-A42 HydrophobicContact CG-CB 4.43Å; L31-L43 HydrophobicContact CB-CD2 3.78Å; L31-L43 HydrophobicContact CD2-CD2 4.26Å; L31-L43 HydrophobicContact CD2-CG 4.21Å; L31-S46 VanDerWaalsContact CD1-OG 3.29Å; L31-S46 WeakPolarHBondContact CD1-OG 3.34Å
32L94.2Very high96.4Very high77 Ų7747.6 Ų47.640%0.40327%0.266SS..EExtended strand (participates in β ladder)trans-102.4-40.1180-58.1176000112.1L24 L30 M89L24-L32 HydrophobicContact CD2-CD1 4.31Å; L24-L32 HydrophobicContact CG-CD1 4.39Å; L24-L32 WeakPolarHBondContact O-CB 3.43Å; L24-L32 PolarHBondContact O-N 3.48Å; L30-L32 HydrophobicContact CD2-CD2 4.45Å; L30-L32 PolarHBondContact O-N 3.45Å; L32-M89 HydrophobicContact CD1-CE 3.63Å; L32-M89 HydrophobicContact CD1-CG 3.99Å; L32-M89 HydrophobicContact CD1-SD 3.39Å; L32-M89 WeakPolarHBondContact CD1-SD 3.35Å
33A95.6Very high96.4Very high10 Ų1051.3 Ų51.38%0.08329%0.286CS..EExtended strand (participates in β ladder)trans-158.4150.1176.800000110.4L7 V8 L11 L23 L24L7-A33 HydrophobicContact CD2-CB 3.61Å; L7-A33 HydrophobicContact CG-CB 3.93Å; V8-A33 HydrophobicContact CG2-CB 4.36Å; L11-A33 HydrophobicContact CD1-CB 3.69Å; L23-A33 CarbonylContact C-O 3.55Å; L23-A33 VanDerWaalsContact CA-O 3.28Å; L23-A33 WeakPolarHBondContact CA-O 3.46Å; L23-A33 WeakPolarHBondContact CB-O 3.32Å; L24-A33 PolarHBondContact N-O 3.19Å; L24-A33 PolarHBondContact O-N 3.01Å
34H97.4Very high96.3Very high52 Ų5254.9 Ų54.924%0.24131%0.308CS..EExtended strand (participates in β ladder)trans-146.3159.6173.864.5108.1000111S22 L23 L31 C37 A42S22-H34 CarbonylContact O-C 3.53Å; S22-H34 WeakPolarHBondContact O-CA 3.37Å; L23-H34 HydrophobicContact CB-CB 3.82Å; L31-H34 HydrophobicContact CD1-CB 4.18Å; H34-C37 PolarHBondContact CE1-O 3.27Å; H34-C37 VanDerWaalsContact CE1-O 3.3Å; H34-C37 PolarHBondContact ND1-O 2.85Å; H34-A42 HydrophobicContact CB-CB 3.8Å
35A97.9Very high96.3Very high8 Ų855.5 Ų55.57%0.06631%0.311CS..EExtended strand (participates in β ladder)trans-144.9146.3170.100000109.2V8 L11 S12 I15 A21 S22 C37V8-A35 HydrophobicContact CG1-CB 4.39Å; L11-A35 HydrophobicContact CB-CB 4.19Å; S12-A35 WeakPolarHBondContact OG-CB 3.28Å; I15-A35 HydrophobicContact CD1-CB 3.44Å; I15-A35 VanDerWaalsContact CD1-CB 3.44Å; I15-A35 VanDerWaalsContact CD1-O 3.24Å; I15-A35 WeakPolarHBondContact CD1-O 3.45Å; A21-A35 VanDerWaalsContact CA-O 3.23Å; A21-A35 WeakPolarHBondContact CA-O 3.42Å; A21-A35 WeakPolarHBondContact CB-O 3.17Å; S22-A35 PolarHBondContact N-O 3.4Å; S22-A35 PolarHBondContact O-N 3.23Å; A35-C37 VanDerWaalsContact C-N 3.34Å; A35-C37 PolarHBondContact O-N 3.37Å
36G97.6Very high96.4Very high60 Ų6055.5 Ų55.562%0.61931%0.311SS*.SBendtrans85-10.7174.300000116.9T20T20-G36 CarbonylContact O-C 3.57Å; T20-G36 VanDerWaalsContact O-CA 3.29Å; T20-G36 WeakPolarHBondContact O-CA 3.32Å
37C96Very high96.6Very high17 Ų1756.3 Ų56.312%0.11532%0.323CS..SBendtrans-130161.9172.858.20000111.3A21 H34 A35 E41A21-C37 HydrophobicContact CB-CB 3.86Å; H34-C37 PolarHBondContact CE1-O 3.27Å; H34-C37 VanDerWaalsContact CE1-O 3.3Å; H34-C37 PolarHBondContact ND1-O 2.85Å; A35-C37 VanDerWaalsContact C-N 3.34Å; A35-C37 PolarHBondContact O-N 3.37Å; C37-E41 HydrophobicContact CB-CB 4.26Å; C37-E41 HydrophobicContact CB-CG 4.38Å; C37-E41 VanDerWaalsContact CB-OE2 3.28Å; C37-E41 WeakPolarHBondContact CB-OE2 3.28Å
38D96.8Very high96.8Very high96 Ų9656.5 Ų56.551%0.51333%0.329SS..  trans-70.4166.3171.771.950.3000111.5S40 E41 A42D38-S40 VanDerWaalsContact C-N 3.32Å; D38-S40 PolarHBondContact O-N 2.84Å; D38-S40 WeakPolarHBondContact OD1-CA 3.47Å; D38-S40 WeakPolarHBondContact OD1-CB 3.24Å; D38-S40 PolarHBondContact OD1-N 3.02Å; D38-E41 PolarHBondContact OD1-N 3.17Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 3.09Å
39Q96.1Very high96.9Very high129 Ų12949.8 Ų49.860%0.60329%0.293SS*.Hα-helixtrans-66.7-33-175.7-173.7169.10.400112.8L43Q39-L43 HydrophobicContact CG-CD1 4.1Å; Q39-L43 HydrophobicContact CG-CG 4.45Å; Q39-L43 WeakPolarHBondContact O-CB 3.27Å; Q39-L43 WeakPolarHBondContact O-CD1 3.46Å; Q39-L43 WeakPolarHBondContact O-CG 3.49Å; Q39-L43 PolarHBondContact O-N 2.92Å
40S97.7Very high97Very high86 Ų8649.6 Ų49.660%0.60129%0.29SS*.Hα-helixtrans-67-48.6-179.8-175.40000110D38 A42 L43 T44D38-S40 VanDerWaalsContact C-N 3.32Å; D38-S40 PolarHBondContact O-N 2.84Å; D38-S40 WeakPolarHBondContact OD1-CA 3.47Å; D38-S40 WeakPolarHBondContact OD1-CB 3.24Å; D38-S40 PolarHBondContact OD1-N 3.02Å; S40-A42 PolarHBondContact O-N 3.27Å; S40-L43 PolarHBondContact O-N 3.45Å; S40-T44 PolarHBondContact O-N 3.27Å; S40-T44 PolarHBondContact O-OG1 3.08Å; S40-T44 VanDerWaalsContact O-OG1 3.12Å
41E96.4Very high97.1Very high57 Ų5749.3 Ų49.327%0.26629%0.289SS..Hα-helixtrans-61.5-44.9176.8-169.6-173.4175.100111.1C37 D38 L43 T44 I45 R94C37-E41 HydrophobicContact CB-CB 4.26Å; C37-E41 HydrophobicContact CB-CG 4.38Å; C37-E41 VanDerWaalsContact CB-OE2 3.28Å; C37-E41 WeakPolarHBondContact CB-OE2 3.28Å; D38-E41 PolarHBondContact OD1-N 3.17Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.5Å; E41-T44 PolarHBondContact O-N 2.97Å; E41-I45 HydrophobicContact CG-CD1 3.98Å; E41-I45 HydrophobicContact CG-CG1 4.49Å; E41-I45 WeakPolarHBondContact O-CG1 3.37Å; E41-I45 PolarHBondContact O-N 3.37Å; E41-R94 WeakPolarHBondContact OE1-CD 3.35Å; E41-R94 IonicContact OE1-CZ 3.31Å; E41-R94 VanDerWaalsContact OE1-CZ 3.31Å; E41-R94 IonicContact OE1-NE 3.56Å; E41-R94 IonicContact OE1-NH1 2.63Å; E41-R94 PolarHBondContact OE1-NH1 2.94Å; E41-R94 IonicContact OE2-NH1 3.56Å
42A97.8Very high97.1Very high0 Ų050.4 Ų50.40%030%0.295CS..Hα-helixtrans-60.3-40.9178.400000112.8L23 L31 H34 D38 S40 S46L23-A42 HydrophobicContact CD2-CB 4.32Å; L31-A42 HydrophobicContact CD1-CB 4.05Å; L31-A42 HydrophobicContact CD2-CB 3.48Å; L31-A42 VanDerWaalsContact CD2-CB 3.48Å; L31-A42 HydrophobicContact CG-CB 4.43Å; H34-A42 HydrophobicContact CB-CB 3.8Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 3.09Å; S40-A42 PolarHBondContact O-N 3.27Å; A42-S46 WeakPolarHBondContact O-CB 3.34Å; A42-S46 PolarHBondContact O-N 3.48Å; A42-S46 PolarHBondContact O-OG 3.37Å
43L98.2Very high97.2Very high79 Ų7946.8 Ų46.841%0.41428%0.276SS..Hα-helixtrans-63.9-44.5174.5-75167.3000111.3L31 Q39 S40 E41 S46 A47L31-L43 HydrophobicContact CB-CD2 3.78Å; L31-L43 HydrophobicContact CD2-CD2 4.26Å; L31-L43 HydrophobicContact CD2-CG 4.21Å; Q39-L43 HydrophobicContact CG-CD1 4.1Å; Q39-L43 HydrophobicContact CG-CG 4.45Å; Q39-L43 WeakPolarHBondContact O-CB 3.27Å; Q39-L43 WeakPolarHBondContact O-CD1 3.46Å; Q39-L43 WeakPolarHBondContact O-CG 3.49Å; Q39-L43 PolarHBondContact O-N 2.92Å; S40-L43 PolarHBondContact O-N 3.45Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.5Å; L43-S46 PolarHBondContact O-N 3.49Å; L43-A47 PolarHBondContact O-N 3.08Å
44T97.3Very high97.2Very high77 Ų7748.4 Ų48.447%0.47229%0.286SS..Hα-helixtrans-60.6-48.6176.8-58.70000111.6S40 E41 S46 A47 I48S40-T44 PolarHBondContact O-N 3.27Å; S40-T44 PolarHBondContact O-OG1 3.08Å; S40-T44 VanDerWaalsContact O-OG1 3.12Å; E41-T44 PolarHBondContact O-N 2.97Å; T44-S46 VanDerWaalsContact C-N 3.3Å; T44-S46 PolarHBondContact O-N 3.1Å; T44-A47 PolarHBondContact O-N 3.27Å; T44-I48 HydrophobicContact CG2-CD1 3.79Å; T44-I48 WeakPolarHBondContact O-CG1 3.32Å; T44-I48 PolarHBondContact O-N 3.43Å; T44-I48 VanDerWaalsContact O-N 3.12Å
45I97.3Very high97.1Very high15 Ų1549.7 Ų49.78%0.07730%0.295CS..Hα-helixtrans-61.1-42.4177.9-65.3167.9000110.4L23 E41 I48 A49 I81 C92L23-I45 HydrophobicContact CD1-CG2 4.41Å; L23-I45 HydrophobicContact CD2-CB 3.9Å; L23-I45 HydrophobicContact CD2-CD1 4.24Å; L23-I45 HydrophobicContact CD2-CG2 3.77Å; E41-I45 HydrophobicContact CG-CD1 3.98Å; E41-I45 HydrophobicContact CG-CG1 4.49Å; E41-I45 WeakPolarHBondContact O-CG1 3.37Å; E41-I45 PolarHBondContact O-N 3.37Å; I45-I48 PolarHBondContact O-N 2.71Å; I45-A49 WeakPolarHBondContact O-CB 3.29Å; I45-A49 PolarHBondContact O-N 3.06Å; I45-I81 HydrophobicContact CG1-CD1 4.35Å; I45-I81 HydrophobicContact CG2-CD1 4.18Å; I45-I81 HydrophobicContact CG2-CG2 4.44Å; I45-C92 HydrophobicContact CG2-CB 4.41Å
46S97.9Very high96.9Very high0 Ų056.8 Ų56.80%032%0.321CS..Hα-helixtrans-61.6-47.9-179-62.10000112.1L23 G29 L31 A42 L43 T44 I48 A49 S50L23-S46 WeakPolarHBondContact CD1-OG 3.4Å; G29-S46 WeakPolarHBondContact O-CB 3.48Å; L31-S46 VanDerWaalsContact CD1-OG 3.29Å; L31-S46 WeakPolarHBondContact CD1-OG 3.34Å; A42-S46 WeakPolarHBondContact O-CB 3.34Å; A42-S46 PolarHBondContact O-N 3.48Å; A42-S46 PolarHBondContact O-OG 3.37Å; L43-S46 PolarHBondContact O-N 3.49Å; T44-S46 VanDerWaalsContact C-N 3.3Å; T44-S46 PolarHBondContact O-N 3.1Å; S46-I48 PolarHBondContact O-N 3.44Å; S46-A49 PolarHBondContact O-N 3.17Å; S46-S50 VanDerWaalsContact O-CB 3.31Å; S46-S50 WeakPolarHBondContact O-CB 3.26Å; S46-S50 PolarHBondContact O-N 2.98Å; S46-S50 PolarHBondContact O-OG 2.85Å; S46-S50 VanDerWaalsContact O-OG 3.08Å
47A97.8Very high96.7Very high52 Ų5255 Ų5543%0.4330%0.296SS..Hα-helixtrans-64-41.1179.900000112.5L43 T44 S50 N51L43-A47 PolarHBondContact O-N 3.08Å; T44-A47 PolarHBondContact O-N 3.27Å; A47-S50 PolarHBondContact O-OG 2.89Å; A47-N51 VanDerWaalsContact O-CB 3.24Å; A47-N51 WeakPolarHBondContact O-CB 3.37Å; A47-N51 PolarHBondContact O-N 3.39Å
48I97Very high96.5Very high88 Ų8860.7 Ų60.745%0.45132%0.319SS..Hα-helixtrans-69-48.7178.4-66.2169.8000110.3T44 I45 S46 S50 N51 I52T44-I48 HydrophobicContact CG2-CD1 3.79Å; T44-I48 WeakPolarHBondContact O-CG1 3.32Å; T44-I48 PolarHBondContact O-N 3.43Å; T44-I48 VanDerWaalsContact O-N 3.12Å; I45-I48 PolarHBondContact O-N 2.71Å; S46-I48 PolarHBondContact O-N 3.44Å; I48-S50 PolarHBondContact O-N 2.74Å; I48-N51 PolarHBondContact O-N 3Å; I48-I52 HydrophobicContact CG2-CD1 3.69Å; I48-I52 HydrophobicContact CG2-CG1 4.46Å; I48-I52 VanDerWaalsContact O-CG1 3.31Å; I48-I52 WeakPolarHBondContact O-CG1 3.31Å; I48-I52 PolarHBondContact O-N 3.42Å
49A97.4Very high96.2Very high1 Ų160.6 Ų60.61%0.00832%0.319CS..Hα-helixtrans-63-42.1-177.800000112.1I45 S46 W53 V83I45-A49 WeakPolarHBondContact O-CB 3.29Å; I45-A49 PolarHBondContact O-N 3.06Å; S46-A49 PolarHBondContact O-N 3.17Å; A49-W53 VanDerWaalsContact O-CB 3.29Å; A49-W53 WeakPolarHBondContact O-CB 3.23Å; A49-W53 PolarHBondContact O-N 2.82Å; A49-V83 HydrophobicContact CB-CG1 4.49Å; A49-V83 HydrophobicContact CB-CG2 3.97Å
50S97.4Very high95.8Very high7 Ų755.2 Ų55.25%0.04930%0.298CS..Hα-helixtrans-66-43.6178.167.90000111.9G29 S46 A47 I48 W53 C54G29-S50 WeakPolarHBondContact CA-OG 3.35Å; G29-S50 PolarHBondContact N-OG 2.85Å; S46-S50 VanDerWaalsContact O-CB 3.31Å; S46-S50 WeakPolarHBondContact O-CB 3.26Å; S46-S50 PolarHBondContact O-N 2.98Å; S46-S50 PolarHBondContact O-OG 2.85Å; S46-S50 VanDerWaalsContact O-OG 3.08Å; A47-S50 PolarHBondContact O-OG 2.89Å; I48-S50 PolarHBondContact O-N 2.74Å; S50-W53 PolarHBondContact O-N 2.81Å; S50-C54 WeakPolarHBondContact O-CB 3.42Å; S50-C54 PolarHBondContact O-N 3.19Å; S50-C54 PolarHBondContact O-SG 3.33Å; S50-C54 VanDerWaalsContact O-SG 3.32Å
51N97.8Very high95.2Very high100 Ų10055.5 Ų55.554%0.53529%0.29SS..Hα-helixtrans-62.4-46.3178.3-169.7-7.3000111.2A47 I48 N55A47-N51 VanDerWaalsContact O-CB 3.24Å; A47-N51 WeakPolarHBondContact O-CB 3.37Å; A47-N51 PolarHBondContact O-N 3.39Å; I48-N51 PolarHBondContact O-N 3Å; N51-N55 PolarHBondContact O-N 3.33Å; N51-N55 VanDerWaalsContact O-N 3.11Å; N51-N55 PolarHBondContact O-ND2 3Å; N51-N55 PolarHBondContact OD1-ND2 2.87Å
52I97.3Very high94.4Very high48 Ų4859 Ų5925%0.24631%0.31CS..Hα-helixtrans-61.1-49.1175.5-68171.1000110.2I48 C54 N55 Y56 F72 I74I48-I52 HydrophobicContact CG2-CD1 3.69Å; I48-I52 HydrophobicContact CG2-CG1 4.46Å; I48-I52 VanDerWaalsContact O-CG1 3.31Å; I48-I52 WeakPolarHBondContact O-CG1 3.31Å; I48-I52 PolarHBondContact O-N 3.42Å; I52-C54 PolarHBondContact O-N 2.87Å; I52-N55 PolarHBondContact O-N 2.87Å; I52-Y56 HydrophobicContact CG2-CD2 3.6Å; I52-Y56 HydrophobicContact CG2-CE2 3.76Å; I52-Y56 WeakPolarHBondContact O-CD2 3.37Å; I52-Y56 PolarHBondContact O-N 2.83Å; I52-F72 HydrophobicContact CB-CZ 4.05Å; I52-F72 HydrophobicContact CG2-CD2 4.49Å; I52-F72 HydrophobicContact CG2-CE1 4.09Å; I52-F72 HydrophobicContact CG2-CE2 3.78Å; I52-F72 HydrophobicContact CG2-CZ 3.54Å; I52-I74 HydrophobicContact CD1-CD1 3.61Å; I52-I74 HydrophobicContact CD1-CG1 4.38Å
53W96.8Very high93.7Very high0 Ų063.2 Ų63.20%034%0.339CS..Hα-helixtrans-55.6-52.4179.7-176.3-77.9000112.2R27 A49 S50 N55 Y56 E57 L69 F72 V83 R85 L90R27-W53 VanDerWaalsContact NH2-NE1 3.1Å; A49-W53 VanDerWaalsContact O-CB 3.29Å; A49-W53 WeakPolarHBondContact O-CB 3.23Å; A49-W53 PolarHBondContact O-N 2.82Å; S50-W53 PolarHBondContact O-N 2.81Å; W53-N55 VanDerWaalsContact C-N 3.31Å; W53-N55 PolarHBondContact O-N 2.8Å; W53-Y56 PolarHBondContact O-N 2.93Å; W53-E57 WeakPolarHBondContact O-CB 3.42Å; W53-E57 PolarHBondContact O-N 2.81Å; W53-L69 HydrophobicContact CD2-CD2 3.78Å; W53-L69 HydrophobicContact CE3-CD2 3.9Å; W53-L69 HydrophobicContact CE3-CG 4.41Å; W53-L69 HydrophobicContact CG-CD2 4.28Å; W53-L69 HydrophobicContact CH2-CB 4.37Å; W53-L69 HydrophobicContact CH2-CD2 4.15Å; W53-L69 HydrophobicContact CH2-CG 3.84Å; W53-L69 WeakPolarHBondContact CH2-O 3.47Å; W53-L69 HydrophobicContact CZ2-CB 4.13Å; W53-L69 HydrophobicContact CZ2-CD2 4.06Å; W53-L69 HydrophobicContact CZ2-CG 3.97Å; W53-L69 WeakPolarHBondContact CZ2-O 3.37Å; W53-L69 HydrophobicContact CZ3-CD2 4.07Å; W53-L69 HydrophobicContact CZ3-CG 4.08Å; W53-F72 HydrophobicContact CB-CE1 3.99Å; W53-F72 HydrophobicContact CD2-CE1 4.24Å; W53-F72 AromaticContact CE3-CD1 3.85Å; W53-F72 HydrophobicContact CE3-CD1 3.85Å; W53-F72 AromaticContact CE3-CE1 3.48Å; W53-F72 HydrophobicContact CE3-CE1 3.48Å; W53-F72 VanDerWaalsContact CE3-CE1 3.48Å; W53-F72 HydrophobicContact CZ3-CD1 4.18Å; W53-F72 HydrophobicContact CZ3-CE1 4.24Å; W53-V83 HydrophobicContact CE3-CB 4.49Å; W53-V83 HydrophobicContact CE3-CG1 3.75Å; W53-V83 HydrophobicContact CZ3-CG1 4.27Å; W53-R85 HydrophobicContact CH2-CB 3.79Å; W53-R85 HydrophobicContact CZ2-CB 3.62Å; W53-L90 HydrophobicContact CB-CD1 3.65Å; W53-L90 HydrophobicContact CB-CD2 4.44Å; W53-L90 HydrophobicContact CD2-CD1 4.25Å; W53-L90 HydrophobicContact CD2-CD2 3.38Å; W53-L90 HydrophobicContact CD2-CG 4.46Å; W53-L90 HydrophobicContact CE3-CD2 3.78Å; W53-L90 HydrophobicContact CG-CD1 3.73Å; W53-L90 HydrophobicContact CG-CD2 3.64Å; W53-L90 HydrophobicContact CG-CG 4.34Å; W53-L90 HydrophobicContact CZ2-CD2 4.21Å; W53-L90 HydrophobicContact CZ3-CD2 4.37Å
54C95.1Very high92.8Very high45 Ų4566 Ų6630%0.30435%0.348SS..Hα-helixtrans-63.2-37.1-176.9-70.10000112.1R27 S50 I52 K58R27-C54 PolarHBondContact O-SG 2.96Å; R27-C54 VanDerWaalsContact O-SG 3.42Å; S50-C54 WeakPolarHBondContact O-CB 3.42Å; S50-C54 PolarHBondContact O-N 3.19Å; S50-C54 PolarHBondContact O-SG 3.33Å; S50-C54 VanDerWaalsContact O-SG 3.32Å; I52-C54 PolarHBondContact O-N 2.87Å; C54-K58 VanDerWaalsContact O-CB 3.24Å; C54-K58 WeakPolarHBondContact O-CB 3.24Å; C54-K58 PolarHBondContact O-N 2.92Å
55N95Very high91.8Very high78 Ų7869.8 Ų69.842%0.41736%0.36SS..Hα-helixtrans-68-46.3174.9-76.7-53.3000112.5N51 I52 W53 N59N51-N55 PolarHBondContact O-N 3.33Å; N51-N55 VanDerWaalsContact O-N 3.11Å; N51-N55 PolarHBondContact O-ND2 3Å; N51-N55 PolarHBondContact OD1-ND2 2.87Å; I52-N55 PolarHBondContact O-N 2.87Å; W53-N55 VanDerWaalsContact C-N 3.31Å; W53-N55 PolarHBondContact O-N 2.8Å; N55-N59 WeakPolarHBondContact O-CB 3.41Å; N55-N59 PolarHBondContact O-N 3.15Å; N55-N59 PolarHBondContact O-ND2 2.68Å; N55-N59 VanDerWaalsContact O-ND2 3.08Å
56Y94.4Very high91Very high157 Ų15776.1 Ų76.162%0.61639%0.394SS*.Hα-helixtrans-66.8-37.1178.8-88.5-81.6000112.4I52 W53 G60I52-Y56 HydrophobicContact CG2-CD2 3.6Å; I52-Y56 HydrophobicContact CG2-CE2 3.76Å; I52-Y56 WeakPolarHBondContact O-CD2 3.37Å; I52-Y56 PolarHBondContact O-N 2.83Å; W53-Y56 PolarHBondContact O-N 2.93Å; Y56-G60 WeakPolarHBondContact O-CA 3.46Å; Y56-G60 PolarHBondContact O-N 2.85Å
57E92.6Very high90.4Very high23 Ų2380.7 Ų80.711%0.10742%0.418CS..Hα-helixtrans-65.3-51.2175.4-173.2-176.9-107.700110.9R27 W53 N59 G60 E61R27-E57 IonicContact CZ-OE1 3.61Å; R27-E57 IonicContact CZ-OE2 3.06Å; R27-E57 IonicContact NH1-OE1 3.76Å; R27-E57 IonicContact NH1-OE2 2.85Å; R27-E57 PolarHBondContact NH1-OE2 2.8Å; R27-E57 IonicContact NH2-OE1 2.64Å; R27-E57 PolarHBondContact NH2-OE1 3.4Å; R27-E57 IonicContact NH2-OE2 2.56Å; R27-E57 PolarHBondContact NH2-OE2 2.88Å; W53-E57 WeakPolarHBondContact O-CB 3.42Å; W53-E57 PolarHBondContact O-N 2.81Å; E57-N59 PolarHBondContact O-N 2.63Å; E57-G60 PolarHBondContact O-N 2.84Å; E57-G60 VanDerWaalsContact O-N 3.13Å; E57-E61 WeakPolarHBondContact O-CG 3.45Å; E57-E61 PolarHBondContact O-N 2.96Å
58K91.6Very high90Very high136 Ų13683.6 Ų83.659%0.59142%0.421SS*.Hα-helixtrans-58.1-50.1180-178.3-179.2177.1-176.90112C54 G60 E61C54-K58 VanDerWaalsContact O-CB 3.24Å; C54-K58 WeakPolarHBondContact O-CB 3.24Å; C54-K58 PolarHBondContact O-N 2.92Å; K58-G60 PolarHBondContact O-N 3.42Å; K58-E61 PolarHBondContact O-N 2.96Å
59N90.6Very high89.8Confident94 Ų9481.4 Ų81.450%0.50341%0.41SS..Hα-helixtrans-69.6-26.6179.8-63.8-29.2000112.1N55 E57 C63N55-N59 WeakPolarHBondContact O-CB 3.41Å; N55-N59 PolarHBondContact O-N 3.15Å; N55-N59 PolarHBondContact O-ND2 2.68Å; N55-N59 VanDerWaalsContact O-ND2 3.08Å; E57-N59 PolarHBondContact O-N 2.63Å; N59-C63 PolarHBondContact O-SG 2.85Å; N59-C63 VanDerWaalsContact O-SG 3.33Å
60G88.8Confident89.6Confident16 Ų1687.1 Ų87.117%0.16544%0.435CS..Hα-helixtrans-73-39.6176.400000112.7Y56 E57 K58 D62 C63 F64Y56-G60 WeakPolarHBondContact O-CA 3.46Å; Y56-G60 PolarHBondContact O-N 2.85Å; E57-G60 PolarHBondContact O-N 2.84Å; E57-G60 VanDerWaalsContact O-N 3.13Å; K58-G60 PolarHBondContact O-N 3.42Å; G60-D62 VanDerWaalsContact C-N 3.27Å; G60-D62 PolarHBondContact O-N 3.01Å; G60-C63 PolarHBondContact O-N 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.28Å; G60-F64 WeakPolarHBondContact O-CD2 3.43Å; G60-F64 PolarHBondContact O-N 2.97Å
61E85.1Confident89.6Confident93 Ų9391 Ų9144%0.43545%0.449SS..Hα-helixtrans-58.2-41.2175.8-76.3-179.6169.600111.4E57 K58 C63 H65E57-E61 WeakPolarHBondContact O-CG 3.45Å; E57-E61 PolarHBondContact O-N 2.96Å; K58-E61 PolarHBondContact O-N 2.96Å; E61-C63 PolarHBondContact O-N 2.88Å; E61-H65 PolarHBondContact O-N 2.87Å; E61-H65 VanDerWaalsContact O-N 3.15Å
62D79.1Confident89.6Confident129 Ų12987.6 Ų87.669%0.6943%0.429SS*.Hα-helixtrans-64-26176.4-67.7-24.6000113.1G60G60-D62 VanDerWaalsContact C-N 3.27Å; G60-D62 PolarHBondContact O-N 3.01Å
63C83.3Confident89.6Confident89 Ų8987.7 Ų87.760%0.60143%0.428SS*.Hα-helixtrans-102.6-30.2-174.6-67.10000114.1N59 G60 E61N59-C63 PolarHBondContact O-SG 2.85Å; N59-C63 VanDerWaalsContact O-SG 3.33Å; G60-C63 PolarHBondContact O-N 3.3Å; E61-C63 PolarHBondContact O-N 2.88Å
64F79.2Confident89.6Confident137 Ų13790.3 Ų90.360%0.60144%0.441SS*.Hα-helixtrans-127.66.4-166.5-58.3-73.3000113.8G60 D66 D67G60-F64 WeakPolarHBondContact O-CB 3.28Å; G60-F64 WeakPolarHBondContact O-CD2 3.43Å; G60-F64 PolarHBondContact O-N 2.97Å; F64-D66 PolarHBondContact O-N 2.99Å; F64-D67 HydrophobicContact CB-CB 4.24Å; F64-D67 PolarHBondContact O-N 2.93Å; F64-D67 VanDerWaalsContact O-N 3.12Å
65H77.3Confident89.7Confident157 Ų15792.8 Ų92.873%0.72746%0.455SS*.THydrogen-bonded Turntrans50.8-97.2-179.8-64.4-75000112.7E61E61-H65 PolarHBondContact O-N 2.87Å; E61-H65 VanDerWaalsContact O-N 3.15Å
66D78.6Confident89.7Confident148 Ų14891.2 Ų91.279%0.79146%0.457SS*.THydrogen-bonded Turntrans-92-9.2-173.6-72.4-34.1000114.5F64 K68F64-D66 PolarHBondContact O-N 2.99Å; D66-K68 PolarHBondContact O-N 3.28Å
67D85.5Confident89.7Confident97 Ų9791.9 Ų91.952%0.51947%0.465SS..  trans-8090.1176.8-161.717000111.2F64 K70F64-D67 HydrophobicContact CB-CB 4.24Å; F64-D67 PolarHBondContact O-N 2.93Å; F64-D67 VanDerWaalsContact O-N 3.12Å; D67-K70 WeakPolarHBondContact OD1-CE 3.39Å; D67-K70 IonicContact OD1-NZ 2.82Å; D67-K70 PolarHBondContact OD1-NZ 3.43Å
68K89.9Confident89.8Confident112 Ų11298.3 Ų98.349%0.48750%0.495SS..  trans-72.1144.5-177.9-59.9-175.6-179.6-172.20111.9D66 K70D66-K68 PolarHBondContact O-N 3.28Å; K68-K70 WeakPolarHBondContact O-CG 3.43Å; K68-K70 PolarHBondContact O-N 2.85Å
69L93.5Very high90.1Very high42 Ų4292.4 Ų92.422%0.2247%0.472CS..  trans-53.9126171.8-176.762.3000111.2W53 F72W53-L69 HydrophobicContact CD2-CD2 3.78Å; W53-L69 HydrophobicContact CE3-CD2 3.9Å; W53-L69 HydrophobicContact CE3-CG 4.41Å; W53-L69 HydrophobicContact CG-CD2 4.28Å; W53-L69 HydrophobicContact CH2-CB 4.37Å; W53-L69 HydrophobicContact CH2-CD2 4.15Å; W53-L69 HydrophobicContact CH2-CG 3.84Å; W53-L69 WeakPolarHBondContact CH2-O 3.47Å; W53-L69 HydrophobicContact CZ2-CB 4.13Å; W53-L69 HydrophobicContact CZ2-CD2 4.06Å; W53-L69 HydrophobicContact CZ2-CG 3.97Å; W53-L69 WeakPolarHBondContact CZ2-O 3.37Å; W53-L69 HydrophobicContact CZ3-CD2 4.07Å; W53-L69 HydrophobicContact CZ3-CG 4.08Å; L69-F72 HydrophobicContact CD2-CD1 4.13Å; L69-F72 HydrophobicContact CD2-CE1 4.44Å
70K93.6Very high90.4Very high122 Ų12289.2 Ų89.253%0.5345%0.454SS..  trans-100.5-46.9-174.9-61.5175.7-174.5141.80111.9D67 K68D67-K70 WeakPolarHBondContact OD1-CE 3.39Å; D67-K70 IonicContact OD1-NZ 2.82Å; D67-K70 PolarHBondContact OD1-NZ 3.43Å; K68-K70 WeakPolarHBondContact O-CG 3.43Å; K68-K70 PolarHBondContact O-N 2.85Å
71W96.9Very high90.9Very high89 Ų8990.1 Ų90.134%0.33746%0.455SS..EExtended strand (participates in β ladder)trans-167.2161.5179.451.6-93.4000109.8F73 V83 C84 K105 H109W71-F73 AromaticContact CE3-CD2 3.95Å; W71-F73 HydrophobicContact CE3-CD2 3.95Å; W71-F73 AromaticContact CE3-CE2 3.55Å; W71-F73 HydrophobicContact CE3-CE2 3.55Å; W71-F73 HydrophobicContact CE3-CZ 4.25Å; W71-F73 HydrophobicContact CH2-CE2 4.12Å; W71-F73 AromaticContact CZ3-CD2 3.59Å; W71-F73 HydrophobicContact CZ3-CD2 3.59Å; W71-F73 AromaticContact CZ3-CE2 3.22Å; W71-F73 HydrophobicContact CZ3-CE2 3.22Å; W71-F73 HydrophobicContact CZ3-CZ 4.26Å; W71-V83 CarbonylContact C-O 3.51Å; W71-V83 WeakPolarHBondContact CA-O 3.38Å; W71-V83 VanDerWaalsContact CB-O 3.24Å; W71-V83 WeakPolarHBondContact CB-O 3.31Å; W71-C84 HydrophobicContact CB-CB 3.82Å; W71-K105 HydrophobicContact CZ2-CD 4.19Å; W71-H109 AromaticContact CD1-NE2 3.77Å
72F97.2Very high91.5Very high28 Ų2885.7 Ų85.712%0.12343%0.434CS..EExtended strand (participates in β ladder)trans-147166.6168.464.6-99.9000111.4I52 W53 L69 I74 V83I52-F72 HydrophobicContact CB-CZ 4.05Å; I52-F72 HydrophobicContact CG2-CD2 4.49Å; I52-F72 HydrophobicContact CG2-CE1 4.09Å; I52-F72 HydrophobicContact CG2-CE2 3.78Å; I52-F72 HydrophobicContact CG2-CZ 3.54Å; W53-F72 HydrophobicContact CB-CE1 3.99Å; W53-F72 HydrophobicContact CD2-CE1 4.24Å; W53-F72 AromaticContact CE3-CD1 3.85Å; W53-F72 HydrophobicContact CE3-CD1 3.85Å; W53-F72 AromaticContact CE3-CE1 3.48Å; W53-F72 HydrophobicContact CE3-CE1 3.48Å; W53-F72 VanDerWaalsContact CE3-CE1 3.48Å; W53-F72 HydrophobicContact CZ3-CD1 4.18Å; W53-F72 HydrophobicContact CZ3-CE1 4.24Å; L69-F72 HydrophobicContact CD2-CD1 4.13Å; L69-F72 HydrophobicContact CD2-CE1 4.44Å; F72-I74 HydrophobicContact CD2-CG1 4.04Å; F72-I74 HydrophobicContact CE2-CD1 3.95Å; F72-I74 HydrophobicContact CE2-CG1 3.69Å; F72-V83 HydrophobicContact CD1-CB 4.32Å; F72-V83 HydrophobicContact CD2-CB 4.31Å; F72-V83 HydrophobicContact CD2-CG2 4.32Å; F72-V83 HydrophobicContact CE1-CB 3.92Å; F72-V83 HydrophobicContact CE1-CG1 4.09Å; F72-V83 HydrophobicContact CE1-CG2 4.44Å; F72-V83 HydrophobicContact CE2-CB 3.86Å; F72-V83 HydrophobicContact CE2-CG2 3.59Å; F72-V83 HydrophobicContact CZ-CB 3.65Å; F72-V83 HydrophobicContact CZ-CG1 3.99Å; F72-V83 HydrophobicContact CZ-CG2 3.67Å; F72-V83 PolarHBondContact N-O 2.9Å; F72-V83 PolarHBondContact O-N 3.33Å
73F97.8Very high92.4Very high50 Ų5079.5 Ų79.522%0.21940%0.401CS..EExtended strand (participates in β ladder)trans-116.9140.2170.4-62.9-77.4000110.4W71 V75 I81 A82 T101 L104 K105W71-F73 AromaticContact CE3-CD2 3.95Å; W71-F73 HydrophobicContact CE3-CD2 3.95Å; W71-F73 AromaticContact CE3-CE2 3.55Å; W71-F73 HydrophobicContact CE3-CE2 3.55Å; W71-F73 HydrophobicContact CE3-CZ 4.25Å; W71-F73 HydrophobicContact CH2-CE2 4.12Å; W71-F73 AromaticContact CZ3-CD2 3.59Å; W71-F73 HydrophobicContact CZ3-CD2 3.59Å; W71-F73 AromaticContact CZ3-CE2 3.22Å; W71-F73 HydrophobicContact CZ3-CE2 3.22Å; W71-F73 HydrophobicContact CZ3-CZ 4.26Å; F73-V75 HydrophobicContact CB-CG2 4.23Å; F73-I81 CarbonylContact C-O 3.55Å; F73-I81 VanDerWaalsContact CA-O 3.28Å; F73-I81 WeakPolarHBondContact CA-O 3.4Å; F73-A82 HydrophobicContact CD1-CB 3.53Å; F73-A82 HydrophobicContact CE1-CB 3.36Å; F73-A82 HydrophobicContact CZ-CB 4.46Å; F73-T101 HydrophobicContact CD1-CG2 4Å; F73-T101 HydrophobicContact CD2-CG2 3.55Å; F73-T101 HydrophobicContact CE1-CG2 3.76Å; F73-T101 HydrophobicContact CE2-CG2 3.29Å; F73-T101 HydrophobicContact CG-CG2 3.91Å; F73-T101 HydrophobicContact CZ-CG2 3.43Å; F73-T101 VanDerWaalsContact CZ-CG2 3.43Å; F73-L104 HydrophobicContact CD1-CD2 4.07Å; F73-L104 HydrophobicContact CE1-CB 4.34Å; F73-L104 HydrophobicContact CE1-CD2 3.92Å; F73-L104 HydrophobicContact CE1-CG 4.02Å; F73-K105 HydrophobicContact CZ-CB 3.91Å; F73-K105 HydrophobicContact CZ-CG 4.41Å
74I96.6Very high93.1Very high54 Ų5475.3 Ų75.328%0.27737%0.373SS..EExtended strand (participates in β ladder)trans-103.6117.7162.1-50.9172.4000105.7I52 F72 K80 I81I52-I74 HydrophobicContact CD1-CD1 3.61Å; I52-I74 HydrophobicContact CD1-CG1 4.38Å; F72-I74 HydrophobicContact CD2-CG1 4.04Å; F72-I74 HydrophobicContact CE2-CD1 3.95Å; F72-I74 HydrophobicContact CE2-CG1 3.69Å; I74-K80 CarbonylContact O-C 3.5Å; I74-K80 VanDerWaalsContact O-CA 3.31Å; I74-K80 WeakPolarHBondContact O-CA 3.45Å; I74-I81 HydrophobicContact CB-CB 4.26Å; I74-I81 HydrophobicContact CD1-CB 4.48Å; I74-I81 PolarHBondContact N-O 3Å; I74-I81 PolarHBondContact O-N 3.12Å
75V96.7Very high93.9Very high98 Ų9873.1 Ų73.159%0.59436%0.36SS*.EExtended strand (participates in β ladder)trans-111.6119.7179.4-177.40000107.9F73 K80F73-V75 HydrophobicContact CB-CG2 4.23Å; V75-K80 HydrophobicContact CG1-CG 4.3Å; V75-K80 HydrophobicContact CG2-CG 4.31Å
76G94.7Very high94.8Very high44 Ų4465.6 Ų65.645%0.45433%0.326SS..EExtended strand (participates in β ladder)trans-121.4176.2173.200000111.2H78 G79G76-H78 PolarHBondContact O-N 2.81Å; G76-G79 PolarHBondContact N-O 3.03Å; G76-G79 PolarHBondContact O-N 3.29Å; G76-G79 VanDerWaalsContact O-O 3.06Å
77E96Very high95.4Very high172 Ų17259.2 Ų59.280%0.80429%0.292SS*.THydrogen-bonded Turntrans-62.2-33.7-179.9-62.7-178.1169.900112.5
78H94.8Very high95.7Very high158 Ų15857.7 Ų57.773%0.73129%0.287SS*.THydrogen-bonded Turntrans-104.712.8-175-56.8-55000114.3G76G76-H78 PolarHBondContact O-N 2.81Å
79G96.8Very high95.9Very high11 Ų1153.9 Ų53.911%0.11327%0.271CS..EExtended strand (participates in β ladder)trans154.6-176177.300000115G76 A95G76-G79 PolarHBondContact N-O 3.03Å; G76-G79 PolarHBondContact O-N 3.29Å; G76-G79 VanDerWaalsContact O-O 3.06Å; G79-A95 CarbonylContact C-O 3.59Å; G79-A95 WeakPolarHBondContact CA-O 3.43Å
80K97.9Very high96.1Very high27 Ų2751.9 Ų51.912%0.11726%0.261CS..EExtended strand (participates in β ladder)trans-127.6143.1179.6-59.3-177.5177103.30109.4I74 V75 R94 A95 P97 V99 L104I74-K80 CarbonylContact O-C 3.5Å; I74-K80 VanDerWaalsContact O-CA 3.31Å; I74-K80 WeakPolarHBondContact O-CA 3.45Å; V75-K80 HydrophobicContact CG1-CG 4.3Å; V75-K80 HydrophobicContact CG2-CG 4.31Å; K80-R94 CarbonylContact O-C 3.52Å; K80-R94 WeakPolarHBondContact O-CA 3.08Å; K80-A95 PolarHBondContact N-O 2.73Å; K80-A95 PolarHBondContact O-N 3.43Å; K80-P97 PolarHBondContact NZ-O 3.01Å; K80-V99 PolarHBondContact NZ-O 2.93Å; K80-L104 HydrophobicContact CB-CD2 3.88Å
81I97.8Very high96.3Very high35 Ų3546 Ų4618%0.17924%0.235CC..EExtended strand (participates in β ladder)trans-119.1127.3166.9-59.6174.7000107.5I45 F73 I74 V83 C92 M93I45-I81 HydrophobicContact CG1-CD1 4.35Å; I45-I81 HydrophobicContact CG2-CD1 4.18Å; I45-I81 HydrophobicContact CG2-CG2 4.44Å; F73-I81 CarbonylContact C-O 3.55Å; F73-I81 VanDerWaalsContact CA-O 3.28Å; F73-I81 WeakPolarHBondContact CA-O 3.4Å; I74-I81 HydrophobicContact CB-CB 4.26Å; I74-I81 HydrophobicContact CD1-CB 4.48Å; I74-I81 PolarHBondContact N-O 3Å; I74-I81 PolarHBondContact O-N 3.12Å; I81-V83 HydrophobicContact CG2-CG2 3.93Å; I81-C92 HydrophobicContact CG2-CB 4.49Å; I81-M93 CarbonylContact C-O 3.55Å; I81-M93 VanDerWaalsContact CA-O 3.29Å; I81-M93 WeakPolarHBondContact CA-O 3.24Å
82A98.5Very high96.4Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-106.2135.5171.900000109.5F73 C92 M93 L104 L108F73-A82 HydrophobicContact CD1-CB 3.53Å; F73-A82 HydrophobicContact CE1-CB 3.36Å; F73-A82 HydrophobicContact CZ-CB 4.46Å; A82-C92 CarbonylContact O-C 3.55Å; A82-C92 VanDerWaalsContact O-CA 3.24Å; A82-C92 WeakPolarHBondContact O-CA 3.38Å; A82-M93 PolarHBondContact N-O 3.41Å; A82-M93 PolarHBondContact O-N 2.87Å; A82-L104 HydrophobicContact CB-CD1 4.22Å; A82-L104 HydrophobicContact CB-CD2 3.76Å; A82-L104 HydrophobicContact CB-CG 3.67Å; A82-L108 HydrophobicContact CB-CD1 4.49Å; A82-L108 HydrophobicContact CB-CD2 3.91Å
83V98.5Very high96.4Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-130134.1-178.2-171.70000109.1A49 W53 W71 F72 I81 L90 L91 C92A49-V83 HydrophobicContact CB-CG1 4.49Å; A49-V83 HydrophobicContact CB-CG2 3.97Å; W53-V83 HydrophobicContact CE3-CB 4.49Å; W53-V83 HydrophobicContact CE3-CG1 3.75Å; W53-V83 HydrophobicContact CZ3-CG1 4.27Å; W71-V83 CarbonylContact C-O 3.51Å; W71-V83 WeakPolarHBondContact CA-O 3.38Å; W71-V83 VanDerWaalsContact CB-O 3.24Å; W71-V83 WeakPolarHBondContact CB-O 3.31Å; F72-V83 HydrophobicContact CD1-CB 4.32Å; F72-V83 HydrophobicContact CD2-CB 4.31Å; F72-V83 HydrophobicContact CD2-CG2 4.32Å; F72-V83 HydrophobicContact CE1-CB 3.92Å; F72-V83 HydrophobicContact CE1-CG1 4.09Å; F72-V83 HydrophobicContact CE1-CG2 4.44Å; F72-V83 HydrophobicContact CE2-CB 3.86Å; F72-V83 HydrophobicContact CE2-CG2 3.59Å; F72-V83 HydrophobicContact CZ-CB 3.65Å; F72-V83 HydrophobicContact CZ-CG1 3.99Å; F72-V83 HydrophobicContact CZ-CG2 3.67Å; F72-V83 PolarHBondContact N-O 2.9Å; F72-V83 PolarHBondContact O-N 3.33Å; I81-V83 HydrophobicContact CG2-CG2 3.93Å; V83-L90 HydrophobicContact CG1-CB 4.36Å; V83-L91 WeakPolarHBondContact CA-O 3.5Å; V83-C92 HydrophobicContact CG2-CB 4.41Å
84C97.9Very high96.4Very high0 Ų041.9 Ų41.90%022%0.217CC..EExtended strand (participates in β ladder)trans-142.9157.4169.773.30000111.6W71 L90 L91 L108W71-C84 HydrophobicContact CB-CB 3.82Å; C84-L90 WeakPolarHBondContact O-CA 3.24Å; C84-L91 PolarHBondContact N-O 3.34Å; C84-L91 PolarHBondContact O-N 3.04Å; C84-L108 HydrophobicContact CB-CD2 3.64Å; C84-L108 HydrophobicContact CB-CG 4.2Å; C84-L108 VanDerWaalsContact SG-CG 3.56Å
85R96Very high96.5Very high91 Ų9139.3 Ų39.334%0.34321%0.205SC..EExtended strand (participates in β ladder)trans-75.6136.3170.1-172.9170.671.8106.5-5.5111.3W53 S87 M89 L90 K112W53-R85 HydrophobicContact CH2-CB 3.79Å; W53-R85 HydrophobicContact CZ2-CB 3.62Å; R85-S87 WeakPolarHBondContact CD-O 3.28Å; R85-S87 VanDerWaalsContact CG-O 3.31Å; R85-S87 WeakPolarHBondContact CG-O 3.42Å; R85-S87 PolarHBondContact NH1-O 2.89Å; R85-M89 WeakPolarHBondContact CA-O 3.21Å; R85-L90 HydrophobicContact CB-CD2 4.45Å; R85-K112 WeakPolarHBondContact O-CD 3.39Å; R85-K112 WeakPolarHBondContact O-CE 3.47Å; R85-K112 PolarHBondContact O-NZ 3.12Å
86V95.1Very high96.6Very high0 Ų038.3 Ų38.30%019%0.193CC..EExtended strand (participates in β ladder)trans-130.4114.1167.659.60000108.2L24 T88 M89 L91 K112 L115 E116 L119L24-V86 HydrophobicContact CD1-CG1 3.52Å; V86-T88 PolarHBondContact O-N 3.49Å; V86-M89 HydrophobicContact CG1-CB 4.31Å; V86-M89 PolarHBondContact N-O 3.44Å; V86-M89 PolarHBondContact O-N 3.18Å; V86-L91 HydrophobicContact CG1-CB 3.99Å; V86-K112 HydrophobicContact CB-CG 4.24Å; V86-K112 HydrophobicContact CG2-CG 4.3Å; V86-L115 HydrophobicContact CG2-CB 3.89Å; V86-E116 WeakPolarHBondContact CA-OE2 3.45Å; V86-E116 HydrophobicContact CG2-CB 4.44Å; V86-L119 HydrophobicContact CG1-CD1 4.06Å; V86-L119 HydrophobicContact CG2-CD1 4.02Å
87S91.8Very high96.8Very high13 Ų1338.8 Ų38.89%0.09119%0.188CC..THydrogen-bonded Turntrans53.7-117.8-168.1-178.80000111.7R85 E116 A120R85-S87 WeakPolarHBondContact CD-O 3.28Å; R85-S87 VanDerWaalsContact CG-O 3.31Å; R85-S87 WeakPolarHBondContact CG-O 3.42Å; R85-S87 PolarHBondContact NH1-O 2.89Å; S87-E116 WeakPolarHBondContact CA-OE1 3.41Å; S87-E116 PolarHBondContact N-OE1 3.4Å; S87-E116 PolarHBondContact N-OE2 3.44Å; S87-A120 WeakPolarHBondContact OG-CA 3.24Å
88T91.3Very high96.8Very high66 Ų6636.5 Ų36.541%0.40519%0.186SC..THydrogen-bonded Turntrans-100.65175.756.10000113.4R27 V86 V123R27-T88 WeakPolarHBondContact CG-O 3.45Å; V86-T88 PolarHBondContact O-N 3.49Å; T88-V123 HydrophobicContact CG2-CG1 4.33Å; T88-V123 HydrophobicContact CG2-CG2 3.85Å; T88-V123 WeakPolarHBondContact OG1-CG2 3.24Å
89M94.4Very high97Very high31 Ų3129.4 Ų29.415%0.15315%0.154CC..EExtended strand (participates in β ladder)trans-112.2171.8-175.6-61.7172.4-17600111L24 T25 L32 R85 V86 L119L24-M89 HydrophobicContact CD1-CB 4.09Å; L24-M89 HydrophobicContact CD1-SD 4.48Å; L24-M89 HydrophobicContact CD2-SD 3.7Å; L24-M89 HydrophobicContact CG-CB 4.4Å; L24-M89 HydrophobicContact CG-SD 4.13Å; T25-M89 WeakPolarHBondContact O-CB 3.29Å; L32-M89 HydrophobicContact CD1-CE 3.63Å; L32-M89 HydrophobicContact CD1-CG 3.99Å; L32-M89 HydrophobicContact CD1-SD 3.39Å; L32-M89 WeakPolarHBondContact CD1-SD 3.35Å; R85-M89 WeakPolarHBondContact CA-O 3.21Å; V86-M89 HydrophobicContact CG1-CB 4.31Å; V86-M89 PolarHBondContact N-O 3.44Å; V86-M89 PolarHBondContact O-N 3.18Å; M89-L119 HydrophobicContact SD-CD1 4.12Å; M89-L119 HydrophobicContact SD-CD2 4.29Å
90L97.3Very high97Very high0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-114131.3173.9-55177.8000110L24 T25 W53 V83 C84 R85L24-L90 WeakPolarHBondContact CA-O 3.44Å; T25-L90 HydrophobicContact CG2-CB 3.82Å; T25-L90 PolarHBondContact N-O 3.12Å; T25-L90 PolarHBondContact O-N 2.79Å; W53-L90 HydrophobicContact CB-CD1 3.65Å; W53-L90 HydrophobicContact CB-CD2 4.44Å; W53-L90 HydrophobicContact CD2-CD1 4.25Å; W53-L90 HydrophobicContact CD2-CD2 3.38Å; W53-L90 HydrophobicContact CD2-CG 4.46Å; W53-L90 HydrophobicContact CE3-CD2 3.78Å; W53-L90 HydrophobicContact CG-CD1 3.73Å; W53-L90 HydrophobicContact CG-CD2 3.64Å; W53-L90 HydrophobicContact CG-CG 4.34Å; W53-L90 HydrophobicContact CZ2-CD2 4.21Å; W53-L90 HydrophobicContact CZ3-CD2 4.37Å; V83-L90 HydrophobicContact CG1-CB 4.36Å; C84-L90 WeakPolarHBondContact O-CA 3.24Å; R85-L90 HydrophobicContact CB-CD2 4.45Å
91L98.3Very high97Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-99.1126.9169.3176.267.4000108.1L11 L24 V83 C84 V86 M93 L108 I111 K112L11-L91 HydrophobicContact CD2-CD1 3.58Å; L24-L91 HydrophobicContact CD1-CB 4.49Å; V83-L91 WeakPolarHBondContact CA-O 3.5Å; C84-L91 PolarHBondContact N-O 3.34Å; C84-L91 PolarHBondContact O-N 3.04Å; V86-L91 HydrophobicContact CG1-CB 3.99Å; L91-M93 HydrophobicContact CD2-CE 4.19Å; L91-L108 HydrophobicContact CB-CD1 4.44Å; L91-L108 HydrophobicContact CD2-CD1 3.78Å; L91-L108 HydrophobicContact CD2-CG 4.41Å; L91-L108 HydrophobicContact CG-CD1 3.77Å; L91-I111 HydrophobicContact CD1-CG2 4.05Å; L91-I111 HydrophobicContact CD2-CB 3.95Å; L91-I111 HydrophobicContact CD2-CG2 3.68Å; L91-K112 HydrophobicContact CD2-CB 4.25Å
92C98.4Very high97Very high1 Ų138.4 Ų38.41%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-120142.7175.9-46.80000110.5S22 L23 I45 I81 A82 V83S22-C92 CarbonylContact C-O 3.58Å; S22-C92 WeakPolarHBondContact CA-O 3.48Å; L23-C92 HydrophobicContact CD1-CB 3.55Å; L23-C92 HydrophobicContact CG-CB 3.88Å; L23-C92 PolarHBondContact N-O 3.49Å; L23-C92 PolarHBondContact O-N 2.92Å; I45-C92 HydrophobicContact CG2-CB 4.41Å; I81-C92 HydrophobicContact CG2-CB 4.49Å; A82-C92 CarbonylContact O-C 3.55Å; A82-C92 VanDerWaalsContact O-CA 3.24Å; A82-C92 WeakPolarHBondContact O-CA 3.38Å; V83-C92 HydrophobicContact CG2-CB 4.41Å
93M98.5Very high96.9Very high1 Ų143.1 Ų43.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-129.9127.8171.9-69.2-176.3-176.600110.5A14 V19 A21 I81 A82 L91 L104 K107 L108 I111A14-M93 HydrophobicContact CB-CE 3.46Å; A14-M93 VanDerWaalsContact CB-CE 3.46Å; A14-M93 HydrophobicContact CB-SD 3.93Å; V19-M93 HydrophobicContact CG1-CB 4.34Å; A21-M93 CarbonylContact O-C 3.41Å; A21-M93 VanDerWaalsContact O-CA 3.31Å; A21-M93 WeakPolarHBondContact O-CA 3.29Å; I81-M93 CarbonylContact C-O 3.55Å; I81-M93 VanDerWaalsContact CA-O 3.29Å; I81-M93 WeakPolarHBondContact CA-O 3.24Å; A82-M93 PolarHBondContact N-O 3.41Å; A82-M93 PolarHBondContact O-N 2.87Å; L91-M93 HydrophobicContact CD2-CE 4.19Å; M93-L104 HydrophobicContact CB-CD1 3.96Å; M93-K107 HydrophobicContact SD-CB 4.16Å; M93-L108 HydrophobicContact CB-CD1 4.35Å; M93-L108 HydrophobicContact CE-CD1 4.21Å; M93-L108 HydrophobicContact CG-CD1 3.85Å; M93-L108 HydrophobicContact SD-CB 4.11Å; M93-L108 HydrophobicContact SD-CD1 4.03Å; M93-I111 HydrophobicContact CE-CB 3.7Å; M93-I111 HydrophobicContact CE-CG1 3.53Å; M93-I111 HydrophobicContact CE-CG2 4.16Å
94R98.2Very high96.9Very high77 Ų7743.1 Ų43.129%0.29123%0.234SC..EExtended strand (participates in β ladder)trans-93137.8171.4-174.6-174.9167.6-146.4-8.6109.3V19 T20 A21 E41 K80V19-R94 CarbonylContact C-O 3.55Å; V19-R94 WeakPolarHBondContact CA-O 3.47Å; V19-R94 WeakPolarHBondContact CG1-O 3.49Å; T20-R94 PolarHBondContact N-O 2.93Å; T20-R94 PolarHBondContact OG1-O 3.43Å; A21-R94 HydrophobicContact CB-CB 4.02Å; A21-R94 PolarHBondContact N-O 3.29Å; A21-R94 PolarHBondContact O-N 3.49Å; E41-R94 WeakPolarHBondContact OE1-CD 3.35Å; E41-R94 IonicContact OE1-CZ 3.31Å; E41-R94 VanDerWaalsContact OE1-CZ 3.31Å; E41-R94 IonicContact OE1-NE 3.56Å; E41-R94 IonicContact OE1-NH1 2.63Å; E41-R94 PolarHBondContact OE1-NH1 2.94Å; E41-R94 IonicContact OE2-NH1 3.56Å; K80-R94 CarbonylContact O-C 3.52Å; K80-R94 WeakPolarHBondContact O-CA 3.08Å
95A98.5Very high96.9Very high1 Ų146.8 Ų46.81%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-139.6153.717800000112.1G18 V19 G79 K80 V99 L104G18-A95 CarbonylContact O-C 3.59Å; G18-A95 WeakPolarHBondContact O-CA 3.42Å; V19-A95 HydrophobicContact CG2-CB 4.27Å; G79-A95 CarbonylContact C-O 3.59Å; G79-A95 WeakPolarHBondContact CA-O 3.43Å; K80-A95 PolarHBondContact N-O 2.73Å; K80-A95 PolarHBondContact O-N 3.43Å; A95-V99 HydrophobicContact CB-CB 4.02Å; A95-V99 HydrophobicContact CB-CG1 4.3Å; A95-V99 HydrophobicContact CB-CG2 4Å; A95-L104 HydrophobicContact CB-CD1 3.91Å; A95-L104 HydrophobicContact CB-CD2 3.98Å
96E98.2Very high97Very high77 Ų7744.7 Ų44.736%0.3625%0.252SS..  trans-58.8152.6169.8-67.2-60.6155.400111.4G18 T20 T98 V99G18-E96 WeakPolarHBondContact O-CG 3.37Å; G18-E96 PolarHBondContact O-N 3.3Å; T20-E96 HydrophobicContact CG2-CG 3.99Å; T20-E96 WeakPolarHBondContact CG2-OE1 3.45Å; E96-T98 PolarHBondContact O-N 2.98Å; E96-T98 VanDerWaalsContact O-N 3.15Å; E96-V99 HydrophobicContact CB-CG2 4.24Å; E96-V99 PolarHBondContact O-N 3.31Å; E96-V99 VanDerWaalsContact O-N 3.1Å
97P97.7Very high97.1Very high54 Ų5446 Ų4635%0.35126%0.258SS..THydrogen-bonded Turntrans-64.3-22.3-178.225.2-32.8000112.6K80 V99K80-P97 PolarHBondContact NZ-O 3.01Å; P97-V99 VanDerWaalsContact C-N 3.32Å; P97-V99 PolarHBondContact O-N 3.47Å
98T97.8Very high97.4Very high123 Ų12345.4 Ų45.476%0.75525%0.254SS*.THydrogen-bonded Turntrans-74.6-18.1177.655.90000113.8E96 Q100E96-T98 PolarHBondContact O-N 2.98Å; E96-T98 VanDerWaalsContact O-N 3.15Å; T98-Q100 PolarHBondContact O-N 2.91Å
99V98.1Very high97.7Very high10 Ų1044.7 Ų44.76%0.06125%0.246CC..SBendtrans-68.4127.9-178.3179.30000110.2S17 K80 A95 E96 P97 T101 L104S17-V99 WeakPolarHBondContact O-CG2 3.4Å; K80-V99 PolarHBondContact NZ-O 2.93Å; A95-V99 HydrophobicContact CB-CB 4.02Å; A95-V99 HydrophobicContact CB-CG1 4.3Å; A95-V99 HydrophobicContact CB-CG2 4Å; E96-V99 HydrophobicContact CB-CG2 4.24Å; E96-V99 PolarHBondContact O-N 3.31Å; E96-V99 VanDerWaalsContact O-N 3.1Å; P97-V99 VanDerWaalsContact C-N 3.32Å; P97-V99 PolarHBondContact O-N 3.47Å; V99-T101 PolarHBondContact O-N 3.06Å; V99-L104 HydrophobicContact CG1-CB 4.18Å
100Q97.4Very high97.9Very high154 Ų15448.4 Ų48.472%0.7227%0.265SS*.  trans-65.8132.3175.8-65-175.20.200110.6T98 G102 M103 L104T98-Q100 PolarHBondContact O-N 2.91Å; Q100-G102 PolarHBondContact O-N 3.08Å; Q100-G102 VanDerWaalsContact O-N 3.17Å; Q100-M103 HydrophobicContact CB-CB 4.43Å; Q100-M103 WeakPolarHBondContact O-CB 3.28Å; Q100-M103 PolarHBondContact O-N 3.15Å; Q100-L104 PolarHBondContact O-N 3.29Å
101T96.7Very high97.9Very high55 Ų5549 Ų4934%0.33727%0.268SS..Hα-helixtrans-57.3-34.7-177.7-51.20000112.5F73 V99 L104 K105F73-T101 HydrophobicContact CD1-CG2 4Å; F73-T101 HydrophobicContact CD2-CG2 3.55Å; F73-T101 HydrophobicContact CE1-CG2 3.76Å; F73-T101 HydrophobicContact CE2-CG2 3.29Å; F73-T101 HydrophobicContact CG-CG2 3.91Å; F73-T101 HydrophobicContact CZ-CG2 3.43Å; F73-T101 VanDerWaalsContact CZ-CG2 3.43Å; V99-T101 PolarHBondContact O-N 3.06Å; T101-L104 PolarHBondContact O-N 3.3Å; T101-K105 WeakPolarHBondContact O-CB 3.48Å; T101-K105 PolarHBondContact O-N 2.91Å
102G97.6Very high97.8Very high53 Ų5351.1 Ų51.155%0.54628%0.277SS..Hα-helixtrans-62.7-41.6174.600000113.3Q100 K105 A106Q100-G102 PolarHBondContact O-N 3.08Å; Q100-G102 VanDerWaalsContact O-N 3.17Å; G102-K105 WeakPolarHBondContact O-CB 3.31Å; G102-K105 PolarHBondContact O-N 2.85Å; G102-A106 WeakPolarHBondContact O-CB 3.38Å; G102-A106 PolarHBondContact O-N 3.3Å
103M97.2Very high97.7Very high98 Ų9857.6 Ų57.648%0.48331%0.307SS..Hα-helixtrans-66.3-44.1175.7-178.558.969.800111.2Q100 K105 A106 K107Q100-M103 HydrophobicContact CB-CB 4.43Å; Q100-M103 WeakPolarHBondContact O-CB 3.28Å; Q100-M103 PolarHBondContact O-N 3.15Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.39Å; M103-A106 PolarHBondContact O-N 3.32Å; M103-K107 HydrophobicContact CG-CD 4.43Å; M103-K107 PolarHBondContact O-N 3.35Å
104L98.2Very high97.5Very high0 Ų064.6 Ų64.60%034%0.335CS..Hα-helixtrans-60.3-42.9176.4-176.456.9000111.3V19 F73 K80 A82 M93 A95 V99 Q100 T101 L108V19-L104 HydrophobicContact CG2-CD1 3.95Å; F73-L104 HydrophobicContact CD1-CD2 4.07Å; F73-L104 HydrophobicContact CE1-CB 4.34Å; F73-L104 HydrophobicContact CE1-CD2 3.92Å; F73-L104 HydrophobicContact CE1-CG 4.02Å; K80-L104 HydrophobicContact CB-CD2 3.88Å; A82-L104 HydrophobicContact CB-CD1 4.22Å; A82-L104 HydrophobicContact CB-CD2 3.76Å; A82-L104 HydrophobicContact CB-CG 3.67Å; M93-L104 HydrophobicContact CB-CD1 3.96Å; A95-L104 HydrophobicContact CB-CD1 3.91Å; A95-L104 HydrophobicContact CB-CD2 3.98Å; V99-L104 HydrophobicContact CG1-CB 4.18Å; Q100-L104 PolarHBondContact O-N 3.29Å; T101-L104 PolarHBondContact O-N 3.3Å; L104-L108 WeakPolarHBondContact O-CB 3.39Å; L104-L108 PolarHBondContact O-N 3.42Å
105K98.1Very high97.4Very high78 Ų7861 Ų6134%0.33932%0.321SS..Hα-helixtrans-58.8-48.3173.6-168.8178.8170-1740112.1W71 F73 T101 G102 M103 L108 H109W71-K105 HydrophobicContact CZ2-CD 4.19Å; F73-K105 HydrophobicContact CZ-CB 3.91Å; F73-K105 HydrophobicContact CZ-CG 4.41Å; T101-K105 WeakPolarHBondContact O-CB 3.48Å; T101-K105 PolarHBondContact O-N 2.91Å; G102-K105 WeakPolarHBondContact O-CB 3.31Å; G102-K105 PolarHBondContact O-N 2.85Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.39Å; K105-L108 WeakPolarHBondContact O-CB 3.37Å; K105-L108 PolarHBondContact O-N 2.9Å; K105-H109 PolarHBondContact O-CD2 3.26Å; K105-H109 PolarHBondContact O-N 3.14Å
106A98.1Very high97.1Very high46 Ų4663.9 Ų63.938%0.3833%0.334SS..Hα-helixtrans-61.7-46.1-177.100000111.3G102 M103 L108 H109 I110G102-A106 WeakPolarHBondContact O-CB 3.38Å; G102-A106 PolarHBondContact O-N 3.3Å; M103-A106 PolarHBondContact O-N 3.32Å; A106-L108 PolarHBondContact O-N 3.1Å; A106-H109 PolarHBondContact O-N 3.15Å; A106-I110 WeakPolarHBondContact O-CG1 3.47Å; A106-I110 PolarHBondContact O-N 2.88Å
107K98.1Very high96.8Very high28 Ų2863.7 Ų63.712%0.12235%0.346CS..Hα-helixtrans-59.5-46174.6-77173.4162.8-84.20112.1A14 T16 V19 M93 M103 H109 I110 I111A14-K107 PolarHBondContact O-NZ 2.97Å; T16-K107 WeakPolarHBondContact O-CE 3.44Å; T16-K107 PolarHBondContact O-NZ 3.25Å; T16-K107 VanDerWaalsContact O-NZ 3.16Å; T16-K107 PolarHBondContact OG1-NZ 3.32Å; V19-K107 HydrophobicContact CG2-CD 3.66Å; M93-K107 HydrophobicContact SD-CB 4.16Å; M103-K107 HydrophobicContact CG-CD 4.43Å; M103-K107 PolarHBondContact O-N 3.35Å; K107-H109 VanDerWaalsContact C-N 3.32Å; K107-H109 PolarHBondContact O-N 2.87Å; K107-I110 PolarHBondContact O-N 3.41Å; K107-I111 WeakPolarHBondContact O-CG1 3.14Å; K107-I111 PolarHBondContact O-N 3.03Å
108L98.2Very high96.4Very high1 Ų163 Ų631%0.00534%0.341CS..Hα-helixtrans-57.5-46.4177.3-172.475.2000111.5A82 C84 L91 M93 L104 K105 A106 K112A82-L108 HydrophobicContact CB-CD1 4.49Å; A82-L108 HydrophobicContact CB-CD2 3.91Å; C84-L108 HydrophobicContact CB-CD2 3.64Å; C84-L108 HydrophobicContact CB-CG 4.2Å; C84-L108 VanDerWaalsContact SG-CG 3.56Å; L91-L108 HydrophobicContact CB-CD1 4.44Å; L91-L108 HydrophobicContact CD2-CD1 3.78Å; L91-L108 HydrophobicContact CD2-CG 4.41Å; L91-L108 HydrophobicContact CG-CD1 3.77Å; M93-L108 HydrophobicContact CB-CD1 4.35Å; M93-L108 HydrophobicContact CE-CD1 4.21Å; M93-L108 HydrophobicContact CG-CD1 3.85Å; M93-L108 HydrophobicContact SD-CB 4.11Å; M93-L108 HydrophobicContact SD-CD1 4.03Å; L104-L108 WeakPolarHBondContact O-CB 3.39Å; L104-L108 PolarHBondContact O-N 3.42Å; K105-L108 WeakPolarHBondContact O-CB 3.37Å; K105-L108 PolarHBondContact O-N 2.9Å; A106-L108 PolarHBondContact O-N 3.1Å; L108-K112 WeakPolarHBondContact O-CB 3.16Å; L108-K112 PolarHBondContact O-N 2.83Å
109H97.8Very high96.1Very high51 Ų5157.2 Ų57.224%0.23631%0.306CS..Hα-helixtrans-66.3-42.1-179.6-93.5-88.3000113.5W71 K105 A106 K107 I111 K112 E113W71-H109 AromaticContact CD1-NE2 3.77Å; K105-H109 PolarHBondContact O-CD2 3.26Å; K105-H109 PolarHBondContact O-N 3.14Å; A106-H109 PolarHBondContact O-N 3.15Å; K107-H109 VanDerWaalsContact C-N 3.32Å; K107-H109 PolarHBondContact O-N 2.87Å; H109-I111 VanDerWaalsContact C-N 3.35Å; H109-I111 PolarHBondContact O-N 3.44Å; H109-K112 WeakPolarHBondContact O-CB 3.41Å; H109-K112 PolarHBondContact O-N 2.79Å; H109-E113 WeakPolarHBondContact O-CB 3.42Å; H109-E113 WeakPolarHBondContact O-CG 3.36Å; H109-E113 PolarHBondContact O-N 3.27Å
110I97.6Very high95.6Very high109 Ų10959.2 Ų59.256%0.55932%0.323SS*.Hα-helixtrans-61.7-45178.4-70.4166.2000110.8A106 K107 E113 Y114A106-I110 WeakPolarHBondContact O-CG1 3.47Å; A106-I110 PolarHBondContact O-N 2.88Å; K107-I110 PolarHBondContact O-N 3.41Å; I110-E113 PolarHBondContact O-N 3.38Å; I110-Y114 WeakPolarHBondContact O-CB 3.33Å; I110-Y114 PolarHBondContact O-N 3.5Å
111I97.2Very high94.8Very high13 Ų1355.8 Ų55.87%0.06732%0.316CS..Hα-helixtrans-67.3-39.9177.7-62.9-59.1000111.1V10 L11 Q13 A14 L91 M93 K107 H109 Y114 L115V10-I111 HydrophobicContact CG1-CD1 4.2Å; V10-I111 HydrophobicContact CG1-CG2 4.36Å; L11-I111 HydrophobicContact CD2-CG2 4.36Å; Q13-I111 HydrophobicContact CB-CD1 4.45Å; A14-I111 HydrophobicContact CB-CG1 4.08Å; L91-I111 HydrophobicContact CD1-CG2 4.05Å; L91-I111 HydrophobicContact CD2-CB 3.95Å; L91-I111 HydrophobicContact CD2-CG2 3.68Å; M93-I111 HydrophobicContact CE-CB 3.7Å; M93-I111 HydrophobicContact CE-CG1 3.53Å; M93-I111 HydrophobicContact CE-CG2 4.16Å; K107-I111 WeakPolarHBondContact O-CG1 3.14Å; K107-I111 PolarHBondContact O-N 3.03Å; H109-I111 VanDerWaalsContact C-N 3.35Å; H109-I111 PolarHBondContact O-N 3.44Å; I111-Y114 PolarHBondContact O-N 3.45Å; I111-L115 HydrophobicContact CG2-CD1 3.74Å; I111-L115 HydrophobicContact CG2-CG 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.2Å; I111-L115 WeakPolarHBondContact O-CG 3.29Å; I111-L115 PolarHBondContact O-N 2.56Å
112K96.9Very high93.8Very high44 Ų4456.6 Ų56.619%0.19132%0.319CS..Hα-helixtrans-55.6-53.6172.4167.7-179172.2150.90111.2R85 V86 L91 L108 H109 Y114 L115 E116R85-K112 WeakPolarHBondContact O-CD 3.39Å; R85-K112 WeakPolarHBondContact O-CE 3.47Å; R85-K112 PolarHBondContact O-NZ 3.12Å; V86-K112 HydrophobicContact CB-CG 4.24Å; V86-K112 HydrophobicContact CG2-CG 4.3Å; L91-K112 HydrophobicContact CD2-CB 4.25Å; L108-K112 WeakPolarHBondContact O-CB 3.16Å; L108-K112 PolarHBondContact O-N 2.83Å; H109-K112 WeakPolarHBondContact O-CB 3.41Å; H109-K112 PolarHBondContact O-N 2.79Å; K112-Y114 VanDerWaalsContact C-N 3.29Å; K112-Y114 PolarHBondContact O-N 2.97Å; K112-L115 CarbonylContact O-C 3.49Å; K112-L115 PolarHBondContact O-N 2.85Å; K112-L115 VanDerWaalsContact O-N 3.09Å; K112-E116 WeakPolarHBondContact CE-OE2 3.41Å; K112-E116 WeakPolarHBondContact O-CB 3.31Å; K112-E116 PolarHBondContact O-N 2.64Å
113E96Very high92.3Very high137 Ų13756.8 Ų56.864%0.6431%0.309SS*.Hα-helixtrans-59-42.4-177.5-76.7172.7-169.300111.7H109 I110 L115H109-E113 WeakPolarHBondContact O-CB 3.42Å; H109-E113 WeakPolarHBondContact O-CG 3.36Å; H109-E113 PolarHBondContact O-N 3.27Å; I110-E113 PolarHBondContact O-N 3.38Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.32Å
114Y95.1Very high90Very high148 Ų14857.8 Ų57.858%0.5832%0.322SS*.Hα-helixtrans-64-37.5176.7-171.5-88.1000112.7V10 I110 I111 K112 P118V10-Y114 HydrophobicContact CB-CE1 4.45Å; V10-Y114 HydrophobicContact CG1-CD1 3.71Å; V10-Y114 HydrophobicContact CG1-CE1 4.11Å; V10-Y114 HydrophobicContact CG2-CD1 3.96Å; V10-Y114 HydrophobicContact CG2-CE1 3.45Å; V10-Y114 VanDerWaalsContact CG2-CE1 3.45Å; I110-Y114 WeakPolarHBondContact O-CB 3.33Å; I110-Y114 PolarHBondContact O-N 3.5Å; I111-Y114 PolarHBondContact O-N 3.45Å; K112-Y114 VanDerWaalsContact C-N 3.29Å; K112-Y114 PolarHBondContact O-N 2.97Å; Y114-P118 VanDerWaalsContact O-CD 3.28Å; Y114-P118 WeakPolarHBondContact O-CD 3.47Å; Y114-P118 WeakPolarHBondContact O-CG 3.33Å
115L94.3Very high87.7Confident0 Ų073.1 Ų73.10%038%0.38CS..Hα-helixtrans-88.5-18.1-176.6-69.3179.9000114.3L2 L7 V10 L11 V86 I111 K112 E113 A117 P118 L119L2-L115 HydrophobicContact CD2-CD2 4.03Å; L7-L115 HydrophobicContact CD1-CD1 4.01Å; L7-L115 HydrophobicContact CD1-CD2 3.7Å; V10-L115 HydrophobicContact CB-CD2 4.42Å; V10-L115 HydrophobicContact CG1-CD1 4.38Å; V10-L115 HydrophobicContact CG1-CD2 3.85Å; V10-L115 HydrophobicContact CG1-CG 4.06Å; L11-L115 HydrophobicContact CD2-CD1 4.28Å; V86-L115 HydrophobicContact CG2-CB 3.89Å; I111-L115 HydrophobicContact CG2-CD1 3.74Å; I111-L115 HydrophobicContact CG2-CG 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.2Å; I111-L115 WeakPolarHBondContact O-CG 3.29Å; I111-L115 PolarHBondContact O-N 2.56Å; K112-L115 CarbonylContact O-C 3.49Å; K112-L115 PolarHBondContact O-N 2.85Å; K112-L115 VanDerWaalsContact O-N 3.09Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.32Å; L115-A117 PolarHBondContact O-N 2.99Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; L115-L119 HydrophobicContact CB-CD1 3.9Å; L115-L119 HydrophobicContact CB-CG 4.31Å; L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.31Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.39Å
116E93.1Very high87.2Confident62 Ų6272.9 Ų72.929%0.2938%0.382SS..Hα-helixtrans-56.7-55.5-173.1-164.773.7-144.400111.8V86 S87 K112 A120V86-E116 WeakPolarHBondContact CA-OE2 3.45Å; V86-E116 HydrophobicContact CG2-CB 4.44Å; S87-E116 WeakPolarHBondContact CA-OE1 3.41Å; S87-E116 PolarHBondContact N-OE1 3.4Å; S87-E116 PolarHBondContact N-OE2 3.44Å; K112-E116 WeakPolarHBondContact CE-OE2 3.41Å; K112-E116 WeakPolarHBondContact O-CB 3.31Å; K112-E116 PolarHBondContact O-N 2.64Å; E116-A120 VanDerWaalsContact O-CB 3.27Å; E116-A120 WeakPolarHBondContact O-CB 3.34Å; E116-A120 PolarHBondContact O-N 3.13Å
117A90.7Very high86.6Confident74 Ų7474.3 Ų74.361%0.61238%0.383SS*.Hα-helixtrans-68-46.7-178.200000113.1L115 L119 A120 S121L115-A117 PolarHBondContact O-N 2.99Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 PolarHBondContact O-N 3.19Å; A117-A120 PolarHBondContact O-N 2.87Å; A117-S121 PolarHBondContact O-N 3.11Å
118P90.6Very high86Confident38 Ų3876.8 Ų76.825%0.24740%0.397CS..Hα-helixtrans-58-40.6175.4-25.833.2000113.9L2 Y114 L115 S121L2-P118 HydrophobicContact CB-CB 4.4Å; L2-P118 HydrophobicContact CD1-CB 3.95Å; L2-P118 HydrophobicContact CD1-CG 4.48Å; L2-P118 HydrophobicContact CD2-CB 4.42Å; Y114-P118 VanDerWaalsContact O-CD 3.28Å; Y114-P118 WeakPolarHBondContact O-CD 3.47Å; Y114-P118 WeakPolarHBondContact O-CG 3.33Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; P118-S121 PolarHBondContact O-OG 3.01Å
119L90.4Very high85.3Confident3 Ų381.3 Ų81.32%0.01642%0.42CS..Hα-helixtrans-79.1-30.4-178.7-64.8180000112.8L2 L24 V86 M89 L115 A117 S121 L122L2-L119 HydrophobicContact CD2-CD2 4.29Å; L24-L119 HydrophobicContact CD1-CD1 4.06Å; L24-L119 HydrophobicContact CD2-CD1 3.82Å; L24-L119 HydrophobicContact CD2-CD2 4.28Å; V86-L119 HydrophobicContact CG1-CD1 4.06Å; V86-L119 HydrophobicContact CG2-CD1 4.02Å; M89-L119 HydrophobicContact SD-CD1 4.12Å; M89-L119 HydrophobicContact SD-CD2 4.29Å; L115-L119 HydrophobicContact CB-CD1 3.9Å; L115-L119 HydrophobicContact CB-CG 4.31Å; L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.31Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.39Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 PolarHBondContact O-N 3.19Å; L119-S121 PolarHBondContact O-N 2.99Å; L119-L122 HydrophobicContact CD2-CD1 3.75Å; L119-L122 WeakPolarHBondContact O-CB 3.33Å; L119-L122 PolarHBondContact O-N 3.38Å; L119-L122 VanDerWaalsContact O-N 3.08Å
120A87.9Confident84.5Confident51 Ų5183.2 Ų83.242%0.42143%0.432SS..Hα-helixtrans-59-32.517300000112.4S87 E116 A117 L122 V123S87-A120 WeakPolarHBondContact OG-CA 3.24Å; E116-A120 VanDerWaalsContact O-CB 3.27Å; E116-A120 WeakPolarHBondContact O-CB 3.34Å; E116-A120 PolarHBondContact O-N 3.13Å; A117-A120 PolarHBondContact O-N 2.87Å; A120-L122 PolarHBondContact O-N 3.33Å; A120-V123 PolarHBondContact O-N 3.08Å
121S81.5Confident83.6Confident82 Ų8281.5 Ų81.557%0.57342%0.423SS*.THydrogen-bonded Turntrans-71-9.9177.375.40000114.9A117 P118 L119A117-S121 PolarHBondContact O-N 3.11Å; P118-S121 PolarHBondContact O-OG 3.01Å; L119-S121 PolarHBondContact O-N 2.99Å
122L75.9Confident82.6Confident73 Ų7386.4 Ų86.438%0.38245%0.449SS..THydrogen-bonded Turntrans-92.9-11.4-178.8-62.6174.5000113.2L119 A120L119-L122 HydrophobicContact CD2-CD1 3.75Å; L119-L122 WeakPolarHBondContact O-CB 3.33Å; L119-L122 PolarHBondContact O-N 3.38Å; L119-L122 VanDerWaalsContact O-N 3.08Å; A120-L122 PolarHBondContact O-N 3.33Å
123V64.4Low81.5Confident57 Ų5789.6 Ų89.635%0.34547%0.468SS..SBendtrans-87.6122.2178.3-172.70000107.9T88 A120 R125T88-V123 HydrophobicContact CG2-CG1 4.33Å; T88-V123 HydrophobicContact CG2-CG2 3.85Å; T88-V123 WeakPolarHBondContact OG1-CG2 3.24Å; A120-V123 PolarHBondContact O-N 3.08Å; V123-R125 PolarHBondContact O-N 2.76Å
124P50.8Low80.3Confident118 Ų11885.7 Ų85.777%0.76645%0.454SS*.  trans-59.6130.1170.2-12.125.6000108.2
125R49.2Very low79Confident322 Ų32280 Ų80100%1.21544%0.443SS*.  trans-63.80172.9-73.7-173-179.5-1740.1111.3V123V123-R125 PolarHBondContact O-N 2.76Å

Retrieved 125 of 125 residues in 845.1 ms (Link to these results)

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