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Queuine tRNA-ribosyltransferase accessory subunit 2

Non-catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine).

AlphaFold DB , UniProt , Accession Z4YJE9, Species MOUSE (Mus musculus, Mouse), Gene Qtrt2, Length 345 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
1M63.4Low89.6Confident218 Ų21884.2 Ų84.2100%1.07443%0.432SS*.  0137.40-79.4-173.5-173.500107.5
2M82.8Confident89.7Confident48 Ų4880.4 Ų80.424%0.23643%0.43CS..  trans-54.1137.9175-178.7-179.475.200110.4I18 L21 G145 P178M2-I18 HydrophobicContact CG-CG2 3.25Å; M2-I18 HydrophobicContact SD-CG2 3.51Å; M2-I18 VanDerWaalsContact SD-CG2 3.51Å; M2-L21 HydrophobicContact CB-CD2 4.37Å; M2-L21 HydrophobicContact CG-CD2 3.63Å; M2-L21 HydrophobicContact CG-CG 4.19Å; M2-L21 HydrophobicContact SD-CD2 3.42Å; M2-L21 WeakPolarHBondContact SD-CD2 3.43Å; M2-L21 HydrophobicContact SD-CG 4.48Å; M2-G145 WeakPolarHBondContact CE-O 3.34Å; M2-P178 VanDerWaalsContact CE-CD 3.42Å; M2-P178 HydrophobicContact CE-CG 3.53Å; M2-P178 HydrophobicContact SD-CG 4.19Å
3K88.3Confident90.2Very high124 Ų12474.4 Ų74.454%0.53940%0.398SS..EExtended strand (participates in β ladder)trans-128.4114.8179.2-176.7-176.8178.8-174.90109.8Q19K3-Q19 PolarHBondContact N-O 3.42Å; K3-Q19 PolarHBondContact O-N 2.92Å
4L94.4Very high90.8Very high20 Ų2069.6 Ų69.611%0.10537%0.371CS..EExtended strand (participates in β ladder)trans-84.7134171.1-173.9150.2000109.4L6 I18 I31 D176 P178L4-L6 HydrophobicContact CD2-CD1 4.46Å; L4-L6 HydrophobicContact CD2-CD2 3.65Å; L4-L6 HydrophobicContact CD2-CG 3.69Å; L4-I18 HydrophobicContact CD1-CG1 4.23Å; L4-I18 HydrophobicContact CG-CG1 4.42Å; L4-I31 HydrophobicContact CD1-CD1 3.82Å; L4-I31 HydrophobicContact CD2-CD1 4.46Å; L4-I31 HydrophobicContact CG-CD1 4.13Å; L4-D176 WeakPolarHBondContact CB-O 3.34Å; L4-P178 HydrophobicContact CD1-CB 4Å
5S95.4Very high91.3Very high37 Ų3765.9 Ų65.926%0.25935%0.351SS..EExtended strand (participates in β ladder)trans-130.1119.2177.455.40000109.4G16 K17S5-G16 CarbonylContact O-C 3.6Å; S5-G16 WeakPolarHBondContact O-CA 3.39Å; S5-K17 PolarHBondContact N-O 3Å; S5-K17 PolarHBondContact O-N 2.91Å; S5-K17 PolarHBondContact OG-O 3.25Å
6L96.5Very high91.7Very high58 Ų5861.9 Ų61.930%0.30433%0.33SS..EExtended strand (participates in β ladder)trans-89.4132.3176.3-60.9175.3000109.3L4 V9 R14 I31L4-L6 HydrophobicContact CD2-CD1 4.46Å; L4-L6 HydrophobicContact CD2-CD2 3.65Å; L4-L6 HydrophobicContact CD2-CG 3.69Å; L6-V9 HydrophobicContact CD1-CG2 3.93Å; L6-R14 HydrophobicContact CD2-CB 3.94Å; L6-R14 HydrophobicContact CD2-CG 4.4Å; L6-I31 HydrophobicContact CD2-CD1 4.06Å
7I95.4Very high92Very high116 Ų11662.9 Ų62.960%0.59533%0.332SS*.EExtended strand (participates in β ladder)trans-82.2-46.7170.7-62.1169.4000108.6L15I7-L15 PolarHBondContact N-O 3.35Å
8K93.7Very high92.1Very high61 Ų6159.6 Ų59.627%0.26531%0.314SS..EExtended strand (participates in β ladder)trans-159.9159.2175.762.7-179.6-168168.90111.7V10 L15 L328 K329K8-V10 HydrophobicContact CD-CG2 3.73Å; K8-V10 HydrophobicContact CG-CG2 4.02Å; K8-L15 HydrophobicContact CD-CD2 4.39Å; K8-L15 HydrophobicContact CG-CB 4.03Å; K8-L15 HydrophobicContact CG-CD2 4Å; K8-L15 PolarHBondContact N-O 2.97Å; K8-L15 PolarHBondContact O-N 3.25Å; K8-L328 WeakPolarHBondContact CE-O 3.4Å; K8-L328 PolarHBondContact NZ-O 3.29Å; K8-K329 VanDerWaalsContact NZ-C 3.3Å; K8-K329 PolarHBondContact NZ-O 3.42Å
9V95.1Very high92.1Very high78 Ų7860 Ų6047%0.47331%0.314SS..EExtended strand (participates in β ladder)trans-119119.7169.7-176.50000107.8L6 C13 R14L6-V9 HydrophobicContact CD1-CG2 3.93Å; V9-C13 CarbonylContact C-O 3.6Å; V9-C13 VanDerWaalsContact CA-O 3.24Å; V9-C13 WeakPolarHBondContact CA-O 3.44Å; V9-R14 HydrophobicContact CG2-CG 4.28Å
10V90.6Very high91.8Very high23 Ų2361 Ų6114%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-122.8117.2-176.4178.30000107.9K8 G12 C13 D331K8-V10 HydrophobicContact CD-CG2 3.73Å; K8-V10 HydrophobicContact CG-CG2 4.02Å; V10-G12 PolarHBondContact O-N 3.49Å; V10-C13 PolarHBondContact N-O 3.09Å; V10-C13 WeakPolarHBondContact O-CA 3.43Å; V10-C13 WeakPolarHBondContact O-CB 3.3Å; V10-C13 PolarHBondContact O-N 3.33Å; V10-C13 PolarHBondContact O-SG 3.45Å; V10-C13 VanDerWaalsContact O-SG 3.34Å; V10-D331 WeakPolarHBondContact CG1-OD1 3.31Å
11N90.1Very high91.3Very high143 Ų14358.9 Ų58.977%0.76531%0.309SS*.THydrogen-bonded Turntrans49.442.5-179.5-56.5-29.1000113.4C13N11-C13 PolarHBondContact O-N 2.65Å
12G90.5Very high91.6Very high39 Ų3950.3 Ų50.340%0.40228%0.276SS..THydrogen-bonded Turntrans81.8-15.4-176.600000115.4V10V10-G12 PolarHBondContact O-N 3.49Å
13C96.9Very high90.8Very high2 Ų255.6 Ų55.61%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-76.1131177.6-48.80000111.1V9 V10 N11 I194 E195 L328 L333V9-C13 CarbonylContact C-O 3.6Å; V9-C13 VanDerWaalsContact CA-O 3.24Å; V9-C13 WeakPolarHBondContact CA-O 3.44Å; V10-C13 PolarHBondContact N-O 3.09Å; V10-C13 WeakPolarHBondContact O-CA 3.43Å; V10-C13 WeakPolarHBondContact O-CB 3.3Å; V10-C13 PolarHBondContact O-N 3.33Å; V10-C13 PolarHBondContact O-SG 3.45Å; V10-C13 VanDerWaalsContact O-SG 3.34Å; N11-C13 PolarHBondContact O-N 2.65Å; C13-I194 HydrophobicContact CB-CG2 3.99Å; C13-E195 VanDerWaalsContact SG-CA 3.57Å; C13-L328 HydrophobicContact CB-CD1 4.28Å; C13-L328 HydrophobicContact CB-CD2 3.39Å; C13-L328 HydrophobicContact CB-CG 4.49Å; C13-L333 WeakPolarHBondContact SG-CD2 3.49Å
14R97.9Very high90Very high8 Ų853.1 Ų53.13%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-102107.2-175.4-69.6158.653.584.5-2111L6 V9 P32 E175 D199L6-R14 HydrophobicContact CD2-CB 3.94Å; L6-R14 HydrophobicContact CD2-CG 4.4Å; V9-R14 HydrophobicContact CG2-CG 4.28Å; R14-P32 WeakPolarHBondContact O-CD 3.45Å; R14-E175 VanDerWaalsContact CZ-O 3.26Å; R14-E175 PolarHBondContact NH1-O 3.48Å; R14-E175 PolarHBondContact NH2-O 2.71Å; R14-D199 WeakPolarHBondContact CB-OD1 3.41Å; R14-D199 WeakPolarHBondContact CD-OD1 3.29Å; R14-D199 IonicContact CZ-OD1 2.71Å; R14-D199 IonicContact CZ-OD2 2.89Å; R14-D199 IonicContact NE-OD1 3.62Å; R14-D199 PolarHBondContact NE-OD1 3.37Å; R14-D199 IonicContact NE-OD2 2.75Å; R14-D199 PolarHBondContact NE-OD2 3.3Å; R14-D199 IonicContact NH2-OD1 2.75Å; R14-D199 IonicContact NH2-OD2 2.72Å; R14-D199 PolarHBondContact NH2-OD2 2.88Å
15L98.2Very high89.1Confident13 Ų1353.5 Ų53.57%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-95.4123.6173.3-178.965.5000109.6I7 K8 I31 R325 L328 K329I7-L15 PolarHBondContact N-O 3.35Å; K8-L15 HydrophobicContact CD-CD2 4.39Å; K8-L15 HydrophobicContact CG-CB 4.03Å; K8-L15 HydrophobicContact CG-CD2 4Å; K8-L15 PolarHBondContact N-O 2.97Å; K8-L15 PolarHBondContact O-N 3.25Å; L15-I31 WeakPolarHBondContact CA-O 3.38Å; L15-R325 HydrophobicContact CD1-CB 4.09Å; L15-R325 HydrophobicContact CD1-CG 4.15Å; L15-L328 HydrophobicContact CB-CB 4.43Å; L15-L328 HydrophobicContact CB-CD1 4.4Å; L15-L328 HydrophobicContact CD1-CB 4.36Å; L15-L328 HydrophobicContact CD1-CD1 4.45Å; L15-L328 HydrophobicContact CD2-CB 4.3Å; L15-K329 HydrophobicContact CD2-CB 4.23Å
16G97.3Very high88.5Confident2 Ų257.5 Ų57.52%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-174.9-166.2-175.500000114.4S5 I31S5-G16 CarbonylContact O-C 3.6Å; S5-G16 WeakPolarHBondContact O-CA 3.39Å; G16-I31 VanDerWaalsContact C-CG1 3.42Å; G16-I31 PolarHBondContact N-O 3.3Å; G16-I31 WeakPolarHBondContact O-CG1 3.44Å; G16-I31 PolarHBondContact O-N 3.41Å
17K97.1Very high88Confident80 Ų8055.9 Ų55.935%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-140.2142.7175.3-53.4-170.1-178.1-114.50110.9S5 T28 V29 D30S5-K17 PolarHBondContact N-O 3Å; S5-K17 PolarHBondContact O-N 2.91Å; S5-K17 PolarHBondContact OG-O 3.25Å; K17-T28 HydrophobicContact CB-CG2 3.89Å; K17-T28 HydrophobicContact CD-CG2 3.94Å; K17-T28 HydrophobicContact CG-CG2 4.43Å; K17-V29 CarbonylContact C-O 3.57Å; K17-V29 VanDerWaalsContact CA-O 3.3Å; K17-V29 WeakPolarHBondContact CA-O 3.42Å; K17-D30 VanDerWaalsContact CD-OD1 3.28Å; K17-D30 WeakPolarHBondContact CD-OD1 3.44Å; K17-D30 WeakPolarHBondContact CE-OD1 3.45Å; K17-D30 VanDerWaalsContact CG-OD1 3.26Å; K17-D30 WeakPolarHBondContact CG-OD1 3.23Å; K17-D30 IonicContact NZ-OD1 3.8Å; K17-D30 PolarHBondContact NZ-OD1 3.43Å; K17-D30 IonicContact NZ-OD2 3.05Å
18I94.3Very high87.8Confident2 Ų253.5 Ų53.51%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-98.5117168.9-49.6169.8000107.2M2 L4 L21 T28 V29 I31 P178 L200M2-I18 HydrophobicContact CG-CG2 3.25Å; M2-I18 HydrophobicContact SD-CG2 3.51Å; M2-I18 VanDerWaalsContact SD-CG2 3.51Å; L4-I18 HydrophobicContact CD1-CG1 4.23Å; L4-I18 HydrophobicContact CG-CG1 4.42Å; I18-L21 HydrophobicContact CB-CD1 3.83Å; I18-L21 HydrophobicContact CB-CG 4.43Å; I18-L21 HydrophobicContact CG2-CD1 3.65Å; I18-L21 HydrophobicContact CG2-CD2 3.84Å; I18-L21 HydrophobicContact CG2-CG 3.73Å; I18-L21 WeakPolarHBondContact O-CD1 3.45Å; I18-T28 CarbonylContact O-C 3.52Å; I18-T28 VanDerWaalsContact O-CA 3.25Å; I18-T28 WeakPolarHBondContact O-CA 3.18Å; I18-V29 PolarHBondContact N-O 3.3Å; I18-V29 PolarHBondContact O-N 2.97Å; I18-I31 HydrophobicContact CD1-CG2 3.83Å; I18-I31 HydrophobicContact CG1-CG2 4.01Å; I18-P178 HydrophobicContact CD1-CB 3.66Å; I18-P178 HydrophobicContact CD1-CG 4.15Å; I18-P178 HydrophobicContact CG1-CB 4.5Å; I18-L200 HydrophobicContact CD1-CD1 3.87Å
19Q92.1Very high87.9Confident68 Ų6851.1 Ų51.132%0.31830%0.303SS..EExtended strand (participates in β ladder)trans-108.8167.3-176.7-56.6179.2-63.900111K3 L21 T28K3-Q19 PolarHBondContact N-O 3.42Å; K3-Q19 PolarHBondContact O-N 2.92Å; Q19-L21 PolarHBondContact O-N 3.32Å; Q19-T28 HydrophobicContact CG-CG2 4.17Å
20N86Confident88Confident79 Ų7950.1 Ų50.142%0.42230%0.295SS..EExtended strand (participates in β ladder)trans57.336.9178.1-50.5-29.5000112.8G25 C27N20-G25 WeakPolarHBondContact CA-O 3.44Å; N20-C27 PolarHBondContact N-O 3.4Å
21L81.4Confident88.3Confident18 Ų1849 Ų499%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-81.6155.3176.2-75.7163.5000111.2M2 I18 Q19 G25 C27 V29 I60 L92M2-L21 HydrophobicContact CB-CD2 4.37Å; M2-L21 HydrophobicContact CG-CD2 3.63Å; M2-L21 HydrophobicContact CG-CG 4.19Å; M2-L21 HydrophobicContact SD-CD2 3.42Å; M2-L21 WeakPolarHBondContact SD-CD2 3.43Å; M2-L21 HydrophobicContact SD-CG 4.48Å; I18-L21 HydrophobicContact CB-CD1 3.83Å; I18-L21 HydrophobicContact CB-CG 4.43Å; I18-L21 HydrophobicContact CG2-CD1 3.65Å; I18-L21 HydrophobicContact CG2-CD2 3.84Å; I18-L21 HydrophobicContact CG2-CG 3.73Å; I18-L21 WeakPolarHBondContact O-CD1 3.45Å; Q19-L21 PolarHBondContact O-N 3.32Å; L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 3.32Å; L21-C27 HydrophobicContact CB-CB 4.09Å; L21-C27 PolarHBondContact N-O 3.27Å; L21-C27 VanDerWaalsContact N-O 3.1Å; L21-C27 PolarHBondContact O-N 2.76Å; L21-V29 HydrophobicContact CD1-CB 3.75Å; L21-V29 HydrophobicContact CD1-CG2 3.45Å; L21-V29 VanDerWaalsContact CD1-CG2 3.45Å; L21-I60 HydrophobicContact CD1-CD1 4.12Å; L21-L92 HydrophobicContact CB-CD2 3.63Å
22G68.9Low88.7Confident38 Ų3842.2 Ų42.239%0.39225%0.251SS..THydrogen-bonded Turntrans84.8174.5175.400000114.1A24 G25G22-A24 VanDerWaalsContact C-N 3.27Å; G22-A24 PolarHBondContact O-N 3.24Å; G22-G25 PolarHBondContact O-N 3.12Å
23K67.1Low89.1Confident158 Ų15840.5 Ų40.569%0.68723%0.234SC*.THydrogen-bonded Turntrans-67.7-28.1-176.6-66.7176.8-175.6171.20112.8
24A71.2Confident89.1Confident72 Ų7240.7 Ų40.760%0.59524%0.235SC*.THydrogen-bonded Turntrans-92.1-19.7178.400000113.2G22G22-A24 VanDerWaalsContact C-N 3.27Å; G22-A24 PolarHBondContact O-N 3.24Å
25G74.6Confident89.1Confident29 Ų2940.5 Ų40.530%0.29924%0.235SC..SBendtrans74.924.717600000114.4N20 L21 G22N20-G25 WeakPolarHBondContact CA-O 3.44Å; L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 3.32Å; G22-G25 PolarHBondContact O-N 3.12Å
26D83Confident89.1Confident120 Ų12040.4 Ų40.464%0.64223%0.234SC*.  trans-109.7-13.7-175.156.8-13.7000113.4
27C85.9Confident89.1Confident24 Ų2440.3 Ų40.316%0.16223%0.233CC..EExtended strand (participates in β ladder)trans-82.6143.6-179.2-170.80000112.1N20 L21 L92N20-C27 PolarHBondContact N-O 3.4Å; L21-C27 HydrophobicContact CB-CB 4.09Å; L21-C27 PolarHBondContact N-O 3.27Å; L21-C27 VanDerWaalsContact N-O 3.1Å; L21-C27 PolarHBondContact O-N 2.76Å; C27-L92 HydrophobicContact CB-CD1 3.88Å; C27-L92 HydrophobicContact CB-CD2 3.61Å; C27-L92 HydrophobicContact CB-CG 4.41Å
28T92.4Very high89Confident66 Ų6636.5 Ų36.541%0.40522%0.217SC..EExtended strand (participates in β ladder)trans-126.8137.8174.1-60.70000109.6K17 I18 Q19K17-T28 HydrophobicContact CB-CG2 3.89Å; K17-T28 HydrophobicContact CD-CG2 3.94Å; K17-T28 HydrophobicContact CG-CG2 4.43Å; I18-T28 CarbonylContact O-C 3.52Å; I18-T28 VanDerWaalsContact O-CA 3.25Å; I18-T28 WeakPolarHBondContact O-CA 3.18Å; Q19-T28 HydrophobicContact CG-CG2 4.17Å
29V94.6Very high88.9Confident12 Ų1241.2 Ų41.27%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-123.7131.2177.11740000109.3K17 I18 L21 I60 L200K17-V29 CarbonylContact C-O 3.57Å; K17-V29 VanDerWaalsContact CA-O 3.3Å; K17-V29 WeakPolarHBondContact CA-O 3.42Å; I18-V29 PolarHBondContact N-O 3.3Å; I18-V29 PolarHBondContact O-N 2.97Å; L21-V29 HydrophobicContact CD1-CB 3.75Å; L21-V29 HydrophobicContact CD1-CG2 3.45Å; L21-V29 VanDerWaalsContact CD1-CG2 3.45Å; V29-I60 HydrophobicContact CG2-CD1 3.72Å; V29-I60 HydrophobicContact CG2-CG1 3.76Å; V29-L200 HydrophobicContact CG1-CD2 4.01Å
30D97.4Very high88.9Confident56 Ų5641 Ų4130%0.29924%0.238SC..EExtended strand (participates in β ladder)trans-80.7144.5176.6-64.5-42000111.1K17K17-D30 VanDerWaalsContact CD-OD1 3.28Å; K17-D30 WeakPolarHBondContact CD-OD1 3.44Å; K17-D30 WeakPolarHBondContact CE-OD1 3.45Å; K17-D30 VanDerWaalsContact CG-OD1 3.26Å; K17-D30 WeakPolarHBondContact CG-OD1 3.23Å; K17-D30 IonicContact NZ-OD1 3.8Å; K17-D30 PolarHBondContact NZ-OD1 3.43Å; K17-D30 IonicContact NZ-OD2 3.05Å
31I97.9Very high89.1Confident0 Ų037.3 Ų37.30%022%0.218CC..EExtended strand (participates in β ladder)trans-126.1140.7174.958.4170.2000111.2L4 L6 L15 G16 I18 D199 L200L4-I31 HydrophobicContact CD1-CD1 3.82Å; L4-I31 HydrophobicContact CD2-CD1 4.46Å; L4-I31 HydrophobicContact CG-CD1 4.13Å; L6-I31 HydrophobicContact CD2-CD1 4.06Å; L15-I31 WeakPolarHBondContact CA-O 3.38Å; G16-I31 VanDerWaalsContact C-CG1 3.42Å; G16-I31 PolarHBondContact N-O 3.3Å; G16-I31 WeakPolarHBondContact O-CG1 3.44Å; G16-I31 PolarHBondContact O-N 3.41Å; I18-I31 HydrophobicContact CD1-CG2 3.83Å; I18-I31 HydrophobicContact CG1-CG2 4.01Å; I31-D199 HydrophobicContact CB-CB 4.12Å; I31-D199 HydrophobicContact CD1-CB 4.28Å; I31-D199 HydrophobicContact CG2-CB 3.95Å; I31-L200 HydrophobicContact CG2-CD2 4.07Å; I31-L200 HydrophobicContact CG2-CG 4.23Å
32P98.2Very high89.8Confident0 Ų038.4 Ų38.40%023%0.228CC..SBendcis-68.8147.6-4.130.7-36.8000112.6R14 I194 D199 I324 R325 L328R14-P32 WeakPolarHBondContact O-CD 3.45Å; P32-I194 HydrophobicContact CB-CD1 3.69Å; P32-I194 HydrophobicContact CB-CG1 3.84Å; P32-I194 HydrophobicContact CB-CG2 4.35Å; P32-I194 HydrophobicContact CG-CD1 3.91Å; P32-I194 HydrophobicContact CG-CG1 4.33Å; P32-I194 HydrophobicContact CG-CG2 4.11Å; P32-D199 CarbonylContact C-O 3.42Å; P32-D199 VanDerWaalsContact CA-O 3.24Å; P32-D199 WeakPolarHBondContact CA-O 3.34Å; P32-I324 HydrophobicContact CG-CG2 3.64Å; P32-R325 HydrophobicContact CG-CG 4.43Å; P32-R325 WeakPolarHBondContact O-CD 3.44Å; P32-R325 WeakPolarHBondContact O-CG 3.39Å; P32-R325 PolarHBondContact O-NH1 2.87Å; P32-L328 VanDerWaalsContact CD-CD1 3.43Å; P32-L328 HydrophobicContact CG-CD1 3.59Å
33G98Very high91.1Very high3 Ų336.9 Ų36.93%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-155.8173.8-173.700000112.7D199 L200 F201 F321G33-D199 PolarHBondContact N-O 3.48Å; G33-L200 VanDerWaalsContact O-CA 3.31Å; G33-L200 WeakPolarHBondContact O-CA 3.49Å; G33-F201 PolarHBondContact O-N 3.35Å; G33-F321 VanDerWaalsContact C-CE1 3.43Å; G33-F321 VanDerWaalsContact CA-CD1 3.46Å; G33-F321 WeakPolarHBondContact O-CE1 3.38Å
34C98.1Very high92.5Very high7 Ų730.3 Ų30.35%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-11816317264.90000111.3P58 F201 Y317 F321C34-P58 WeakPolarHBondContact O-CB 3.38Å; C34-P58 VanDerWaalsContact O-CG 3.25Å; C34-P58 WeakPolarHBondContact O-CG 3.21Å; C34-F201 CarbonylContact C-O 3.54Å; C34-F201 WeakPolarHBondContact CA-O 3.45Å; C34-F201 HydrophobicContact CB-CB 4.44Å; C34-F201 WeakPolarHBondContact CB-O 3.49Å; C34-Y317 HydrophobicContact CB-CE1 4.32Å; C34-F321 HydrophobicContact CB-CD2 4.02Å; C34-F321 HydrophobicContact CB-CE1 4.27Å; C34-F321 HydrophobicContact CB-CE2 3.68Å; C34-F321 HydrophobicContact CB-CG 4.46Å; C34-F321 HydrophobicContact CB-CZ 3.8Å
35L97.4Very high93.6Very high4 Ų430.9 Ų30.92%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-93.5145.6169.4-50.9177.9000108.9Y37 I60 Q62 Y94 L180 L200 F201 S203L35-Y37 PolarHBondContact O-N 3.14Å; L35-Y37 VanDerWaalsContact O-N 3.14Å; L35-I60 HydrophobicContact CD2-CB 3.88Å; L35-I60 HydrophobicContact CD2-CD1 4.42Å; L35-I60 HydrophobicContact CD2-CG2 3.93Å; L35-Q62 HydrophobicContact CB-CB 4.22Å; L35-Q62 HydrophobicContact CD1-CB 4.49Å; L35-Y94 HydrophobicContact CD1-CD1 3.37Å; L35-Y94 HydrophobicContact CD1-CE1 3.99Å; L35-Y94 HydrophobicContact CD1-CG 3.9Å; L35-L180 HydrophobicContact CD1-CD2 4.35Å; L35-L200 HydrophobicContact CD2-CD1 4.5Å; L35-L200 HydrophobicContact CD2-CD2 4.46Å; L35-F201 PolarHBondContact N-O 3.32Å; L35-S203 VanDerWaalsContact O-CB 3.24Å; L35-S203 WeakPolarHBondContact O-CB 3.49Å; L35-S203 PolarHBondContact O-N 2.87Å; L35-S203 PolarHBondContact O-OG 2.97Å
36L97.8Very high94.7Very high10 Ų1030.1 Ų30.15%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-67.6112.9173.3169.968.6000109.2T38 A43 L51 V57 P58 I60 A61 Q62 F314 F318L36-T38 HydrophobicContact CD2-CG2 4.32Å; L36-T38 HydrophobicContact CG-CG2 4.12Å; L36-T38 PolarHBondContact O-N 3.23Å; L36-A43 HydrophobicContact CD1-CB 4.48Å; L36-A43 HydrophobicContact CD2-CB 4.48Å; L36-L51 HydrophobicContact CD1-CD1 4.16Å; L36-L51 HydrophobicContact CD2-CD1 4.16Å; L36-L51 HydrophobicContact CD2-CD2 3.61Å; L36-L51 HydrophobicContact CD2-CG 4.48Å; L36-V57 HydrophobicContact CD2-CG1 4.16Å; L36-P58 HydrophobicContact CB-CB 4.42Å; L36-P58 HydrophobicContact CB-CG 4.41Å; L36-I60 PolarHBondContact N-O 2.87Å; L36-A61 HydrophobicContact CB-CB 4.26Å; L36-A61 HydrophobicContact CD2-CB 4.21Å; L36-A61 HydrophobicContact CG-CB 4.49Å; L36-A61 CarbonylContact O-C 3.48Å; L36-A61 WeakPolarHBondContact O-CA 3.27Å; L36-Q62 PolarHBondContact O-N 2.84Å; L36-F314 HydrophobicContact CD1-CD2 4.45Å; L36-F314 HydrophobicContact CD1-CE1 4.29Å; L36-F314 HydrophobicContact CD1-CE2 4.06Å; L36-F314 HydrophobicContact CD1-CZ 3.97Å; L36-F318 HydrophobicContact CD1-CZ 3.92Å
37Y97.5Very high95.4Very high0 Ų028.4 Ų28.40%016%0.158CC..EExtended strand (participates in β ladder)trans-65.8121.8177.8172.9-100.1000111.8L35 R39 P44 D99 P100 V101 S203 F204 Y207L35-Y37 PolarHBondContact O-N 3.14Å; L35-Y37 VanDerWaalsContact O-N 3.14Å; Y37-R39 HydrophobicContact CE1-CG 4.46Å; Y37-P44 HydrophobicContact CD1-CG 4.12Å; Y37-P44 HydrophobicContact CE1-CG 4.07Å; Y37-P44 WeakPolarHBondContact O-CD 3.37Å; Y37-D99 PolarHBondContact OH-OD1 3.24Å; Y37-P100 HydrophobicContact CD2-CG 4.4Å; Y37-P100 HydrophobicContact CE2-CG 4.05Å; Y37-V101 HydrophobicContact CE2-CG2 4.32Å; Y37-V101 VanDerWaalsContact OH-CG2 3.31Å; Y37-V101 WeakPolarHBondContact OH-CG2 3.38Å; Y37-S203 WeakPolarHBondContact CB-O 3.44Å; Y37-S203 WeakPolarHBondContact CB-OG 3.17Å; Y37-S203 PolarHBondContact N-OG 3.24Å; Y37-F204 HydrophobicContact CD1-CB 4.44Å; Y37-F204 HydrophobicContact CD2-CB 3.62Å; Y37-F204 HydrophobicContact CE2-CB 3.78Å; Y37-F204 HydrophobicContact CG-CB 3.96Å; Y37-Y207 HydrophobicContact CD1-CD1 4.2Å; Y37-Y207 AromaticContact CD1-CG 3.97Å; Y37-Y207 HydrophobicContact CD1-CG 3.97Å; Y37-Y207 AromaticContact CE1-CD1 3.34Å; Y37-Y207 HydrophobicContact CE1-CD1 3.34Å; Y37-Y207 HydrophobicContact CE1-CD2 4.16Å; Y37-Y207 AromaticContact CE1-CE1 3.93Å; Y37-Y207 HydrophobicContact CE1-CE1 3.93Å; Y37-Y207 AromaticContact CE1-CG 3.48Å; Y37-Y207 HydrophobicContact CE1-CG 3.48Å; Y37-Y207 VanDerWaalsContact CE1-CG 3.48Å; Y37-Y207 AromaticContact CZ-CD1 3.87Å
38T96.3Very high95.8Very high0 Ų029.7 Ų29.70%016%0.161CC..  trans-141.5159167.288.50000109L36 G41 S42 A61 Q62L36-T38 HydrophobicContact CD2-CG2 4.32Å; L36-T38 HydrophobicContact CG-CG2 4.12Å; L36-T38 PolarHBondContact O-N 3.23Å; T38-G41 WeakPolarHBondContact OG1-CA 3.49Å; T38-G41 PolarHBondContact OG1-N 3.31Å; T38-S42 WeakPolarHBondContact CB-O 3.14Å; T38-A61 HydrophobicContact CG2-CB 4.29Å; T38-Q62 CarbonylContact C-O 3.49Å; T38-Q62 WeakPolarHBondContact CA-O 3.18Å; T38-Q62 VanDerWaalsContact CB-O 3.28Å; T38-Q62 WeakPolarHBondContact CB-O 3.26Å; T38-Q62 PolarHBondContact N-O 3.01Å; T38-Q62 VanDerWaalsContact N-O 3.13Å; T38-Q62 VanDerWaalsContact O-O 3.06Å; T38-Q62 PolarHBondContact OG1-O 3.35Å
39R90.6Very high96Very high102 Ų10233.7 Ų33.739%0.38518%0.175SC..SBendtrans-91.3-57.3173.7-57.7175.973-171.7-7.4109.3Y37 T64 S67 D99Y37-R39 HydrophobicContact CE1-CG 4.46Å; R39-T64 PolarHBondContact O-N 3.07Å; R39-T64 PolarHBondContact O-OG1 2.7Å; R39-S67 PolarHBondContact O-OG 3.5Å; R39-D99 WeakPolarHBondContact CG-OD2 3.21Å; R39-D99 IonicContact CZ-OD2 2.74Å; R39-D99 IonicContact NE-OD2 3.15Å; R39-D99 PolarHBondContact NE-OD2 2.9Å; R39-D99 IonicContact NH2-OD2 3.63Å
40T92.3Very high96.1Very high64 Ų6434.6 Ų34.639%0.39318%0.181SC..SBendtrans-105.19.2-173.353.30000114.5L68T40-L68 HydrophobicContact CG2-CD2 4.31Å
41G91.5Very high96Very high1 Ų132.7 Ų32.71%0.0117%0.171CC..SBendtrans104.8-20.8-178.300000114.7T38 I86T38-G41 WeakPolarHBondContact OG1-CA 3.49Å; T38-G41 PolarHBondContact OG1-N 3.31Å; G41-I86 VanDerWaalsContact C-CD1 3.42Å; G41-I86 VanDerWaalsContact O-CD1 3.27Å; G41-I86 WeakPolarHBondContact O-CD1 3.45Å
42S95.4Very high95.9Very high41 Ų4142.6 Ų42.629%0.28721%0.208SC..SBendtrans-99.3135.2173.6-62.50000110.6T38T38-S42 WeakPolarHBondContact CB-O 3.14Å
43A96.2Very high95.8Very high6 Ų646.9 Ų46.95%0.0523%0.231CC..PPolyproline II helixtrans-59.7136.2178.600000111.1L36 H45 L46 L51 F314L36-A43 HydrophobicContact CD1-CB 4.48Å; L36-A43 HydrophobicContact CD2-CB 4.48Å; A43-H45 PolarHBondContact O-N 3.43Å; A43-L46 HydrophobicContact CB-CB 4.11Å; A43-L46 HydrophobicContact CB-CD1 4.27Å; A43-L46 PolarHBondContact O-N 2.86Å; A43-L51 HydrophobicContact CB-CD1 4.19Å; A43-L51 HydrophobicContact CB-CD2 4.16Å; A43-F314 HydrophobicContact CB-CE2 4.4Å
44P95.5Very high95.8Very high20 Ų2047.1 Ų47.113%0.1323%0.231CC..THydrogen-bonded Turntrans-54.5137.5179.8-23.132.4000110.9Y37 L46 Y207 M310Y37-P44 HydrophobicContact CD1-CG 4.12Å; Y37-P44 HydrophobicContact CE1-CG 4.07Å; Y37-P44 WeakPolarHBondContact O-CD 3.37Å; P44-L46 WeakPolarHBondContact O-CG 3.47Å; P44-L46 PolarHBondContact O-N 3.25Å; P44-Y207 HydrophobicContact CB-CD2 3.74Å; P44-Y207 HydrophobicContact CB-CE2 3.83Å; P44-Y207 HydrophobicContact CG-CD2 3.76Å; P44-Y207 HydrophobicContact CG-CE2 4.08Å; P44-Y207 HydrophobicContact CG-CG 4.43Å; P44-M310 HydrophobicContact CB-SD 4.45Å; P44-M310 WeakPolarHBondContact O-CG 3.36Å
45H96.3Very high95.7Very high84 Ų8451.7 Ų51.739%0.38925%0.252SS..THydrogen-bonded Turntrans62.6-5.6177.9-48.3-48.6000116.7A43 E211 V307 M310A43-H45 PolarHBondContact O-N 3.43Å; H45-E211 IonicContact CD2-OE1 2.71Å; H45-E211 IonicContact CE1-OE1 3.61Å; H45-E211 IonicContact NE2-OE1 2.86Å; H45-E211 PolarHBondContact NE2-OE1 2.74Å; H45-V307 HydrophobicContact CB-CG2 4.22Å; H45-M310 HydrophobicContact CB-CB 4.34Å
46L97.3Very high95.5Very high13 Ų1353.8 Ų53.87%0.06828%0.275CS..  trans-117.2130.4-168.4-59.3177.2000111.7A43 P44 T50 L51 I54 V307 M310 M311 F314A43-L46 HydrophobicContact CB-CB 4.11Å; A43-L46 HydrophobicContact CB-CD1 4.27Å; A43-L46 PolarHBondContact O-N 2.86Å; P44-L46 WeakPolarHBondContact O-CG 3.47Å; P44-L46 PolarHBondContact O-N 3.25Å; L46-T50 HydrophobicContact CD2-CG2 3.75Å; L46-L51 HydrophobicContact CD1-CD1 4.22Å; L46-I54 HydrophobicContact CD1-CD1 3.52Å; L46-V307 HydrophobicContact CD2-CG1 4.13Å; L46-M310 HydrophobicContact CD1-CG 4.01Å; L46-M310 HydrophobicContact CD2-CB 4.45Å; L46-M310 HydrophobicContact CG-CB 4.48Å; L46-M310 HydrophobicContact CG-CG 4.14Å; L46-M311 HydrophobicContact CD2-CG 3.52Å; L46-F314 HydrophobicContact CD1-CD2 3.8Å; L46-F314 HydrophobicContact CD1-CE2 4.03Å
47T97.3Very high95.4Very high84 Ų8455.6 Ų55.652%0.51529%0.286SS..  trans-70.4159.8164.177.30000110.1Q49 T50 L51T47-Q49 PolarHBondContact O-N 3.18Å; T47-Q49 PolarHBondContact OG1-N 2.94Å; T47-T50 PolarHBondContact O-N 3.42Å; T47-T50 VanDerWaalsContact O-N 3.09Å; T47-T50 PolarHBondContact OG1-N 3.34Å; T47-T50 PolarHBondContact OG1-OG1 2.97Å; T47-L51 WeakPolarHBondContact O-CB 3.04Å; T47-L51 PolarHBondContact O-N 2.9Å
48H94.9Very high95.3Very high51 Ų5156.8 Ų56.824%0.23629%0.294CS..Hα-helixtrans-59.1-32.6175.8-57.5-27.9000112.7R52 I86 M88H48-R52 WeakPolarHBondContact O-CG 3.42Å; H48-R52 PolarHBondContact O-N 2.88Å; H48-I86 PolarHBondContact NE2-O 2.94Å; H48-M88 HydrophobicContact CB-SD 4.29Å; H48-M88 WeakPolarHBondContact CE1-CE 3.32Å; H48-M88 VanDerWaalsContact CE1-SD 3.58Å; H48-M88 PolarHBondContact ND1-SD 3.26Å; H48-M88 VanDerWaalsContact ND1-SD 3.42Å
49Q95.6Very high95Very high149 Ų14958.7 Ų58.770%0.69631%0.313SS*.Hα-helixtrans-71-43.6175.7-175.3174.4-2.500111.3T47 L51 R52T47-Q49 PolarHBondContact O-N 3.18Å; T47-Q49 PolarHBondContact OG1-N 2.94Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 3.43Å; Q49-R52 PolarHBondContact O-N 3.41Å
50T96.5Very high95.2Very high31 Ų3154.7 Ų54.719%0.1930%0.3CS..Hα-helixtrans-62.8-41.3176.8-49.70000111.4L46 T47 R52 N53 M311L46-T50 HydrophobicContact CD2-CG2 3.75Å; T47-T50 PolarHBondContact O-N 3.42Å; T47-T50 VanDerWaalsContact O-N 3.09Å; T47-T50 PolarHBondContact OG1-N 3.34Å; T47-T50 PolarHBondContact OG1-OG1 2.97Å; T50-R52 VanDerWaalsContact C-N 3.3Å; T50-R52 PolarHBondContact O-N 3.48Å; T50-N53 WeakPolarHBondContact O-CB 3.37Å; T50-N53 PolarHBondContact O-N 3.3Å; T50-M311 HydrophobicContact CG2-CE 3.63Å; T50-M311 HydrophobicContact CG2-CG 3.98Å; T50-M311 HydrophobicContact CG2-SD 3.46Å; T50-M311 WeakPolarHBondContact CG2-SD 3.39Å
51L96.4Very high95.3Very high16 Ų1652.1 Ų52.18%0.08428%0.284CS..Hα-helixtrans-60.3-38.3177.2179.564000112L36 A43 L46 T47 Q49 N53 I54 V57L36-L51 HydrophobicContact CD1-CD1 4.16Å; L36-L51 HydrophobicContact CD2-CD1 4.16Å; L36-L51 HydrophobicContact CD2-CD2 3.61Å; L36-L51 HydrophobicContact CD2-CG 4.48Å; A43-L51 HydrophobicContact CB-CD1 4.19Å; A43-L51 HydrophobicContact CB-CD2 4.16Å; L46-L51 HydrophobicContact CD1-CD1 4.22Å; T47-L51 WeakPolarHBondContact O-CB 3.04Å; T47-L51 PolarHBondContact O-N 2.9Å; Q49-L51 VanDerWaalsContact C-N 3.33Å; Q49-L51 PolarHBondContact O-N 3.43Å; L51-N53 PolarHBondContact O-N 2.91Å; L51-I54 HydrophobicContact CD1-CD1 4.21Å; L51-I54 WeakPolarHBondContact O-CB 3.32Å; L51-I54 PolarHBondContact O-N 3.27Å; L51-I54 VanDerWaalsContact O-N 3.07Å; L51-V57 HydrophobicContact CD1-CG1 4.11Å; L51-V57 HydrophobicContact CD1-CG2 3.94Å; L51-V57 HydrophobicContact CG-CG1 4.34Å; L51-V57 HydrophobicContact CG-CG2 4.4Å
52R95.1Very high95.5Very high209 Ų20952 Ų5279%0.78928%0.284SS*.Hα-helixtrans-65.9-18.4176.1-72.3175.4-171.8-176.92.7113.9H48 Q49 T50 I54H48-R52 WeakPolarHBondContact O-CG 3.42Å; H48-R52 PolarHBondContact O-N 2.88Å; Q49-R52 PolarHBondContact O-N 3.41Å; T50-R52 VanDerWaalsContact C-N 3.3Å; T50-R52 PolarHBondContact O-N 3.48Å; R52-I54 VanDerWaalsContact C-N 3.26Å
53N96.2Very high95.4Very high89 Ų8950.3 Ų50.348%0.47627%0.271SS..THydrogen-bonded Turntrans-81.9-7.6175.5-61.3-21.3000112.5T50 L51 M311T50-N53 WeakPolarHBondContact O-CB 3.37Å; T50-N53 PolarHBondContact O-N 3.3Å; L51-N53 PolarHBondContact O-N 2.91Å; N53-M311 HydrophobicContact CB-CE 4.32Å
54I97.2Very high95Very high8 Ų850 Ų504%0.04127%0.269CS..SBendtrans-86.3131.8176.5-61.7176.4000108.8L46 L51 R52 V57 M311 F314 E315 F318L46-I54 HydrophobicContact CD1-CD1 3.52Å; L51-I54 HydrophobicContact CD1-CD1 4.21Å; L51-I54 WeakPolarHBondContact O-CB 3.32Å; L51-I54 PolarHBondContact O-N 3.27Å; L51-I54 VanDerWaalsContact O-N 3.07Å; R52-I54 VanDerWaalsContact C-N 3.26Å; I54-V57 HydrophobicContact CB-CG2 3.79Å; I54-V57 HydrophobicContact CG2-CG2 3.87Å; I54-V57 WeakPolarHBondContact O-CG2 3.26Å; I54-M311 HydrophobicContact CD1-CB 4.35Å; I54-M311 HydrophobicContact CD1-CG 4.29Å; I54-M311 HydrophobicContact CG1-CE 4.45Å; I54-F314 HydrophobicContact CD1-CB 4.21Å; I54-F314 HydrophobicContact CD1-CD2 4.34Å; I54-F314 HydrophobicContact CG2-CB 4.33Å; I54-E315 HydrophobicContact CG2-CB 3.95Å; I54-E315 HydrophobicContact CG2-CG 4.46Å; I54-F318 HydrophobicContact CG2-CD2 4.03Å; I54-F318 HydrophobicContact CG2-CE2 4.14Å
55H95.7Very high94.6Very high103 Ų10352.6 Ų52.648%0.47728%0.281SS..THydrogen-bonded Turntrans-76.9143.6177.3-57.687.1000111.2V57 E315H55-V57 VanDerWaalsContact C-N 3.35Å; H55-V57 PolarHBondContact O-N 2.91Å; H55-E315 HydrophobicContact CB-CG 4.26Å; H55-E315 IonicContact CE1-OE1 3.44Å; H55-E315 IonicContact CG-OE1 3.35Å; H55-E315 IonicContact CG-OE2 3.54Å; H55-E315 PolarHBondContact N-OE2 3.37Å; H55-E315 IonicContact ND1-OE1 3.87Å; H55-E315 PolarHBondContact ND1-OE1 3.41Å; H55-E315 IonicContact ND1-OE2 2.7Å; H55-E315 PolarHBondContact ND1-OE2 2.92Å
56G93.6Very high93.8Very high49 Ų4950.8 Ų50.851%0.50528%0.278SS..THydrogen-bonded Turntrans73.717.4171.800000115.9F318G56-F318 WeakPolarHBondContact O-CB 3.19Å
57V96.3Very high93.3Very high48 Ų4851.1 Ų51.129%0.29128%0.282SS..  trans-54.6128.9177.5178.50000110.8L36 L51 I54 H55 F318L36-V57 HydrophobicContact CD2-CG1 4.16Å; L51-V57 HydrophobicContact CD1-CG1 4.11Å; L51-V57 HydrophobicContact CD1-CG2 3.94Å; L51-V57 HydrophobicContact CG-CG1 4.34Å; L51-V57 HydrophobicContact CG-CG2 4.4Å; I54-V57 HydrophobicContact CB-CG2 3.79Å; I54-V57 HydrophobicContact CG2-CG2 3.87Å; I54-V57 WeakPolarHBondContact O-CG2 3.26Å; H55-V57 VanDerWaalsContact C-N 3.35Å; H55-V57 PolarHBondContact O-N 2.91Å; V57-F318 HydrophobicContact CB-CE2 4.4Å; V57-F318 HydrophobicContact CG2-CD2 4.39Å; V57-F318 HydrophobicContact CG2-CE2 4.06Å
58P94.9Very high92.9Very high24 Ų2448.2 Ų48.216%0.15626%0.263CS..  trans-58.6145.6178-28.736000114.4C34 L36 I60 F318C34-P58 WeakPolarHBondContact O-CB 3.38Å; C34-P58 VanDerWaalsContact O-CG 3.25Å; C34-P58 WeakPolarHBondContact O-CG 3.21Å; L36-P58 HydrophobicContact CB-CB 4.42Å; L36-P58 HydrophobicContact CB-CG 4.41Å; P58-I60 PolarHBondContact O-N 3.47Å; P58-F318 VanDerWaalsContact CD-CZ 3.48Å; P58-F318 HydrophobicContact CG-CD1 4.09Å; P58-F318 HydrophobicContact CG-CE1 3.8Å; P58-F318 HydrophobicContact CG-CZ 4.2Å
59G91.1Very high92.6Very high40 Ų4048.3 Ų48.341%0.41227%0.273SS..SBendtrans-71.4-9.9178.400000115.3
60I93.8Very high92.2Very high19 Ų1949.3 Ų49.310%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-125.3129.4176.2-59.9170.6000108.7L21 V29 L35 L36 P58 L92L21-I60 HydrophobicContact CD1-CD1 4.12Å; V29-I60 HydrophobicContact CG2-CD1 3.72Å; V29-I60 HydrophobicContact CG2-CG1 3.76Å; L35-I60 HydrophobicContact CD2-CB 3.88Å; L35-I60 HydrophobicContact CD2-CD1 4.42Å; L35-I60 HydrophobicContact CD2-CG2 3.93Å; L36-I60 PolarHBondContact N-O 2.87Å; P58-I60 PolarHBondContact O-N 3.47Å; I60-L92 HydrophobicContact CG1-CB 4.09Å; I60-L92 HydrophobicContact CG1-CD2 4.15Å
61A95.4Very high91.9Very high9 Ų952.4 Ų52.47%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-93.9133.5169.700000111.1L36 T38 L92 F93 Y94L36-A61 HydrophobicContact CB-CB 4.26Å; L36-A61 HydrophobicContact CD2-CB 4.21Å; L36-A61 HydrophobicContact CG-CB 4.49Å; L36-A61 CarbonylContact O-C 3.48Å; L36-A61 WeakPolarHBondContact O-CA 3.27Å; T38-A61 HydrophobicContact CG2-CB 4.29Å; A61-L92 PolarHBondContact N-O 2.83Å; A61-F93 HydrophobicContact CB-CD1 3.9Å; A61-F93 HydrophobicContact CB-CE1 3.98Å; A61-F93 CarbonylContact O-C 3.59Å; A61-F93 VanDerWaalsContact O-CA 3.25Å; A61-F93 WeakPolarHBondContact O-CA 3.48Å; A61-Y94 PolarHBondContact O-N 3.37Å
62Q94.9Very high91.6Very high0 Ų057.7 Ų57.70%031%0.313CS..EExtended strand (participates in β ladder)trans-76.9138.5165.4175.3179.39.700109.1L35 L36 T38 Y94 S96 E202L35-Q62 HydrophobicContact CB-CB 4.22Å; L35-Q62 HydrophobicContact CD1-CB 4.49Å; L36-Q62 PolarHBondContact O-N 2.84Å; T38-Q62 CarbonylContact C-O 3.49Å; T38-Q62 WeakPolarHBondContact CA-O 3.18Å; T38-Q62 VanDerWaalsContact CB-O 3.28Å; T38-Q62 WeakPolarHBondContact CB-O 3.26Å; T38-Q62 PolarHBondContact N-O 3.01Å; T38-Q62 VanDerWaalsContact N-O 3.13Å; T38-Q62 VanDerWaalsContact O-O 3.06Å; T38-Q62 PolarHBondContact OG1-O 3.35Å; Q62-Y94 CarbonylContact C-O 3.56Å; Q62-Y94 WeakPolarHBondContact CA-O 3.22Å; Q62-Y94 HydrophobicContact CB-CD1 4.38Å; Q62-Y94 HydrophobicContact CG-CD1 4.21Å; Q62-S96 PolarHBondContact NE2-OG 2.8Å; Q62-E202 PolarHBondContact NE2-OE1 3.29Å
63L92.6Very high91.4Very high4 Ų455.7 Ų55.72%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-134.4164.2161.552.876.3000108.8L68 V82 F93 Y94 C95 S96L63-L68 HydrophobicContact CD1-CD1 3.69Å; L63-L68 HydrophobicContact CD2-CD1 4.26Å; L63-L68 HydrophobicContact CG-CD1 4.41Å; L63-V82 HydrophobicContact CD2-CB 4.46Å; L63-V82 HydrophobicContact CD2-CG1 3.61Å; L63-V82 HydrophobicContact CD2-CG2 4.08Å; L63-F93 HydrophobicContact CD2-CB 3.81Å; L63-F93 HydrophobicContact CD2-CD1 3.42Å; L63-F93 VanDerWaalsContact CD2-CD1 3.42Å; L63-F93 HydrophobicContact CD2-CE1 4.15Å; L63-F93 HydrophobicContact CD2-CG 3.67Å; L63-F93 HydrophobicContact CG-CB 4.18Å; L63-F93 HydrophobicContact CG-CD1 4.15Å; L63-F93 HydrophobicContact CG-CG 4.46Å; L63-Y94 PolarHBondContact N-O 3.45Å; L63-C95 HydrophobicContact CD1-CB 3.57Å; L63-C95 WeakPolarHBondContact CD1-SG 3.25Å; L63-C95 WeakPolarHBondContact O-CA 3.36Å; L63-S96 PolarHBondContact O-N 3.37Å; L63-S96 PolarHBondContact O-OG 2.67Å
64T88.7Confident91.3Very high0 Ų055.3 Ų55.30%031%0.314CS..EExtended strand (participates in β ladder)trans-123.1132.6-16670.80000110.5R39 S66 S67 L68 D99R39-T64 PolarHBondContact O-N 3.07Å; R39-T64 PolarHBondContact O-OG1 2.7Å; T64-S66 PolarHBondContact O-N 3.33Å; T64-S67 PolarHBondContact O-N 3.32Å; T64-S67 PolarHBondContact O-OG 3.11Å; T64-S67 VanDerWaalsContact O-OG 3.09Å; T64-S67 PolarHBondContact OG1-OG 3.32Å; T64-L68 PolarHBondContact O-N 3.37Å; T64-D99 VanDerWaalsContact CG2-CA 3.46Å; T64-D99 HydrophobicContact CG2-CB 3.76Å
65L87.1Confident91Very high75 Ų7556.5 Ų56.539%0.39332%0.32SS..Hα-helixtrans-63.1-30.9174.9-170.162.6000111.1S67 L68 A69 S96 L97L65-S67 PolarHBondContact O-N 3.23Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L65-A69 HydrophobicContact CD1-CB 4.43Å; L65-A69 HydrophobicContact CG-CB 4.36Å; L65-A69 WeakPolarHBondContact O-CB 3.33Å; L65-A69 PolarHBondContact O-N 3.09Å; L65-S96 PolarHBondContact N-O 2.83Å; L65-L97 WeakPolarHBondContact CB-O 3.39Å; L65-L97 HydrophobicContact CD2-CD1 3.98Å
66S79.9Confident90.7Very high46 Ų4653.9 Ų53.932%0.32232%0.316SS..Hα-helixtrans-49-40.4172.9-630000113.7T64 L97 H98 D99T64-S66 PolarHBondContact O-N 3.33Å; S66-L97 PolarHBondContact N-O 3.19Å; S66-H98 WeakPolarHBondContact OG-CA 3.44Å; S66-D99 PolarHBondContact OG-N 2.71Å
67S86.5Confident90.7Very high20 Ų2057.9 Ų57.914%0.1432%0.322CS..Hα-helixtrans-89.8-26.7-179.269.10000113.5R39 T64 L65 H71R39-S67 PolarHBondContact O-OG 3.5Å; T64-S67 PolarHBondContact O-N 3.32Å; T64-S67 PolarHBondContact O-OG 3.11Å; T64-S67 VanDerWaalsContact O-OG 3.09Å; T64-S67 PolarHBondContact OG1-OG 3.32Å; L65-S67 PolarHBondContact O-N 3.23Å; S67-H71 PolarHBondContact O-ND1 2.78Å; S67-H71 VanDerWaalsContact O-ND1 3.07Å
68L89.1Confident90.6Very high22 Ų2259.3 Ų59.312%0.11532%0.322CS..Hα-helixtrans-92.5-21.3-175.3-64.8-175.7000114T40 L63 T64 L65 E70 H71 H72 V82T40-L68 HydrophobicContact CG2-CD2 4.31Å; L63-L68 HydrophobicContact CD1-CD1 3.69Å; L63-L68 HydrophobicContact CD2-CD1 4.26Å; L63-L68 HydrophobicContact CG-CD1 4.41Å; T64-L68 PolarHBondContact O-N 3.37Å; L65-L68 PolarHBondContact O-N 3.18Å; L65-L68 VanDerWaalsContact O-N 3.15Å; L68-E70 VanDerWaalsContact C-N 3.31Å; L68-E70 PolarHBondContact O-N 2.66Å; L68-H71 CarbonylContact O-C 3.54Å; L68-H71 WeakPolarHBondContact O-CA 3.18Å; L68-H71 PolarHBondContact O-N 3.15Å; L68-H72 PolarHBondContact O-N 2.62Å; L68-V82 HydrophobicContact CD1-CG2 4.25Å
69A87.7Confident90.4Very high54 Ų5465.4 Ų65.445%0.44635%0.346SS..G310 helixtrans-58.9-41.7-175.200000112.4L65 H71 H72L65-A69 HydrophobicContact CD1-CB 4.43Å; L65-A69 HydrophobicContact CG-CB 4.36Å; L65-A69 WeakPolarHBondContact O-CB 3.33Å; L65-A69 PolarHBondContact O-N 3.09Å; A69-H71 PolarHBondContact O-N 2.81Å; A69-H72 VanDerWaalsContact O-CB 3.28Å; A69-H72 WeakPolarHBondContact O-CB 3.46Å; A69-H72 PolarHBondContact O-N 3.36Å; A69-H72 VanDerWaalsContact O-N 3.16Å
70E87.9Confident90.2Very high170 Ų17070.5 Ų70.579%0.79436%0.357SS*.G310 helixtrans-63.4-23.6177.2-63.7-178.6171.200112.7L68L68-E70 VanDerWaalsContact C-N 3.31Å; L68-E70 PolarHBondContact O-N 2.66Å
71H90.3Very high89.9Confident96 Ų9671 Ų7144%0.44437%0.367SS..G310 helixtrans-99.214.1-178.6-55.592.5000112.6S67 L68 A69 E73 V74 L75S67-H71 PolarHBondContact O-ND1 2.78Å; S67-H71 VanDerWaalsContact O-ND1 3.07Å; L68-H71 CarbonylContact O-C 3.54Å; L68-H71 WeakPolarHBondContact O-CA 3.18Å; L68-H71 PolarHBondContact O-N 3.15Å; A69-H71 PolarHBondContact O-N 2.81Å; H71-E73 PolarHBondContact O-N 3.13Å; H71-V74 PolarHBondContact O-N 3.12Å; H71-L75 PolarHBondContact O-N 3.05Å; H71-L75 VanDerWaalsContact O-N 3.09Å
72H90Very high89.8Confident127 Ų12772 Ų7259%0.58837%0.372SS*.Hα-helixtrans-54.7-47.7-176.5171.169.8000112.6L68 A69 V74 L75 A76L68-H72 PolarHBondContact O-N 2.62Å; A69-H72 VanDerWaalsContact O-CB 3.28Å; A69-H72 WeakPolarHBondContact O-CB 3.46Å; A69-H72 PolarHBondContact O-N 3.36Å; A69-H72 VanDerWaalsContact O-N 3.16Å; H72-V74 VanDerWaalsContact C-N 3.32Å; H72-V74 PolarHBondContact O-N 2.86Å; H72-L75 PolarHBondContact O-N 3.36Å; H72-A76 WeakPolarHBondContact O-CB 3.15Å; H72-A76 PolarHBondContact O-N 3.45Å
73E91.1Very high89.6Confident166 Ų16672.4 Ų72.478%0.77638%0.376SS*.Hα-helixtrans-61.1-42.1-177.3-63-170.6165.900111.8H71 A76 E77H71-E73 PolarHBondContact O-N 3.13Å; E73-A76 PolarHBondContact O-N 3.45Å; E73-E77 PolarHBondContact O-N 3.02Å
74V94.4Very high89.6Confident81 Ų8173.9 Ų73.949%0.49139%0.387SS..Hα-helixtrans-63.5-47.3178.2179.70000110.9H71 H72 A76 E77 Y78 F85H71-V74 PolarHBondContact O-N 3.12Å; H72-V74 VanDerWaalsContact C-N 3.32Å; H72-V74 PolarHBondContact O-N 2.86Å; V74-A76 VanDerWaalsContact C-N 3.35Å; V74-E77 PolarHBondContact O-N 3.2Å; V74-Y78 WeakPolarHBondContact O-CB 2.92Å; V74-Y78 PolarHBondContact O-N 2.85Å; V74-F85 HydrophobicContact CG1-CE2 4.09Å; V74-F85 HydrophobicContact CG1-CZ 4.29Å
75L91.1Very high89.9Confident34 Ų3478.9 Ų78.918%0.17841%0.409CS..Hα-helixtrans-68.5-35.1179.1-71.4173000112.2H71 H72 Y78 K79 F85H71-L75 PolarHBondContact O-N 3.05Å; H71-L75 VanDerWaalsContact O-N 3.09Å; H72-L75 PolarHBondContact O-N 3.36Å; L75-Y78 PolarHBondContact O-N 3.09Å; L75-K79 PolarHBondContact O-N 2.95Å; L75-K79 VanDerWaalsContact O-N 3.11Å; L75-F85 HydrophobicContact CD2-CB 4.02Å; L75-F85 HydrophobicContact CD2-CD1 4.07Å; L75-F85 HydrophobicContact CD2-CD2 4.08Å; L75-F85 HydrophobicContact CD2-CG 3.8Å
76A88.9Confident90.2Very high48 Ų4876.8 Ų76.840%0.39740%0.398SS..Hα-helixtrans-66.1-37.9175.900000111.6H72 E73 V74 K79H72-A76 WeakPolarHBondContact O-CB 3.15Å; H72-A76 PolarHBondContact O-N 3.45Å; E73-A76 PolarHBondContact O-N 3.45Å; V74-A76 VanDerWaalsContact C-N 3.35Å; A76-K79 WeakPolarHBondContact O-CG 3.24Å
77E93.5Very high90.7Very high132 Ų13277.3 Ų77.362%0.61741%0.41SS*.Hα-helixtrans-73.9-36.5174.6-168.950.9-129.900112.1E73 V74 K79E73-E77 PolarHBondContact O-N 3.02Å; V74-E77 PolarHBondContact O-N 3.2Å; E77-K79 WeakPolarHBondContact O-CD 3.37Å; E77-K79 WeakPolarHBondContact O-CE 2.85Å; E77-K79 WeakPolarHBondContact O-CG 3.14Å; E77-K79 PolarHBondContact O-N 3.18Å; E77-K79 IonicContact OE1-NZ 3.43Å; E77-K79 PolarHBondContact OE1-NZ 3.34Å; E77-K79 IonicContact OE2-NZ 3.8Å
78Y94.1Very high90.8Very high79 Ų7977.6 Ų77.631%0.3141%0.41SS..Hα-helixtrans-66.5-31.4178.8-177.4-110000114V74 L75 K80 S84 F85V74-Y78 WeakPolarHBondContact O-CB 2.92Å; V74-Y78 PolarHBondContact O-N 2.85Å; L75-Y78 PolarHBondContact O-N 3.09Å; Y78-K80 HydrophobicContact CD1-CB 4.03Å; Y78-K80 HydrophobicContact CE1-CB 3.57Å; Y78-K80 HydrophobicContact CE1-CD 4.38Å; Y78-K80 HydrophobicContact CE1-CG 4.35Å; Y78-K80 HydrophobicContact CE2-CD 4.47Å; Y78-K80 PolarHBondContact O-N 2.85Å; Y78-S84 PolarHBondContact OH-O 2.88Å; Y78-S84 PolarHBondContact OH-OG 3.46Å; Y78-F85 HydrophobicContact CD1-CB 3.99Å; Y78-F85 AromaticContact CD1-CD2 3.95Å; Y78-F85 HydrophobicContact CD1-CD2 3.95Å; Y78-F85 HydrophobicContact CD1-CG 4.47Å; Y78-F85 HydrophobicContact CD2-CD2 4.37Å; Y78-F85 HydrophobicContact CE1-CB 3.77Å; Y78-F85 HydrophobicContact CE1-CD2 4.21Å; Y78-F85 HydrophobicContact CG-CD2 4.03Å
79K89.8Confident90.7Very high151 Ų15180.5 Ų80.566%0.65743%0.43SS*.  trans63.5-15.1170.2-62.8161.2-170.7144.90117.4L75 A76 E77L75-K79 PolarHBondContact O-N 2.95Å; L75-K79 VanDerWaalsContact O-N 3.11Å; A76-K79 WeakPolarHBondContact O-CG 3.24Å; E77-K79 WeakPolarHBondContact O-CD 3.37Å; E77-K79 WeakPolarHBondContact O-CE 2.85Å; E77-K79 WeakPolarHBondContact O-CG 3.14Å; E77-K79 PolarHBondContact O-N 3.18Å; E77-K79 IonicContact OE1-NZ 3.43Å; E77-K79 PolarHBondContact OE1-NZ 3.34Å; E77-K79 IonicContact OE2-NZ 3.8Å
80K88.1Confident90.7Very high148 Ų14885.2 Ų85.264%0.64344%0.443SS*.SBendtrans-89.8-2.4-178.9-56.8175.3-177.3178.60114.1Y78Y78-K80 HydrophobicContact CD1-CB 4.03Å; Y78-K80 HydrophobicContact CE1-CB 3.57Å; Y78-K80 HydrophobicContact CE1-CD 4.38Å; Y78-K80 HydrophobicContact CE1-CG 4.35Å; Y78-K80 HydrophobicContact CE2-CD 4.47Å; Y78-K80 PolarHBondContact O-N 2.85Å
81G87.8Confident90.7Very high30 Ų3079.6 Ų79.631%0.30942%0.422SS..Hα-helixtrans80.6168.7178.600000114.4G83 S84 F85G81-G83 PolarHBondContact O-N 3.34Å; G81-S84 PolarHBondContact O-N 3.37Å; G81-F85 PolarHBondContact O-N 3.01Å
82V91.9Very high90.7Very high29 Ų2976.4 Ų76.418%0.17641%0.408CS..Hα-helixtrans-62.7-39.7-170.566.50000113.8L63 L68 S84 F85 I86 F93L63-V82 HydrophobicContact CD2-CB 4.46Å; L63-V82 HydrophobicContact CD2-CG1 3.61Å; L63-V82 HydrophobicContact CD2-CG2 4.08Å; L68-V82 HydrophobicContact CD1-CG2 4.25Å; V82-S84 PolarHBondContact O-N 3.19Å; V82-F85 WeakPolarHBondContact O-CA 3.36Å; V82-F85 WeakPolarHBondContact O-CB 3.43Å; V82-F85 PolarHBondContact O-N 3.27Å; V82-I86 HydrophobicContact CG2-CG2 4.37Å; V82-I86 WeakPolarHBondContact O-CG1 3.14Å; V82-I86 PolarHBondContact O-N 3.38Å; V82-F93 HydrophobicContact CG1-CD2 4.32Å
83G90.6Very high90.7Very high8 Ų873 Ų738%0.08239%0.392CS..Hα-helixtrans-58-48.2177.700000112.4G81 F85 I86 G87 M88 F93G81-G83 PolarHBondContact O-N 3.34Å; G83-F85 VanDerWaalsContact C-N 3.3Å; G83-F85 PolarHBondContact O-N 2.77Å; G83-I86 WeakPolarHBondContact O-CG1 3.48Å; G83-I86 PolarHBondContact O-N 3.42Å; G83-G87 PolarHBondContact O-N 2.9Å; G83-M88 VanDerWaalsContact C-C 3.5Å; G83-M88 CarbonylContact C-O 3.43Å; G83-M88 VanDerWaalsContact C-O 3.3Å; G83-M88 VanDerWaalsContact CA-O 3.29Å; G83-M88 WeakPolarHBondContact CA-O 3.46Å; G83-M88 CarbonylContact O-C 3.06Å; G83-M88 WeakPolarHBondContact O-CA 3.39Å; G83-M88 PolarHBondContact O-N 3.18Å; G83-F93 VanDerWaalsContact CA-CE2 3.47Å
84S92.7Very high90.7Very high35 Ų3566.6 Ų66.625%0.24536%0.361CS..Hα-helixtrans-65.2-35.7174.5-176.70000112Y78 G81 V82 I86 G87Y78-S84 PolarHBondContact OH-O 2.88Å; Y78-S84 PolarHBondContact OH-OG 3.46Å; G81-S84 PolarHBondContact O-N 3.37Å; V82-S84 PolarHBondContact O-N 3.19Å; S84-I86 VanDerWaalsContact C-N 3.34Å; S84-I86 PolarHBondContact O-N 3.48Å; S84-G87 PolarHBondContact O-N 3.31Å
85F94.9Very high90.5Very high106 Ų10666 Ų6647%0.46536%0.36SS..Hα-helixtrans-62.8-40.4-179.8-175.5-100.3000112V74 L75 Y78 G81 V82 G83 G87V74-F85 HydrophobicContact CG1-CE2 4.09Å; V74-F85 HydrophobicContact CG1-CZ 4.29Å; L75-F85 HydrophobicContact CD2-CB 4.02Å; L75-F85 HydrophobicContact CD2-CD1 4.07Å; L75-F85 HydrophobicContact CD2-CD2 4.08Å; L75-F85 HydrophobicContact CD2-CG 3.8Å; Y78-F85 HydrophobicContact CD1-CB 3.99Å; Y78-F85 AromaticContact CD1-CD2 3.95Å; Y78-F85 HydrophobicContact CD1-CD2 3.95Å; Y78-F85 HydrophobicContact CD1-CG 4.47Å; Y78-F85 HydrophobicContact CD2-CD2 4.37Å; Y78-F85 HydrophobicContact CE1-CB 3.77Å; Y78-F85 HydrophobicContact CE1-CD2 4.21Å; Y78-F85 HydrophobicContact CG-CD2 4.03Å; G81-F85 PolarHBondContact O-N 3.01Å; V82-F85 WeakPolarHBondContact O-CA 3.36Å; V82-F85 WeakPolarHBondContact O-CB 3.43Å; V82-F85 PolarHBondContact O-N 3.27Å; G83-F85 VanDerWaalsContact C-N 3.3Å; G83-F85 PolarHBondContact O-N 2.77Å; F85-G87 VanDerWaalsContact C-N 3.32Å
86I93.8Very high90.2Very high30 Ų3064.7 Ų64.715%0.15435%0.353CS..THydrogen-bonded Turntrans-88.87178.371.8179.6000113.6G41 H48 V82 G83 S84 M88 F93G41-I86 VanDerWaalsContact C-CD1 3.42Å; G41-I86 VanDerWaalsContact O-CD1 3.27Å; G41-I86 WeakPolarHBondContact O-CD1 3.45Å; H48-I86 PolarHBondContact NE2-O 2.94Å; V82-I86 HydrophobicContact CG2-CG2 4.37Å; V82-I86 WeakPolarHBondContact O-CG1 3.14Å; V82-I86 PolarHBondContact O-N 3.38Å; G83-I86 WeakPolarHBondContact O-CG1 3.48Å; G83-I86 PolarHBondContact O-N 3.42Å; S84-I86 VanDerWaalsContact C-N 3.34Å; S84-I86 PolarHBondContact O-N 3.48Å; I86-M88 HydrophobicContact CD1-CE 3.48Å; I86-M88 VanDerWaalsContact CD1-CE 3.48Å; I86-M88 HydrophobicContact CG1-CB 4.22Å; I86-M88 HydrophobicContact CG1-CE 4.12Å; I86-F93 HydrophobicContact CD1-CE1 4.03Å; I86-F93 HydrophobicContact CD1-CZ 3.73Å
87G91.1Very high89.8Confident57 Ų5765.6 Ų65.659%0.58835%0.351SS*.THydrogen-bonded Turntrans77.319.8179.800000115.1G83 S84 F85G83-G87 PolarHBondContact O-N 2.9Å; S84-G87 PolarHBondContact O-N 3.31Å; F85-G87 VanDerWaalsContact C-N 3.32Å
88M88.4Confident88.8Confident26 Ų2661.4 Ų61.413%0.12833%0.331CS..  trans-128.269.4175.8-63.4-163.7-65.900111.8H48 G83 I86 E90 S91 F93H48-M88 HydrophobicContact CB-SD 4.29Å; H48-M88 WeakPolarHBondContact CE1-CE 3.32Å; H48-M88 VanDerWaalsContact CE1-SD 3.58Å; H48-M88 PolarHBondContact ND1-SD 3.26Å; H48-M88 VanDerWaalsContact ND1-SD 3.42Å; G83-M88 VanDerWaalsContact C-C 3.5Å; G83-M88 CarbonylContact C-O 3.43Å; G83-M88 VanDerWaalsContact C-O 3.3Å; G83-M88 VanDerWaalsContact CA-O 3.29Å; G83-M88 WeakPolarHBondContact CA-O 3.46Å; G83-M88 CarbonylContact O-C 3.06Å; G83-M88 WeakPolarHBondContact O-CA 3.39Å; G83-M88 PolarHBondContact O-N 3.18Å; I86-M88 HydrophobicContact CD1-CE 3.48Å; I86-M88 VanDerWaalsContact CD1-CE 3.48Å; I86-M88 HydrophobicContact CG1-CB 4.22Å; I86-M88 HydrophobicContact CG1-CE 4.12Å; M88-E90 VanDerWaalsContact C-N 3.27Å; M88-E90 PolarHBondContact O-N 2.79Å; M88-S91 WeakPolarHBondContact CB-OG 3.48Å; M88-S91 PolarHBondContact O-N 3.28Å; M88-F93 HydrophobicContact CE-CZ 4.27Å
89P87.1Confident87.3Confident84 Ų8457.7 Ų57.755%0.54532%0.317SS..THydrogen-bonded Turntrans-64.9-28.7-17526-34.5000113.9
90E86.5Confident86Confident153 Ų15352.1 Ų52.172%0.71530%0.296SS*.THydrogen-bonded Turntrans-87.8-8.6-178.2-53.9-49.8138.500113.7M88M88-E90 VanDerWaalsContact C-N 3.27Å; M88-E90 PolarHBondContact O-N 2.79Å
91S88.9Confident84.6Confident51 Ų5147 Ų4736%0.35728%0.277SS..  trans-70.5143.5-180-71.10000111.8M88 F93M88-S91 WeakPolarHBondContact CB-OG 3.48Å; M88-S91 PolarHBondContact O-N 3.28Å; S91-F93 WeakPolarHBondContact O-CD2 3.42Å; S91-F93 WeakPolarHBondContact O-CE2 3.44Å
92L89.8Confident82.7Confident29 Ų2949 Ų4915%0.15228%0.283CS..EExtended strand (participates in β ladder)trans-90.4135.1173.6-84.669.2000110.5L21 C27 I60 A61L21-L92 HydrophobicContact CB-CD2 3.63Å; C27-L92 HydrophobicContact CB-CD1 3.88Å; C27-L92 HydrophobicContact CB-CD2 3.61Å; C27-L92 HydrophobicContact CB-CG 4.41Å; I60-L92 HydrophobicContact CG1-CB 4.09Å; I60-L92 HydrophobicContact CG1-CD2 4.15Å; A61-L92 PolarHBondContact N-O 2.83Å
93F90.7Very high80.3Confident55 Ų5552.9 Ų52.924%0.24131%0.309CS..EExtended strand (participates in β ladder)trans-123.2132.6179.9-60.9-78.1000111.7A61 L63 V82 G83 I86 M88 S91A61-F93 HydrophobicContact CB-CD1 3.9Å; A61-F93 HydrophobicContact CB-CE1 3.98Å; A61-F93 CarbonylContact O-C 3.59Å; A61-F93 VanDerWaalsContact O-CA 3.25Å; A61-F93 WeakPolarHBondContact O-CA 3.48Å; L63-F93 HydrophobicContact CD2-CB 3.81Å; L63-F93 HydrophobicContact CD2-CD1 3.42Å; L63-F93 VanDerWaalsContact CD2-CD1 3.42Å; L63-F93 HydrophobicContact CD2-CE1 4.15Å; L63-F93 HydrophobicContact CD2-CG 3.67Å; L63-F93 HydrophobicContact CG-CB 4.18Å; L63-F93 HydrophobicContact CG-CD1 4.15Å; L63-F93 HydrophobicContact CG-CG 4.46Å; V82-F93 HydrophobicContact CG1-CD2 4.32Å; G83-F93 VanDerWaalsContact CA-CE2 3.47Å; I86-F93 HydrophobicContact CD1-CE1 4.03Å; I86-F93 HydrophobicContact CD1-CZ 3.73Å; M88-F93 HydrophobicContact CE-CZ 4.27Å; S91-F93 WeakPolarHBondContact O-CD2 3.42Å; S91-F93 WeakPolarHBondContact O-CE2 3.44Å
94Y90.7Very high77.6Confident32 Ų3254.4 Ų54.413%0.12533%0.325CS..EExtended strand (participates in β ladder)trans-99.2122.7160.9165.9-108.1000107.9L35 A61 Q62 L63 I120 L180L35-Y94 HydrophobicContact CD1-CD1 3.37Å; L35-Y94 HydrophobicContact CD1-CE1 3.99Å; L35-Y94 HydrophobicContact CD1-CG 3.9Å; A61-Y94 PolarHBondContact O-N 3.37Å; Q62-Y94 CarbonylContact C-O 3.56Å; Q62-Y94 WeakPolarHBondContact CA-O 3.22Å; Q62-Y94 HydrophobicContact CB-CD1 4.38Å; Q62-Y94 HydrophobicContact CG-CD1 4.21Å; L63-Y94 PolarHBondContact N-O 3.45Å; Y94-I120 HydrophobicContact CE2-CG1 4.15Å; Y94-L180 HydrophobicContact CD2-CD2 4.16Å; Y94-L180 HydrophobicContact CE1-CD2 4.4Å; Y94-L180 HydrophobicContact CE2-CD2 3.9Å
95C90.2Very high74.6Confident69 Ų6958.8 Ų58.847%0.46635%0.353SS..EExtended strand (participates in β ladder)trans-97.7103.7177.2-170.80000109.2L63L63-C95 HydrophobicContact CD1-CB 3.57Å; L63-C95 WeakPolarHBondContact CD1-SG 3.25Å; L63-C95 WeakPolarHBondContact O-CA 3.36Å
96S84.1Confident71.6Confident6 Ų658 Ų584%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-75.6149.2169.462.20000109.5Q62 L63 L65 H98Q62-S96 PolarHBondContact NE2-OG 2.8Å; L63-S96 PolarHBondContact O-N 3.37Å; L63-S96 PolarHBondContact O-OG 2.67Å; L65-S96 PolarHBondContact N-O 2.83Å; S96-H98 VanDerWaalsContact C-N 3.29Å; S96-H98 WeakPolarHBondContact CB-O 3.48Å; S96-H98 PolarHBondContact OG-O 3.39Å
97L81.1Confident68.7Low68 Ų6859.1 Ų59.136%0.35638%0.384SS..SBendtrans-64.3-41.1175.9-178.264.3000110.8L65 S66 A106L65-L97 WeakPolarHBondContact CB-O 3.39Å; L65-L97 HydrophobicContact CD2-CD1 3.98Å; S66-L97 PolarHBondContact N-O 3.19Å; L97-A106 HydrophobicContact CD2-CB 3.75Å
98H73Confident66.1Low43 Ų4367.9 Ų67.920%0.19940%0.401CS..SBendtrans-117.9151.2-178.3-60.2-50.6000111.9S66 S96 P103 G104S66-H98 WeakPolarHBondContact OG-CA 3.44Å; S96-H98 VanDerWaalsContact C-N 3.29Å; S96-H98 WeakPolarHBondContact CB-O 3.48Å; S96-H98 PolarHBondContact OG-O 3.39Å; H98-P103 HydrophobicContact CB-CB 4.49Å; H98-G104 PolarHBondContact CE1-O 3.42Å; H98-G104 PolarHBondContact ND1-N 3.15Å; H98-G104 PolarHBondContact NE2-O 3.39Å
99D63.2Low63.8Low1 Ų171.8 Ų71.81%0.00543%0.427CS..BIsolated β-bridgetrans-72.6121.9159.7-172.2-22.7000107.3Y37 R39 T64 S66 V101 T102Y37-D99 PolarHBondContact OH-OD1 3.24Å; R39-D99 WeakPolarHBondContact CG-OD2 3.21Å; R39-D99 IonicContact CZ-OD2 2.74Å; R39-D99 IonicContact NE-OD2 3.15Å; R39-D99 PolarHBondContact NE-OD2 2.9Å; R39-D99 IonicContact NH2-OD2 3.63Å; T64-D99 VanDerWaalsContact CG2-CA 3.46Å; T64-D99 HydrophobicContact CG2-CB 3.76Å; S66-D99 PolarHBondContact OG-N 2.71Å; D99-V101 PolarHBondContact O-N 2.8Å; D99-V101 WeakPolarHBondContact OD1-CB 2.91Å; D99-V101 PolarHBondContact OD1-N 3.18Å; D99-T102 CarbonylContact O-C 3.3Å; D99-T102 WeakPolarHBondContact O-CA 3.47Å; D99-T102 PolarHBondContact O-N 3.2Å
100P60.8Low61.6Low34 Ų3474.9 Ų74.922%0.22144%0.444CS..THydrogen-bonded Turntrans-59.8-18.9179.525-34.7000112.4Y37 E202 F204Y37-P100 HydrophobicContact CD2-CG 4.4Å; Y37-P100 HydrophobicContact CE2-CG 4.05Å; P100-E202 VanDerWaalsContact CB-OE2 3.26Å; P100-E202 WeakPolarHBondContact CB-OE2 3.1Å; P100-E202 WeakPolarHBondContact CG-OE2 3.49Å; P100-F204 HydrophobicContact CB-CD1 3.68Å; P100-F204 HydrophobicContact CB-CE1 3.81Å; P100-F204 HydrophobicContact CB-CG 4.31Å; P100-F204 HydrophobicContact CG-CB 4.17Å; P100-F204 HydrophobicContact CG-CD1 3.52Å; P100-F204 HydrophobicContact CG-CE1 4.17Å; P100-F204 HydrophobicContact CG-CG 4.01Å
101V59Low59.9Low41 Ų4170.5 Ų70.525%0.24843%0.43CS..THydrogen-bonded Turntrans-79.4-22.3173.4-173.90000112.2Y37 D99 F204 Y207Y37-V101 HydrophobicContact CE2-CG2 4.32Å; Y37-V101 VanDerWaalsContact OH-CG2 3.31Å; Y37-V101 WeakPolarHBondContact OH-CG2 3.38Å; D99-V101 PolarHBondContact O-N 2.8Å; D99-V101 WeakPolarHBondContact OD1-CB 2.91Å; D99-V101 PolarHBondContact OD1-N 3.18Å; V101-F204 HydrophobicContact CG2-CB 4.4Å; V101-Y207 HydrophobicContact CG2-CD1 4.43Å; V101-Y207 HydrophobicContact CG2-CE1 4.41Å
102T48.4Very low58Low71 Ų7177.4 Ų77.444%0.43645%0.454SS..BIsolated β-bridgetrans-150100.6179.653.50000113.2D99D99-T102 CarbonylContact O-C 3.3Å; D99-T102 WeakPolarHBondContact O-CA 3.47Å; D99-T102 PolarHBondContact O-N 3.2Å
103P41.1Very low56.6Low111 Ų11182.3 Ų82.372%0.72149%0.485SS*.  trans-88.1158.9-177.832.8-33.5000115.3H98H98-P103 HydrophobicContact CB-CB 4.49Å
104G35.1Very low55.5Low40 Ų4083.6 Ų83.641%0.41249%0.494SS..  trans-148-168.717700000112.2H98H98-G104 PolarHBondContact CE1-O 3.42Å; H98-G104 PolarHBondContact ND1-N 3.15Å; H98-G104 PolarHBondContact NE2-O 3.39Å
105P29.3Very low54.3Low128 Ų12890.7 Ų90.783%0.83153%0.528SS*.  trans-91.9161.5-177.233.1-32000115
106A30.8Very low53.4Low88 Ų8894.9 Ų94.973%0.72754%0.539SS*.  trans-96162.9-163.700000117.9L97L97-A106 HydrophobicContact CD2-CB 3.75Å
107G32.7Very low53.1Low54 Ų5497.8 Ų97.856%0.55756%0.559SS**  trans-163.9169.717600000114.2
108Y37.2Very low53.2Low241 Ų24198.8 Ų98.895%0.94557%0.567SS**  trans-117.5151.2-174.6-71.5-90.7000113
109V40.6Very low53.9Low109 Ų109102.2 Ų102.266%0.66159%0.586SS**  trans-126133.2178.1178.40000111.4L114V109-L114 HydrophobicContact CG1-CD1 4.26Å
110T40.3Very low55.3Low148 Ų148104.1 Ų104.191%0.90860%0.596SS**  trans-125.3109.2165.346.70000109.7
111S50.4Low56.7Low61 Ų61102.9 Ų102.943%0.42759%0.589SS.*  trans-136.3136.4-178.6174.80000113V113 L114S111-V113 PolarHBondContact O-N 3.4Å; S111-V113 PolarHBondContact OG-N 3.14Å; S111-L114 PolarHBondContact O-N 3.49Å
112K49.7Very low58.4Low197 Ų197103.8 Ų103.886%0.85760%0.595SS**G310 helixtrans-69.6-15.6176.4-68.5-176.7179.8179.50113.7L114K112-L114 VanDerWaalsContact C-N 3.29Å
113V61.3Low60.7Low132 Ų132100.4 Ų100.480%0.857%0.574SS**G310 helixtrans-77.1-17.9-179.3-175.50000112S111 Q115S111-V113 PolarHBondContact O-N 3.4Å; S111-V113 PolarHBondContact OG-N 3.14Å; V113-Q115 PolarHBondContact O-N 3.35Å
114L65.9Low63.2Low82 Ų8299.2 Ų99.243%0.42956%0.559SS.*G310 helixtrans-92.121.4-168.4-62.3177.6000114.5V109 S111 K112 K116 S117V109-L114 HydrophobicContact CG1-CD1 4.26Å; S111-L114 PolarHBondContact O-N 3.49Å; K112-L114 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 2.7Å; L114-K116 VanDerWaalsContact O-N 3.09Å; L114-S117 WeakPolarHBondContact O-CB 3.35Å; L114-S117 PolarHBondContact O-N 3.39Å
115Q65.8Low65.7Low180 Ų18098.6 Ų98.684%0.84155%0.552SS**THydrogen-bonded Turntrans-58.8-26.9-174.3-69.7-177.2-9.200114.8V113V113-Q115 PolarHBondContact O-N 3.35Å
116K72.2Confident68.7Low158 Ų15894.3 Ų94.369%0.68753%0.532SS*.THydrogen-bonded Turntrans-99-1.2176.6-63.8-172.9178.5-173.70113.4L114L114-K116 PolarHBondContact O-N 2.7Å; L114-K116 VanDerWaalsContact O-N 3.09Å
117S77.9Confident71.6Confident67 Ų6794.7 Ų94.747%0.46952%0.521SS..  trans-88.6148.3177-58.60000109.9L114L114-S117 WeakPolarHBondContact O-CB 3.35Å; L114-S117 PolarHBondContact O-N 3.39Å
118V82.9Confident74.5Confident88 Ų8895.7 Ų95.753%0.53352%0.517SS..  trans-106.5130.2178.1179.10000108.3
119I88.3Confident77.4Confident115 Ų11586.9 Ų86.959%0.5948%0.484SS*.PPolyproline II helixtrans-88.2136.6173.3-167.2167.5000110V144 G145I119-V144 HydrophobicContact CG2-CB 4.43Å; I119-V144 HydrophobicContact CG2-CG1 4.16Å; I119-G145 PolarHBondContact O-N 3.34Å
120I90.9Very high80.1Confident41 Ų4188 Ų8821%0.2148%0.483CS..EExtended strand (participates in β ladder)trans-99.6125.6172.1-57.7-56.9000107.4Y94 L148 L180Y94-I120 HydrophobicContact CE2-CG1 4.15Å; I120-L148 HydrophobicContact CG2-CB 3.8Å; I120-L180 HydrophobicContact CD1-CD1 4.31Å; I120-L180 HydrophobicContact CG2-CD1 4.23Å
121G91.2Very high82.7Confident8 Ų884.5 Ų84.58%0.08246%0.456CS..EExtended strand (participates in β ladder)trans-78.9133.417700000110.5G146 F147 L148G121-G146 PolarHBondContact N-O 3Å; G121-F147 CarbonylContact O-C 3.09Å; G121-F147 VanDerWaalsContact O-CA 3.23Å; G121-F147 WeakPolarHBondContact O-CA 3.4Å; G121-L148 PolarHBondContact O-N 2.86Å
122V95.6Very high84.9Confident60 Ų6081.6 Ų81.636%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-93.4131.5-179.5-170.50000109.6E124 L148 D150V122-E124 HydrophobicContact CG1-CG 4.14Å; V122-L148 HydrophobicContact CG1-CD2 4.36Å; V122-L148 HydrophobicContact CG2-CB 4.35Å; V122-L148 HydrophobicContact CG2-CD2 4.2Å; V122-D150 HydrophobicContact CG1-CB 3.66Å
123I96Very high87.2Confident0 Ų073.7 Ų73.70%040%0.402CS..EExtended strand (participates in β ladder)trans-98.4120.5175.5-49.8-49.2000108.6R132 A136 T139 F147 L148 L149 D150 V169 L173I123-R132 PolarHBondContact O-NH1 3.16Å; I123-A136 HydrophobicContact CG2-CB 4.27Å; I123-T139 HydrophobicContact CD1-CG2 3.78Å; I123-F147 HydrophobicContact CD1-CB 4.47Å; I123-F147 HydrophobicContact CD1-CD1 3.87Å; I123-F147 HydrophobicContact CG1-CB 4.2Å; I123-F147 HydrophobicContact CG1-CD1 4.49Å; I123-L148 PolarHBondContact N-O 3.46Å; I123-L149 HydrophobicContact CB-CD2 4.24Å; I123-L149 HydrophobicContact CG1-CD2 4.13Å; I123-D150 PolarHBondContact O-N 2.68Å; I123-V169 HydrophobicContact CG2-CG1 3.83Å; I123-L173 HydrophobicContact CD1-CD2 4.19Å; I123-L173 HydrophobicContact CG1-CD1 4.45Å; I123-L173 HydrophobicContact CG1-CD2 4.41Å
124E92.5Very high88.9Confident87 Ų8773.9 Ų73.941%0.40739%0.389SS..  trans-121.9-169.7-175.3-68.2-69.3-174.300110.4V122 R132 S135V122-E124 HydrophobicContact CG1-CG 4.14Å; E124-R132 WeakPolarHBondContact O-CD 3.15Å; E124-S135 PolarHBondContact N-OG 3Å; E124-S135 WeakPolarHBondContact O-CB 3.45Å; E124-S135 PolarHBondContact O-OG 3.25Å
125G89.1Confident90.4Very high27 Ų2770.9 Ų70.928%0.27838%0.375SS..  trans121.53.5177.700000113.8V128G125-V128 PolarHBondContact O-N 3.49Å
126G90.7Very high91.9Very high38 Ų3862.3 Ų62.339%0.39234%0.335SS..THydrogen-bonded Turntrans58.8-140.5179.100000112.1V128 R132G126-V128 VanDerWaalsContact C-N 3.31Å; G126-R132 WeakPolarHBondContact O-CG 3.16Å; G126-R132 PolarHBondContact O-NE 3.27Å
127D91.9Very high93.1Very high96 Ų9660.3 Ų60.351%0.51332%0.323SS..THydrogen-bonded Turntrans-92.115.8178.6-62.9-52.6000112.8R162D127-R162 IonicContact OD1-CZ 2.67Å; D127-R162 IonicContact OD1-NE 3.65Å; D127-R162 PolarHBondContact OD1-NE 2.71Å; D127-R162 IonicContact OD1-NH2 3.92Å; D127-R162 PolarHBondContact OD1-NH2 2.89Å; D127-R162 IonicContact OD2-CZ 3.28Å; D127-R162 IonicContact OD2-NE 3.03Å; D127-R162 IonicContact OD2-NH2 3.65Å; D127-R162 PolarHBondContact OD2-NH2 2.96Å
128V95Very high93.9Very high75 Ų7560.1 Ų60.146%0.45531%0.314SS..  trans-97.9116.7179.6-1770000110.4G125 G126 E130 E131 R132G125-V128 PolarHBondContact O-N 3.49Å; G126-V128 VanDerWaalsContact C-N 3.31Å; V128-E130 PolarHBondContact O-N 3.37Å; V128-E131 HydrophobicContact CB-CB 4.13Å; V128-E131 HydrophobicContact CB-CG 4.19Å; V128-E131 HydrophobicContact CG1-CB 4.15Å; V128-E131 HydrophobicContact CG1-CG 3.83Å; V128-E131 PolarHBondContact O-N 3.32Å; V128-R132 WeakPolarHBondContact O-CB 3.38Å; V128-R132 WeakPolarHBondContact O-CG 3.3Å; V128-R132 PolarHBondContact O-N 2.88Å
129M96.6Very high94.4Very high55 Ų5557.1 Ų57.127%0.27130%0.296SS..Hα-helixtrans-59-50.8-173.5-179.161.87400112.8E131 R132 L133 L165M129-E131 VanDerWaalsContact C-N 3.28Å; M129-E131 PolarHBondContact O-N 3.49Å; M129-R132 WeakPolarHBondContact O-CB 3.33Å; M129-R132 PolarHBondContact O-N 2.81Å; M129-L133 HydrophobicContact CG-CD1 4.15Å; M129-L133 HydrophobicContact CG-CG 4.48Å; M129-L133 WeakPolarHBondContact O-CG 3.22Å; M129-L133 PolarHBondContact O-N 2.73Å; M129-L133 HydrophobicContact SD-CD1 4.13Å; M129-L133 HydrophobicContact SD-CD2 4.32Å; M129-L133 HydrophobicContact SD-CG 4.09Å; M129-L165 HydrophobicContact CB-CD1 4.39Å; M129-L165 HydrophobicContact CE-CD1 3.56Å; M129-L165 HydrophobicContact SD-CD1 3.58Å; M129-L165 VanDerWaalsContact SD-CD1 3.58Å
130E97.3Very high94.6Very high134 Ų13452.9 Ų52.963%0.62628%0.279SS*.Hα-helixtrans-61.7-39.9-177-62.881.6-173.700111.6V128 L133 R134V128-E130 PolarHBondContact O-N 3.37Å; E130-L133 PolarHBondContact O-N 2.94Å; E130-R134 VanDerWaalsContact O-CB 3.24Å; E130-R134 WeakPolarHBondContact O-CB 3.34Å; E130-R134 PolarHBondContact O-N 3.24Å
131E96.5Very high94.6Very high73 Ų7357.9 Ų57.934%0.34130%0.299SS..Hα-helixtrans-69.6-36.4179.6-66.4-56.2124.500112.2V128 M129 R134 S135V128-E131 HydrophobicContact CB-CB 4.13Å; V128-E131 HydrophobicContact CB-CG 4.19Å; V128-E131 HydrophobicContact CG1-CB 4.15Å; V128-E131 HydrophobicContact CG1-CG 3.83Å; V128-E131 PolarHBondContact O-N 3.32Å; M129-E131 VanDerWaalsContact C-N 3.28Å; M129-E131 PolarHBondContact O-N 3.49Å; E131-R134 PolarHBondContact O-N 2.76Å; E131-R134 IonicContact OE1-NE 2.83Å; E131-R134 IonicContact OE2-CZ 2.68Å; E131-R134 IonicContact OE2-NE 3.87Å; E131-R134 PolarHBondContact OE2-NE 3.05Å; E131-R134 IonicContact OE2-NH2 3.88Å; E131-R134 PolarHBondContact OE2-NH2 2.89Å; E131-S135 WeakPolarHBondContact O-CB 3.5Å; E131-S135 PolarHBondContact O-N 2.95Å
132R96.9Very high94.5Very high1 Ų163.4 Ų63.40%0.00432%0.317CS..Hα-helixtrans-63.7-47.5173.1-82.5-84.3-172.2-169.313.3112.4I123 E124 G126 V128 M129 R134 S135 A136 D150 G151 F152 L165 V169I123-R132 PolarHBondContact O-NH1 3.16Å; E124-R132 WeakPolarHBondContact O-CD 3.15Å; G126-R132 WeakPolarHBondContact O-CG 3.16Å; G126-R132 PolarHBondContact O-NE 3.27Å; V128-R132 WeakPolarHBondContact O-CB 3.38Å; V128-R132 WeakPolarHBondContact O-CG 3.3Å; V128-R132 PolarHBondContact O-N 2.88Å; M129-R132 WeakPolarHBondContact O-CB 3.33Å; M129-R132 PolarHBondContact O-N 2.81Å; R132-R134 VanDerWaalsContact C-N 3.34Å; R132-S135 PolarHBondContact O-N 3.14Å; R132-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 PolarHBondContact O-N 3.4Å; R132-D150 PolarHBondContact NH1-O 3.19Å; R132-D150 PolarHBondContact NH2-O 3.03Å; R132-G151 PolarHBondContact NH2-O 2.96Å; R132-F152 VanDerWaalsContact CZ-CE2 3.48Å; R132-L165 HydrophobicContact CB-CD1 4Å; R132-L165 HydrophobicContact CG-CD1 3.98Å; R132-L165 HydrophobicContact CG-CD2 4.04Å; R132-L165 HydrophobicContact CG-CG 4.16Å; R132-V169 HydrophobicContact CB-CG2 3.81Å; R132-V169 HydrophobicContact CG-CG2 4.41Å
133L97.9Very high94Very high30 Ų3066.8 Ų66.816%0.15734%0.34CS..Hα-helixtrans-65.7-39.3176.4-60.3177.7000111.3M129 E130 A136 R137 S168 E172M129-L133 HydrophobicContact CG-CD1 4.15Å; M129-L133 HydrophobicContact CG-CG 4.48Å; M129-L133 WeakPolarHBondContact O-CG 3.22Å; M129-L133 PolarHBondContact O-N 2.73Å; M129-L133 HydrophobicContact SD-CD1 4.13Å; M129-L133 HydrophobicContact SD-CD2 4.32Å; M129-L133 HydrophobicContact SD-CG 4.09Å; E130-L133 PolarHBondContact O-N 2.94Å; L133-A136 PolarHBondContact O-N 3.24Å; L133-R137 WeakPolarHBondContact O-CB 3.42Å; L133-R137 VanDerWaalsContact O-CG 3.24Å; L133-R137 WeakPolarHBondContact O-CG 3.39Å; L133-R137 PolarHBondContact O-N 2.91Å; L133-S168 WeakPolarHBondContact CD2-O 3.5Å; L133-E172 HydrophobicContact CD2-CG 3.66Å
134R96.6Very high93.6Very high137 Ų13767.4 Ų67.452%0.51734%0.344SS..Hα-helixtrans-60-47173.6-173.5179.97178.7-0111E130 E131 R132 E138E130-R134 VanDerWaalsContact O-CB 3.24Å; E130-R134 WeakPolarHBondContact O-CB 3.34Å; E130-R134 PolarHBondContact O-N 3.24Å; E131-R134 PolarHBondContact O-N 2.76Å; E131-R134 IonicContact OE1-NE 2.83Å; E131-R134 IonicContact OE2-CZ 2.68Å; E131-R134 IonicContact OE2-NE 3.87Å; E131-R134 PolarHBondContact OE2-NE 3.05Å; E131-R134 IonicContact OE2-NH2 3.88Å; E131-R134 PolarHBondContact OE2-NH2 2.89Å; R132-R134 VanDerWaalsContact C-N 3.34Å; R134-E138 HydrophobicContact CG-CG 4.42Å; R134-E138 VanDerWaalsContact O-CB 3.31Å; R134-E138 WeakPolarHBondContact O-CB 3.49Å; R134-E138 WeakPolarHBondContact O-CG 2.97Å; R134-E138 PolarHBondContact O-N 3.44Å
135S97.2Very high93.3Very high19 Ų1964.1 Ų64.113%0.13333%0.333CS..Hα-helixtrans-60-48.3177.1-171.40000111.5E124 E131 R132 E138 T139E124-S135 PolarHBondContact N-OG 3Å; E124-S135 WeakPolarHBondContact O-CB 3.45Å; E124-S135 PolarHBondContact O-OG 3.25Å; E131-S135 WeakPolarHBondContact O-CB 3.5Å; E131-S135 PolarHBondContact O-N 2.95Å; R132-S135 PolarHBondContact O-N 3.14Å; S135-E138 PolarHBondContact O-N 3.22Å; S135-T139 VanDerWaalsContact O-CB 3.27Å; S135-T139 WeakPolarHBondContact O-CB 3.37Å; S135-T139 PolarHBondContact O-N 3.44Å; S135-T139 PolarHBondContact O-OG1 3.15Å
136A96.9Very high93.6Very high0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-56.6-53.7177.200000112.2I123 R132 L133 E138 T139 A140 V169 E172 L173I123-A136 HydrophobicContact CG2-CB 4.27Å; R132-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 PolarHBondContact O-N 3.4Å; L133-A136 PolarHBondContact O-N 3.24Å; A136-E138 PolarHBondContact O-N 3.46Å; A136-T139 PolarHBondContact O-N 3.35Å; A136-A140 VanDerWaalsContact O-CB 3.25Å; A136-A140 WeakPolarHBondContact O-CB 3.24Å; A136-A140 PolarHBondContact O-N 2.96Å; A136-V169 HydrophobicContact CB-CG1 4.24Å; A136-E172 HydrophobicContact CB-CB 4.01Å; A136-L173 HydrophobicContact CB-CD2 3.94Å
137R97.4Very high93.8Very high115 Ų11561 Ų6143%0.43430%0.301SS..Hα-helixtrans-63-42.1-178.9-69.3170.1-174.6154.55.6112.3L133 K141 E172L133-R137 WeakPolarHBondContact O-CB 3.42Å; L133-R137 VanDerWaalsContact O-CG 3.24Å; L133-R137 WeakPolarHBondContact O-CG 3.39Å; L133-R137 PolarHBondContact O-N 2.91Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 2.82Å; R137-E172 HydrophobicContact CG-CB 4.46Å; R137-E172 WeakPolarHBondContact CG-OE2 3.3Å; R137-E172 IonicContact CZ-OE1 2.99Å; R137-E172 IonicContact CZ-OE2 3.51Å; R137-E172 VanDerWaalsContact NE-CD 3.32Å; R137-E172 IonicContact NE-OE1 3.7Å; R137-E172 IonicContact NE-OE2 3.62Å; R137-E172 PolarHBondContact NE-OE2 2.86Å; R137-E172 VanDerWaalsContact NH2-CD 3.35Å; R137-E172 IonicContact NH2-OE1 3.86Å; R137-E172 PolarHBondContact NH2-OE1 3.21Å; R137-E172 IonicContact NH2-OE2 3.47Å; R137-E172 PolarHBondContact NH2-OE2 3.41Å
138E94.8Very high94.1Very high63 Ų6357.2 Ų57.229%0.29428%0.281SS..Hα-helixtrans-69.6-48179-73.6-56.1127.400111.3R134 S135 A136 A140 K141 R142R134-E138 HydrophobicContact CG-CG 4.42Å; R134-E138 VanDerWaalsContact O-CB 3.31Å; R134-E138 WeakPolarHBondContact O-CB 3.49Å; R134-E138 WeakPolarHBondContact O-CG 2.97Å; R134-E138 PolarHBondContact O-N 3.44Å; S135-E138 PolarHBondContact O-N 3.22Å; A136-E138 PolarHBondContact O-N 3.46Å; E138-A140 VanDerWaalsContact C-N 3.27Å; E138-A140 PolarHBondContact O-N 2.81Å; E138-K141 WeakPolarHBondContact O-CB 3.4Å; E138-K141 PolarHBondContact O-N 3.29Å; E138-K141 VanDerWaalsContact O-N 3.11Å; E138-K141 IonicContact OE1-NZ 3.41Å; E138-K141 PolarHBondContact OE1-NZ 3.1Å; E138-K141 IonicContact OE2-NZ 3.44Å; E138-R142 VanDerWaalsContact C-NH1 3.34Å; E138-R142 WeakPolarHBondContact O-CD 3.39Å; E138-R142 PolarHBondContact O-NH1 3.21Å; E138-R142 IonicContact OE2-CZ 2.65Å; E138-R142 IonicContact OE2-NH1 2.77Å; E138-R142 PolarHBondContact OE2-NH1 3.03Å; E138-R142 IonicContact OE2-NH2 3.59Å
139T93.1Very high94.2Very high25 Ų2553.7 Ų53.715%0.15326%0.259CS..Hα-helixtrans-62.5-36.2179.7-60.20000111.5I123 S135 A136 K141 R142 F147I123-T139 HydrophobicContact CD1-CG2 3.78Å; S135-T139 VanDerWaalsContact O-CB 3.27Å; S135-T139 WeakPolarHBondContact O-CB 3.37Å; S135-T139 PolarHBondContact O-N 3.44Å; S135-T139 PolarHBondContact O-OG1 3.15Å; A136-T139 PolarHBondContact O-N 3.35Å; T139-K141 VanDerWaalsContact C-N 3.26Å; T139-K141 PolarHBondContact O-N 3.21Å; T139-R142 WeakPolarHBondContact O-CB 3.24Å; T139-R142 PolarHBondContact O-N 2.93Å; T139-F147 HydrophobicContact CG2-CD1 3.98Å; T139-F147 HydrophobicContact CG2-CE1 4.05Å
140A93.2Very high94.1Very high27 Ų2752.7 Ų52.722%0.22326%0.255CS..Hα-helixtrans-63.1-26.6176.200000114.3A136 E138 R142 F147A136-A140 VanDerWaalsContact O-CB 3.25Å; A136-A140 WeakPolarHBondContact O-CB 3.24Å; A136-A140 PolarHBondContact O-N 2.96Å; E138-A140 VanDerWaalsContact C-N 3.27Å; E138-A140 PolarHBondContact O-N 2.81Å; A140-R142 PolarHBondContact O-N 3.12Å; A140-F147 HydrophobicContact CB-CE1 4.2Å; A140-F147 HydrophobicContact CB-CZ 4.05Å
141K90.2Very high93.7Very high145 Ų14547.4 Ų47.463%0.6324%0.236SC*.THydrogen-bonded Turntrans-69-18.2174.4-66.5168.2-174.3177.90113R137 E138 T139R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 2.82Å; E138-K141 WeakPolarHBondContact O-CB 3.4Å; E138-K141 PolarHBondContact O-N 3.29Å; E138-K141 VanDerWaalsContact O-N 3.11Å; E138-K141 IonicContact OE1-NZ 3.41Å; E138-K141 PolarHBondContact OE1-NZ 3.1Å; E138-K141 IonicContact OE2-NZ 3.44Å; T139-K141 VanDerWaalsContact C-N 3.26Å; T139-K141 PolarHBondContact O-N 3.21Å
142R88.8Confident93.5Very high125 Ų12543.9 Ų43.947%0.47222%0.22SC..SBendtrans-87.3152.7-178.8-75.870.3173.7164.8-0.2110.1E138 T139 A140 V144E138-R142 VanDerWaalsContact C-NH1 3.34Å; E138-R142 WeakPolarHBondContact O-CD 3.39Å; E138-R142 PolarHBondContact O-NH1 3.21Å; E138-R142 IonicContact OE2-CZ 2.65Å; E138-R142 IonicContact OE2-NH1 2.77Å; E138-R142 PolarHBondContact OE2-NH1 3.03Å; E138-R142 IonicContact OE2-NH2 3.59Å; T139-R142 WeakPolarHBondContact O-CB 3.24Å; T139-R142 PolarHBondContact O-N 2.93Å; A140-R142 PolarHBondContact O-N 3.12Å; R142-V144 HydrophobicContact CB-CG1 4.09Å; R142-V144 PolarHBondContact O-N 3.28Å
143P85.6Confident93Very high130 Ų13047.5 Ų47.584%0.84424%0.237SC*.  trans-77.351.3179.134.3-37.3000112.2
144V88.6Confident92.2Very high14 Ų1447.2 Ų47.29%0.08524%0.241CC..  trans-78.8151.1174.2-57.80000110.5I119 R142 F147 K177I119-V144 HydrophobicContact CG2-CB 4.43Å; I119-V144 HydrophobicContact CG2-CG1 4.16Å; R142-V144 HydrophobicContact CB-CG1 4.09Å; R142-V144 PolarHBondContact O-N 3.28Å; V144-F147 HydrophobicContact CG2-CD1 4.1Å; V144-F147 HydrophobicContact CG2-CE1 3.57Å; V144-F147 HydrophobicContact CG2-CZ 4.01Å; V144-K177 WeakPolarHBondContact O-CE 3.49Å; V144-K177 PolarHBondContact O-NZ 2.94Å
145G86.2Confident91.4Very high17 Ų1747.8 Ų47.818%0.17526%0.255CS..SBendtrans-79.3-26.8179.900000114M2 I119 P178M2-G145 WeakPolarHBondContact CE-O 3.34Å; I119-G145 PolarHBondContact O-N 3.34Å; G145-P178 WeakPolarHBondContact O-CD 3.44Å
146G93.6Very high90.6Very high0 Ų051.5 Ų51.50%028%0.278CS..EExtended strand (participates in β ladder)trans-166.6-175.1-18000000110.4G121 P178G121-G146 PolarHBondContact N-O 3Å; G146-P178 WeakPolarHBondContact CA-O 3.27Å
147F96.7Very high90Very high0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-125.3134.2-175.9-53.3-80.8000111.4G121 I123 T139 A140 V144 L173 P174 K177 P178 R179 L180G121-F147 CarbonylContact O-C 3.09Å; G121-F147 VanDerWaalsContact O-CA 3.23Å; G121-F147 WeakPolarHBondContact O-CA 3.4Å; I123-F147 HydrophobicContact CD1-CB 4.47Å; I123-F147 HydrophobicContact CD1-CD1 3.87Å; I123-F147 HydrophobicContact CG1-CB 4.2Å; I123-F147 HydrophobicContact CG1-CD1 4.49Å; T139-F147 HydrophobicContact CG2-CD1 3.98Å; T139-F147 HydrophobicContact CG2-CE1 4.05Å; A140-F147 HydrophobicContact CB-CE1 4.2Å; A140-F147 HydrophobicContact CB-CZ 4.05Å; V144-F147 HydrophobicContact CG2-CD1 4.1Å; V144-F147 HydrophobicContact CG2-CE1 3.57Å; V144-F147 HydrophobicContact CG2-CZ 4.01Å; F147-L173 HydrophobicContact CB-CD1 3.94Å; F147-L173 HydrophobicContact CD1-CD2 3.88Å; F147-L173 HydrophobicContact CD2-CB 4.32Å; F147-L173 HydrophobicContact CD2-CD1 4.12Å; F147-L173 HydrophobicContact CD2-CD2 4.05Å; F147-L173 HydrophobicContact CD2-CG 4.4Å; F147-L173 HydrophobicContact CE1-CD2 4.03Å; F147-L173 HydrophobicContact CE2-CB 4.43Å; F147-L173 HydrophobicContact CE2-CD2 4.2Å; F147-L173 HydrophobicContact CG-CD1 4.02Å; F147-L173 HydrophobicContact CG-CD2 3.88Å; F147-L173 HydrophobicContact CG-CG 4.48Å; F147-L173 HydrophobicContact CZ-CD2 4.19Å; F147-P174 HydrophobicContact CE2-CG 3.62Å; F147-P174 HydrophobicContact CZ-CG 3.77Å; F147-K177 HydrophobicContact CD2-CB 4.33Å; F147-K177 HydrophobicContact CE2-CB 3.85Å; F147-K177 HydrophobicContact CE2-CD 3.84Å; F147-K177 HydrophobicContact CE2-CG 4.45Å; F147-K177 HydrophobicContact CZ-CD 4.06Å; F147-P178 PolarHBondContact N-O 3.3Å; F147-R179 CarbonylContact O-C 3.54Å; F147-R179 WeakPolarHBondContact O-CA 3.43Å; F147-L180 PolarHBondContact O-N 2.97Å
148L97.6Very high89.5Confident17 Ų1747.8 Ų47.89%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-97.6123.9167.7179.366.8000108.3I120 G121 V122 I123 D150 L180 C182I120-L148 HydrophobicContact CG2-CB 3.8Å; G121-L148 PolarHBondContact O-N 2.86Å; V122-L148 HydrophobicContact CG1-CD2 4.36Å; V122-L148 HydrophobicContact CG2-CB 4.35Å; V122-L148 HydrophobicContact CG2-CD2 4.2Å; I123-L148 PolarHBondContact N-O 3.46Å; L148-D150 PolarHBondContact O-N 3.24Å; L148-L180 CarbonylContact C-O 3.55Å; L148-L180 WeakPolarHBondContact CA-O 3.4Å; L148-L180 HydrophobicContact CD1-CB 3.91Å; L148-C182 HydrophobicContact CD1-CB 4.01Å
149L97.4Very high89.3Confident0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-90.995176.3-61168.4000107.6I123 F152 L166 V169 T170 L173 R179 L180 I181 V198I123-L149 HydrophobicContact CB-CD2 4.24Å; I123-L149 HydrophobicContact CG1-CD2 4.13Å; L149-F152 HydrophobicContact CB-CD2 3.92Å; L149-F152 HydrophobicContact CB-CE2 3.89Å; L149-F152 HydrophobicContact CD2-CE2 4.42Å; L149-L166 HydrophobicContact CB-CD1 4.4Å; L149-L166 HydrophobicContact CD1-CD1 3.69Å; L149-L166 HydrophobicContact CG-CD1 4.46Å; L149-V169 HydrophobicContact CD2-CG1 3.6Å; L149-T170 HydrophobicContact CD1-CG2 3.91Å; L149-L173 HydrophobicContact CD2-CD1 3.95Å; L149-R179 HydrophobicContact CD1-CB 4.32Å; L149-L180 WeakPolarHBondContact CB-O 3.48Å; L149-L180 PolarHBondContact N-O 3.49Å; L149-I181 HydrophobicContact CB-CB 4.44Å; L149-I181 HydrophobicContact CB-CG1 4.24Å; L149-V198 HydrophobicContact CD1-CG2 3.74Å
150D94.1Very high89.3Confident35 Ų3554.6 Ų54.619%0.18731%0.305CS..  trans-94.8157.9-176.7-158.2-8.3000111.4V122 I123 R132 L148 F152 C182V122-D150 HydrophobicContact CG1-CB 3.66Å; I123-D150 PolarHBondContact O-N 2.68Å; R132-D150 PolarHBondContact NH1-O 3.19Å; R132-D150 PolarHBondContact NH2-O 3.03Å; L148-D150 PolarHBondContact O-N 3.24Å; D150-F152 VanDerWaalsContact O-CD2 3.26Å; D150-F152 WeakPolarHBondContact O-CD2 3.12Å; D150-F152 PolarHBondContact O-N 2.85Å; D150-C182 PolarHBondContact OD1-SG 3.35Å; D150-C182 VanDerWaalsContact OD1-SG 3.34Å
151G88.8Confident89.2Confident22 Ų2258.6 Ų58.623%0.22733%0.327CS..SBendtrans73.920.5174.900000115.2R132R132-G151 PolarHBondContact NH2-O 2.96Å
152F91.8Very high89.5Confident0 Ų054.6 Ų54.60%031%0.308CS..  trans-100.4-15.5176.6-70.2-82.1000113.7R132 L149 D150 V158 R162 L165 L166 V169 I181R132-F152 VanDerWaalsContact CZ-CE2 3.48Å; L149-F152 HydrophobicContact CB-CD2 3.92Å; L149-F152 HydrophobicContact CB-CE2 3.89Å; L149-F152 HydrophobicContact CD2-CE2 4.42Å; D150-F152 VanDerWaalsContact O-CD2 3.26Å; D150-F152 WeakPolarHBondContact O-CD2 3.12Å; D150-F152 PolarHBondContact O-N 2.85Å; F152-V158 WeakPolarHBondContact O-CG1 3.2Å; F152-V158 WeakPolarHBondContact O-CG2 3.4Å; F152-R162 HydrophobicContact CD1-CB 4.3Å; F152-L165 HydrophobicContact CE1-CB 4.23Å; F152-L165 HydrophobicContact CE1-CD2 4.26Å; F152-L165 HydrophobicContact CE1-CG 4.1Å; F152-L166 HydrophobicContact CD1-CB 4.07Å; F152-L166 HydrophobicContact CD1-CD1 4.15Å; F152-L166 HydrophobicContact CD2-CD1 4.23Å; F152-L166 HydrophobicContact CE1-CB 3.83Å; F152-L166 HydrophobicContact CE1-CD1 4.07Å; F152-L166 HydrophobicContact CE2-CD1 4.13Å; F152-L166 HydrophobicContact CG-CD1 4.23Å; F152-L166 HydrophobicContact CZ-CB 4.47Å; F152-L166 HydrophobicContact CZ-CD1 4.05Å; F152-V169 HydrophobicContact CZ-CG2 4.3Å; F152-I181 HydrophobicContact CB-CD1 4.07Å
153Q86.5Confident89.8Confident77 Ų7749.3 Ų49.336%0.3629%0.289SS..  trans-52.9142.6177.365.5-8537.600111.6R162 G183Q153-R162 PolarHBondContact O-NH1 2.8Å; Q153-G183 WeakPolarHBondContact CB-O 3.25Å
154G81.4Confident90.3Very high24 Ų2448.7 Ų48.725%0.24728%0.275CS..  trans-128.8173.3178.100000112.2A157G154-A157 WeakPolarHBondContact CA-O 3.44Å
155D80.1Confident90.6Very high148 Ų14848.4 Ų48.479%0.79127%0.272SS*.SBendtrans-136.1112.4173.9-171.2-3.8000107.7
156P80.4Confident91.2Very high97 Ų9747.6 Ų47.663%0.6326%0.264SS*.SBendcis-82.9-9.65.235.3-37.8000114.3R186P156-R186 PolarHBondContact O-NH1 2.9Å
157A84.3Confident91.3Very high21 Ų2149.6 Ų49.617%0.17428%0.278CS..SBendtrans-153.6165.2-179.400000112.7G154 T159 E189G154-A157 WeakPolarHBondContact CA-O 3.44Å; A157-T159 PolarHBondContact O-N 3.2Å; A157-E189 WeakPolarHBondContact CA-OE1 3.23Å; A157-E189 HydrophobicContact CB-CG 3.64Å
158V85.9Confident91.4Very high16 Ų1651 Ų5110%0.09729%0.288CS..  trans-51.5128.1172.9-171.70000111F152 R162 L163 V184 E189F152-V158 WeakPolarHBondContact O-CG1 3.2Å; F152-V158 WeakPolarHBondContact O-CG2 3.4Å; V158-R162 HydrophobicContact CG1-CB 3.77Å; V158-L163 HydrophobicContact CB-CD2 4.23Å; V158-L163 HydrophobicContact CB-CG 4.41Å; V158-L163 HydrophobicContact CG1-CD2 3.77Å; V158-L163 HydrophobicContact CG1-CG 3.85Å; V158-V184 HydrophobicContact CG2-CG1 4.3Å; V158-V184 HydrophobicContact CG2-CG2 3.68Å; V158-E189 HydrophobicContact CG2-CB 4.49Å; V158-E189 WeakPolarHBondContact CG2-OE1 3.34Å; V158-E189 PolarHBondContact N-OE1 3.06Å
159T91.9Very high91.4Very high68 Ų6850.2 Ų50.242%0.41728%0.284SS..  trans-75.5153.5-179.3650000112.1A157 T161 R162 L163A157-T159 PolarHBondContact O-N 3.2Å; T159-T161 VanDerWaalsContact C-N 3.26Å; T159-T161 PolarHBondContact O-N 2.72Å; T159-R162 CarbonylContact O-C 3.52Å; T159-R162 WeakPolarHBondContact O-CA 3.4Å; T159-R162 PolarHBondContact O-N 3.41Å; T159-R162 WeakPolarHBondContact OG1-CB 3.21Å; T159-R162 WeakPolarHBondContact OG1-CG 3.33Å; T159-R162 PolarHBondContact OG1-N 3.45Å; T159-L163 WeakPolarHBondContact O-CG 3.38Å; T159-L163 PolarHBondContact O-N 3.09Å
160E92.7Very high91.4Very high164 Ų16450.6 Ų50.677%0.76629%0.286SS*.Hα-helixtrans-56.7-39177.8-171.6176.3-175.700112.7R162 L163 H164E160-R162 VanDerWaalsContact C-N 3.34Å; E160-R162 PolarHBondContact O-N 3.29Å; E160-L163 WeakPolarHBondContact O-CB 3.4Å; E160-L163 PolarHBondContact O-N 3.25Å; E160-H164 PolarHBondContact O-N 3.4Å
161T92Very high91.6Very high110 Ų11053 Ų5368%0.67531%0.311SS*.Hα-helixtrans-59.7-43.5173.9-51.60000111.8T159 H164 L165T159-T161 VanDerWaalsContact C-N 3.26Å; T159-T161 PolarHBondContact O-N 2.72Å; T161-H164 PolarHBondContact O-N 3.34Å; T161-L165 WeakPolarHBondContact O-CB 3.16Å; T161-L165 PolarHBondContact O-N 3.27Å
162R94.7Very high92Very high62 Ų6255.3 Ų55.323%0.23432%0.316CS..Hα-helixtrans-70.9-32177-77.7-178.3175.7169.44.2112.3D127 F152 Q153 V158 T159 E160 L165 L166D127-R162 IonicContact OD1-CZ 2.67Å; D127-R162 IonicContact OD1-NE 3.65Å; D127-R162 PolarHBondContact OD1-NE 2.71Å; D127-R162 IonicContact OD1-NH2 3.92Å; D127-R162 PolarHBondContact OD1-NH2 2.89Å; D127-R162 IonicContact OD2-CZ 3.28Å; D127-R162 IonicContact OD2-NE 3.03Å; D127-R162 IonicContact OD2-NH2 3.65Å; D127-R162 PolarHBondContact OD2-NH2 2.96Å; F152-R162 HydrophobicContact CD1-CB 4.3Å; Q153-R162 PolarHBondContact O-NH1 2.8Å; V158-R162 HydrophobicContact CG1-CB 3.77Å; T159-R162 CarbonylContact O-C 3.52Å; T159-R162 WeakPolarHBondContact O-CA 3.4Å; T159-R162 PolarHBondContact O-N 3.41Å; T159-R162 WeakPolarHBondContact OG1-CB 3.21Å; T159-R162 WeakPolarHBondContact OG1-CG 3.33Å; T159-R162 PolarHBondContact OG1-N 3.45Å; E160-R162 VanDerWaalsContact C-N 3.34Å; E160-R162 PolarHBondContact O-N 3.29Å; R162-L165 WeakPolarHBondContact O-CB 3.43Å; R162-L165 PolarHBondContact O-N 3.16Å; R162-L166 VanDerWaalsContact O-CB 3.27Å; R162-L166 WeakPolarHBondContact O-CB 3.48Å; R162-L166 PolarHBondContact O-N 3.38Å
163L95.6Very high92.3Very high14 Ų1455.6 Ų55.67%0.07332%0.317CS..Hα-helixtrans-64.7-42.1171-73.8179.9000111.6V158 T159 E160 L166 S167 E192 R196V158-L163 HydrophobicContact CB-CD2 4.23Å; V158-L163 HydrophobicContact CB-CG 4.41Å; V158-L163 HydrophobicContact CG1-CD2 3.77Å; V158-L163 HydrophobicContact CG1-CG 3.85Å; T159-L163 WeakPolarHBondContact O-CG 3.38Å; T159-L163 PolarHBondContact O-N 3.09Å; E160-L163 WeakPolarHBondContact O-CB 3.4Å; E160-L163 PolarHBondContact O-N 3.25Å; L163-L166 HydrophobicContact CD2-CD2 4.37Å; L163-L166 WeakPolarHBondContact O-CB 3.33Å; L163-L166 PolarHBondContact O-N 2.92Å; L163-S167 PolarHBondContact O-N 3.27Å; L163-S167 VanDerWaalsContact O-N 3.14Å; L163-E192 HydrophobicContact CD1-CB 3.94Å; L163-E192 HydrophobicContact CD1-CG 4.05Å; L163-E192 HydrophobicContact CD2-CB 3.8Å; L163-R196 WeakPolarHBondContact O-CD 3.48Å; L163-R196 PolarHBondContact O-NE 3.11Å
164H95.8Very high92.8Very high117 Ų11753.9 Ų53.954%0.54231%0.313SS..Hα-helixtrans-61.6-45.4172.4-179.3-80.4000111.3E160 T161 L166 S167 S168E160-H164 PolarHBondContact O-N 3.4Å; T161-H164 PolarHBondContact O-N 3.34Å; H164-L166 VanDerWaalsContact C-N 3.33Å; H164-L166 PolarHBondContact O-N 2.95Å; H164-S167 PolarHBondContact O-N 3.48Å; H164-S167 PolarHBondContact O-OG 3.14Å; H164-S168 PolarHBondContact O-N 2.83Å; H164-S168 VanDerWaalsContact O-N 3.15Å; H164-S168 PolarHBondContact O-OG 3.15Å; H164-S168 VanDerWaalsContact O-OG 3.11Å
165L96.1Very high93.5Very high7 Ų758.9 Ų58.94%0.03733%0.33CS..Hα-helixtrans-59.7-42.5176.5-172.160.6000112.2M129 R132 F152 T161 R162 S167 S168 V169M129-L165 HydrophobicContact CB-CD1 4.39Å; M129-L165 HydrophobicContact CE-CD1 3.56Å; M129-L165 HydrophobicContact SD-CD1 3.58Å; M129-L165 VanDerWaalsContact SD-CD1 3.58Å; R132-L165 HydrophobicContact CB-CD1 4Å; R132-L165 HydrophobicContact CG-CD1 3.98Å; R132-L165 HydrophobicContact CG-CD2 4.04Å; R132-L165 HydrophobicContact CG-CG 4.16Å; F152-L165 HydrophobicContact CE1-CB 4.23Å; F152-L165 HydrophobicContact CE1-CD2 4.26Å; F152-L165 HydrophobicContact CE1-CG 4.1Å; T161-L165 WeakPolarHBondContact O-CB 3.16Å; T161-L165 PolarHBondContact O-N 3.27Å; R162-L165 WeakPolarHBondContact O-CB 3.43Å; R162-L165 PolarHBondContact O-N 3.16Å; L165-S167 PolarHBondContact O-N 3.01Å; L165-S168 WeakPolarHBondContact O-CB 3.49Å; L165-S168 PolarHBondContact O-N 3.19Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 2.8Å
166L97.7Very high94.2Very high0 Ų056.9 Ų56.90%032%0.319CS..Hα-helixtrans-57.6-47.8177.4-177.966.3000111.1L149 F152 R162 L163 H164 S168 V169 T170 I181 C193 R196 V198L149-L166 HydrophobicContact CB-CD1 4.4Å; L149-L166 HydrophobicContact CD1-CD1 3.69Å; L149-L166 HydrophobicContact CG-CD1 4.46Å; F152-L166 HydrophobicContact CD1-CB 4.07Å; F152-L166 HydrophobicContact CD1-CD1 4.15Å; F152-L166 HydrophobicContact CD2-CD1 4.23Å; F152-L166 HydrophobicContact CE1-CB 3.83Å; F152-L166 HydrophobicContact CE1-CD1 4.07Å; F152-L166 HydrophobicContact CE2-CD1 4.13Å; F152-L166 HydrophobicContact CG-CD1 4.23Å; F152-L166 HydrophobicContact CZ-CB 4.47Å; F152-L166 HydrophobicContact CZ-CD1 4.05Å; R162-L166 VanDerWaalsContact O-CB 3.27Å; R162-L166 WeakPolarHBondContact O-CB 3.48Å; R162-L166 PolarHBondContact O-N 3.38Å; L163-L166 HydrophobicContact CD2-CD2 4.37Å; L163-L166 WeakPolarHBondContact O-CB 3.33Å; L163-L166 PolarHBondContact O-N 2.92Å; H164-L166 VanDerWaalsContact C-N 3.33Å; H164-L166 PolarHBondContact O-N 2.95Å; L166-S168 VanDerWaalsContact C-N 3.3Å; L166-S168 PolarHBondContact O-N 2.89Å; L166-V169 PolarHBondContact O-N 3.26Å; L166-T170 HydrophobicContact CD1-CG2 4.44Å; L166-T170 WeakPolarHBondContact O-CG2 3.45Å; L166-T170 PolarHBondContact O-N 3.28Å; L166-T170 PolarHBondContact O-OG1 3.18Å; L166-I181 HydrophobicContact CD1-CD1 4.31Å; L166-I181 HydrophobicContact CD2-CD1 4.44Å; L166-C193 HydrophobicContact CD2-CB 4.09Å; L166-C193 VanDerWaalsContact CD2-SG 3.6Å; L166-R196 HydrophobicContact CD2-CB 4.05Å; L166-R196 HydrophobicContact CG-CB 4.21Å; L166-V198 HydrophobicContact CD1-CG2 4.1Å; L166-V198 HydrophobicContact CD2-CG2 4.02Å; L166-V198 HydrophobicContact CG-CG2 4.35Å
167S96.4Very high94.9Very high43 Ų4354.1 Ų54.130%0.30130%0.297SS..Hα-helixtrans-63.1-36178.271.30000113.1L163 H164 L165 T170 A171L163-S167 PolarHBondContact O-N 3.27Å; L163-S167 VanDerWaalsContact O-N 3.14Å; H164-S167 PolarHBondContact O-N 3.48Å; H164-S167 PolarHBondContact O-OG 3.14Å; L165-S167 PolarHBondContact O-N 3.01Å; S167-T170 PolarHBondContact O-OG1 3.39Å; S167-A171 WeakPolarHBondContact O-CB 3.36Å; S167-A171 PolarHBondContact O-N 3.36Å
168S97.7Very high95.5Very high29 Ų2953.3 Ų53.320%0.20329%0.29CS..Hα-helixtrans-68.3-39.4177.1-57.10000111.2L133 H164 L165 L166L133-S168 WeakPolarHBondContact CD2-O 3.5Å; H164-S168 PolarHBondContact O-N 2.83Å; H164-S168 VanDerWaalsContact O-N 3.15Å; H164-S168 PolarHBondContact O-OG 3.15Å; H164-S168 VanDerWaalsContact O-OG 3.11Å; L165-S168 WeakPolarHBondContact O-CB 3.49Å; L165-S168 PolarHBondContact O-N 3.19Å; L166-S168 VanDerWaalsContact C-N 3.3Å; L166-S168 PolarHBondContact O-N 2.89Å
169V98.2Very high96.1Very high0 Ų053.2 Ų53.20%029%0.288CS..Hα-helixtrans-67.5-48.2176.8168.70000111.6I123 R132 A136 L149 F152 L165 L166 A171 E172 L173I123-V169 HydrophobicContact CG2-CG1 3.83Å; R132-V169 HydrophobicContact CB-CG2 3.81Å; R132-V169 HydrophobicContact CG-CG2 4.41Å; A136-V169 HydrophobicContact CB-CG1 4.24Å; L149-V169 HydrophobicContact CD2-CG1 3.6Å; F152-V169 HydrophobicContact CZ-CG2 4.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 2.8Å; L166-V169 PolarHBondContact O-N 3.26Å; V169-A171 PolarHBondContact O-N 2.89Å; V169-E172 PolarHBondContact O-N 3.37Å; V169-L173 HydrophobicContact CG1-CD1 4.31Å
170T97.9Very high96.4Very high9 Ų950.5 Ų50.56%0.05527%0.27CS..Hα-helixtrans-67.3-24.9-176.356.70000112.9L149 L166 S167 E172 L173 R179 R196L149-T170 HydrophobicContact CD1-CG2 3.91Å; L166-T170 HydrophobicContact CD1-CG2 4.44Å; L166-T170 WeakPolarHBondContact O-CG2 3.45Å; L166-T170 PolarHBondContact O-N 3.28Å; L166-T170 PolarHBondContact O-OG1 3.18Å; S167-T170 PolarHBondContact O-OG1 3.39Å; T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 PolarHBondContact O-N 2.98Å; T170-L173 PolarHBondContact O-N 2.75Å; T170-R179 PolarHBondContact O-NH2 3.26Å; T170-R196 WeakPolarHBondContact CB-O 3.45Å; T170-R196 WeakPolarHBondContact CG2-O 3.47Å; T170-R196 PolarHBondContact OG1-O 2.88Å
171A97.6Very high96.6Very high84 Ų8442.8 Ų42.869%0.69424%0.235SC*.Hα-helixtrans-65.1-26.9171.800000113.4S167 V169S167-A171 WeakPolarHBondContact O-CB 3.36Å; S167-A171 PolarHBondContact O-N 3.36Å; V169-A171 PolarHBondContact O-N 2.89Å
172E98Very high96.7Very high71 Ų7138.3 Ų38.333%0.33221%0.207SC..Hα-helixtrans-87.6-12.1177.9-63-71164.700113.1L133 A136 R137 V169 T170L133-E172 HydrophobicContact CD2-CG 3.66Å; A136-E172 HydrophobicContact CB-CB 4.01Å; R137-E172 HydrophobicContact CG-CB 4.46Å; R137-E172 WeakPolarHBondContact CG-OE2 3.3Å; R137-E172 IonicContact CZ-OE1 2.99Å; R137-E172 IonicContact CZ-OE2 3.51Å; R137-E172 VanDerWaalsContact NE-CD 3.32Å; R137-E172 IonicContact NE-OE1 3.7Å; R137-E172 IonicContact NE-OE2 3.62Å; R137-E172 PolarHBondContact NE-OE2 2.86Å; R137-E172 VanDerWaalsContact NH2-CD 3.35Å; R137-E172 IonicContact NH2-OE1 3.86Å; R137-E172 PolarHBondContact NH2-OE1 3.21Å; R137-E172 IonicContact NH2-OE2 3.47Å; R137-E172 PolarHBondContact NH2-OE2 3.41Å; V169-E172 PolarHBondContact O-N 3.37Å; T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 PolarHBondContact O-N 2.98Å
173L97.9Very high96.5Very high6 Ų636.3 Ų36.33%0.03121%0.206CC..SBendtrans-91.2136.8-176.2-64.6179.6000111.6I123 A136 F147 L149 V169 T170 E175 R179I123-L173 HydrophobicContact CD1-CD2 4.19Å; I123-L173 HydrophobicContact CG1-CD1 4.45Å; I123-L173 HydrophobicContact CG1-CD2 4.41Å; A136-L173 HydrophobicContact CB-CD2 3.94Å; F147-L173 HydrophobicContact CB-CD1 3.94Å; F147-L173 HydrophobicContact CD1-CD2 3.88Å; F147-L173 HydrophobicContact CD2-CB 4.32Å; F147-L173 HydrophobicContact CD2-CD1 4.12Å; F147-L173 HydrophobicContact CD2-CD2 4.05Å; F147-L173 HydrophobicContact CD2-CG 4.4Å; F147-L173 HydrophobicContact CE1-CD2 4.03Å; F147-L173 HydrophobicContact CE2-CB 4.43Å; F147-L173 HydrophobicContact CE2-CD2 4.2Å; F147-L173 HydrophobicContact CG-CD1 4.02Å; F147-L173 HydrophobicContact CG-CD2 3.88Å; F147-L173 HydrophobicContact CG-CG 4.48Å; F147-L173 HydrophobicContact CZ-CD2 4.19Å; L149-L173 HydrophobicContact CD2-CD1 3.95Å; V169-L173 HydrophobicContact CG1-CD1 4.31Å; T170-L173 PolarHBondContact O-N 2.75Å; L173-E175 PolarHBondContact O-N 2.72Å; L173-R179 HydrophobicContact CD1-CG 4.26Å; L173-R179 PolarHBondContact O-NH2 3.03Å
174P96.4Very high96.5Very high41 Ų4135.6 Ų35.627%0.26620%0.203SC..  trans-63.1138.2-177.329.7-37.4000111.4F147 D176 K177F147-P174 HydrophobicContact CE2-CG 3.62Å; F147-P174 HydrophobicContact CZ-CG 3.77Å; P174-D176 VanDerWaalsContact C-N 3.29Å; P174-D176 WeakPolarHBondContact CB-OD1 3.38Å; P174-D176 PolarHBondContact O-N 2.82Å; P174-K177 HydrophobicContact CG-CD 4.17Å; P174-K177 HydrophobicContact CG-CG 4.46Å
175E96.4Very high96.5Very high130 Ų13030 Ų3061%0.60718%0.177SC*.THydrogen-bonded Turntrans-73-19.2-172.3-66.6-173.7177.500114R14 L173 K177R14-E175 VanDerWaalsContact CZ-O 3.26Å; R14-E175 PolarHBondContact NH1-O 3.48Å; R14-E175 PolarHBondContact NH2-O 2.71Å; L173-E175 PolarHBondContact O-N 2.72Å; E175-K177 PolarHBondContact O-N 3.41Å
176D94.4Very high96.6Very high105 Ų10531.6 Ų31.656%0.56118%0.182SC*.THydrogen-bonded Turntrans-84.14.5-17870.1-36.6000113.5L4 P174L4-D176 WeakPolarHBondContact CB-O 3.34Å; P174-D176 VanDerWaalsContact C-N 3.29Å; P174-D176 WeakPolarHBondContact CB-OD1 3.38Å; P174-D176 PolarHBondContact O-N 2.82Å
177K94.8Very high96.5Very high40 Ų4031.6 Ų31.617%0.17418%0.182CC..SBendtrans-123.7144.5178.3-65.6-173-174.8-178.20111.8V144 F147 P174 E175V144-K177 WeakPolarHBondContact O-CE 3.49Å; V144-K177 PolarHBondContact O-NZ 2.94Å; F147-K177 HydrophobicContact CD2-CB 4.33Å; F147-K177 HydrophobicContact CE2-CB 3.85Å; F147-K177 HydrophobicContact CE2-CD 3.84Å; F147-K177 HydrophobicContact CE2-CG 4.45Å; F147-K177 HydrophobicContact CZ-CD 4.06Å; P174-K177 HydrophobicContact CG-CD 4.17Å; P174-K177 HydrophobicContact CG-CG 4.46Å; E175-K177 PolarHBondContact O-N 3.41Å
178P97.3Very high96.5Very high3 Ų330.4 Ų30.42%0.01917%0.172CC..  trans-73.1148.9-179.930.2-35.3000112.3M2 L4 I18 G145 G146 F147 D199M2-P178 VanDerWaalsContact CE-CD 3.42Å; M2-P178 HydrophobicContact CE-CG 3.53Å; M2-P178 HydrophobicContact SD-CG 4.19Å; L4-P178 HydrophobicContact CD1-CB 4Å; I18-P178 HydrophobicContact CD1-CB 3.66Å; I18-P178 HydrophobicContact CD1-CG 4.15Å; I18-P178 HydrophobicContact CG1-CB 4.5Å; G145-P178 WeakPolarHBondContact O-CD 3.44Å; G146-P178 WeakPolarHBondContact CA-O 3.27Å; F147-P178 PolarHBondContact N-O 3.3Å; P178-D199 WeakPolarHBondContact CA-OD2 3.47Å
179R98.4Very high96.4Very high15 Ų1529.7 Ų29.76%0.05717%0.166CC..EExtended strand (participates in β ladder)trans-115.8113.3178-60.8152.3-175.6-170.6-3109.5F147 L149 T170 L173 G197 D199 L200F147-R179 CarbonylContact O-C 3.54Å; F147-R179 WeakPolarHBondContact O-CA 3.43Å; L149-R179 HydrophobicContact CD1-CB 4.32Å; T170-R179 PolarHBondContact O-NH2 3.26Å; L173-R179 HydrophobicContact CD1-CG 4.26Å; L173-R179 PolarHBondContact O-NH2 3.03Å; R179-G197 WeakPolarHBondContact CD-O 3.26Å; R179-G197 PolarHBondContact NH1-O 3.24Å; R179-D199 PolarHBondContact N-OD2 3.01Å; R179-D199 WeakPolarHBondContact O-CA 3.26Å; R179-D199 WeakPolarHBondContact O-CB 3.14Å; R179-D199 PolarHBondContact O-N 3.44Å; R179-L200 PolarHBondContact O-N 3.24Å
180L98.3Very high96.4Very high10 Ų1029.7 Ų29.75%0.05217%0.166CC..EExtended strand (participates in β ladder)trans-97.5149176.6-60.881.5000108.9L35 Y94 I120 F147 L148 L149 L200L35-L180 HydrophobicContact CD1-CD2 4.35Å; Y94-L180 HydrophobicContact CD2-CD2 4.16Å; Y94-L180 HydrophobicContact CE1-CD2 4.4Å; Y94-L180 HydrophobicContact CE2-CD2 3.9Å; I120-L180 HydrophobicContact CD1-CD1 4.31Å; I120-L180 HydrophobicContact CG2-CD1 4.23Å; F147-L180 PolarHBondContact O-N 2.97Å; L148-L180 CarbonylContact C-O 3.55Å; L148-L180 WeakPolarHBondContact CA-O 3.4Å; L148-L180 HydrophobicContact CD1-CB 3.91Å; L149-L180 WeakPolarHBondContact CB-O 3.48Å; L149-L180 PolarHBondContact N-O 3.49Å; L180-L200 WeakPolarHBondContact CA-O 3.46Å; L180-L200 HydrophobicContact CB-CB 4.49Å; L180-L200 HydrophobicContact CD1-CD1 4.47Å; L180-L200 HydrophobicContact CD2-CD1 4.48Å; L180-L200 HydrophobicContact CG-CB 3.97Å; L180-L200 HydrophobicContact CG-CD1 4.11Å
181I97.4Very high96.4Very high3 Ų329.3 Ų29.32%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-126.8140.1169-163.9164000109.2L149 F152 L166 V184 V198 L200 F201L149-I181 HydrophobicContact CB-CB 4.44Å; L149-I181 HydrophobicContact CB-CG1 4.24Å; F152-I181 HydrophobicContact CB-CD1 4.07Å; L166-I181 HydrophobicContact CD1-CD1 4.31Å; L166-I181 HydrophobicContact CD2-CD1 4.44Å; I181-V184 HydrophobicContact CD1-CB 4.35Å; I181-V184 HydrophobicContact CD1-CG2 3.85Å; I181-V184 HydrophobicContact CG1-CB 4.38Å; I181-V184 HydrophobicContact CG1-CG2 4.03Å; I181-V184 HydrophobicContact CG2-CB 4.12Å; I181-V198 HydrophobicContact CB-CG1 3.84Å; I181-V198 HydrophobicContact CG2-CG1 3.67Å; I181-L200 PolarHBondContact N-O 3.47Å; I181-F201 HydrophobicContact CG2-CD1 3.34Å; I181-F201 HydrophobicContact CG2-CE1 3.45Å; I181-F201 VanDerWaalsContact CG2-CE1 3.45Å; I181-F201 HydrophobicContact CG2-CG 4.14Å; I181-F201 HydrophobicContact CG2-CZ 4.31Å
182C93.1Very high96.4Very high15 Ų1527.5 Ų27.510%0.10114%0.141CC..SBendtrans-105.3152.4175.450.10000110.9L148 D150 V184 E202L148-C182 HydrophobicContact CD1-CB 4.01Å; D150-C182 PolarHBondContact OD1-SG 3.35Å; D150-C182 VanDerWaalsContact OD1-SG 3.34Å; C182-V184 PolarHBondContact O-N 3.07Å; C182-E202 WeakPolarHBondContact CA-OE2 3.1Å
183G91.1Very high96.4Very high20 Ų2024.1 Ų24.121%0.20613%0.125CC..SBendtrans7013.4176.200000115Q153 E202Q153-G183 WeakPolarHBondContact CB-O 3.25Å; G183-E202 PolarHBondContact N-OE2 3.28Å
184V95.6Very high96.5Very high0 Ų023.8 Ų23.80%012%0.123CC..  trans-124.6116.5176.6-179.80000109V158 I181 C182 E189 F201V158-V184 HydrophobicContact CG2-CG1 4.3Å; V158-V184 HydrophobicContact CG2-CG2 3.68Å; I181-V184 HydrophobicContact CD1-CB 4.35Å; I181-V184 HydrophobicContact CD1-CG2 3.85Å; I181-V184 HydrophobicContact CG1-CB 4.38Å; I181-V184 HydrophobicContact CG1-CG2 4.03Å; I181-V184 HydrophobicContact CG2-CB 4.12Å; C182-V184 PolarHBondContact O-N 3.07Å; V184-E189 HydrophobicContact CG1-CB 3.53Å; V184-F201 HydrophobicContact CG1-CD1 4.37Å; V184-F201 HydrophobicContact CG1-CE1 4.3Å
185S96.6Very high96.5Very high0 Ų024.5 Ų24.50%012%0.123CC..  trans-149-13-173.7-1630000113.8E202 F204 F205 Y317S185-E202 VanDerWaalsContact CB-O 3.31Å; S185-E202 WeakPolarHBondContact CB-O 3.24Å; S185-E202 PolarHBondContact OG-O 3.24Å; S185-F204 VanDerWaalsContact CB-CE1 3.48Å; S185-F204 VanDerWaalsContact CB-CZ 3.44Å; S185-F204 PolarHBondContact OG-N 3.06Å; S185-F205 WeakPolarHBondContact OG-CB 3.39Å; S185-F205 PolarHBondContact OG-N 2.88Å; S185-F205 VanDerWaalsContact OG-N 3.14Å; S185-Y317 VanDerWaalsContact O-CE2 3.3Å; S185-Y317 WeakPolarHBondContact O-CE2 3.35Å; S185-Y317 VanDerWaalsContact O-CZ 3.31Å; S185-Y317 PolarHBondContact O-OH 3.34Å; S185-Y317 PolarHBondContact OG-OH 3.06Å; S185-Y317 VanDerWaalsContact OG-OH 3.13Å
186R96.5Very high96.6Very high40 Ų4021 Ų2115%0.15110%0.104CC..SBendtrans-70.7141.4177.5-154.1173.970-1767.6110.5P156 D188 E189 V190 F205 F261P156-R186 PolarHBondContact O-NH1 2.9Å; R186-D188 VanDerWaalsContact C-N 3.32Å; R186-D188 VanDerWaalsContact CG-OD1 3.25Å; R186-D188 WeakPolarHBondContact CG-OD1 3.08Å; R186-D188 IonicContact CZ-OD1 3.44Å; R186-D188 IonicContact CZ-OD2 2.87Å; R186-D188 IonicContact NE-OD1 3.86Å; R186-D188 PolarHBondContact NE-OD1 3.44Å; R186-D188 IonicContact NE-OD2 3.9Å; R186-D188 PolarHBondContact NE-OD2 3.36Å; R186-D188 IonicContact NH2-OD1 3.56Å; R186-D188 IonicContact NH2-OD2 3.81Å; R186-D188 PolarHBondContact NH2-OD2 2.98Å; R186-D188 PolarHBondContact O-N 3.25Å; R186-E189 HydrophobicContact CB-CG 4.13Å; R186-E189 WeakPolarHBondContact CB-OE2 3.47Å; R186-E189 PolarHBondContact N-OE2 2.96Å; R186-E189 PolarHBondContact O-N 3.44Å; R186-E189 VanDerWaalsContact O-N 3.14Å; R186-V190 WeakPolarHBondContact O-CG2 3.46Å; R186-V190 PolarHBondContact O-N 3.32Å; R186-F205 HydrophobicContact CG-CD2 4.37Å; R186-F205 HydrophobicContact CG-CE2 3.98Å; R186-F205 HydrophobicContact CG-CZ 4.07Å; R186-F261 HydrophobicContact CG-CD2 4.17Å; R186-F261 HydrophobicContact CG-CE2 3.9Å
187P97.3Very high96.8Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-54.8-39-170.3-31.637.2000115.9L191 F205 F218 F261 F320 I340P187-L191 WeakPolarHBondContact O-CG 3.38Å; P187-L191 PolarHBondContact O-N 2.68Å; P187-F205 HydrophobicContact CG-CD1 4.48Å; P187-F205 HydrophobicContact CG-CE1 4.11Å; P187-F218 HydrophobicContact CB-CE2 4.28Å; P187-F218 HydrophobicContact CB-CZ 4.22Å; P187-F218 HydrophobicContact CG-CE1 3.9Å; P187-F218 HydrophobicContact CG-CE2 4.15Å; P187-F218 HydrophobicContact CG-CZ 3.63Å; P187-F261 HydrophobicContact CG-CD2 4.41Å; P187-F320 HydrophobicContact CB-CE1 3.88Å; P187-F320 HydrophobicContact CB-CE2 4.33Å; P187-F320 HydrophobicContact CB-CZ 3.74Å; P187-F320 HydrophobicContact CG-CE1 4.47Å; P187-I340 HydrophobicContact CB-CG2 4.04Å
188D95.6Very high96.9Very high17 Ų1714.3 Ų14.39%0.0917%0.071CC..Hα-helixtrans-66.5-45.2177.757.4-55.4000112.1R186 V190 L191 E192 F261 I340 M344R186-D188 VanDerWaalsContact C-N 3.32Å; R186-D188 VanDerWaalsContact CG-OD1 3.25Å; R186-D188 WeakPolarHBondContact CG-OD1 3.08Å; R186-D188 IonicContact CZ-OD1 3.44Å; R186-D188 IonicContact CZ-OD2 2.87Å; R186-D188 IonicContact NE-OD1 3.86Å; R186-D188 PolarHBondContact NE-OD1 3.44Å; R186-D188 IonicContact NE-OD2 3.9Å; R186-D188 PolarHBondContact NE-OD2 3.36Å; R186-D188 IonicContact NH2-OD1 3.56Å; R186-D188 IonicContact NH2-OD2 3.81Å; R186-D188 PolarHBondContact NH2-OD2 2.98Å; R186-D188 PolarHBondContact O-N 3.25Å; D188-V190 VanDerWaalsContact C-N 3.34Å; D188-V190 PolarHBondContact O-N 3.44Å; D188-L191 PolarHBondContact O-N 2.85Å; D188-E192 PolarHBondContact O-N 2.78Å; D188-E192 VanDerWaalsContact O-N 3.16Å; D188-F261 HydrophobicContact CB-CZ 4.42Å; D188-I340 HydrophobicContact CB-CG2 4.4Å; D188-M344 HydrophobicContact CB-SD 4.4Å
189E96.3Very high97Very high15 Ų1514.1 Ų14.17%0.077%0.07CC..Hα-helixtrans-65.4-40.2178.3-54.6178.99400111.8A157 V158 V184 R186 L191 E192 C193A157-E189 WeakPolarHBondContact CA-OE1 3.23Å; A157-E189 HydrophobicContact CB-CG 3.64Å; V158-E189 HydrophobicContact CG2-CB 4.49Å; V158-E189 WeakPolarHBondContact CG2-OE1 3.34Å; V158-E189 PolarHBondContact N-OE1 3.06Å; V184-E189 HydrophobicContact CG1-CB 3.53Å; R186-E189 HydrophobicContact CB-CG 4.13Å; R186-E189 WeakPolarHBondContact CB-OE2 3.47Å; R186-E189 PolarHBondContact N-OE2 2.96Å; R186-E189 PolarHBondContact O-N 3.44Å; R186-E189 VanDerWaalsContact O-N 3.14Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.98Å; E189-E192 PolarHBondContact O-N 2.89Å; E189-C193 WeakPolarHBondContact O-CB 3.42Å; E189-C193 PolarHBondContact O-N 2.85Å; E189-C193 PolarHBondContact O-SG 3.33Å; E189-C193 VanDerWaalsContact O-SG 3.39Å
190V98.1Very high97Very high0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-55.1-47.4175.8166.80000110R186 D188 C193 I194 F201 F320 F321 I324R186-V190 WeakPolarHBondContact O-CG2 3.46Å; R186-V190 PolarHBondContact O-N 3.32Å; D188-V190 VanDerWaalsContact C-N 3.34Å; D188-V190 PolarHBondContact O-N 3.44Å; V190-C193 PolarHBondContact O-N 3.43Å; V190-I194 HydrophobicContact CG1-CD1 3.65Å; V190-I194 HydrophobicContact CG1-CG1 4.38Å; V190-I194 WeakPolarHBondContact O-CG1 3.47Å; V190-I194 PolarHBondContact O-N 2.96Å; V190-F201 HydrophobicContact CB-CD1 4.4Å; V190-F201 HydrophobicContact CB-CE1 4.28Å; V190-F201 HydrophobicContact CG1-CD1 4.39Å; V190-F201 HydrophobicContact CG1-CD2 4.24Å; V190-F201 HydrophobicContact CG1-CE1 4.29Å; V190-F201 HydrophobicContact CG1-CE2 4.16Å; V190-F201 HydrophobicContact CG1-CG 4.37Å; V190-F201 HydrophobicContact CG1-CZ 4.18Å; V190-F201 HydrophobicContact CG2-CD1 3.81Å; V190-F201 HydrophobicContact CG2-CE1 4.15Å; V190-F201 HydrophobicContact CG2-CG 4.2Å; V190-F201 WeakPolarHBondContact O-CZ 3.5Å; V190-F320 HydrophobicContact CB-CE1 4.43Å; V190-F320 HydrophobicContact CG1-CE1 4.16Å; V190-F321 HydrophobicContact CG1-CE1 3.89Å; V190-F321 HydrophobicContact CG1-CE2 4.38Å; V190-F321 HydrophobicContact CG1-CZ 3.57Å; V190-F321 HydrophobicContact CG2-CZ 4.25Å; V190-I324 HydrophobicContact CG1-CD1 4.14Å
191L97.8Very high97Very high0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-63.6-44.7179.6-69.7168.4000112.3P187 D188 E189 C193 I194 E195 F320 I324 L333 K337 I340P187-L191 WeakPolarHBondContact O-CG 3.38Å; P187-L191 PolarHBondContact O-N 2.68Å; D188-L191 PolarHBondContact O-N 2.85Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.98Å; L191-C193 VanDerWaalsContact C-N 3.31Å; L191-C193 PolarHBondContact O-N 2.83Å; L191-I194 PolarHBondContact O-N 3.04Å; L191-E195 PolarHBondContact O-N 3.01Å; L191-E195 VanDerWaalsContact O-N 3.1Å; L191-F320 HydrophobicContact CD1-CE2 4.5Å; L191-F320 HydrophobicContact CD1-CZ 4.37Å; L191-F320 HydrophobicContact CD2-CZ 4.39Å; L191-F320 HydrophobicContact CG-CZ 4.12Å; L191-I324 HydrophobicContact CD2-CD1 4.13Å; L191-I324 HydrophobicContact CD2-CG1 3.97Å; L191-L333 HydrophobicContact CD2-CD1 3.86Å; L191-K337 HydrophobicContact CD1-CB 4.23Å; L191-K337 HydrophobicContact CD1-CG 4.31Å; L191-I340 HydrophobicContact CD1-CB 3.99Å; L191-I340 HydrophobicContact CD1-CG1 3.92Å; L191-I340 HydrophobicContact CD1-CG2 4.19Å
192E97.5Very high97Very high46 Ų4613.5 Ų13.522%0.2157%0.067CC..Hα-helixtrans-60.3-39.8176.7-69.6-66.9163.700112.4L163 D188 E189 R196 K337L163-E192 HydrophobicContact CD1-CB 3.94Å; L163-E192 HydrophobicContact CD1-CG 4.05Å; L163-E192 HydrophobicContact CD2-CB 3.8Å; D188-E192 PolarHBondContact O-N 2.78Å; D188-E192 VanDerWaalsContact O-N 3.16Å; E189-E192 PolarHBondContact O-N 2.89Å; E192-R196 WeakPolarHBondContact O-CD 3.42Å; E192-R196 WeakPolarHBondContact O-CG 3.43Å; E192-R196 PolarHBondContact O-NH1 3Å; E192-R196 IonicContact OE2-CZ 2.83Å; E192-R196 IonicContact OE2-NH1 3.77Å; E192-R196 PolarHBondContact OE2-NH1 3.14Å; E192-R196 IonicContact OE2-NH2 3.49Å; E192-R196 PolarHBondContact OE2-NH2 2.98Å; E192-K337 WeakPolarHBondContact OE1-CE 3.28Å; E192-K337 IonicContact OE1-NZ 2.71Å; E192-K337 PolarHBondContact OE1-NZ 3.16Å; E192-K337 IonicContact OE2-NZ 3.19Å; E192-K337 PolarHBondContact OE2-NZ 3.42Å
193C98.2Very high97.2Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-71.8-36.2177.4-71.90000112.5L166 E189 V190 L191 R196 G197 V198 F201L166-C193 HydrophobicContact CD2-CB 4.09Å; L166-C193 VanDerWaalsContact CD2-SG 3.6Å; E189-C193 WeakPolarHBondContact O-CB 3.42Å; E189-C193 PolarHBondContact O-N 2.85Å; E189-C193 PolarHBondContact O-SG 3.33Å; E189-C193 VanDerWaalsContact O-SG 3.39Å; V190-C193 PolarHBondContact O-N 3.43Å; L191-C193 VanDerWaalsContact C-N 3.31Å; L191-C193 PolarHBondContact O-N 2.83Å; C193-R196 CarbonylContact O-C 3.57Å; C193-R196 WeakPolarHBondContact O-CA 3.33Å; C193-R196 PolarHBondContact O-N 3.31Å; C193-R196 VanDerWaalsContact O-N 3.09Å; C193-G197 PolarHBondContact O-N 3.48Å; C193-V198 HydrophobicContact CB-CB 4.12Å; C193-V198 HydrophobicContact CB-CG2 3.96Å; C193-V198 WeakPolarHBondContact O-CB 3.19Å; C193-V198 WeakPolarHBondContact O-CG2 3.28Å; C193-V198 PolarHBondContact O-N 3.14Å; C193-V198 VanDerWaalsContact O-N 3.11Å; C193-F201 HydrophobicContact CB-CE1 3.56Å; C193-F201 HydrophobicContact CB-CZ 3.6Å
194I98.4Very high97.5Very high0 Ų012.4 Ų12.40%06%0.055CC..Hα-helixtrans-62.8-43.6176.1-72.9169000111.1C13 P32 V190 L191 R196 G197 F201 I324C13-I194 HydrophobicContact CB-CG2 3.99Å; P32-I194 HydrophobicContact CB-CD1 3.69Å; P32-I194 HydrophobicContact CB-CG1 3.84Å; P32-I194 HydrophobicContact CB-CG2 4.35Å; P32-I194 HydrophobicContact CG-CD1 3.91Å; P32-I194 HydrophobicContact CG-CG1 4.33Å; P32-I194 HydrophobicContact CG-CG2 4.11Å; V190-I194 HydrophobicContact CG1-CD1 3.65Å; V190-I194 HydrophobicContact CG1-CG1 4.38Å; V190-I194 WeakPolarHBondContact O-CG1 3.47Å; V190-I194 PolarHBondContact O-N 2.96Å; L191-I194 PolarHBondContact O-N 3.04Å; I194-R196 PolarHBondContact O-N 3.39Å; I194-R196 VanDerWaalsContact O-N 3.12Å; I194-G197 PolarHBondContact O-N 3.07Å; I194-F201 HydrophobicContact CD1-CE2 4.03Å; I194-F201 HydrophobicContact CD1-CZ 4.43Å; I194-F201 HydrophobicContact CG1-CE2 3.52Å; I194-F201 HydrophobicContact CG1-CZ 3.7Å; I194-I324 HydrophobicContact CD1-CD1 3.99Å; I194-I324 HydrophobicContact CD1-CG2 3.87Å
195E97.9Very high97.6Very high55 Ų5512.8 Ų12.826%0.2576%0.057SC..Hα-helixtrans-58.7-24.4174.8-73179.2166.300112.6C13 L191 G197 L333 K337C13-E195 VanDerWaalsContact SG-CA 3.57Å; L191-E195 PolarHBondContact O-N 3.01Å; L191-E195 VanDerWaalsContact O-N 3.1Å; E195-G197 VanDerWaalsContact C-N 3.34Å; E195-L333 HydrophobicContact CG-CD2 4.29Å; E195-K337 WeakPolarHBondContact OE1-CD 3.2Å; E195-K337 IonicContact OE1-NZ 3.39Å; E195-K337 PolarHBondContact OE1-NZ 3.35Å; E195-K337 IonicContact OE2-NZ 2.67Å; E195-K337 PolarHBondContact OE2-NZ 3.21Å
196R98.1Very high97.6Very high58 Ų5812.8 Ų12.822%0.2196%0.057CC..THydrogen-bonded Turntrans-98.214.6178.6-65.3168.6175.581.8-6.6112.8L163 L166 T170 E192 C193 I194L163-R196 WeakPolarHBondContact O-CD 3.48Å; L163-R196 PolarHBondContact O-NE 3.11Å; L166-R196 HydrophobicContact CD2-CB 4.05Å; L166-R196 HydrophobicContact CG-CB 4.21Å; T170-R196 WeakPolarHBondContact CB-O 3.45Å; T170-R196 WeakPolarHBondContact CG2-O 3.47Å; T170-R196 PolarHBondContact OG1-O 2.88Å; E192-R196 WeakPolarHBondContact O-CD 3.42Å; E192-R196 WeakPolarHBondContact O-CG 3.43Å; E192-R196 PolarHBondContact O-NH1 3Å; E192-R196 IonicContact OE2-CZ 2.83Å; E192-R196 IonicContact OE2-NH1 3.77Å; E192-R196 PolarHBondContact OE2-NH1 3.14Å; E192-R196 IonicContact OE2-NH2 3.49Å; E192-R196 PolarHBondContact OE2-NH2 2.98Å; C193-R196 CarbonylContact O-C 3.57Å; C193-R196 WeakPolarHBondContact O-CA 3.33Å; C193-R196 PolarHBondContact O-N 3.31Å; C193-R196 VanDerWaalsContact O-N 3.09Å; I194-R196 PolarHBondContact O-N 3.39Å; I194-R196 VanDerWaalsContact O-N 3.12Å
197G97.8Very high97.7Very high2 Ų212 Ų122%0.0215%0.054CC..THydrogen-bonded Turntrans80.826.7169.500000114.6R179 C193 I194 E195R179-G197 WeakPolarHBondContact CD-O 3.26Å; R179-G197 PolarHBondContact NH1-O 3.24Å; C193-G197 PolarHBondContact O-N 3.48Å; I194-G197 PolarHBondContact O-N 3.07Å; E195-G197 VanDerWaalsContact C-N 3.34Å
198V98.5Very high97.7Very high1 Ų113.1 Ų13.11%0.0066%0.059CC..  trans-81.7138.5167.6-178.50000110L149 L166 I181 C193 F201L149-V198 HydrophobicContact CD1-CG2 3.74Å; L166-V198 HydrophobicContact CD1-CG2 4.1Å; L166-V198 HydrophobicContact CD2-CG2 4.02Å; L166-V198 HydrophobicContact CG-CG2 4.35Å; I181-V198 HydrophobicContact CB-CG1 3.84Å; I181-V198 HydrophobicContact CG2-CG1 3.67Å; C193-V198 HydrophobicContact CB-CB 4.12Å; C193-V198 HydrophobicContact CB-CG2 3.96Å; C193-V198 WeakPolarHBondContact O-CB 3.19Å; C193-V198 WeakPolarHBondContact O-CG2 3.28Å; C193-V198 PolarHBondContact O-N 3.14Å; C193-V198 VanDerWaalsContact O-N 3.11Å; V198-F201 HydrophobicContact CB-CE2 4.38Å; V198-F201 HydrophobicContact CB-CZ 3.88Å; V198-F201 HydrophobicContact CG1-CE1 4.05Å; V198-F201 HydrophobicContact CG1-CE2 3.93Å; V198-F201 HydrophobicContact CG1-CZ 3.6Å
199D98.5Very high97.8Very high0 Ų012.3 Ų12.30%06%0.055CC..  trans-104.8-38.1-172.5-58.6-48.7000113.4R14 I31 P32 G33 P178 R179R14-D199 WeakPolarHBondContact CB-OD1 3.41Å; R14-D199 WeakPolarHBondContact CD-OD1 3.29Å; R14-D199 IonicContact CZ-OD1 2.71Å; R14-D199 IonicContact CZ-OD2 2.89Å; R14-D199 IonicContact NE-OD1 3.62Å; R14-D199 PolarHBondContact NE-OD1 3.37Å; R14-D199 IonicContact NE-OD2 2.75Å; R14-D199 PolarHBondContact NE-OD2 3.3Å; R14-D199 IonicContact NH2-OD1 2.75Å; R14-D199 IonicContact NH2-OD2 2.72Å; R14-D199 PolarHBondContact NH2-OD2 2.88Å; I31-D199 HydrophobicContact CB-CB 4.12Å; I31-D199 HydrophobicContact CD1-CB 4.28Å; I31-D199 HydrophobicContact CG2-CB 3.95Å; P32-D199 CarbonylContact C-O 3.42Å; P32-D199 VanDerWaalsContact CA-O 3.24Å; P32-D199 WeakPolarHBondContact CA-O 3.34Å; G33-D199 PolarHBondContact N-O 3.48Å; P178-D199 WeakPolarHBondContact CA-OD2 3.47Å; R179-D199 PolarHBondContact N-OD2 3.01Å; R179-D199 WeakPolarHBondContact O-CA 3.26Å; R179-D199 WeakPolarHBondContact O-CB 3.14Å; R179-D199 PolarHBondContact O-N 3.44Å
200L98.4Very high97.8Very high8 Ų811.9 Ų11.94%0.0425%0.053CC..EExtended strand (participates in β ladder)trans-132.8134.8-170-71.6173.6000112.7I18 V29 I31 G33 L35 R179 L180 I181I18-L200 HydrophobicContact CD1-CD1 3.87Å; V29-L200 HydrophobicContact CG1-CD2 4.01Å; I31-L200 HydrophobicContact CG2-CD2 4.07Å; I31-L200 HydrophobicContact CG2-CG 4.23Å; G33-L200 VanDerWaalsContact O-CA 3.31Å; G33-L200 WeakPolarHBondContact O-CA 3.49Å; L35-L200 HydrophobicContact CD2-CD1 4.5Å; L35-L200 HydrophobicContact CD2-CD2 4.46Å; R179-L200 PolarHBondContact O-N 3.24Å; L180-L200 WeakPolarHBondContact CA-O 3.46Å; L180-L200 HydrophobicContact CB-CB 4.49Å; L180-L200 HydrophobicContact CD1-CD1 4.47Å; L180-L200 HydrophobicContact CD2-CD1 4.48Å; L180-L200 HydrophobicContact CG-CB 3.97Å; L180-L200 HydrophobicContact CG-CD1 4.11Å; I181-L200 PolarHBondContact N-O 3.47Å
201F98.5Very high97.8Very high1 Ų116.3 Ų16.30%0.0047%0.074CC..EExtended strand (participates in β ladder)trans-123159.5-176.1-63.2-96.2000112.4G33 C34 L35 I181 V184 V190 C193 I194 V198 F321G33-F201 PolarHBondContact O-N 3.35Å; C34-F201 CarbonylContact C-O 3.54Å; C34-F201 WeakPolarHBondContact CA-O 3.45Å; C34-F201 HydrophobicContact CB-CB 4.44Å; C34-F201 WeakPolarHBondContact CB-O 3.49Å; L35-F201 PolarHBondContact N-O 3.32Å; I181-F201 HydrophobicContact CG2-CD1 3.34Å; I181-F201 HydrophobicContact CG2-CE1 3.45Å; I181-F201 VanDerWaalsContact CG2-CE1 3.45Å; I181-F201 HydrophobicContact CG2-CG 4.14Å; I181-F201 HydrophobicContact CG2-CZ 4.31Å; V184-F201 HydrophobicContact CG1-CD1 4.37Å; V184-F201 HydrophobicContact CG1-CE1 4.3Å; V190-F201 HydrophobicContact CB-CD1 4.4Å; V190-F201 HydrophobicContact CB-CE1 4.28Å; V190-F201 HydrophobicContact CG1-CD1 4.39Å; V190-F201 HydrophobicContact CG1-CD2 4.24Å; V190-F201 HydrophobicContact CG1-CE1 4.29Å; V190-F201 HydrophobicContact CG1-CE2 4.16Å; V190-F201 HydrophobicContact CG1-CG 4.37Å; V190-F201 HydrophobicContact CG1-CZ 4.18Å; V190-F201 HydrophobicContact CG2-CD1 3.81Å; V190-F201 HydrophobicContact CG2-CE1 4.15Å; V190-F201 HydrophobicContact CG2-CG 4.2Å; V190-F201 WeakPolarHBondContact O-CZ 3.5Å; C193-F201 HydrophobicContact CB-CE1 3.56Å; C193-F201 HydrophobicContact CB-CZ 3.6Å; I194-F201 HydrophobicContact CD1-CE2 4.03Å; I194-F201 HydrophobicContact CD1-CZ 4.43Å; I194-F201 HydrophobicContact CG1-CE2 3.52Å; I194-F201 HydrophobicContact CG1-CZ 3.7Å; V198-F201 HydrophobicContact CB-CE2 4.38Å; V198-F201 HydrophobicContact CB-CZ 3.88Å; V198-F201 HydrophobicContact CG1-CE1 4.05Å; V198-F201 HydrophobicContact CG1-CE2 3.93Å; V198-F201 HydrophobicContact CG1-CZ 3.6Å; F201-F321 HydrophobicContact CB-CZ 3.95Å; F201-F321 AromaticContact CD2-CE1 3.82Å; F201-F321 HydrophobicContact CD2-CE1 3.82Å; F201-F321 AromaticContact CD2-CZ 3.97Å; F201-F321 HydrophobicContact CD2-CZ 3.97Å; F201-F321 HydrophobicContact CG-CE1 4.42Å; F201-F321 HydrophobicContact CG-CZ 4.11Å
202E96.7Very high97.7Very high5 Ų518.4 Ų18.42%0.0238%0.082CC..EExtended strand (participates in β ladder)trans-85143.9169.7-59.3174.3137.900110Q62 P100 C182 G183 S185 F204Q62-E202 PolarHBondContact NE2-OE1 3.29Å; P100-E202 VanDerWaalsContact CB-OE2 3.26Å; P100-E202 WeakPolarHBondContact CB-OE2 3.1Å; P100-E202 WeakPolarHBondContact CG-OE2 3.49Å; C182-E202 WeakPolarHBondContact CA-OE2 3.1Å; G183-E202 PolarHBondContact N-OE2 3.28Å; S185-E202 VanDerWaalsContact CB-O 3.31Å; S185-E202 WeakPolarHBondContact CB-O 3.24Å; S185-E202 PolarHBondContact OG-O 3.24Å; E202-F204 HydrophobicContact CB-CD1 3.66Å; E202-F204 HydrophobicContact CB-CE1 4.07Å
203S97.5Very high97.6Very high0 Ų016.4 Ų16.40%07%0.073CC..  trans-102.141.8-179.480.30000113L35 Y37 P206L35-S203 VanDerWaalsContact O-CB 3.24Å; L35-S203 WeakPolarHBondContact O-CB 3.49Å; L35-S203 PolarHBondContact O-N 2.87Å; L35-S203 PolarHBondContact O-OG 2.97Å; Y37-S203 WeakPolarHBondContact CB-O 3.44Å; Y37-S203 WeakPolarHBondContact CB-OG 3.17Å; Y37-S203 PolarHBondContact N-OG 3.24Å; S203-P206 WeakPolarHBondContact O-CD 2.91Å; S203-P206 VanDerWaalsContact O-CG 3.24Å; S203-P206 WeakPolarHBondContact O-CG 3.35Å
204F96.8Very high97.7Very high13 Ų1316.4 Ų16.46%0.0577%0.073CC..  trans-79.8-22.4-17865.1-100.2000113.2Y37 P100 V101 S185 E202 Y207 Q208Y37-F204 HydrophobicContact CD1-CB 4.44Å; Y37-F204 HydrophobicContact CD2-CB 3.62Å; Y37-F204 HydrophobicContact CE2-CB 3.78Å; Y37-F204 HydrophobicContact CG-CB 3.96Å; P100-F204 HydrophobicContact CB-CD1 3.68Å; P100-F204 HydrophobicContact CB-CE1 3.81Å; P100-F204 HydrophobicContact CB-CG 4.31Å; P100-F204 HydrophobicContact CG-CB 4.17Å; P100-F204 HydrophobicContact CG-CD1 3.52Å; P100-F204 HydrophobicContact CG-CE1 4.17Å; P100-F204 HydrophobicContact CG-CG 4.01Å; V101-F204 HydrophobicContact CG2-CB 4.4Å; S185-F204 VanDerWaalsContact CB-CE1 3.48Å; S185-F204 VanDerWaalsContact CB-CZ 3.44Å; S185-F204 PolarHBondContact OG-N 3.06Å; E202-F204 HydrophobicContact CB-CD1 3.66Å; E202-F204 HydrophobicContact CB-CE1 4.07Å; F204-Y207 WeakPolarHBondContact O-CA 3.42Å; F204-Y207 WeakPolarHBondContact O-CB 3.37Å; F204-Y207 PolarHBondContact O-N 3.23Å; F204-Y207 VanDerWaalsContact O-N 3.08Å; F204-Q208 VanDerWaalsContact CD2-CD 3.49Å; F204-Q208 HydrophobicContact CD2-CG 4.28Å; F204-Q208 WeakPolarHBondContact O-CG 3.35Å; F204-Q208 PolarHBondContact O-N 3.19Å
205F97.5Very high97.7Very high7 Ų716.4 Ų16.43%0.0317%0.073CC..Hα-helixtrans-53.9-51177.1-179.9-117000114S185 R186 P187 Y207 Q208 V209 L216 T259 F261 Y317S185-F205 WeakPolarHBondContact OG-CB 3.39Å; S185-F205 PolarHBondContact OG-N 2.88Å; S185-F205 VanDerWaalsContact OG-N 3.14Å; R186-F205 HydrophobicContact CG-CD2 4.37Å; R186-F205 HydrophobicContact CG-CE2 3.98Å; R186-F205 HydrophobicContact CG-CZ 4.07Å; P187-F205 HydrophobicContact CG-CD1 4.48Å; P187-F205 HydrophobicContact CG-CE1 4.11Å; F205-Y207 PolarHBondContact O-N 3.14Å; F205-Q208 PolarHBondContact O-N 3.15Å; F205-Q208 VanDerWaalsContact O-N 3.1Å; F205-V209 HydrophobicContact CD1-CG2 4.41Å; F205-V209 HydrophobicContact CD2-CG2 4.36Å; F205-V209 HydrophobicContact CE1-CG2 4.17Å; F205-V209 HydrophobicContact CE2-CG2 4.09Å; F205-V209 HydrophobicContact CZ-CG2 3.99Å; F205-V209 VanDerWaalsContact O-CG2 3.23Å; F205-V209 WeakPolarHBondContact O-CG2 3.35Å; F205-V209 PolarHBondContact O-N 3.4Å; F205-L216 HydrophobicContact CD1-CD2 4.27Å; F205-L216 HydrophobicContact CE1-CD2 3.52Å; F205-L216 HydrophobicContact CZ-CD2 4.08Å; F205-T259 HydrophobicContact CE2-CG2 4.01Å; F205-T259 HydrophobicContact CZ-CG2 4.27Å; F205-F261 HydrophobicContact CZ-CB 4.48Å; F205-F261 HydrophobicContact CZ-CD2 4.22Å; F205-Y317 HydrophobicContact CB-CE2 4.37Å; F205-Y317 HydrophobicContact CD1-CD2 4.24Å; F205-Y317 AromaticContact CD1-CE2 4Å; F205-Y317 HydrophobicContact CD1-CE2 4Å
206P98.3Very high97.7Very high0 Ų013.8 Ų13.80%06%0.061CC..Hα-helixtrans-62.1-27.9176.223.8-35.9000113.6S203 T210 L216 M310 N313 F314 Y317S203-P206 WeakPolarHBondContact O-CD 2.91Å; S203-P206 VanDerWaalsContact O-CG 3.24Å; S203-P206 WeakPolarHBondContact O-CG 3.35Å; P206-T210 PolarHBondContact O-N 3.27Å; P206-T210 VanDerWaalsContact O-N 3.13Å; P206-T210 PolarHBondContact O-OG1 2.68Å; P206-L216 HydrophobicContact CB-CD1 4.12Å; P206-M310 HydrophobicContact CB-CE 4.1Å; P206-N313 HydrophobicContact CB-CB 3.74Å; P206-N313 WeakPolarHBondContact CB-O 3.24Å; P206-F314 HydrophobicContact CB-CD1 4.26Å; P206-F314 HydrophobicContact CG-CD1 3.84Å; P206-F314 HydrophobicContact CG-CE1 4Å; P206-Y317 HydrophobicContact CB-CG 4.43Å; P206-Y317 HydrophobicContact CG-CD1 4Å; P206-Y317 HydrophobicContact CG-CD2 4.37Å; P206-Y317 HydrophobicContact CG-CG 3.86Å
207Y97.8Very high97.7Very high23 Ų2312.8 Ų12.89%0.096%0.061CC..Hα-helixtrans-68.3-48.1171.7166-106.4000110.7Y37 P44 V101 F204 F205 V209 T210 E211 M310Y37-Y207 HydrophobicContact CD1-CD1 4.2Å; Y37-Y207 AromaticContact CD1-CG 3.97Å; Y37-Y207 HydrophobicContact CD1-CG 3.97Å; Y37-Y207 AromaticContact CE1-CD1 3.34Å; Y37-Y207 HydrophobicContact CE1-CD1 3.34Å; Y37-Y207 HydrophobicContact CE1-CD2 4.16Å; Y37-Y207 AromaticContact CE1-CE1 3.93Å; Y37-Y207 HydrophobicContact CE1-CE1 3.93Å; Y37-Y207 AromaticContact CE1-CG 3.48Å; Y37-Y207 HydrophobicContact CE1-CG 3.48Å; Y37-Y207 VanDerWaalsContact CE1-CG 3.48Å; Y37-Y207 AromaticContact CZ-CD1 3.87Å; P44-Y207 HydrophobicContact CB-CD2 3.74Å; P44-Y207 HydrophobicContact CB-CE2 3.83Å; P44-Y207 HydrophobicContact CG-CD2 3.76Å; P44-Y207 HydrophobicContact CG-CE2 4.08Å; P44-Y207 HydrophobicContact CG-CG 4.43Å; V101-Y207 HydrophobicContact CG2-CD1 4.43Å; V101-Y207 HydrophobicContact CG2-CE1 4.41Å; F204-Y207 WeakPolarHBondContact O-CA 3.42Å; F204-Y207 WeakPolarHBondContact O-CB 3.37Å; F204-Y207 PolarHBondContact O-N 3.23Å; F204-Y207 VanDerWaalsContact O-N 3.08Å; F205-Y207 PolarHBondContact O-N 3.14Å; Y207-V209 VanDerWaalsContact C-N 3.31Å; Y207-V209 PolarHBondContact O-N 2.67Å; Y207-T210 WeakPolarHBondContact O-CA 3.48Å; Y207-T210 VanDerWaalsContact O-CB 3.28Å; Y207-T210 WeakPolarHBondContact O-CB 3.31Å; Y207-T210 PolarHBondContact O-N 3.14Å; Y207-E211 HydrophobicContact CD1-CG 4.37Å; Y207-E211 HydrophobicContact CD2-CG 3.97Å; Y207-E211 HydrophobicContact CE1-CG 3.89Å; Y207-E211 HydrophobicContact CE2-CG 3.4Å; Y207-E211 VanDerWaalsContact CE2-CG 3.4Å; Y207-E211 WeakPolarHBondContact CE2-OE2 3.5Å; Y207-E211 HydrophobicContact CG-CG 4.41Å; Y207-E211 VanDerWaalsContact CZ-CD 3.47Å; Y207-E211 WeakPolarHBondContact O-CG 3.47Å; Y207-E211 PolarHBondContact O-N 3.45Å; Y207-E211 PolarHBondContact OH-OE2 3.3Å; Y207-M310 HydrophobicContact CD2-SD 4.24Å
208Q96.5Very high97.6Very high25 Ų2512.9 Ų12.912%0.1176%0.061CC..Hα-helixtrans-59.1-41.6177.2-64.8172-40.300112.4F204 F205 T210 E211 R212 Q256F204-Q208 VanDerWaalsContact CD2-CD 3.49Å; F204-Q208 HydrophobicContact CD2-CG 4.28Å; F204-Q208 WeakPolarHBondContact O-CG 3.35Å; F204-Q208 PolarHBondContact O-N 3.19Å; F205-Q208 PolarHBondContact O-N 3.15Å; F205-Q208 VanDerWaalsContact O-N 3.1Å; Q208-T210 VanDerWaalsContact C-N 3.28Å; Q208-T210 PolarHBondContact O-N 3.24Å; Q208-E211 PolarHBondContact O-N 2.95Å; Q208-R212 VanDerWaalsContact C-NH1 3.26Å; Q208-R212 WeakPolarHBondContact O-CG 3.38Å; Q208-R212 PolarHBondContact O-N 3.13Å; Q208-R212 PolarHBondContact O-NH1 2.59Å; Q208-Q256 VanDerWaalsContact OE1-OE1 3.06Å
209V97.9Very high97.5Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-55.6-44.6172.4174.30000110.9F205 Y207 R212 G213 C214 L216 E262F205-V209 HydrophobicContact CD1-CG2 4.41Å; F205-V209 HydrophobicContact CD2-CG2 4.36Å; F205-V209 HydrophobicContact CE1-CG2 4.17Å; F205-V209 HydrophobicContact CE2-CG2 4.09Å; F205-V209 HydrophobicContact CZ-CG2 3.99Å; F205-V209 VanDerWaalsContact O-CG2 3.23Å; F205-V209 WeakPolarHBondContact O-CG2 3.35Å; F205-V209 PolarHBondContact O-N 3.4Å; Y207-V209 VanDerWaalsContact C-N 3.31Å; Y207-V209 PolarHBondContact O-N 2.67Å; V209-R212 VanDerWaalsContact CA-CZ 3.5Å; V209-R212 VanDerWaalsContact O-CG 3.29Å; V209-R212 WeakPolarHBondContact O-CG 3.5Å; V209-G213 PolarHBondContact O-N 3.34Å; V209-C214 HydrophobicContact CG1-CB 3.83Å; V209-C214 WeakPolarHBondContact CG1-O 3.44Å; V209-C214 WeakPolarHBondContact O-CA 3.45Å; V209-C214 WeakPolarHBondContact O-CB 3.35Å; V209-C214 PolarHBondContact O-N 3.4Å; V209-L216 HydrophobicContact CG1-CD2 4.24Å; V209-L216 HydrophobicContact CG1-CG 4.12Å; V209-L216 HydrophobicContact CG2-CD2 3.68Å; V209-L216 HydrophobicContact CG2-CG 4.15Å; V209-E262 HydrophobicContact CG1-CB 4.23Å; V209-E262 WeakPolarHBondContact CG1-OE2 3.45Å
210T98.1Very high97.3Very high5 Ų515.5 Ų15.53%0.0318%0.075CC..Hα-helixtrans-64.5-47.7179.1-57.90000111.9P206 Y207 Q208 R212 G213 G306 L309 M310 N313P206-T210 PolarHBondContact O-N 3.27Å; P206-T210 VanDerWaalsContact O-N 3.13Å; P206-T210 PolarHBondContact O-OG1 2.68Å; Y207-T210 WeakPolarHBondContact O-CA 3.48Å; Y207-T210 VanDerWaalsContact O-CB 3.28Å; Y207-T210 WeakPolarHBondContact O-CB 3.31Å; Y207-T210 PolarHBondContact O-N 3.14Å; Q208-T210 VanDerWaalsContact C-N 3.28Å; Q208-T210 PolarHBondContact O-N 3.24Å; T210-R212 PolarHBondContact O-N 3.08Å; T210-G213 WeakPolarHBondContact O-CA 3.33Å; T210-G213 PolarHBondContact O-N 3.13Å; T210-G306 WeakPolarHBondContact CG2-O 3.25Å; T210-L309 HydrophobicContact CG2-CB 3.86Å; T210-M310 HydrophobicContact CG2-CB 4.06Å; T210-M310 HydrophobicContact CG2-SD 4.41Å; T210-N313 PolarHBondContact OG1-ND2 3.36Å
211E96.4Very high96.7Very high93 Ų9319.4 Ų19.444%0.43510%0.095SC..Hα-helixtrans-63.4-30.6-176.2-63.5-61.182.600112.5H45 Y207 Q208 G213H45-E211 IonicContact CD2-OE1 2.71Å; H45-E211 IonicContact CE1-OE1 3.61Å; H45-E211 IonicContact NE2-OE1 2.86Å; H45-E211 PolarHBondContact NE2-OE1 2.74Å; Y207-E211 HydrophobicContact CD1-CG 4.37Å; Y207-E211 HydrophobicContact CD2-CG 3.97Å; Y207-E211 HydrophobicContact CE1-CG 3.89Å; Y207-E211 HydrophobicContact CE2-CG 3.4Å; Y207-E211 VanDerWaalsContact CE2-CG 3.4Å; Y207-E211 WeakPolarHBondContact CE2-OE2 3.5Å; Y207-E211 HydrophobicContact CG-CG 4.41Å; Y207-E211 VanDerWaalsContact CZ-CD 3.47Å; Y207-E211 WeakPolarHBondContact O-CG 3.47Å; Y207-E211 PolarHBondContact O-N 3.45Å; Y207-E211 PolarHBondContact OH-OE2 3.3Å; Q208-E211 PolarHBondContact O-N 2.95Å; E211-G213 VanDerWaalsContact C-N 3.27Å; E211-G213 PolarHBondContact O-N 2.94Å
212R95.6Very high94.9Very high45 Ų4521.3 Ų21.317%0.1711%0.109CC..THydrogen-bonded Turntrans-81.9-2.3173.862.3-172.2168-107.13.3114Q208 V209 T210 C214 E262 K266Q208-R212 VanDerWaalsContact C-NH1 3.26Å; Q208-R212 WeakPolarHBondContact O-CG 3.38Å; Q208-R212 PolarHBondContact O-N 3.13Å; Q208-R212 PolarHBondContact O-NH1 2.59Å; V209-R212 VanDerWaalsContact CA-CZ 3.5Å; V209-R212 VanDerWaalsContact O-CG 3.29Å; V209-R212 WeakPolarHBondContact O-CG 3.5Å; T210-R212 PolarHBondContact O-N 3.08Å; R212-C214 HydrophobicContact CG-CB 4.09Å; R212-E262 IonicContact CZ-OE1 3.55Å; R212-E262 IonicContact CZ-OE2 2.77Å; R212-E262 VanDerWaalsContact CZ-OE2 3.28Å; R212-E262 IonicContact NE-OE1 3.88Å; R212-E262 PolarHBondContact NE-OE1 2.77Å; R212-E262 IonicContact NE-OE2 3.55Å; R212-E262 PolarHBondContact NE-OE2 3.06Å; R212-E262 VanDerWaalsContact NH2-CD 3.26Å; R212-E262 IonicContact NH2-OE1 2.74Å; R212-E262 PolarHBondContact NH2-OE1 2.88Å; R212-E262 IonicContact NH2-OE2 3.49Å; R212-E262 PolarHBondContact NH2-OE2 3.47Å; R212-K266 PolarHBondContact O-NZ 2.87Å
213G97.1Very high93Very high3 Ų330 Ų303%0.03115%0.149CC..THydrogen-bonded Turntrans7929.117900000113.3V209 T210 E211 L265V209-G213 PolarHBondContact O-N 3.34Å; T210-G213 WeakPolarHBondContact O-CA 3.33Å; T210-G213 PolarHBondContact O-N 3.13Å; E211-G213 VanDerWaalsContact C-N 3.27Å; E211-G213 PolarHBondContact O-N 2.94Å; G213-L265 PolarHBondContact O-N 3.44Å
214C98.4Very high90.7Very high1 Ų132.6 Ų32.61%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-108.1163.5-179.4-64.90000111.5V209 R212 E262 I263 N264 L309 N313V209-C214 HydrophobicContact CG1-CB 3.83Å; V209-C214 WeakPolarHBondContact CG1-O 3.44Å; V209-C214 WeakPolarHBondContact O-CA 3.45Å; V209-C214 WeakPolarHBondContact O-CB 3.35Å; V209-C214 PolarHBondContact O-N 3.4Å; R212-C214 HydrophobicContact CG-CB 4.09Å; C214-E262 HydrophobicContact CB-CB 4.26Å; C214-E262 HydrophobicContact CB-CG 4.15Å; C214-E262 WeakPolarHBondContact CB-OE2 3.33Å; C214-I263 CarbonylContact C-O 3.55Å; C214-I263 WeakPolarHBondContact CA-O 3.48Å; C214-I263 VanDerWaalsContact CB-O 3.3Å; C214-I263 WeakPolarHBondContact CB-O 3.35Å; C214-N264 VanDerWaalsContact SG-CA 3.55Å; C214-L309 WeakPolarHBondContact O-CD2 3.28Å; C214-N313 PolarHBondContact O-ND2 3.34Å; C214-N313 VanDerWaalsContact O-ND2 3.15Å
215A98.6Very high88.2Confident0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-125.7133.4174.500000110.7E262 I263 L265 L277 L309 N313A215-E262 CarbonylContact O-C 3.54Å; A215-E262 WeakPolarHBondContact O-CA 3.44Å; A215-E262 WeakPolarHBondContact O-CB 3.11Å; A215-I263 HydrophobicContact CB-CG1 4.12Å; A215-I263 PolarHBondContact N-O 2.78Å; A215-I263 PolarHBondContact O-N 3.38Å; A215-L265 HydrophobicContact CB-CD1 3.91Å; A215-L277 HydrophobicContact CB-CB 4.44Å; A215-L277 HydrophobicContact CB-CD1 3.99Å; A215-L277 HydrophobicContact CB-CD2 4.2Å; A215-L277 HydrophobicContact CB-CG 4.45Å; A215-L309 HydrophobicContact CB-CD2 3.86Å; A215-N313 WeakPolarHBondContact CA-OD1 3.4Å
216L98.6Very high85.9Confident0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-63.4132.6171.3-68.3177.1000110.1F205 P206 V209 F218 F261 E262 V278 H312 N313 H316 Y317F205-L216 HydrophobicContact CD1-CD2 4.27Å; F205-L216 HydrophobicContact CE1-CD2 3.52Å; F205-L216 HydrophobicContact CZ-CD2 4.08Å; P206-L216 HydrophobicContact CB-CD1 4.12Å; V209-L216 HydrophobicContact CG1-CD2 4.24Å; V209-L216 HydrophobicContact CG1-CG 4.12Å; V209-L216 HydrophobicContact CG2-CD2 3.68Å; V209-L216 HydrophobicContact CG2-CG 4.15Å; L216-F218 HydrophobicContact CB-CD1 4.38Å; L216-F218 HydrophobicContact CB-CE1 4.3Å; L216-F218 HydrophobicContact CD1-CE1 4.21Å; L216-F218 HydrophobicContact CD2-CD1 4.2Å; L216-F218 HydrophobicContact CD2-CE1 4.02Å; L216-F218 HydrophobicContact CG-CE1 4.41Å; L216-F261 HydrophobicContact CD2-CB 4.43Å; L216-E262 HydrophobicContact CD2-CB 4.39Å; L216-V278 WeakPolarHBondContact O-CG2 3.38Å; L216-H312 PolarHBondContact O-NE2 3.04Å; L216-N313 HydrophobicContact CD1-CB 4.39Å; L216-N313 PolarHBondContact N-OD1 3.05Å; L216-H316 HydrophobicContact CB-CB 4.28Å; L216-Y317 HydrophobicContact CD1-CD2 4.36Å
217T97.7Very high83.3Confident36 Ų3648.4 Ų48.422%0.22125%0.249CC..  trans-138.8-1.8-178.755.30000114.2F261 I263 V278T217-F261 PolarHBondContact N-O 3.45Å; T217-I263 HydrophobicContact CG2-CB 4.49Å; T217-I263 HydrophobicContact CG2-CD1 3.83Å; T217-I263 HydrophobicContact CG2-CG1 3.73Å; T217-I263 HydrophobicContact CG2-CG2 4.11Å; T217-V278 HydrophobicContact CG2-CG2 3.83Å
218F97.1Very high81Confident4 Ų452.1 Ų52.12%0.01827%0.267CS..  trans-59.7143.3176.673.6-85.7000112.1P187 L216 F220 F261 H316 F320 I340 Q343P187-F218 HydrophobicContact CB-CE2 4.28Å; P187-F218 HydrophobicContact CB-CZ 4.22Å; P187-F218 HydrophobicContact CG-CE1 3.9Å; P187-F218 HydrophobicContact CG-CE2 4.15Å; P187-F218 HydrophobicContact CG-CZ 3.63Å; L216-F218 HydrophobicContact CB-CD1 4.38Å; L216-F218 HydrophobicContact CB-CE1 4.3Å; L216-F218 HydrophobicContact CD1-CE1 4.21Å; L216-F218 HydrophobicContact CD2-CD1 4.2Å; L216-F218 HydrophobicContact CD2-CE1 4.02Å; L216-F218 HydrophobicContact CG-CE1 4.41Å; F218-F220 HydrophobicContact CD2-CD1 4.31Å; F218-F220 HydrophobicContact CE2-CB 4.41Å; F218-F220 AromaticContact CE2-CD1 3.84Å; F218-F220 HydrophobicContact CE2-CD1 3.84Å; F218-F220 HydrophobicContact CZ-CD1 4.37Å; F218-F261 HydrophobicContact CB-CB 4.13Å; F218-F261 HydrophobicContact CB-CD1 3.74Å; F218-F261 HydrophobicContact CB-CG 4.39Å; F218-F261 HydrophobicContact CD1-CB 3.76Å; F218-F261 HydrophobicContact CD1-CD1 4.33Å; F218-F261 HydrophobicContact CD1-CG 4.32Å; F218-F261 HydrophobicContact CG-CB 4.21Å; F218-F261 AromaticContact CG-CD1 3.99Å; F218-F261 HydrophobicContact CG-CD1 3.99Å; F218-F261 HydrophobicContact CG-CG 4.44Å; F218-F261 PolarHBondContact N-O 3.25Å; F218-H316 AromaticContact CD1-NE2 3.85Å; F218-H316 AromaticContact CE1-CD2 3.68Å; F218-H316 AromaticContact CE1-NE2 3.89Å; F218-H316 PolarHBondContact O-CE1 2.89Å; F218-H316 VanDerWaalsContact O-CE1 3.28Å; F218-H316 PolarHBondContact O-NE2 3.42Å; F218-F320 HydrophobicContact CE2-CB 4.21Å; F218-F320 AromaticContact CE2-CD2 3.9Å; F218-F320 HydrophobicContact CE2-CD2 3.9Å; F218-F320 HydrophobicContact CE2-CE2 4.45Å; F218-F320 HydrophobicContact CE2-CG 4.06Å; F218-F320 HydrophobicContact CZ-CB 4.05Å; F218-F320 HydrophobicContact CZ-CD2 4.37Å; F218-F320 HydrophobicContact CZ-CG 4.08Å; F218-I340 HydrophobicContact CD2-CD1 3.45Å; F218-I340 VanDerWaalsContact CD2-CD1 3.45Å; F218-I340 HydrophobicContact CE2-CD1 3.7Å; F218-Q343 VanDerWaalsContact CA-OE1 3.3Å
219T95.8Very high78.7Confident25 Ų2552 Ų5215%0.15327%0.268CS..  trans-86.8138.5179.5-56.80000110.4D221 L224 L339 I340 Q343T219-D221 HydrophobicContact CG2-CB 4.39Å; T219-L224 HydrophobicContact CG2-CD1 3.77Å; T219-L339 HydrophobicContact CG2-CD2 4.34Å; T219-I340 WeakPolarHBondContact O-CD1 3.38Å; T219-Q343 PolarHBondContact O-NE2 3.42Å
220F93.9Very high76.3Confident31 Ų3156.2 Ų56.214%0.13629%0.29CS..  trans-128.912.9174.850.8-107.3000112.8F218 H316 F320 S323 L336F218-F220 HydrophobicContact CD2-CD1 4.31Å; F218-F220 HydrophobicContact CE2-CB 4.41Å; F218-F220 AromaticContact CE2-CD1 3.84Å; F218-F220 HydrophobicContact CE2-CD1 3.84Å; F218-F220 HydrophobicContact CZ-CD1 4.37Å; F220-H316 AromaticContact CD1-NE2 3.9Å; F220-H316 AromaticContact CE1-CD2 3.71Å; F220-H316 AromaticContact CE1-CE1 3.73Å; F220-H316 AromaticContact CE1-NE2 3.48Å; F220-H316 WeakPolarHBondContact CE1-NE2 3.33Å; F220-H316 WeakPolarHBondContact CE1-O 3.34Å; F220-F320 HydrophobicContact CB-CD2 4Å; F220-F320 HydrophobicContact CD1-CB 3.86Å; F220-F320 HydrophobicContact CE1-CB 4.21Å; F220-F320 HydrophobicContact CG-CB 4.25Å; F220-F320 HydrophobicContact CG-CD2 4.49Å; F220-S323 PolarHBondContact O-OG 3.09Å; F220-L336 HydrophobicContact CB-CD1 4Å; F220-L336 WeakPolarHBondContact O-CD1 3.31Å
221D85.8Confident73.7Confident90 Ų9062.3 Ų62.348%0.48132%0.322SS..  trans-92.1110.7177.5-68-27.5000110.6T219 Q223 L224T219-D221 HydrophobicContact CG2-CB 4.39Å; D221-Q223 PolarHBondContact O-N 3.16Å; D221-L224 HydrophobicContact CB-CD1 4.13Å; D221-L224 HydrophobicContact CB-CG 4.48Å
222C61.3Low71.5Confident42 Ų4263 Ų6328%0.28433%0.325SS..THydrogen-bonded Turntrans-76.8-3.8179.1-62.30000113.8
223Q56.2Low69.1Low186 Ų18663.8 Ų63.887%0.86933%0.331SS*.THydrogen-bonded Turntrans-90.5-5.1-178-64.4-162.2-3.900114.1D221D221-Q223 PolarHBondContact O-N 3.16Å
224L50Low66.4Low56 Ų5667.8 Ų67.829%0.29335%0.351SS..SBendtrans-74.4129.9176.9-73162.4000109.7T219 D221 E228T219-L224 HydrophobicContact CG2-CD1 3.77Å; D221-L224 HydrophobicContact CB-CD1 4.13Å; D221-L224 HydrophobicContact CB-CG 4.48Å; L224-E228 WeakPolarHBondContact CD2-OE2 3.32Å
225N44.5Very low63.7Low104 Ų10470 Ų7056%0.55637%0.374SS*.  trans-57.9141.3174.6-80.2-29.9000109.4E227 E228 T229N225-E227 PolarHBondContact O-N 2.8Å; N225-E228 PolarHBondContact O-N 3Å; N225-T229 PolarHBondContact O-N 3.1Å; N225-T229 PolarHBondContact O-OG1 3.11Å
226P47.8Very low61.2Low95 Ų9574.9 Ų74.962%0.61740%0.399SS*.Hα-helixtrans-51.4-30.4179.7-26.332.2000113.9L230P226-L230 WeakPolarHBondContact O-CD1 3.28Å; P226-L230 VanDerWaalsContact O-CG 3.3Å; P226-L230 WeakPolarHBondContact O-CG 3.24Å; P226-L230 PolarHBondContact O-N 3.43Å
227E45.3Very low58Low153 Ų15381.3 Ų81.372%0.71543%0.429SS*.Hα-helixtrans-70.2-33.2178.5-63.4-176.4165.800113.5N225 L231N225-E227 PolarHBondContact O-N 2.8Å; E227-L231 WeakPolarHBondContact O-CG 3.27Å; E227-L231 PolarHBondContact O-N 3.36Å
228E48.8Very low54.8Low101 Ų10188 Ų8847%0.47246%0.458SS..Hα-helixtrans-75.9-34.1177.4-72.4-176.1155.700111.9L224 N225 L230 L231 Q232L224-E228 WeakPolarHBondContact CD2-OE2 3.32Å; N225-E228 PolarHBondContact O-N 3Å; E228-L230 VanDerWaalsContact C-N 3.35Å; E228-L231 PolarHBondContact O-N 2.88Å; E228-Q232 PolarHBondContact O-N 2.97Å
229T48.6Very low52Low23 Ų2394.8 Ų94.814%0.14149%0.488CS..Hα-helixtrans-64.8-39.7173.7-400000111.3N225 Q232 Q233 L339N225-T229 PolarHBondContact O-N 3.1Å; N225-T229 PolarHBondContact O-OG1 3.11Å; T229-Q232 PolarHBondContact O-N 2.95Å; T229-Q233 VanDerWaalsContact O-CG 3.29Å; T229-Q233 WeakPolarHBondContact O-CG 3.4Å; T229-Q233 PolarHBondContact O-N 3.43Å; T229-Q233 VanDerWaalsContact O-N 3.09Å; T229-L339 HydrophobicContact CG2-CD1 4.31Å
230L46.1Very low49.3Very low88 Ų8899.4 Ų99.446%0.46151%0.51SS..Hα-helixtrans-67.6-36.2177.8-73.9166.2000112.8P226 E228 Q232 Q233 N234P226-L230 WeakPolarHBondContact O-CD1 3.28Å; P226-L230 VanDerWaalsContact O-CG 3.3Å; P226-L230 WeakPolarHBondContact O-CG 3.24Å; P226-L230 PolarHBondContact O-N 3.43Å; E228-L230 VanDerWaalsContact C-N 3.35Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 3.27Å; L230-Q233 PolarHBondContact O-N 3.27Å; L230-N234 WeakPolarHBondContact O-CB 3.48Å; L230-N234 PolarHBondContact O-N 3Å; L230-N234 PolarHBondContact O-ND2 3.34Å
231L44.4Very low46.1Very low133 Ų133107.8 Ų107.870%0.69655%0.546SS*.Hα-helixtrans-66.2-34.7176.1-74.6165.3000112.3E227 E228E227-L231 WeakPolarHBondContact O-CG 3.27Å; E227-L231 PolarHBondContact O-N 3.36Å; E228-L231 PolarHBondContact O-N 2.88Å
232Q49.3Very low43.5Very low108 Ų108106.4 Ų106.451%0.50555%0.554SS.*Hα-helixtrans-72.6-35174.3-65.9-178.319.100112E228 T229 L230 I236E228-Q232 PolarHBondContact O-N 2.97Å; T229-Q232 PolarHBondContact O-N 2.95Å; L230-Q232 VanDerWaalsContact C-N 3.32Å; L230-Q232 PolarHBondContact O-N 3.27Å; Q232-I236 WeakPolarHBondContact O-CD1 3.27Å; Q232-I236 WeakPolarHBondContact O-CG1 3.4Å
233Q46.8Very low42.2Very low61 Ų61111.9 Ų111.929%0.28558%0.579SS.*Hα-helixtrans-78.2-35.9-179.5-72.2174.9-6.400113.9T229 L230 G235 I236 Q237T229-Q233 VanDerWaalsContact O-CG 3.29Å; T229-Q233 WeakPolarHBondContact O-CG 3.4Å; T229-Q233 PolarHBondContact O-N 3.43Å; T229-Q233 VanDerWaalsContact O-N 3.09Å; L230-Q233 PolarHBondContact O-N 3.27Å; Q233-G235 PolarHBondContact O-N 3.25Å; Q233-I236 WeakPolarHBondContact O-CA 3.48Å; Q233-I236 WeakPolarHBondContact O-CB 3.47Å; Q233-I236 PolarHBondContact O-N 3.35Å; Q233-Q237 PolarHBondContact O-N 2.94Å
234N39.7Very low41Very low86 Ų86110.7 Ų110.746%0.4658%0.579SS.*Hα-helixtrans-65.3-27.6178.5-73.4-19.2000112.5L230 I236L230-N234 WeakPolarHBondContact O-CB 3.48Å; L230-N234 PolarHBondContact O-N 3Å; L230-N234 PolarHBondContact O-ND2 3.34Å; N234-I236 PolarHBondContact O-N 2.88Å
235G41.2Very low40.2Very low48 Ų48117.2 Ų117.250%0.49561%0.608SS.*Hα-helixtrans-70.6-17.3170.100000114.4Q233Q233-G235 PolarHBondContact O-N 3.25Å
236I45.7Very low39.6Very low103 Ų103117.5 Ų117.553%0.52862%0.624SS.*Hα-helixtrans-95.3-41.4-178.4-61169000110.4Q232 Q233 N234 E238 K239 I240Q232-I236 WeakPolarHBondContact O-CD1 3.27Å; Q232-I236 WeakPolarHBondContact O-CG1 3.4Å; Q233-I236 WeakPolarHBondContact O-CA 3.48Å; Q233-I236 WeakPolarHBondContact O-CB 3.47Å; Q233-I236 PolarHBondContact O-N 3.35Å; N234-I236 PolarHBondContact O-N 2.88Å; I236-E238 PolarHBondContact O-N 2.88Å; I236-K239 PolarHBondContact O-N 3.37Å; I236-I240 HydrophobicContact CG2-CD1 4.05Å
237Q33.1Very low38.8Very low135 Ų135122.5 Ų122.563%0.63164%0.636SS**Hα-helixtrans-67.8-30.5-177-106.5177.3-0.400114.6Q233 K239Q233-Q237 PolarHBondContact O-N 2.94Å; Q237-K239 PolarHBondContact O-N 3.46Å
238E30.5Very low38.1Very low175 Ų175125.2 Ų125.282%0.81865%0.646SS**Hα-helixtrans-69.5-18.8176.1-73.9-164.1156.200113.5I236I236-E238 PolarHBondContact O-N 2.88Å
239K38Very low37.1Very low148 Ų148128.1 Ų128.164%0.64366%0.663SS**Hα-helixtrans-94.7-13.5-176.1-76.6-179.6177.9175.20115.1I236 Q237I236-K239 PolarHBondContact O-N 3.37Å; Q237-K239 PolarHBondContact O-N 3.46Å
240I38.1Very low36.3Very low121 Ų121136.2 Ų136.262%0.62170%0.699SS**Hα-helixtrans-83.3-19.8-173.6-64.4169.6000112.6I236 G242I236-I240 HydrophobicContact CG2-CD1 4.05Å; I240-G242 PolarHBondContact O-N 3.22Å
241K27.9Very low35.5Very low207 Ų207135.5 Ų135.590%0.971%0.706SS**THydrogen-bonded Turntrans-71.26.9-178.3-73.2-173.9176.9176.80115.7
242G31.1Very low34.7Very low62 Ų62136.4 Ų136.464%0.63972%0.717SS**THydrogen-bonded Turntrans-117.52.3-167.700000117.9I240I240-G242 PolarHBondContact O-N 3.22Å
243L33.8Very low33.8Very low157 Ų157134 Ų13482%0.82272%0.721SS**  trans-125.242.6-167.4-128.187.3000115.9
244D30.5Very low32.9Very low160 Ų160136.1 Ų136.186%0.85674%0.741SS**  trans-94.290.3162.3-80.9-29.1000110
245Q34Very low32.9Very low194 Ų194138 Ų13891%0.90775%0.751SS**  trans163.1105.8143.2-89.9162.754.600111.7
246A31.7Very low33.7Very low109 Ų109139.9 Ų139.990%0.90175%0.747SS**  trans-154.3144.7150.600000112.3
247K29.9Very low35.5Very low200 Ų200143.1 Ų143.187%0.8776%0.76SS**  trans-74.1154.9-161.5-74.4162.8170.2173.90114.9I249K247-I249 PolarHBondContact O-N 3.31Å
248K30.7Very low38.2Very low211 Ų211141 Ų14192%0.91775%0.752SS**  trans-45.7124.4162.9-73.4177.7173.1-179.80112.2
249I27.8Very low41.2Very low161 Ų161133.9 Ų133.983%0.82672%0.72SS**  trans-130.2130156.8-61.3179000106.7K247K247-I249 PolarHBondContact O-N 3.31Å
250E32.1Very low43.9Very low194 Ų194129.8 Ų129.891%0.90771%0.71SS**  trans-67.2133.8179.8-65.4173.3161.800111.2
251A28.5Very low46.7Very low72 Ų72124 Ų12460%0.59568%0.68SS**  trans-149.2124.5168.300000111.4
252T27.8Very low50Low153 Ų153114.5 Ų114.594%0.93964%0.639SS**  trans-69.1124.9166.733.50000110.9
253G30.4Very low53.2Low56 Ų56112.6 Ų112.658%0.57761%0.614SS**SBendtrans131.6144.3173.100000112.7N255G253-N255 PolarHBondContact O-N 2.76Å
254C29.4Very low56.2Low106 Ų106107 Ų10772%0.71659%0.585SS**  trans-5886.8-178-173.50000111.8Q256C254-Q256 PolarHBondContact O-N 2.87Å
255N38.5Very low59.4Low125 Ų12599.4 Ų99.467%0.66854%0.544SS*.  trans-87.388176.3-80.9-25.6000108.8G253 E257G253-N255 PolarHBondContact O-N 2.76Å; N255-E257 PolarHBondContact O-N 3.48Å
256Q58.8Low62.4Low88 Ų8894.7 Ų94.741%0.41152%0.521SS..PPolyproline II helixtrans-69.1119.2162-77.6-179.7-11.100108.6Q208 C254Q208-Q256 VanDerWaalsContact OE1-OE1 3.06Å; C254-Q256 PolarHBondContact O-N 2.87Å
257E82.3Confident65.5Low172 Ų17292.2 Ų92.280%0.80449%0.49SS*.PPolyproline II helixtrans-62.5159.1-175.4-61.8-172.4166.600112.1N255N255-E257 PolarHBondContact O-N 3.48Å
258M90.6Very high68.7Low91 Ų9190.5 Ų90.545%0.44848%0.483SS..PPolyproline II helixtrans-61.3136.5175.2-171.5-171.1110.100110.2E262 N264M258-E262 HydrophobicContact CG-CG 3.6Å; M258-N264 HydrophobicContact SD-CB 3.62Å
259T93.4Very high71.8Confident25 Ų2585.2 Ų85.215%0.15346%0.46CS..PPolyproline II helixtrans-94.8172.7176.868.70000111.7F205 F261 E262F205-T259 HydrophobicContact CE2-CG2 4.01Å; F205-T259 HydrophobicContact CZ-CG2 4.27Å; T259-F261 PolarHBondContact O-N 3.01Å; T259-F261 PolarHBondContact OG1-N 2.83Å; T259-E262 WeakPolarHBondContact CB-OE1 3.5Å; T259-E262 PolarHBondContact N-OE1 3.24Å; T259-E262 WeakPolarHBondContact O-CG 3.42Å; T259-E262 PolarHBondContact OG1-OE1 3.29Å
260S94.6Very high75.2Confident61 Ų6178.6 Ų78.643%0.42743%0.425SS..THydrogen-bonded Turntrans-75.7-9.6172.139.80000113.7E262 Q343 M344S260-E262 PolarHBondContact O-N 3.31Å; S260-Q343 VanDerWaalsContact CB-O 3.26Å; S260-Q343 WeakPolarHBondContact CB-O 3.18Å; S260-Q343 PolarHBondContact OG-O 3.38Å; S260-M344 VanDerWaalsContact OG-CA 3.22Å; S260-M344 WeakPolarHBondContact OG-CA 3.4Å; S260-M344 PolarHBondContact OG-O 2.77Å
261F96.9Very high78.3Confident1 Ų174.1 Ų74.10%0.00440%0.404CS..THydrogen-bonded Turntrans-78.3-3.5179.2-60.5-56.3000114.2R186 P187 D188 F205 L216 T217 F218 T259 I340 Q343 M344R186-F261 HydrophobicContact CG-CD2 4.17Å; R186-F261 HydrophobicContact CG-CE2 3.9Å; P187-F261 HydrophobicContact CG-CD2 4.41Å; D188-F261 HydrophobicContact CB-CZ 4.42Å; F205-F261 HydrophobicContact CZ-CB 4.48Å; F205-F261 HydrophobicContact CZ-CD2 4.22Å; L216-F261 HydrophobicContact CD2-CB 4.43Å; T217-F261 PolarHBondContact N-O 3.45Å; F218-F261 HydrophobicContact CB-CB 4.13Å; F218-F261 HydrophobicContact CB-CD1 3.74Å; F218-F261 HydrophobicContact CB-CG 4.39Å; F218-F261 HydrophobicContact CD1-CB 3.76Å; F218-F261 HydrophobicContact CD1-CD1 4.33Å; F218-F261 HydrophobicContact CD1-CG 4.32Å; F218-F261 HydrophobicContact CG-CB 4.21Å; F218-F261 AromaticContact CG-CD1 3.99Å; F218-F261 HydrophobicContact CG-CD1 3.99Å; F218-F261 HydrophobicContact CG-CG 4.44Å; F218-F261 PolarHBondContact N-O 3.25Å; T259-F261 PolarHBondContact O-N 3.01Å; T259-F261 PolarHBondContact OG1-N 2.83Å; F261-I340 HydrophobicContact CE1-CG2 3.83Å; F261-I340 HydrophobicContact CZ-CG2 4Å; F261-Q343 HydrophobicContact CE1-CB 4.48Å; F261-M344 HydrophobicContact CZ-CB 4.19Å; F261-M344 HydrophobicContact CZ-CG 4.3Å
262E97.1Very high81.6Confident7 Ų777.4 Ų77.43%0.03341%0.407CS..EExtended strand (participates in β ladder)trans-139.8159.7-167.166.5-164.2115.300113V209 R212 C214 A215 L216 M258 T259 S260V209-E262 HydrophobicContact CG1-CB 4.23Å; V209-E262 WeakPolarHBondContact CG1-OE2 3.45Å; R212-E262 IonicContact CZ-OE1 3.55Å; R212-E262 IonicContact CZ-OE2 2.77Å; R212-E262 VanDerWaalsContact CZ-OE2 3.28Å; R212-E262 IonicContact NE-OE1 3.88Å; R212-E262 PolarHBondContact NE-OE1 2.77Å; R212-E262 IonicContact NE-OE2 3.55Å; R212-E262 PolarHBondContact NE-OE2 3.06Å; R212-E262 VanDerWaalsContact NH2-CD 3.26Å; R212-E262 IonicContact NH2-OE1 2.74Å; R212-E262 PolarHBondContact NH2-OE1 2.88Å; R212-E262 IonicContact NH2-OE2 3.49Å; R212-E262 PolarHBondContact NH2-OE2 3.47Å; C214-E262 HydrophobicContact CB-CB 4.26Å; C214-E262 HydrophobicContact CB-CG 4.15Å; C214-E262 WeakPolarHBondContact CB-OE2 3.33Å; A215-E262 CarbonylContact O-C 3.54Å; A215-E262 WeakPolarHBondContact O-CA 3.44Å; A215-E262 WeakPolarHBondContact O-CB 3.11Å; L216-E262 HydrophobicContact CD2-CB 4.39Å; M258-E262 HydrophobicContact CG-CG 3.6Å; T259-E262 WeakPolarHBondContact CB-OE1 3.5Å; T259-E262 PolarHBondContact N-OE1 3.24Å; T259-E262 WeakPolarHBondContact O-CG 3.42Å; T259-E262 PolarHBondContact OG1-OE1 3.29Å; S260-E262 PolarHBondContact O-N 3.31Å
263I97.6Very high84.9Confident22 Ų2271.7 Ų71.711%0.11337%0.37CS..EExtended strand (participates in β ladder)trans-112.4139.417260.2172.6000110.7C214 A215 T217 L265 Y270C214-I263 CarbonylContact C-O 3.55Å; C214-I263 WeakPolarHBondContact CA-O 3.48Å; C214-I263 VanDerWaalsContact CB-O 3.3Å; C214-I263 WeakPolarHBondContact CB-O 3.35Å; A215-I263 HydrophobicContact CB-CG1 4.12Å; A215-I263 PolarHBondContact N-O 2.78Å; A215-I263 PolarHBondContact O-N 3.38Å; T217-I263 HydrophobicContact CG2-CB 4.49Å; T217-I263 HydrophobicContact CG2-CD1 3.83Å; T217-I263 HydrophobicContact CG2-CG1 3.73Å; T217-I263 HydrophobicContact CG2-CG2 4.11Å; I263-L265 HydrophobicContact CD1-CD2 4.15Å; I263-L265 PolarHBondContact O-N 3.41Å; I263-Y270 HydrophobicContact CB-CE2 4.18Å; I263-Y270 WeakPolarHBondContact CB-OH 3.3Å; I263-Y270 HydrophobicContact CD1-CE1 4.18Å; I263-Y270 VanDerWaalsContact CG2-OH 3.25Å; I263-Y270 WeakPolarHBondContact CG2-OH 3.46Å
264N97.8Very high88.1Confident39 Ų3976.1 Ų76.121%0.20937%0.374CS..EExtended strand (participates in β ladder)trans-89.2105.1174.7-175.5-7000111.7C214 M258 K266 E267 Y270C214-N264 VanDerWaalsContact SG-CA 3.55Å; M258-N264 HydrophobicContact SD-CB 3.62Å; N264-K266 PolarHBondContact O-N 3.26Å; N264-K266 VanDerWaalsContact OD1-CB 3.26Å; N264-K266 WeakPolarHBondContact OD1-CB 3.45Å; N264-K266 PolarHBondContact OD1-N 3.38Å; N264-E267 HydrophobicContact CB-CG 4.12Å; N264-E267 WeakPolarHBondContact O-CB 3.28Å; N264-E267 WeakPolarHBondContact O-CG 3.44Å; N264-E267 PolarHBondContact O-N 3.28Å; N264-E267 VanDerWaalsContact O-N 3.16Å; N264-Y270 VanDerWaalsContact O-CD2 3.22Å; N264-Y270 WeakPolarHBondContact O-CD2 3.5Å; N264-Y270 WeakPolarHBondContact O-CE2 3.43Å
265L97.4Very high91.4Very high0 Ų073.6 Ų73.60%035%0.353CS..THydrogen-bonded Turntrans-73.9-4.8-177.5-69.6159.5000113.2G213 A215 I263 E267 Y270 L277 R291 I294 H295 L298 L309G213-L265 PolarHBondContact O-N 3.44Å; A215-L265 HydrophobicContact CB-CD1 3.91Å; I263-L265 HydrophobicContact CD1-CD2 4.15Å; I263-L265 PolarHBondContact O-N 3.41Å; L265-E267 VanDerWaalsContact C-N 3.27Å; L265-Y270 HydrophobicContact CD2-CD2 4.34Å; L265-Y270 HydrophobicContact CD2-CG 4.23Å; L265-L277 HydrophobicContact CD1-CD2 3.61Å; L265-L277 HydrophobicContact CD2-CD2 3.96Å; L265-L277 HydrophobicContact CG-CD2 4.4Å; L265-R291 HydrophobicContact CD2-CB 3.91Å; L265-R291 HydrophobicContact CD2-CG 4.06Å; L265-I294 HydrophobicContact CD1-CB 4.13Å; L265-I294 HydrophobicContact CD1-CG2 3.65Å; L265-H295 WeakPolarHBondContact O-CA 3.49Å; L265-H295 WeakPolarHBondContact O-CB 3.31Å; L265-H295 PolarHBondContact O-ND1 2.9Å; L265-L298 HydrophobicContact CB-CD1 3.57Å; L265-L309 HydrophobicContact CD1-CD2 3.46Å; L265-L309 VanDerWaalsContact CD1-CD2 3.46Å
266K96.4Very high94.2Very high96 Ų9669.3 Ų69.342%0.41733%0.332SS..THydrogen-bonded Turntrans-76.4-16.1170.2-61.3173.8177.8158.60112.7R212 N264 L298 M299R212-K266 PolarHBondContact O-NZ 2.87Å; N264-K266 PolarHBondContact O-N 3.26Å; N264-K266 VanDerWaalsContact OD1-CB 3.26Å; N264-K266 WeakPolarHBondContact OD1-CB 3.45Å; N264-K266 PolarHBondContact OD1-N 3.38Å; K266-L298 HydrophobicContact CG-CB 4.44Å; K266-L298 HydrophobicContact CG-CD1 4.15Å; K266-M299 HydrophobicContact CB-CE 3.78Å; K266-M299 HydrophobicContact CG-CE 3.96Å
267E97Very high96.1Very high56 Ų5665.1 Ų65.126%0.26231%0.313SS..SBendtrans-69.2136.6179.1-67.5177.9-162.100111.9N264 L265 K269 Y270 H295N264-E267 HydrophobicContact CB-CG 4.12Å; N264-E267 WeakPolarHBondContact O-CB 3.28Å; N264-E267 WeakPolarHBondContact O-CG 3.44Å; N264-E267 PolarHBondContact O-N 3.28Å; N264-E267 VanDerWaalsContact O-N 3.16Å; L265-E267 VanDerWaalsContact C-N 3.27Å; E267-K269 HydrophobicContact CB-CG 4.17Å; E267-K269 PolarHBondContact O-N 2.88Å; E267-K269 VanDerWaalsContact OE2-CD 3.24Å; E267-K269 WeakPolarHBondContact OE2-CD 3.29Å; E267-K269 WeakPolarHBondContact OE2-CE 3.37Å; E267-K269 IonicContact OE2-NZ 2.66Å; E267-K269 PolarHBondContact OE2-NZ 2.82Å; E267-Y270 HydrophobicContact CB-CD2 4.17Å; E267-Y270 HydrophobicContact CB-CE2 4.4Å; E267-Y270 PolarHBondContact O-N 3.05Å; E267-Y270 VanDerWaalsContact O-N 3.13Å; E267-H295 PolarHBondContact O-CE1 3.48Å; E267-H295 PolarHBondContact O-ND1 3.29Å
268K97Very high96.8Very high165 Ų16558.2 Ų58.272%0.71728%0.283SS*.G310 helixtrans-58.7-22.6-179.5-68.5-170.5176.6-174.90114.1Y270 Q271K268-Y270 PolarHBondContact O-N 3.09Å; K268-Y270 VanDerWaalsContact O-N 3.12Å; K268-Q271 WeakPolarHBondContact O-CB 3.32Å; K268-Q271 WeakPolarHBondContact O-CG 3.46Å; K268-Q271 PolarHBondContact O-N 2.98Å; K268-Q271 VanDerWaalsContact O-N 3.09Å
269K97.3Very high97Very high100 Ų10062.2 Ų62.244%0.43529%0.293SS..G310 helixtrans-61.7-20178.876.7-171.2-171.7-155.70113.1E267E267-K269 HydrophobicContact CB-CG 4.17Å; E267-K269 PolarHBondContact O-N 2.88Å; E267-K269 VanDerWaalsContact OE2-CD 3.24Å; E267-K269 WeakPolarHBondContact OE2-CD 3.29Å; E267-K269 WeakPolarHBondContact OE2-CE 3.37Å; E267-K269 IonicContact OE2-NZ 2.66Å; E267-K269 PolarHBondContact OE2-NZ 2.82Å
270Y97.9Very high96.9Very high21 Ų2165.2 Ų65.28%0.08233%0.328CS..G310 helixtrans-94.9-2.8178.6-61.8-60.8000114I263 N264 L265 E267 K268 E272 D273 R291 A292I263-Y270 HydrophobicContact CB-CE2 4.18Å; I263-Y270 WeakPolarHBondContact CB-OH 3.3Å; I263-Y270 HydrophobicContact CD1-CE1 4.18Å; I263-Y270 VanDerWaalsContact CG2-OH 3.25Å; I263-Y270 WeakPolarHBondContact CG2-OH 3.46Å; N264-Y270 VanDerWaalsContact O-CD2 3.22Å; N264-Y270 WeakPolarHBondContact O-CD2 3.5Å; N264-Y270 WeakPolarHBondContact O-CE2 3.43Å; L265-Y270 HydrophobicContact CD2-CD2 4.34Å; L265-Y270 HydrophobicContact CD2-CG 4.23Å; E267-Y270 HydrophobicContact CB-CD2 4.17Å; E267-Y270 HydrophobicContact CB-CE2 4.4Å; E267-Y270 PolarHBondContact O-N 3.05Å; E267-Y270 VanDerWaalsContact O-N 3.13Å; K268-Y270 PolarHBondContact O-N 3.09Å; K268-Y270 VanDerWaalsContact O-N 3.12Å; Y270-E272 PolarHBondContact O-N 3.32Å; Y270-E272 VanDerWaalsContact O-N 3.15Å; Y270-D273 HydrophobicContact CD1-CB 4.1Å; Y270-D273 PolarHBondContact O-N 3.44Å; Y270-R291 HydrophobicContact CD1-CB 4.39Å; Y270-A292 WeakPolarHBondContact O-CA 3.46Å; Y270-A292 PolarHBondContact O-N 3.02Å
271Q97Very high96.9Very high100 Ų10063.4 Ų63.447%0.46732%0.316SS..THydrogen-bonded Turntrans-60.8-27.3-175.775.9-173-6.700114.1K268 A292 H295K268-Q271 WeakPolarHBondContact O-CB 3.32Å; K268-Q271 WeakPolarHBondContact O-CG 3.46Å; K268-Q271 PolarHBondContact O-N 2.98Å; K268-Q271 VanDerWaalsContact O-N 3.09Å; Q271-A292 WeakPolarHBondContact O-CB 3.26Å; Q271-H295 VanDerWaalsContact CA-CD2 3.46Å; Q271-H295 WeakPolarHBondContact CA-CD2 3.25Å
272E97.8Very high96.9Very high142 Ų14266 Ų6666%0.66433%0.333SS*.THydrogen-bonded Turntrans-124.616.8-180-77165.3-161.300111.4Y270 F274Y270-E272 PolarHBondContact O-N 3.32Å; Y270-E272 VanDerWaalsContact O-N 3.15Å; E272-F274 HydrophobicContact CB-CE2 4.47Å; E272-F274 WeakPolarHBondContact O-CD2 3.49Å; E272-F274 WeakPolarHBondContact O-CE2 3.46Å; E272-F274 PolarHBondContact O-N 3.03Å
273D97.9Very high96.9Very high32 Ų3265.6 Ų65.617%0.17133%0.332CS..  trans-84.1103.1174.8-172.6-11.3000109.9Y270 D275 R291 A292Y270-D273 HydrophobicContact CD1-CB 4.1Å; Y270-D273 PolarHBondContact O-N 3.44Å; D273-D275 VanDerWaalsContact C-N 3.31Å; D273-D275 VanDerWaalsContact OD1-CB 3.32Å; D273-D275 WeakPolarHBondContact OD1-CB 3.36Å; D273-D275 PolarHBondContact OD1-N 2.78Å; D273-R291 HydrophobicContact CB-CB 4.08Å; D273-R291 VanDerWaalsContact CG-CD 3.45Å; D273-R291 IonicContact OD1-NH1 3.98Å; D273-R291 WeakPolarHBondContact OD2-CD 3.32Å; D273-R291 IonicContact OD2-CZ 3.76Å; D273-R291 IonicContact OD2-NE 3.83Å; D273-R291 IonicContact OD2-NH1 2.87Å; D273-R291 PolarHBondContact OD2-NH1 3.49Å; D273-A292 VanDerWaalsContact O-CB 3.26Å; D273-A292 WeakPolarHBondContact O-CB 3.25Å; D273-A292 PolarHBondContact O-N 3.03Å
274F98.1Very high96.9Very high150 Ų15069.9 Ų69.966%0.65835%0.347SS*.  trans-87.67.1-178.9-61.4-75.8000114E272 T290 A292E272-F274 HydrophobicContact CB-CE2 4.47Å; E272-F274 WeakPolarHBondContact O-CD2 3.49Å; E272-F274 WeakPolarHBondContact O-CE2 3.46Å; E272-F274 PolarHBondContact O-N 3.03Å; F274-T290 HydrophobicContact CB-CG2 4.37Å; F274-T290 WeakPolarHBondContact O-CG2 3.14Å; F274-A292 HydrophobicContact CD1-CB 4.27Å; F274-A292 HydrophobicContact CE1-CB 4.22Å
275D97.9Very high96.9Very high52 Ų5268 Ų6828%0.27834%0.337SS..SBendtrans-72.2156.2170.8-77.9-24000111.4D273 R279 T290 R291D273-D275 VanDerWaalsContact C-N 3.31Å; D273-D275 VanDerWaalsContact OD1-CB 3.32Å; D273-D275 WeakPolarHBondContact OD1-CB 3.36Å; D273-D275 PolarHBondContact OD1-N 2.78Å; D275-R279 VanDerWaalsContact CG-NH2 3.33Å; D275-R279 IonicContact OD1-CZ 3.83Å; D275-R279 IonicContact OD1-NE 3.79Å; D275-R279 IonicContact OD1-NH2 3.12Å; D275-R279 PolarHBondContact OD1-NH2 2.94Å; D275-R279 VanDerWaalsContact OD1-NH2 3.12Å; D275-R279 IonicContact OD2-CZ 3.5Å; D275-R279 IonicContact OD2-NE 3.4Å; D275-R279 PolarHBondContact OD2-NE 2.97Å; D275-R279 IonicContact OD2-NH2 2.76Å; D275-R279 PolarHBondContact OD2-NH2 3.14Å; D275-T290 CarbonylContact O-C 3.57Å; D275-T290 WeakPolarHBondContact O-CA 3.5Å; D275-R291 WeakPolarHBondContact O-CG 3.16Å; D275-R291 PolarHBondContact O-N 3.03Å
276P98.3Very high97Very high35 Ų3568.8 Ų68.823%0.22734%0.342CS..  trans-65.6167.5167.430.9-37000110.8V278 R279 C286 R291P276-V278 VanDerWaalsContact C-N 3.33Å; P276-V278 PolarHBondContact O-N 2.79Å; P276-R279 HydrophobicContact CG-CG 4.19Å; P276-C286 HydrophobicContact CB-CB 4.07Å; P276-R291 PolarHBondContact O-NE 2.75Å; P276-R291 PolarHBondContact O-NH2 3.33Å
277L97.4Very high97Very high0 Ų070.4 Ų70.40%035%0.349CS..SBendtrans-54.8-51.3177.2-58-179.7000111A215 L265 R291 I294 L309 H312A215-L277 HydrophobicContact CB-CB 4.44Å; A215-L277 HydrophobicContact CB-CD1 3.99Å; A215-L277 HydrophobicContact CB-CD2 4.2Å; A215-L277 HydrophobicContact CB-CG 4.45Å; L265-L277 HydrophobicContact CD1-CD2 3.61Å; L265-L277 HydrophobicContact CD2-CD2 3.96Å; L265-L277 HydrophobicContact CG-CD2 4.4Å; L277-R291 HydrophobicContact CD2-CG 3.9Å; L277-R291 PolarHBondContact O-NE 2.75Å; L277-R291 PolarHBondContact O-NH2 3.23Å; L277-I294 HydrophobicContact CD2-CG1 4.3Å; L277-L309 HydrophobicContact CD1-CD2 4.21Å; L277-H312 HydrophobicContact CD1-CB 3.76Å; L277-H312 VanDerWaalsContact CD1-CG 3.49Å
278V97.8Very high97.1Very high28 Ų2872.3 Ų72.317%0.1736%0.361CS..SBendtrans-129.9128173.9176.80000109.1L216 T217 P276 C281L216-V278 WeakPolarHBondContact O-CG2 3.38Å; T217-V278 HydrophobicContact CG2-CG2 3.83Å; P276-V278 VanDerWaalsContact C-N 3.33Å; P276-V278 PolarHBondContact O-N 2.79Å; V278-C281 HydrophobicContact CB-CB 3.88Å; V278-C281 HydrophobicContact CG1-CB 4.17Å; V278-C281 WeakPolarHBondContact O-CB 3.24Å; V278-C281 PolarHBondContact O-N 3.45Å
279R94.2Very high97.1Very high175 Ų17566.4 Ų66.466%0.6634%0.336SS*.THydrogen-bonded Turntrans-67.2133.2175.4-68.9-175.4178.9-165.8-0.2109.6D275 P276 C281D275-R279 VanDerWaalsContact CG-NH2 3.33Å; D275-R279 IonicContact OD1-CZ 3.83Å; D275-R279 IonicContact OD1-NE 3.79Å; D275-R279 IonicContact OD1-NH2 3.12Å; D275-R279 PolarHBondContact OD1-NH2 2.94Å; D275-R279 VanDerWaalsContact OD1-NH2 3.12Å; D275-R279 IonicContact OD2-CZ 3.5Å; D275-R279 IonicContact OD2-NE 3.4Å; D275-R279 PolarHBondContact OD2-NE 2.97Å; D275-R279 IonicContact OD2-NH2 2.76Å; D275-R279 PolarHBondContact OD2-NH2 3.14Å; P276-R279 HydrophobicContact CG-CG 4.19Å; R279-C281 VanDerWaalsContact C-N 3.29Å; R279-C281 PolarHBondContact O-N 3.49Å
280G92.1Very high97.2Very high87 Ų8763.5 Ų63.590%0.89733%0.327SS*.THydrogen-bonded Turntrans83.7-7.5-177.100000115.1S282G280-S282 PolarHBondContact O-N 2.77Å
281C95.3Very high97.2Very high24 Ų2464.6 Ų64.616%0.16233%0.331CS..  trans-68.2132.4176.3178.80000111.6V278 R279 C283 C286V278-C281 HydrophobicContact CB-CB 3.88Å; V278-C281 HydrophobicContact CG1-CB 4.17Å; V278-C281 WeakPolarHBondContact O-CB 3.24Å; V278-C281 PolarHBondContact O-N 3.45Å; R279-C281 VanDerWaalsContact C-N 3.29Å; R279-C281 PolarHBondContact O-N 3.49Å; C281-C283 VanDerWaalsContact C-N 3.34Å; C281-C286 HydrophobicContact CB-CB 3.83Å; C281-C286 WeakPolarHBondContact O-CB 3.35Å
282S95.6Very high97.3Very high54 Ų5460.3 Ų60.338%0.37831%0.312SS..  trans-87.53.3-177.557.10000114.7G280 K287 E315G280-S282 PolarHBondContact O-N 2.77Å; S282-K287 VanDerWaalsContact O-CD 3.24Å; S282-K287 WeakPolarHBondContact O-CD 3.36Å; S282-K287 WeakPolarHBondContact O-CE 3.46Å; S282-K287 PolarHBondContact O-NZ 2.91Å; S282-E315 PolarHBondContact OG-OE1 2.83Å
283C97.6Very high97.3Very high0 Ų057.4 Ų57.40%030%0.296CS..SBendtrans-70.9158.5-173.881.70000111C281 C285 C286 K287 H312 E315C281-C283 VanDerWaalsContact C-N 3.34Å; C283-C285 PolarHBondContact O-N 2.74Å; C283-C286 PolarHBondContact O-N 3.06Å; C283-C286 PolarHBondContact SG-N 2.78Å; C283-C286 VanDerWaalsContact SG-SG 3.64Å; C283-K287 WeakPolarHBondContact O-CB 3.47Å; C283-K287 WeakPolarHBondContact O-CG 3.44Å; C283-K287 PolarHBondContact O-N 3.47Å; C283-H312 PolarHBondContact SG-ND1 3.32Å; C283-E315 VanDerWaalsContact CA-CD 3.45Å; C283-E315 WeakPolarHBondContact CA-OE1 3.43Å; C283-E315 HydrophobicContact CB-CB 3.85Å; C283-E315 VanDerWaalsContact CB-CD 3.42Å; C283-E315 HydrophobicContact CB-CG 4Å; C283-E315 PolarHBondContact N-OE1 3.48Å
284Y98.1Very high97.4Very high112 Ų11255.9 Ų55.944%0.43929%0.288SS..Hα-helixtrans-54.6-39.3179.2-179.5-90.1000112.6N288 H289 L308 M311Y284-N288 PolarHBondContact O-N 2.78Å; Y284-N288 PolarHBondContact O-ND2 3.07Å; Y284-H289 AromaticContact CE1-NE2 3.89Å; Y284-L308 HydrophobicContact CD1-CD2 3.88Å; Y284-L308 HydrophobicContact CE1-CD2 3.96Å; Y284-M311 HydrophobicContact CD1-CE 4.32Å; Y284-M311 HydrophobicContact CD1-SD 4.14Å; Y284-M311 HydrophobicContact CG-CE 3.93Å; Y284-M311 HydrophobicContact CG-SD 4.36Å
285C97.9Very high97.4Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-64.1-55.2179.2-174.30000111.4C283 K287 N288 H289 L308 H312C283-C285 PolarHBondContact O-N 2.74Å; C285-K287 VanDerWaalsContact C-N 3.26Å; C285-K287 PolarHBondContact O-N 3.01Å; C285-N288 PolarHBondContact O-N 3.46Å; C285-H289 WeakPolarHBondContact O-CA 3.37Å; C285-H289 WeakPolarHBondContact O-CB 3.41Å; C285-H289 PolarHBondContact O-N 2.72Å; C285-L308 HydrophobicContact CB-CB 4.4Å; C285-H312 HydrophobicContact CB-CB 4.22Å
286C97.9Very high97.4Very high15 Ų1551.9 Ų51.910%0.10127%0.269CS..Hα-helixtrans-66.1-25.8-178.1-69.20000113.7P276 C281 C283 H312P276-C286 HydrophobicContact CB-CB 4.07Å; C281-C286 HydrophobicContact CB-CB 3.83Å; C281-C286 WeakPolarHBondContact O-CB 3.35Å; C283-C286 PolarHBondContact O-N 3.06Å; C283-C286 PolarHBondContact SG-N 2.78Å; C283-C286 VanDerWaalsContact SG-SG 3.64Å; C286-H312 PolarHBondContact SG-ND1 3.12Å
287K97.8Very high97.4Very high130 Ų13050.7 Ų50.757%0.56526%0.261SS*.Hα-helixtrans-72.7-28.5175.5-79.6175.1171.11570114.1S282 C283 C285S282-K287 VanDerWaalsContact O-CD 3.24Å; S282-K287 WeakPolarHBondContact O-CD 3.36Å; S282-K287 WeakPolarHBondContact O-CE 3.46Å; S282-K287 PolarHBondContact O-NZ 2.91Å; C283-K287 WeakPolarHBondContact O-CB 3.47Å; C283-K287 WeakPolarHBondContact O-CG 3.44Å; C283-K287 PolarHBondContact O-N 3.47Å; C285-K287 VanDerWaalsContact C-N 3.26Å; C285-K287 PolarHBondContact O-N 3.01Å
288N98.1Very high97.4Very high97 Ų9752 Ų5252%0.51927%0.268SS..Hα-helixtrans-123.6-18.1-167.6-61.5-71.1000114.3Y284 C285Y284-N288 PolarHBondContact O-N 2.78Å; Y284-N288 PolarHBondContact O-ND2 3.07Å; C285-N288 PolarHBondContact O-N 3.46Å
289H98.4Very high97.4Very high40 Ų4055.1 Ų55.119%0.18528%0.281CS..  trans-133.4156.5-167.6-59.5-57.2000112.4Y284 C285 Y293 I294Y284-H289 AromaticContact CE1-NE2 3.89Å; C285-H289 WeakPolarHBondContact O-CA 3.37Å; C285-H289 WeakPolarHBondContact O-CB 3.41Å; C285-H289 PolarHBondContact O-N 2.72Å; H289-Y293 HydrophobicContact CB-CD1 3.83Å; H289-Y293 HydrophobicContact CB-CE1 4.5Å; H289-Y293 AromaticContact CE1-CE1 3.64Å; H289-Y293 AromaticContact CG-CD1 3.67Å; H289-Y293 AromaticContact CG-CE1 3.86Å; H289-Y293 AromaticContact ND1-CD1 3.38Å; H289-Y293 WeakPolarHBondContact ND1-CD1 3.49Å; H289-Y293 AromaticContact ND1-CE1 3.33Å; H289-Y293 VanDerWaalsContact ND1-CE1 3.33Å; H289-Y293 WeakPolarHBondContact ND1-CE1 3.49Å; H289-I294 HydrophobicContact CB-CD1 4.4Å
290T98.6Very high97.5Very high39 Ų3949.9 Ų49.924%0.23927%0.269CS..  trans-108.9163.5-179.764.80000111.3F274 D275 A292 Y293 I294F274-T290 HydrophobicContact CB-CG2 4.37Å; F274-T290 WeakPolarHBondContact O-CG2 3.14Å; D275-T290 CarbonylContact O-C 3.57Å; D275-T290 WeakPolarHBondContact O-CA 3.5Å; T290-A292 VanDerWaalsContact C-N 3.28Å; T290-A292 PolarHBondContact O-N 3.36Å; T290-Y293 PolarHBondContact O-N 2.81Å; T290-Y293 VanDerWaalsContact O-N 3.15Å; T290-Y293 PolarHBondContact OG1-N 3.47Å; T290-I294 PolarHBondContact O-N 3.26Å; T290-I294 VanDerWaalsContact O-N 3.14Å
291R98.6Very high97.7Very high45 Ų4552.6 Ų52.617%0.1726%0.263CS..Hα-helixtrans-57.4-41.3172.9-68.7162.9-178.8179.80.7111.7L265 Y270 D273 D275 P276 L277 Y293 I294 H295L265-R291 HydrophobicContact CD2-CB 3.91Å; L265-R291 HydrophobicContact CD2-CG 4.06Å; Y270-R291 HydrophobicContact CD1-CB 4.39Å; D273-R291 HydrophobicContact CB-CB 4.08Å; D273-R291 VanDerWaalsContact CG-CD 3.45Å; D273-R291 IonicContact OD1-NH1 3.98Å; D273-R291 WeakPolarHBondContact OD2-CD 3.32Å; D273-R291 IonicContact OD2-CZ 3.76Å; D273-R291 IonicContact OD2-NE 3.83Å; D273-R291 IonicContact OD2-NH1 2.87Å; D273-R291 PolarHBondContact OD2-NH1 3.49Å; D275-R291 WeakPolarHBondContact O-CG 3.16Å; D275-R291 PolarHBondContact O-N 3.03Å; P276-R291 PolarHBondContact O-NE 2.75Å; P276-R291 PolarHBondContact O-NH2 3.33Å; L277-R291 HydrophobicContact CD2-CG 3.9Å; L277-R291 PolarHBondContact O-NE 2.75Å; L277-R291 PolarHBondContact O-NH2 3.23Å; R291-Y293 VanDerWaalsContact C-N 3.32Å; R291-Y293 PolarHBondContact O-N 2.99Å; R291-I294 PolarHBondContact O-N 3.1Å; R291-H295 WeakPolarHBondContact O-CB 3.48Å; R291-H295 PolarHBondContact O-N 2.79Å
292A98.3Very high97.8Very high9 Ų956.7 Ų56.77%0.07428%0.28CS..Hα-helixtrans-58.9-40.3174.800000113Y270 Q271 D273 F274 T290 H295 H296Y270-A292 WeakPolarHBondContact O-CA 3.46Å; Y270-A292 PolarHBondContact O-N 3.02Å; Q271-A292 WeakPolarHBondContact O-CB 3.26Å; D273-A292 VanDerWaalsContact O-CB 3.26Å; D273-A292 WeakPolarHBondContact O-CB 3.25Å; D273-A292 PolarHBondContact O-N 3.03Å; F274-A292 HydrophobicContact CD1-CB 4.27Å; F274-A292 HydrophobicContact CE1-CB 4.22Å; T290-A292 VanDerWaalsContact C-N 3.28Å; T290-A292 PolarHBondContact O-N 3.36Å; A292-H295 PolarHBondContact O-N 3.3Å; A292-H296 WeakPolarHBondContact O-CB 3.4Å; A292-H296 PolarHBondContact O-N 3.4Å
293Y98.6Very high97.8Very high82 Ų8261.5 Ų61.532%0.32230%0.301SS..Hα-helixtrans-66.5-44.5176.5179.5-109.5000111.8H289 T290 R291 H296 L297 L308H289-Y293 HydrophobicContact CB-CD1 3.83Å; H289-Y293 HydrophobicContact CB-CE1 4.5Å; H289-Y293 AromaticContact CE1-CE1 3.64Å; H289-Y293 AromaticContact CG-CD1 3.67Å; H289-Y293 AromaticContact CG-CE1 3.86Å; H289-Y293 AromaticContact ND1-CD1 3.38Å; H289-Y293 WeakPolarHBondContact ND1-CD1 3.49Å; H289-Y293 AromaticContact ND1-CE1 3.33Å; H289-Y293 VanDerWaalsContact ND1-CE1 3.33Å; H289-Y293 WeakPolarHBondContact ND1-CE1 3.49Å; T290-Y293 PolarHBondContact O-N 2.81Å; T290-Y293 VanDerWaalsContact O-N 3.15Å; T290-Y293 PolarHBondContact OG1-N 3.47Å; R291-Y293 VanDerWaalsContact C-N 3.32Å; R291-Y293 PolarHBondContact O-N 2.99Å; Y293-H296 WeakPolarHBondContact O-CB 3.26Å; Y293-H296 PolarHBondContact O-N 2.79Å; Y293-L297 HydrophobicContact CD1-CD1 4.07Å; Y293-L297 HydrophobicContact CD1-CG 4.5Å; Y293-L297 HydrophobicContact CE1-CD1 3.53Å; Y293-L297 HydrophobicContact CE1-CG 4.13Å; Y293-L297 HydrophobicContact CE2-CD2 4.3Å; Y293-L297 HydrophobicContact CE2-CG 4.34Å; Y293-L297 WeakPolarHBondContact O-CG 3.36Å; Y293-L297 PolarHBondContact O-N 3.36Å; Y293-L308 HydrophobicContact CE1-CD1 3.99Å
294I98.4Very high97.8Very high0 Ų065.1 Ų65.10%032%0.319CS..Hα-helixtrans-66.5-40.5177.1-53.3-57.4000111.3L265 L277 H289 T290 R291 H296 L297 L298 L308 L309L265-I294 HydrophobicContact CD1-CB 4.13Å; L265-I294 HydrophobicContact CD1-CG2 3.65Å; L277-I294 HydrophobicContact CD2-CG1 4.3Å; H289-I294 HydrophobicContact CB-CD1 4.4Å; T290-I294 PolarHBondContact O-N 3.26Å; T290-I294 VanDerWaalsContact O-N 3.14Å; R291-I294 PolarHBondContact O-N 3.1Å; I294-H296 VanDerWaalsContact C-N 3.31Å; I294-H296 PolarHBondContact O-N 2.79Å; I294-L297 HydrophobicContact CD1-CD1 4.4Å; I294-L297 PolarHBondContact O-N 2.93Å; I294-L298 HydrophobicContact CG2-CD1 4.25Å; I294-L298 WeakPolarHBondContact O-CG 3.45Å; I294-L298 PolarHBondContact O-N 2.55Å; I294-L308 HydrophobicContact CD1-CB 3.87Å; I294-L308 HydrophobicContact CD1-CD1 3.49Å; I294-L308 VanDerWaalsContact CD1-CD1 3.49Å; I294-L308 HydrophobicContact CD1-CG 4.34Å; I294-L309 HydrophobicContact CG2-CD1 4.22Å; I294-L309 HydrophobicContact CG2-CD2 4.09Å; I294-L309 HydrophobicContact CG2-CG 4.04Å
295H98.4Very high97.8Very high14 Ų1459.9 Ų59.97%0.06530%0.299CS..Hα-helixtrans-54.7-49171.7175.283.1000110.8L265 E267 Q271 R291 A292 L297 L298 M299L265-H295 WeakPolarHBondContact O-CA 3.49Å; L265-H295 WeakPolarHBondContact O-CB 3.31Å; L265-H295 PolarHBondContact O-ND1 2.9Å; E267-H295 PolarHBondContact O-CE1 3.48Å; E267-H295 PolarHBondContact O-ND1 3.29Å; Q271-H295 VanDerWaalsContact CA-CD2 3.46Å; Q271-H295 WeakPolarHBondContact CA-CD2 3.25Å; R291-H295 WeakPolarHBondContact O-CB 3.48Å; R291-H295 PolarHBondContact O-N 2.79Å; A292-H295 PolarHBondContact O-N 3.3Å; H295-L297 PolarHBondContact O-N 3.22Å; H295-L298 PolarHBondContact O-N 3.13Å; H295-M299 WeakPolarHBondContact NE2-CG 3.48Å; H295-M299 WeakPolarHBondContact O-CG 3.44Å; H295-M299 PolarHBondContact O-N 3.42Å
296H98.4Very high97.8Very high104 Ų10460.7 Ų60.748%0.48131%0.308SS..Hα-helixtrans-57.1-50.8177176.273.7000111.8A292 Y293 I294 L298 M299 T300A292-H296 WeakPolarHBondContact O-CB 3.4Å; A292-H296 PolarHBondContact O-N 3.4Å; Y293-H296 WeakPolarHBondContact O-CB 3.26Å; Y293-H296 PolarHBondContact O-N 2.79Å; I294-H296 VanDerWaalsContact C-N 3.31Å; I294-H296 PolarHBondContact O-N 2.79Å; H296-L298 VanDerWaalsContact C-N 3.27Å; H296-L298 PolarHBondContact O-N 2.78Å; H296-M299 PolarHBondContact O-N 2.9Å; H296-M299 VanDerWaalsContact O-N 3.07Å; H296-T300 VanDerWaalsContact CE1-CG2 3.45Å; H296-T300 WeakPolarHBondContact CE1-CG2 3.42Å; H296-T300 WeakPolarHBondContact O-CG2 3.4Å; H296-T300 PolarHBondContact O-N 3.33Å; H296-T300 PolarHBondContact O-OG1 2.91Å; H296-T300 VanDerWaalsContact O-OG1 3.06Å
297L98.4Very high97.8Very high10 Ų1061.8 Ų61.85%0.05231%0.314CS..Hα-helixtrans-57.4-40.2178.1-67.4178.7000112.4Y293 I294 H295 T300 N301 E302 L304 A305 L308Y293-L297 HydrophobicContact CD1-CD1 4.07Å; Y293-L297 HydrophobicContact CD1-CG 4.5Å; Y293-L297 HydrophobicContact CE1-CD1 3.53Å; Y293-L297 HydrophobicContact CE1-CG 4.13Å; Y293-L297 HydrophobicContact CE2-CD2 4.3Å; Y293-L297 HydrophobicContact CE2-CG 4.34Å; Y293-L297 WeakPolarHBondContact O-CG 3.36Å; Y293-L297 PolarHBondContact O-N 3.36Å; I294-L297 HydrophobicContact CD1-CD1 4.4Å; I294-L297 PolarHBondContact O-N 2.93Å; H295-L297 PolarHBondContact O-N 3.22Å; L297-T300 PolarHBondContact O-OG1 3.43Å; L297-N301 PolarHBondContact O-N 2.99Å; L297-E302 HydrophobicContact CB-CB 4.21Å; L297-E302 HydrophobicContact CD2-CB 3.85Å; L297-E302 HydrophobicContact CD2-CG 4.15Å; L297-E302 PolarHBondContact O-N 2.94Å; L297-L304 HydrophobicContact CD1-CB 4.26Å; L297-L304 HydrophobicContact CD1-CD2 4.11Å; L297-L304 HydrophobicContact CD1-CG 4.05Å; L297-A305 HydrophobicContact CB-CB 3.81Å; L297-L308 HydrophobicContact CD1-CD1 3.9Å
298L97.4Very high97.8Very high27 Ų2755.7 Ų55.714%0.14129%0.287CS..Hα-helixtrans-66.2-41.8175.5-70.9169000112L265 K266 I294 H295 H296 T300 N301 A305 L309L265-L298 HydrophobicContact CB-CD1 3.57Å; K266-L298 HydrophobicContact CG-CB 4.44Å; K266-L298 HydrophobicContact CG-CD1 4.15Å; I294-L298 HydrophobicContact CG2-CD1 4.25Å; I294-L298 WeakPolarHBondContact O-CG 3.45Å; I294-L298 PolarHBondContact O-N 2.55Å; H295-L298 PolarHBondContact O-N 3.13Å; H296-L298 VanDerWaalsContact C-N 3.27Å; H296-L298 PolarHBondContact O-N 2.78Å; L298-T300 VanDerWaalsContact C-N 3.34Å; L298-N301 PolarHBondContact O-N 2.86Å; L298-A305 HydrophobicContact CD2-CB 3.6Å; L298-A305 HydrophobicContact CG-CB 3.84Å; L298-L309 HydrophobicContact CD1-CD1 4.42Å; L298-L309 HydrophobicContact CD2-CD1 4.39Å
299M97.5Very high97.8Very high93 Ų9351.1 Ų51.146%0.45826%0.263SS..Hα-helixtrans-70.1-30.8179.3-68-53.196.100112.7K266 H295 H296 N301K266-M299 HydrophobicContact CB-CE 3.78Å; K266-M299 HydrophobicContact CG-CE 3.96Å; H295-M299 WeakPolarHBondContact NE2-CG 3.48Å; H295-M299 WeakPolarHBondContact O-CG 3.44Å; H295-M299 PolarHBondContact O-N 3.42Å; H296-M299 PolarHBondContact O-N 2.9Å; H296-M299 VanDerWaalsContact O-N 3.07Å; M299-N301 VanDerWaalsContact C-N 3.29Å
300T97Very high97.9Very high65 Ų6549.2 Ų49.240%0.39925%0.254SS..THydrogen-bonded Turntrans-87.45.5175.760.50000113.3H296 L297 L298 E302H296-T300 VanDerWaalsContact CE1-CG2 3.45Å; H296-T300 WeakPolarHBondContact CE1-CG2 3.42Å; H296-T300 WeakPolarHBondContact O-CG2 3.4Å; H296-T300 PolarHBondContact O-N 3.33Å; H296-T300 PolarHBondContact O-OG1 2.91Å; H296-T300 VanDerWaalsContact O-OG1 3.06Å; L297-T300 PolarHBondContact O-OG1 3.43Å; L298-T300 VanDerWaalsContact C-N 3.34Å; T300-E302 VanDerWaalsContact C-N 3.29Å; T300-E302 PolarHBondContact O-N 3.31Å; T300-E302 WeakPolarHBondContact OG1-CG 3.4Å
301N95.1Very high97.9Very high145 Ų14547.6 Ų47.678%0.77524%0.244SC*.THydrogen-bonded Turntrans55.837.7-178.2-71.4-27.7000114.2L297 L298 M299L297-N301 PolarHBondContact O-N 2.99Å; L298-N301 PolarHBondContact O-N 2.86Å; M299-N301 VanDerWaalsContact C-N 3.29Å
302E97.3Very high97.9Very high110 Ų11045.5 Ų45.551%0.51424%0.236SC..  trans-84.9124.6175.7-75.5-68.6170.600111.4L297 T300 L304 A305L297-E302 HydrophobicContact CB-CB 4.21Å; L297-E302 HydrophobicContact CD2-CB 3.85Å; L297-E302 HydrophobicContact CD2-CG 4.15Å; L297-E302 PolarHBondContact O-N 2.94Å; T300-E302 VanDerWaalsContact C-N 3.29Å; T300-E302 PolarHBondContact O-N 3.31Å; T300-E302 WeakPolarHBondContact OG1-CG 3.4Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-L304 VanDerWaalsContact O-N 3.12Å; E302-A305 WeakPolarHBondContact O-CB 2.93Å; E302-A305 PolarHBondContact O-N 3.47Å; E302-A305 VanDerWaalsContact O-N 3.09Å
303L95.7Very high97.9Very high155 Ų15545 Ų4581%0.81223%0.232SC*.THydrogen-bonded Turntrans-63.3-20.7-179.2-65177.8000113.2A305 G306L303-A305 PolarHBondContact O-N 3.46Å; L303-A305 VanDerWaalsContact O-N 3.16Å; L303-G306 PolarHBondContact O-N 3.26Å; L303-G306 VanDerWaalsContact O-N 3.07Å
304L97.8Very high97.9Very high75 Ų7541.1 Ų41.139%0.39322%0.217SC..Hα-helixtrans-56.6-28.3174.2-178.461.7000112.3L297 E302 G306 V307 L308L297-L304 HydrophobicContact CD1-CB 4.26Å; L297-L304 HydrophobicContact CD1-CD2 4.11Å; L297-L304 HydrophobicContact CD1-CG 4.05Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-L304 VanDerWaalsContact O-N 3.12Å; L304-G306 VanDerWaalsContact C-N 3.32Å; L304-G306 PolarHBondContact O-N 3.42Å; L304-V307 HydrophobicContact CD1-CB 4.36Å; L304-V307 PolarHBondContact O-N 2.96Å; L304-L308 HydrophobicContact CD1-CD1 4.47Å; L304-L308 HydrophobicContact CD1-CG 4.23Å; L304-L308 HydrophobicContact CD2-CD1 4.49Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 HydrophobicContact CG-CG 4.27Å; L304-L308 PolarHBondContact O-N 3.43Å
305A97.6Very high97.9Very high2 Ų241.7 Ų41.72%0.01722%0.219CC..Hα-helixtrans-56.6-46.6174.800000111.7L297 L298 E302 L303 V307 L308 L309L297-A305 HydrophobicContact CB-CB 3.81Å; L298-A305 HydrophobicContact CD2-CB 3.6Å; L298-A305 HydrophobicContact CG-CB 3.84Å; E302-A305 WeakPolarHBondContact O-CB 2.93Å; E302-A305 PolarHBondContact O-N 3.47Å; E302-A305 VanDerWaalsContact O-N 3.09Å; L303-A305 PolarHBondContact O-N 3.46Å; L303-A305 VanDerWaalsContact O-N 3.16Å; A305-V307 VanDerWaalsContact C-N 3.34Å; A305-V307 PolarHBondContact O-N 2.94Å; A305-L308 PolarHBondContact O-N 3Å; A305-L309 WeakPolarHBondContact O-CB 3.33Å; A305-L309 VanDerWaalsContact O-CG 3.27Å; A305-L309 WeakPolarHBondContact O-CG 3.23Å; A305-L309 PolarHBondContact O-N 2.81Å
306G97.7Very high97.9Very high17 Ų1741.5 Ų41.518%0.17522%0.219CC..Hα-helixtrans-63.3-39179.200000112.4T210 L303 L304 M310T210-G306 WeakPolarHBondContact CG2-O 3.25Å; L303-G306 PolarHBondContact O-N 3.26Å; L303-G306 VanDerWaalsContact O-N 3.07Å; L304-G306 VanDerWaalsContact C-N 3.32Å; L304-G306 PolarHBondContact O-N 3.42Å; G306-M310 VanDerWaalsContact O-CB 3.27Å; G306-M310 WeakPolarHBondContact O-CB 3.44Å; G306-M310 PolarHBondContact O-N 3.45Å
307V98.5Very high97.9Very high38 Ų3836.6 Ų36.623%0.2320%0.196CC..Hα-helixtrans-62-52176.4-177.50000110.9H45 L46 L304 A305 L309 M310 M311H45-V307 HydrophobicContact CB-CG2 4.22Å; L46-V307 HydrophobicContact CD2-CG1 4.13Å; L304-V307 HydrophobicContact CD1-CB 4.36Å; L304-V307 PolarHBondContact O-N 2.96Å; A305-V307 VanDerWaalsContact C-N 3.34Å; A305-V307 PolarHBondContact O-N 2.94Å; V307-L309 VanDerWaalsContact C-N 3.35Å; V307-L309 PolarHBondContact O-N 3.42Å; V307-M310 PolarHBondContact O-N 2.87Å; V307-M311 WeakPolarHBondContact O-CG 3.43Å; V307-M311 PolarHBondContact O-N 2.81Å
308L98.6Very high97.9Very high3 Ų336.2 Ų36.22%0.01619%0.194CC..Hα-helixtrans-65.6-38.4-178-69176.1000112.1Y284 C285 Y293 I294 L297 L304 A305 H312Y284-L308 HydrophobicContact CD1-CD2 3.88Å; Y284-L308 HydrophobicContact CE1-CD2 3.96Å; C285-L308 HydrophobicContact CB-CB 4.4Å; Y293-L308 HydrophobicContact CE1-CD1 3.99Å; I294-L308 HydrophobicContact CD1-CB 3.87Å; I294-L308 HydrophobicContact CD1-CD1 3.49Å; I294-L308 VanDerWaalsContact CD1-CD1 3.49Å; I294-L308 HydrophobicContact CD1-CG 4.34Å; L297-L308 HydrophobicContact CD1-CD1 3.9Å; L304-L308 HydrophobicContact CD1-CD1 4.47Å; L304-L308 HydrophobicContact CD1-CG 4.23Å; L304-L308 HydrophobicContact CD2-CD1 4.49Å; L304-L308 HydrophobicContact CG-CD1 4.06Å; L304-L308 HydrophobicContact CG-CG 4.27Å; L304-L308 PolarHBondContact O-N 3.43Å; A305-L308 PolarHBondContact O-N 3Å; L308-H312 PolarHBondContact O-N 3Å; L308-H312 VanDerWaalsContact O-N 3.14Å
309L98.6Very high97.9Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-66.8-43.1175-74.4170000111.7T210 C214 A215 L265 L277 I294 L298 A305 V307 M311 H312 N313T210-L309 HydrophobicContact CG2-CB 3.86Å; C214-L309 WeakPolarHBondContact O-CD2 3.28Å; A215-L309 HydrophobicContact CB-CD2 3.86Å; L265-L309 HydrophobicContact CD1-CD2 3.46Å; L265-L309 VanDerWaalsContact CD1-CD2 3.46Å; L277-L309 HydrophobicContact CD1-CD2 4.21Å; I294-L309 HydrophobicContact CG2-CD1 4.22Å; I294-L309 HydrophobicContact CG2-CD2 4.09Å; I294-L309 HydrophobicContact CG2-CG 4.04Å; L298-L309 HydrophobicContact CD1-CD1 4.42Å; L298-L309 HydrophobicContact CD2-CD1 4.39Å; A305-L309 WeakPolarHBondContact O-CB 3.33Å; A305-L309 VanDerWaalsContact O-CG 3.27Å; A305-L309 WeakPolarHBondContact O-CG 3.23Å; A305-L309 PolarHBondContact O-N 2.81Å; V307-L309 VanDerWaalsContact C-N 3.35Å; V307-L309 PolarHBondContact O-N 3.42Å; L309-M311 VanDerWaalsContact C-N 3.33Å; L309-M311 PolarHBondContact O-N 2.72Å; L309-H312 PolarHBondContact O-N 2.87Å; L309-N313 VanDerWaalsContact O-CB 3.28Å; L309-N313 WeakPolarHBondContact O-CB 3.08Å; L309-N313 VanDerWaalsContact O-CG 3.24Å; L309-N313 PolarHBondContact O-N 2.84Å; L309-N313 PolarHBondContact O-ND2 3.02Å
310M98.6Very high97.9Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-63.1-41.1177.8-166.170.1-92.400111.6P44 H45 L46 P206 Y207 T210 G306 V307 H312 N313 F314P44-M310 HydrophobicContact CB-SD 4.45Å; P44-M310 WeakPolarHBondContact O-CG 3.36Å; H45-M310 HydrophobicContact CB-CB 4.34Å; L46-M310 HydrophobicContact CD1-CG 4.01Å; L46-M310 HydrophobicContact CD2-CB 4.45Å; L46-M310 HydrophobicContact CG-CB 4.48Å; L46-M310 HydrophobicContact CG-CG 4.14Å; P206-M310 HydrophobicContact CB-CE 4.1Å; Y207-M310 HydrophobicContact CD2-SD 4.24Å; T210-M310 HydrophobicContact CG2-CB 4.06Å; T210-M310 HydrophobicContact CG2-SD 4.41Å; G306-M310 VanDerWaalsContact O-CB 3.27Å; G306-M310 WeakPolarHBondContact O-CB 3.44Å; G306-M310 PolarHBondContact O-N 3.45Å; V307-M310 PolarHBondContact O-N 2.87Å; M310-H312 PolarHBondContact O-N 3.45Å; M310-N313 HydrophobicContact CE-CB 4.27Å; M310-F314 HydrophobicContact CE-CB 4.35Å; M310-F314 HydrophobicContact CE-CD1 3.55Å; M310-F314 HydrophobicContact CE-CD2 3.46Å; M310-F314 VanDerWaalsContact CE-CD2 3.46Å; M310-F314 HydrophobicContact CE-CE1 3.54Å; M310-F314 HydrophobicContact CE-CE2 3.45Å; M310-F314 VanDerWaalsContact CE-CE2 3.45Å; M310-F314 HydrophobicContact CE-CG 3.5Å; M310-F314 VanDerWaalsContact CE-CG 3.5Å; M310-F314 HydrophobicContact CE-CZ 3.49Å; M310-F314 VanDerWaalsContact CE-CZ 3.49Å; M310-F314 HydrophobicContact CG-CD2 3.78Å; M310-F314 HydrophobicContact CG-CE2 3.64Å; M310-F314 HydrophobicContact CG-CZ 4.46Å; M310-F314 WeakPolarHBondContact O-CB 3.49Å; M310-F314 PolarHBondContact O-N 2.86Å; M310-F314 HydrophobicContact SD-CD2 4.12Å; M310-F314 HydrophobicContact SD-CE2 3.67Å; M310-F314 HydrophobicContact SD-CZ 3.89Å
311M98.6Very high98Very high6 Ų628.6 Ų28.63%0.0316%0.158CC..Hα-helixtrans-58.5-47.4174.7-69.9-175.480.100111.7L46 T50 N53 I54 Y284 V307 L309 E315L46-M311 HydrophobicContact CD2-CG 3.52Å; T50-M311 HydrophobicContact CG2-CE 3.63Å; T50-M311 HydrophobicContact CG2-CG 3.98Å; T50-M311 HydrophobicContact CG2-SD 3.46Å; T50-M311 WeakPolarHBondContact CG2-SD 3.39Å; N53-M311 HydrophobicContact CB-CE 4.32Å; I54-M311 HydrophobicContact CD1-CB 4.35Å; I54-M311 HydrophobicContact CD1-CG 4.29Å; I54-M311 HydrophobicContact CG1-CE 4.45Å; Y284-M311 HydrophobicContact CD1-CE 4.32Å; Y284-M311 HydrophobicContact CD1-SD 4.14Å; Y284-M311 HydrophobicContact CG-CE 3.93Å; Y284-M311 HydrophobicContact CG-SD 4.36Å; V307-M311 WeakPolarHBondContact O-CG 3.43Å; V307-M311 PolarHBondContact O-N 2.81Å; L309-M311 VanDerWaalsContact C-N 3.33Å; L309-M311 PolarHBondContact O-N 2.72Å; M311-E315 WeakPolarHBondContact O-CB 3.27Å; M311-E315 PolarHBondContact O-N 3.26Å; M311-E315 VanDerWaalsContact O-N 3.14Å
312H98.7Very high98.1Very high0 Ų023.7 Ų23.70%013%0.134CC..Hα-helixtrans-65.3-51.6178.4172.972.3000112.1L216 L277 C283 C285 C286 L308 L309 M310 F314 E315 H316L216-H312 PolarHBondContact O-NE2 3.04Å; L277-H312 HydrophobicContact CD1-CB 3.76Å; L277-H312 VanDerWaalsContact CD1-CG 3.49Å; C283-H312 PolarHBondContact SG-ND1 3.32Å; C285-H312 HydrophobicContact CB-CB 4.22Å; C286-H312 PolarHBondContact SG-ND1 3.12Å; L308-H312 PolarHBondContact O-N 3Å; L308-H312 VanDerWaalsContact O-N 3.14Å; L309-H312 PolarHBondContact O-N 2.87Å; M310-H312 PolarHBondContact O-N 3.45Å; H312-F314 VanDerWaalsContact C-N 3.35Å; H312-F314 PolarHBondContact O-N 3.49Å; H312-E315 PolarHBondContact O-N 3.02Å; H312-H316 WeakPolarHBondContact O-CB 3.37Å; H312-H316 PolarHBondContact O-N 3.31Å
313N98.7Very high98.1Very high0 Ų019 Ų190%011%0.114CC..Hα-helixtrans-64.4-38.7-174.5-71.3-30.8000111.7P206 T210 C214 A215 L216 L309 M310 Y317P206-N313 HydrophobicContact CB-CB 3.74Å; P206-N313 WeakPolarHBondContact CB-O 3.24Å; T210-N313 PolarHBondContact OG1-ND2 3.36Å; C214-N313 PolarHBondContact O-ND2 3.34Å; C214-N313 VanDerWaalsContact O-ND2 3.15Å; A215-N313 WeakPolarHBondContact CA-OD1 3.4Å; L216-N313 HydrophobicContact CD1-CB 4.39Å; L216-N313 PolarHBondContact N-OD1 3.05Å; L309-N313 VanDerWaalsContact O-CB 3.28Å; L309-N313 WeakPolarHBondContact O-CB 3.08Å; L309-N313 VanDerWaalsContact O-CG 3.24Å; L309-N313 PolarHBondContact O-N 2.84Å; L309-N313 PolarHBondContact O-ND2 3.02Å; M310-N313 HydrophobicContact CE-CB 4.27Å; N313-Y317 WeakPolarHBondContact O-CB 3.24Å; N313-Y317 PolarHBondContact O-N 2.81Å
314F98.6Very high98.1Very high0 Ų011.7 Ų11.70%08%0.075CC..Hα-helixtrans-65.3-48.9171.4-84.9-33.1000112.2L36 A43 L46 I54 P206 M310 H312 H316 Y317 F318L36-F314 HydrophobicContact CD1-CD2 4.45Å; L36-F314 HydrophobicContact CD1-CE1 4.29Å; L36-F314 HydrophobicContact CD1-CE2 4.06Å; L36-F314 HydrophobicContact CD1-CZ 3.97Å; A43-F314 HydrophobicContact CB-CE2 4.4Å; L46-F314 HydrophobicContact CD1-CD2 3.8Å; L46-F314 HydrophobicContact CD1-CE2 4.03Å; I54-F314 HydrophobicContact CD1-CB 4.21Å; I54-F314 HydrophobicContact CD1-CD2 4.34Å; I54-F314 HydrophobicContact CG2-CB 4.33Å; P206-F314 HydrophobicContact CB-CD1 4.26Å; P206-F314 HydrophobicContact CG-CD1 3.84Å; P206-F314 HydrophobicContact CG-CE1 4Å; M310-F314 HydrophobicContact CE-CB 4.35Å; M310-F314 HydrophobicContact CE-CD1 3.55Å; M310-F314 HydrophobicContact CE-CD2 3.46Å; M310-F314 VanDerWaalsContact CE-CD2 3.46Å; M310-F314 HydrophobicContact CE-CE1 3.54Å; M310-F314 HydrophobicContact CE-CE2 3.45Å; M310-F314 VanDerWaalsContact CE-CE2 3.45Å; M310-F314 HydrophobicContact CE-CG 3.5Å; M310-F314 VanDerWaalsContact CE-CG 3.5Å; M310-F314 HydrophobicContact CE-CZ 3.49Å; M310-F314 VanDerWaalsContact CE-CZ 3.49Å; M310-F314 HydrophobicContact CG-CD2 3.78Å; M310-F314 HydrophobicContact CG-CE2 3.64Å; M310-F314 HydrophobicContact CG-CZ 4.46Å; M310-F314 WeakPolarHBondContact O-CB 3.49Å; M310-F314 PolarHBondContact O-N 2.86Å; M310-F314 HydrophobicContact SD-CD2 4.12Å; M310-F314 HydrophobicContact SD-CE2 3.67Å; M310-F314 HydrophobicContact SD-CZ 3.89Å; H312-F314 VanDerWaalsContact C-N 3.35Å; H312-F314 PolarHBondContact O-N 3.49Å; F314-H316 VanDerWaalsContact C-N 3.29Å; F314-H316 PolarHBondContact O-N 2.79Å; F314-Y317 PolarHBondContact O-N 2.81Å; F314-F318 HydrophobicContact CB-CD2 4.23Å; F314-F318 HydrophobicContact CB-CE2 3.62Å; F314-F318 HydrophobicContact CB-CZ 3.88Å; F314-F318 HydrophobicContact CD1-CE1 4.08Å; F314-F318 HydrophobicContact CD1-CE2 4.2Å; F314-F318 AromaticContact CD1-CZ 3.55Å; F314-F318 HydrophobicContact CD1-CZ 3.55Å; F314-F318 HydrophobicContact CE1-CZ 4.26Å; F314-F318 AromaticContact CG-CE2 3.98Å; F314-F318 HydrophobicContact CG-CE2 3.98Å; F314-F318 AromaticContact CG-CZ 3.79Å; F314-F318 HydrophobicContact CG-CZ 3.79Å; F314-F318 WeakPolarHBondContact O-CB 3.41Å; F314-F318 WeakPolarHBondContact O-CD2 3.5Å; F314-F318 WeakPolarHBondContact O-CG 3.38Å; F314-F318 PolarHBondContact O-N 3.29Å
315E98.6Very high98.1Very high11 Ų1110.5 Ų10.55%0.0517%0.066CC..Hα-helixtrans-59.5-42.6-179.7-168153.5136.900111.8I54 H55 S282 C283 M311 H312 G319I54-E315 HydrophobicContact CG2-CB 3.95Å; I54-E315 HydrophobicContact CG2-CG 4.46Å; H55-E315 HydrophobicContact CB-CG 4.26Å; H55-E315 IonicContact CE1-OE1 3.44Å; H55-E315 IonicContact CG-OE1 3.35Å; H55-E315 IonicContact CG-OE2 3.54Å; H55-E315 PolarHBondContact N-OE2 3.37Å; H55-E315 IonicContact ND1-OE1 3.87Å; H55-E315 PolarHBondContact ND1-OE1 3.41Å; H55-E315 IonicContact ND1-OE2 2.7Å; H55-E315 PolarHBondContact ND1-OE2 2.92Å; S282-E315 PolarHBondContact OG-OE1 2.83Å; C283-E315 VanDerWaalsContact CA-CD 3.45Å; C283-E315 WeakPolarHBondContact CA-OE1 3.43Å; C283-E315 HydrophobicContact CB-CB 3.85Å; C283-E315 VanDerWaalsContact CB-CD 3.42Å; C283-E315 HydrophobicContact CB-CG 4Å; C283-E315 PolarHBondContact N-OE1 3.48Å; M311-E315 WeakPolarHBondContact O-CB 3.27Å; M311-E315 PolarHBondContact O-N 3.26Å; M311-E315 VanDerWaalsContact O-N 3.14Å; H312-E315 PolarHBondContact O-N 3.02Å; E315-G319 PolarHBondContact O-N 3.33Å
316H98.5Very high98Very high11 Ų1116.2 Ų16.25%0.0519%0.092CC..Hα-helixtrans-62.7-46.1177.5-161.290.5000111.7L216 F218 F220 H312 F314 G319 F320L216-H316 HydrophobicContact CB-CB 4.28Å; F218-H316 AromaticContact CD1-NE2 3.85Å; F218-H316 AromaticContact CE1-CD2 3.68Å; F218-H316 AromaticContact CE1-NE2 3.89Å; F218-H316 PolarHBondContact O-CE1 2.89Å; F218-H316 VanDerWaalsContact O-CE1 3.28Å; F218-H316 PolarHBondContact O-NE2 3.42Å; F220-H316 AromaticContact CD1-NE2 3.9Å; F220-H316 AromaticContact CE1-CD2 3.71Å; F220-H316 AromaticContact CE1-CE1 3.73Å; F220-H316 AromaticContact CE1-NE2 3.48Å; F220-H316 WeakPolarHBondContact CE1-NE2 3.33Å; F220-H316 WeakPolarHBondContact CE1-O 3.34Å; H312-H316 WeakPolarHBondContact O-CB 3.37Å; H312-H316 PolarHBondContact O-N 3.31Å; F314-H316 VanDerWaalsContact C-N 3.29Å; F314-H316 PolarHBondContact O-N 2.79Å; H316-G319 PolarHBondContact O-N 2.95Å; H316-F320 PolarHBondContact O-N 2.9Å
317Y98.6Very high98Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-70.2-36.6-178.9-167.4-100000112.7C34 S185 F205 P206 L216 N313 F314 F320 F321C34-Y317 HydrophobicContact CB-CE1 4.32Å; S185-Y317 VanDerWaalsContact O-CE2 3.3Å; S185-Y317 WeakPolarHBondContact O-CE2 3.35Å; S185-Y317 VanDerWaalsContact O-CZ 3.31Å; S185-Y317 PolarHBondContact O-OH 3.34Å; S185-Y317 PolarHBondContact OG-OH 3.06Å; S185-Y317 VanDerWaalsContact OG-OH 3.13Å; F205-Y317 HydrophobicContact CB-CE2 4.37Å; F205-Y317 HydrophobicContact CD1-CD2 4.24Å; F205-Y317 AromaticContact CD1-CE2 4Å; F205-Y317 HydrophobicContact CD1-CE2 4Å; P206-Y317 HydrophobicContact CB-CG 4.43Å; P206-Y317 HydrophobicContact CG-CD1 4Å; P206-Y317 HydrophobicContact CG-CD2 4.37Å; P206-Y317 HydrophobicContact CG-CG 3.86Å; L216-Y317 HydrophobicContact CD1-CD2 4.36Å; N313-Y317 WeakPolarHBondContact O-CB 3.24Å; N313-Y317 PolarHBondContact O-N 2.81Å; F314-Y317 PolarHBondContact O-N 2.81Å; Y317-F320 WeakPolarHBondContact O-CB 3.4Å; Y317-F320 PolarHBondContact O-N 2.67Å; Y317-F321 HydrophobicContact CD1-CD2 4.24Å; Y317-F321 HydrophobicContact CD1-CE2 4.15Å; Y317-F321 AromaticContact CE1-CD2 3.96Å; Y317-F321 HydrophobicContact CE1-CD2 3.96Å; Y317-F321 AromaticContact CE1-CE2 3.42Å; Y317-F321 HydrophobicContact CE1-CE2 3.42Å; Y317-F321 VanDerWaalsContact CE1-CE2 3.42Å; Y317-F321 HydrophobicContact CE1-CZ 4.5Å; Y317-F321 AromaticContact CZ-CE2 3.63Å; Y317-F321 PolarHBondContact O-N 2.74Å
318F98.3Very high97.8Very high3 Ų313.8 Ų13.81%0.0137%0.074CC..Hα-helixtrans-69.2-37.4173.3-58-25.9000111.6L36 I54 G56 V57 P58 F314 F320 F321 C322L36-F318 HydrophobicContact CD1-CZ 3.92Å; I54-F318 HydrophobicContact CG2-CD2 4.03Å; I54-F318 HydrophobicContact CG2-CE2 4.14Å; G56-F318 WeakPolarHBondContact O-CB 3.19Å; V57-F318 HydrophobicContact CB-CE2 4.4Å; V57-F318 HydrophobicContact CG2-CD2 4.39Å; V57-F318 HydrophobicContact CG2-CE2 4.06Å; P58-F318 VanDerWaalsContact CD-CZ 3.48Å; P58-F318 HydrophobicContact CG-CD1 4.09Å; P58-F318 HydrophobicContact CG-CE1 3.8Å; P58-F318 HydrophobicContact CG-CZ 4.2Å; F314-F318 HydrophobicContact CB-CD2 4.23Å; F314-F318 HydrophobicContact CB-CE2 3.62Å; F314-F318 HydrophobicContact CB-CZ 3.88Å; F314-F318 HydrophobicContact CD1-CE1 4.08Å; F314-F318 HydrophobicContact CD1-CE2 4.2Å; F314-F318 AromaticContact CD1-CZ 3.55Å; F314-F318 HydrophobicContact CD1-CZ 3.55Å; F314-F318 HydrophobicContact CE1-CZ 4.26Å; F314-F318 AromaticContact CG-CE2 3.98Å; F314-F318 HydrophobicContact CG-CE2 3.98Å; F314-F318 AromaticContact CG-CZ 3.79Å; F314-F318 HydrophobicContact CG-CZ 3.79Å; F314-F318 WeakPolarHBondContact O-CB 3.41Å; F314-F318 WeakPolarHBondContact O-CD2 3.5Å; F314-F318 WeakPolarHBondContact O-CG 3.38Å; F314-F318 PolarHBondContact O-N 3.29Å; F318-F320 VanDerWaalsContact C-N 3.31Å; F318-F320 PolarHBondContact O-N 3.11Å; F318-F321 PolarHBondContact O-N 3.48Å; F318-C322 PolarHBondContact O-N 2.69Å; F318-C322 PolarHBondContact O-SG 2.9Å; F318-C322 VanDerWaalsContact O-SG 3.4Å
319G97.6Very high97.7Very high22 Ų2220.8 Ų20.823%0.22711%0.105CC..Hα-helixtrans-56.8-42.2170.200000112.6E315 H316 F321 C322 S323E315-G319 PolarHBondContact O-N 3.33Å; H316-G319 PolarHBondContact O-N 2.95Å; G319-F321 PolarHBondContact O-N 2.92Å; G319-C322 WeakPolarHBondContact O-CB 3.35Å; G319-C322 PolarHBondContact O-N 3.38Å; G319-C322 VanDerWaalsContact O-N 3.15Å; G319-S323 PolarHBondContact O-N 3.3Å
320F98.1Very high97.4Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-58.3-45.6173.7165.8-116000112.7P187 V190 L191 F218 F220 H316 Y317 F318 C322 S323 I324 I340P187-F320 HydrophobicContact CB-CE1 3.88Å; P187-F320 HydrophobicContact CB-CE2 4.33Å; P187-F320 HydrophobicContact CB-CZ 3.74Å; P187-F320 HydrophobicContact CG-CE1 4.47Å; V190-F320 HydrophobicContact CB-CE1 4.43Å; V190-F320 HydrophobicContact CG1-CE1 4.16Å; L191-F320 HydrophobicContact CD1-CE2 4.5Å; L191-F320 HydrophobicContact CD1-CZ 4.37Å; L191-F320 HydrophobicContact CD2-CZ 4.39Å; L191-F320 HydrophobicContact CG-CZ 4.12Å; F218-F320 HydrophobicContact CE2-CB 4.21Å; F218-F320 AromaticContact CE2-CD2 3.9Å; F218-F320 HydrophobicContact CE2-CD2 3.9Å; F218-F320 HydrophobicContact CE2-CE2 4.45Å; F218-F320 HydrophobicContact CE2-CG 4.06Å; F218-F320 HydrophobicContact CZ-CB 4.05Å; F218-F320 HydrophobicContact CZ-CD2 4.37Å; F218-F320 HydrophobicContact CZ-CG 4.08Å; F220-F320 HydrophobicContact CB-CD2 4Å; F220-F320 HydrophobicContact CD1-CB 3.86Å; F220-F320 HydrophobicContact CE1-CB 4.21Å; F220-F320 HydrophobicContact CG-CB 4.25Å; F220-F320 HydrophobicContact CG-CD2 4.49Å; H316-F320 PolarHBondContact O-N 2.9Å; Y317-F320 WeakPolarHBondContact O-CB 3.4Å; Y317-F320 PolarHBondContact O-N 2.67Å; F318-F320 VanDerWaalsContact C-N 3.31Å; F318-F320 PolarHBondContact O-N 3.11Å; F320-C322 VanDerWaalsContact C-N 3.33Å; F320-C322 PolarHBondContact O-N 2.66Å; F320-S323 WeakPolarHBondContact O-CB 3.25Å; F320-S323 PolarHBondContact O-N 3.21Å; F320-I324 HydrophobicContact CD1-CD1 3.99Å; F320-I324 HydrophobicContact CD2-CD1 4.21Å; F320-I324 HydrophobicContact CD2-CG1 4.29Å; F320-I324 HydrophobicContact CE1-CD1 3.5Å; F320-I324 VanDerWaalsContact CE1-CD1 3.5Å; F320-I324 HydrophobicContact CE2-CD1 3.74Å; F320-I324 HydrophobicContact CE2-CG1 3.91Å; F320-I324 HydrophobicContact CG-CD1 4.34Å; F320-I324 HydrophobicContact CZ-CD1 3.37Å; F320-I324 HydrophobicContact CZ-CG1 4.06Å; F320-I324 WeakPolarHBondContact O-CG1 3.33Å; F320-I324 PolarHBondContact O-N 3.32Å; F320-I340 HydrophobicContact CE2-CD1 4.21Å; F320-I340 HydrophobicContact CE2-CG1 4.2Å
321F98.2Very high97.2Very high3 Ų330.5 Ų30.51%0.01316%0.157CC..Hα-helixtrans-65.8-33174.8-87.5-86.2000113.4G33 C34 V190 F201 Y317 F318 G319 I324 R325G33-F321 VanDerWaalsContact C-CE1 3.43Å; G33-F321 VanDerWaalsContact CA-CD1 3.46Å; G33-F321 WeakPolarHBondContact O-CE1 3.38Å; C34-F321 HydrophobicContact CB-CD2 4.02Å; C34-F321 HydrophobicContact CB-CE1 4.27Å; C34-F321 HydrophobicContact CB-CE2 3.68Å; C34-F321 HydrophobicContact CB-CG 4.46Å; C34-F321 HydrophobicContact CB-CZ 3.8Å; V190-F321 HydrophobicContact CG1-CE1 3.89Å; V190-F321 HydrophobicContact CG1-CE2 4.38Å; V190-F321 HydrophobicContact CG1-CZ 3.57Å; V190-F321 HydrophobicContact CG2-CZ 4.25Å; F201-F321 HydrophobicContact CB-CZ 3.95Å; F201-F321 AromaticContact CD2-CE1 3.82Å; F201-F321 HydrophobicContact CD2-CE1 3.82Å; F201-F321 AromaticContact CD2-CZ 3.97Å; F201-F321 HydrophobicContact CD2-CZ 3.97Å; F201-F321 HydrophobicContact CG-CE1 4.42Å; F201-F321 HydrophobicContact CG-CZ 4.11Å; Y317-F321 HydrophobicContact CD1-CD2 4.24Å; Y317-F321 HydrophobicContact CD1-CE2 4.15Å; Y317-F321 AromaticContact CE1-CD2 3.96Å; Y317-F321 HydrophobicContact CE1-CD2 3.96Å; Y317-F321 AromaticContact CE1-CE2 3.42Å; Y317-F321 HydrophobicContact CE1-CE2 3.42Å; Y317-F321 VanDerWaalsContact CE1-CE2 3.42Å; Y317-F321 HydrophobicContact CE1-CZ 4.5Å; Y317-F321 AromaticContact CZ-CE2 3.63Å; Y317-F321 PolarHBondContact O-N 2.74Å; F318-F321 PolarHBondContact O-N 3.48Å; G319-F321 PolarHBondContact O-N 2.92Å; F321-I324 HydrophobicContact CD1-CD1 4.23Å; F321-I324 HydrophobicContact CE1-CD1 4.48Å; F321-I324 HydrophobicContact CG-CD1 4.49Å; F321-R325 PolarHBondContact O-N 2.78Å; F321-R325 PolarHBondContact O-NH1 2.93Å
322C96.9Very high97Very high41 Ų4131.9 Ų31.928%0.27717%0.165SC..Hα-helixtrans-61.7-48.1170-67.90000110.8F318 G319 F320 I324 R325 E326F318-C322 PolarHBondContact O-N 2.69Å; F318-C322 PolarHBondContact O-SG 2.9Å; F318-C322 VanDerWaalsContact O-SG 3.4Å; G319-C322 WeakPolarHBondContact O-CB 3.35Å; G319-C322 PolarHBondContact O-N 3.38Å; G319-C322 VanDerWaalsContact O-N 3.15Å; F320-C322 VanDerWaalsContact C-N 3.33Å; F320-C322 PolarHBondContact O-N 2.66Å; C322-I324 VanDerWaalsContact C-N 3.35Å; C322-I324 PolarHBondContact O-N 2.93Å; C322-R325 PolarHBondContact O-N 3.35Å; C322-R325 VanDerWaalsContact O-N 3.14Å; C322-R325 PolarHBondContact SG-NH2 2.93Å; C322-E326 PolarHBondContact O-N 3.35Å
323S96.8Very high96.8Very high13 Ų1332.4 Ų32.49%0.09117%0.168CC..Hα-helixtrans-59.9-41176.9177.10000112.2F220 G319 F320 R325 E326 A327F220-S323 PolarHBondContact O-OG 3.09Å; G319-S323 PolarHBondContact O-N 3.3Å; F320-S323 WeakPolarHBondContact O-CB 3.25Å; F320-S323 PolarHBondContact O-N 3.21Å; S323-R325 VanDerWaalsContact C-N 3.34Å; S323-R325 PolarHBondContact O-N 3.09Å; S323-E326 PolarHBondContact O-N 3.47Å; S323-A327 VanDerWaalsContact O-CB 3.32Å; S323-A327 WeakPolarHBondContact O-CB 3.39Å; S323-A327 PolarHBondContact O-N 2.65Å
324I97.6Very high96.6Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-55.9-48.1173.7-70.5165.5000111.1P32 V190 L191 I194 F320 F321 C322 E326 A327 L328 L333 L336P32-I324 HydrophobicContact CG-CG2 3.64Å; V190-I324 HydrophobicContact CG1-CD1 4.14Å; L191-I324 HydrophobicContact CD2-CD1 4.13Å; L191-I324 HydrophobicContact CD2-CG1 3.97Å; I194-I324 HydrophobicContact CD1-CD1 3.99Å; I194-I324 HydrophobicContact CD1-CG2 3.87Å; F320-I324 HydrophobicContact CD1-CD1 3.99Å; F320-I324 HydrophobicContact CD2-CD1 4.21Å; F320-I324 HydrophobicContact CD2-CG1 4.29Å; F320-I324 HydrophobicContact CE1-CD1 3.5Å; F320-I324 VanDerWaalsContact CE1-CD1 3.5Å; F320-I324 HydrophobicContact CE2-CD1 3.74Å; F320-I324 HydrophobicContact CE2-CG1 3.91Å; F320-I324 HydrophobicContact CG-CD1 4.34Å; F320-I324 HydrophobicContact CZ-CD1 3.37Å; F320-I324 HydrophobicContact CZ-CG1 4.06Å; F320-I324 WeakPolarHBondContact O-CG1 3.33Å; F320-I324 PolarHBondContact O-N 3.32Å; F321-I324 HydrophobicContact CD1-CD1 4.23Å; F321-I324 HydrophobicContact CE1-CD1 4.48Å; F321-I324 HydrophobicContact CG-CD1 4.49Å; C322-I324 VanDerWaalsContact C-N 3.35Å; C322-I324 PolarHBondContact O-N 2.93Å; I324-E326 VanDerWaalsContact C-N 3.32Å; I324-E326 PolarHBondContact O-N 3.16Å; I324-A327 PolarHBondContact O-N 2.92Å; I324-L328 HydrophobicContact CG2-CD1 4.24Å; I324-L328 WeakPolarHBondContact O-CB 3.37Å; I324-L328 WeakPolarHBondContact O-CG 3.4Å; I324-L328 PolarHBondContact O-N 2.92Å; I324-L333 HydrophobicContact CG2-CD1 4.26Å; I324-L336 HydrophobicContact CB-CD2 4.49Å; I324-L336 HydrophobicContact CG1-CD2 3.88Å
325R97.3Very high96.4Very high50 Ų5041.2 Ų41.219%0.18922%0.222CC..Hα-helixtrans-66-36-179.3-70.2-169.9-62.8-81.8-1.9112L15 P32 F321 C322 S323 K329L15-R325 HydrophobicContact CD1-CB 4.09Å; L15-R325 HydrophobicContact CD1-CG 4.15Å; P32-R325 HydrophobicContact CG-CG 4.43Å; P32-R325 WeakPolarHBondContact O-CD 3.44Å; P32-R325 WeakPolarHBondContact O-CG 3.39Å; P32-R325 PolarHBondContact O-NH1 2.87Å; F321-R325 PolarHBondContact O-N 2.78Å; F321-R325 PolarHBondContact O-NH1 2.93Å; C322-R325 PolarHBondContact O-N 3.35Å; C322-R325 VanDerWaalsContact O-N 3.14Å; C322-R325 PolarHBondContact SG-NH2 2.93Å; S323-R325 VanDerWaalsContact C-N 3.34Å; S323-R325 PolarHBondContact O-N 3.09Å; R325-K329 WeakPolarHBondContact O-CB 3.27Å; R325-K329 PolarHBondContact O-N 3.3Å
326E96.1Very high96.3Very high122 Ų12240.7 Ų40.757%0.5722%0.219SC*.Hα-helixtrans-67.9-43.7173.7-71-176.7177.900112.2C322 S323 I324 L328 K329 N330C322-E326 PolarHBondContact O-N 3.35Å; S323-E326 PolarHBondContact O-N 3.47Å; I324-E326 VanDerWaalsContact C-N 3.32Å; I324-E326 PolarHBondContact O-N 3.16Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 2.83Å; E326-K329 CarbonylContact O-C 3.51Å; E326-K329 WeakPolarHBondContact O-CA 3.48Å; E326-K329 WeakPolarHBondContact O-CB 3.48Å; E326-K329 PolarHBondContact O-N 2.91Å; E326-K329 VanDerWaalsContact O-N 3.09Å; E326-N330 WeakPolarHBondContact O-CB 3.33Å; E326-N330 PolarHBondContact O-N 2.76Å; E326-N330 PolarHBondContact O-ND2 3.22Å
327A95.7Very high96.1Very high3 Ų341.9 Ų41.93%0.02523%0.225CC..Hα-helixtrans-62.2-40.9175.500000111.1S323 I324 N330 D331 T332 L333 L336S323-A327 VanDerWaalsContact O-CB 3.32Å; S323-A327 WeakPolarHBondContact O-CB 3.39Å; S323-A327 PolarHBondContact O-N 2.65Å; I324-A327 PolarHBondContact O-N 2.92Å; A327-N330 CarbonylContact O-C 3.58Å; A327-N330 PolarHBondContact O-N 3.19Å; A327-D331 WeakPolarHBondContact O-CA 3.1Å; A327-D331 PolarHBondContact O-N 3.35Å; A327-T332 WeakPolarHBondContact CA-OG1 3.36Å; A327-T332 PolarHBondContact O-N 3.44Å; A327-L333 HydrophobicContact CB-CD1 4.4Å; A327-L336 HydrophobicContact CB-CB 4.36Å; A327-L336 HydrophobicContact CB-CD2 4.03Å
328L95.6Very high95.9Very high2 Ų246.8 Ų46.81%0.0125%0.248CC..Hα-helixtrans-60.4-47.3170.5-77.3175.6000111K8 C13 L15 P32 I324 E326 N330 D331 L333K8-L328 WeakPolarHBondContact CE-O 3.4Å; K8-L328 PolarHBondContact NZ-O 3.29Å; C13-L328 HydrophobicContact CB-CD1 4.28Å; C13-L328 HydrophobicContact CB-CD2 3.39Å; C13-L328 HydrophobicContact CB-CG 4.49Å; L15-L328 HydrophobicContact CB-CB 4.43Å; L15-L328 HydrophobicContact CB-CD1 4.4Å; L15-L328 HydrophobicContact CD1-CB 4.36Å; L15-L328 HydrophobicContact CD1-CD1 4.45Å; L15-L328 HydrophobicContact CD2-CB 4.3Å; P32-L328 VanDerWaalsContact CD-CD1 3.43Å; P32-L328 HydrophobicContact CG-CD1 3.59Å; I324-L328 HydrophobicContact CG2-CD1 4.24Å; I324-L328 WeakPolarHBondContact O-CB 3.37Å; I324-L328 WeakPolarHBondContact O-CG 3.4Å; I324-L328 PolarHBondContact O-N 2.92Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 2.83Å; L328-N330 VanDerWaalsContact C-N 3.29Å; L328-N330 PolarHBondContact O-N 3.39Å; L328-D331 PolarHBondContact O-N 3.42Å; L328-L333 HydrophobicContact CD2-CB 4.31Å; L328-L333 HydrophobicContact CD2-CD2 3.8Å; L328-L333 HydrophobicContact CD2-CG 4.45Å
329K95.3Very high95.8Very high149 Ų14947.8 Ų47.865%0.64825%0.253SS*.Hα-helixtrans-57.8-40.4178-172.4-178176.1-173.10112.4K8 L15 R325 E326K8-K329 VanDerWaalsContact NZ-C 3.3Å; K8-K329 PolarHBondContact NZ-O 3.42Å; L15-K329 HydrophobicContact CD2-CB 4.23Å; R325-K329 WeakPolarHBondContact O-CB 3.27Å; R325-K329 PolarHBondContact O-N 3.3Å; E326-K329 CarbonylContact O-C 3.51Å; E326-K329 WeakPolarHBondContact O-CA 3.48Å; E326-K329 WeakPolarHBondContact O-CB 3.48Å; E326-K329 PolarHBondContact O-N 2.91Å; E326-K329 VanDerWaalsContact O-N 3.09Å
330N94.3Very high95.7Very high100 Ų10046.8 Ų46.854%0.53524%0.242SC..Hα-helixtrans-92.3-1.5-176.5-61-24.1000114.3E326 A327 L328 T332E326-N330 WeakPolarHBondContact O-CB 3.33Å; E326-N330 PolarHBondContact O-N 2.76Å; E326-N330 PolarHBondContact O-ND2 3.22Å; A327-N330 CarbonylContact O-C 3.58Å; A327-N330 PolarHBondContact O-N 3.19Å; L328-N330 VanDerWaalsContact C-N 3.29Å; L328-N330 PolarHBondContact O-N 3.39Å; N330-T332 VanDerWaalsContact C-N 3.31Å; N330-T332 HydrophobicContact CB-CG2 4.27Å; N330-T332 PolarHBondContact O-N 3.48Å
331D93.6Very high95.3Very high105 Ų10548.4 Ų48.456%0.56125%0.253SS*.THydrogen-bonded Turntrans61.535.1-176.9-152.910.6000113.9V10 A327 L328V10-D331 WeakPolarHBondContact CG1-OD1 3.31Å; A327-D331 WeakPolarHBondContact O-CA 3.1Å; A327-D331 PolarHBondContact O-N 3.35Å; L328-D331 PolarHBondContact O-N 3.42Å
332T94.9Very high95Very high34 Ų3455.4 Ų55.421%0.20928%0.28CS..  trans-114.218.4-179.461.20000112.9A327 N330 A334 Q335 L336A327-T332 WeakPolarHBondContact CA-OG1 3.36Å; A327-T332 PolarHBondContact O-N 3.44Å; N330-T332 VanDerWaalsContact C-N 3.31Å; N330-T332 HydrophobicContact CB-CG2 4.27Å; N330-T332 PolarHBondContact O-N 3.48Å; T332-A334 VanDerWaalsContact C-N 3.29Å; T332-A334 PolarHBondContact O-N 3.45Å; T332-Q335 WeakPolarHBondContact O-CB 3.4Å; T332-Q335 PolarHBondContact O-N 3.3Å; T332-Q335 VanDerWaalsContact O-N 3.14Å; T332-L336 PolarHBondContact O-N 2.97Å
333L94.7Very high94.8Very high12 Ų1254.9 Ų54.96%0.06327%0.273CS..Hα-helixtrans-59.8-37.6-178.1-17471.4000112.6C13 L191 E195 I324 A327 L328 Q335 L336 K337C13-L333 WeakPolarHBondContact SG-CD2 3.49Å; L191-L333 HydrophobicContact CD2-CD1 3.86Å; E195-L333 HydrophobicContact CG-CD2 4.29Å; I324-L333 HydrophobicContact CG2-CD1 4.26Å; A327-L333 HydrophobicContact CB-CD1 4.4Å; L328-L333 HydrophobicContact CD2-CB 4.31Å; L328-L333 HydrophobicContact CD2-CD2 3.8Å; L328-L333 HydrophobicContact CD2-CG 4.45Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.15Å; L333-L336 HydrophobicContact CD1-CD2 4.38Å; L333-L336 WeakPolarHBondContact O-CB 3.29Å; L333-L336 PolarHBondContact O-N 3.09Å; L333-K337 WeakPolarHBondContact O-CB 3.48Å; L333-K337 PolarHBondContact O-N 3.06Å
334A94.3Very high94.2Very high74 Ų7456.9 Ų56.961%0.61228%0.282SS*.Hα-helixtrans-60.2-37.517800000112.4T332 K337 E338T332-A334 VanDerWaalsContact C-N 3.29Å; T332-A334 PolarHBondContact O-N 3.45Å; A334-K337 PolarHBondContact O-N 3.05Å; A334-E338 WeakPolarHBondContact O-CB 3.5Å; A334-E338 PolarHBondContact O-N 2.82Å
335Q94.6Very high92.7Very high110 Ų11067.1 Ų67.151%0.51433%0.326SS..Hα-helixtrans-68.2-42.4176.2-62.5174.51.300111.1T332 L333 K337 E338 L339T332-Q335 WeakPolarHBondContact O-CB 3.4Å; T332-Q335 PolarHBondContact O-N 3.3Å; T332-Q335 VanDerWaalsContact O-N 3.14Å; L333-Q335 VanDerWaalsContact C-N 3.27Å; L333-Q335 PolarHBondContact O-N 3.15Å; Q335-K337 VanDerWaalsContact C-N 3.33Å; Q335-K337 PolarHBondContact O-N 2.89Å; Q335-E338 PolarHBondContact O-N 3.17Å; Q335-L339 WeakPolarHBondContact O-CB 3.43Å; Q335-L339 PolarHBondContact O-N 3.07Å
336L95.3Very high92.5Very high0 Ų068 Ų680%033%0.333CS..Hα-helixtrans-61-44.7174.7-179.359000110.9F220 I324 A327 T332 L333 L339 I340F220-L336 HydrophobicContact CB-CD1 4Å; F220-L336 WeakPolarHBondContact O-CD1 3.31Å; I324-L336 HydrophobicContact CB-CD2 4.49Å; I324-L336 HydrophobicContact CG1-CD2 3.88Å; A327-L336 HydrophobicContact CB-CB 4.36Å; A327-L336 HydrophobicContact CB-CD2 4.03Å; T332-L336 PolarHBondContact O-N 2.97Å; L333-L336 HydrophobicContact CD1-CD2 4.38Å; L333-L336 WeakPolarHBondContact O-CB 3.29Å; L333-L336 PolarHBondContact O-N 3.09Å; L336-L339 WeakPolarHBondContact O-CB 3.48Å; L336-L339 PolarHBondContact O-N 3.35Å; L336-I340 HydrophobicContact CD1-CG1 4.28Å; L336-I340 WeakPolarHBondContact O-CG1 3.33Å; L336-I340 PolarHBondContact O-N 3.48Å
337K95.1Very high92.3Very high37 Ų3765.1 Ų65.116%0.16132%0.321CS..Hα-helixtrans-61.3-46.8178.2-174.9177.3-179.7-176.80112L191 E192 E195 L333 A334 Q335 L339 I340 C341L191-K337 HydrophobicContact CD1-CB 4.23Å; L191-K337 HydrophobicContact CD1-CG 4.31Å; E192-K337 WeakPolarHBondContact OE1-CE 3.28Å; E192-K337 IonicContact OE1-NZ 2.71Å; E192-K337 PolarHBondContact OE1-NZ 3.16Å; E192-K337 IonicContact OE2-NZ 3.19Å; E192-K337 PolarHBondContact OE2-NZ 3.42Å; E195-K337 WeakPolarHBondContact OE1-CD 3.2Å; E195-K337 IonicContact OE1-NZ 3.39Å; E195-K337 PolarHBondContact OE1-NZ 3.35Å; E195-K337 IonicContact OE2-NZ 2.67Å; E195-K337 PolarHBondContact OE2-NZ 3.21Å; L333-K337 WeakPolarHBondContact O-CB 3.48Å; L333-K337 PolarHBondContact O-N 3.06Å; A334-K337 PolarHBondContact O-N 3.05Å; Q335-K337 VanDerWaalsContact C-N 3.33Å; Q335-K337 PolarHBondContact O-N 2.89Å; K337-L339 VanDerWaalsContact C-N 3.32Å; K337-L339 PolarHBondContact O-N 2.82Å; K337-I340 PolarHBondContact O-N 3.09Å; K337-C341 WeakPolarHBondContact O-CB 3.49Å; K337-C341 PolarHBondContact O-N 3.27Å; K337-C341 PolarHBondContact O-SG 3.35Å
338E94.2Very high92.1Very high103 Ų10368.6 Ų68.648%0.48134%0.337SS..Hα-helixtrans-60.5-42.4175.6-170179.2-178.200111.9A334 Q335 I340 C341 R342A334-E338 WeakPolarHBondContact O-CB 3.5Å; A334-E338 PolarHBondContact O-N 2.82Å; Q335-E338 PolarHBondContact O-N 3.17Å; E338-I340 PolarHBondContact O-N 2.99Å; E338-C341 PolarHBondContact O-N 3.28Å; E338-R342 HydrophobicContact CG-CG 4.42Å; E338-R342 WeakPolarHBondContact O-CB 3.49Å; E338-R342 VanDerWaalsContact O-CG 3.23Å; E338-R342 WeakPolarHBondContact O-CG 3.49Å; E338-R342 PolarHBondContact O-N 3.35Å; E338-R342 IonicContact OE1-CZ 3.32Å; E338-R342 VanDerWaalsContact OE1-CZ 3.32Å; E338-R342 IonicContact OE1-NE 3.27Å; E338-R342 PolarHBondContact OE1-NE 2.98Å; E338-R342 IonicContact OE1-NH2 2.65Å; E338-R342 PolarHBondContact OE1-NH2 3.39Å; E338-R342 IonicContact OE2-NH2 3.91Å
339L95.1Very high91.9Very high24 Ų2472.5 Ų72.513%0.12636%0.357CS..Hα-helixtrans-59.8-44.1175.8174.763.2000112.2T219 T229 Q335 L336 K337 Q343T219-L339 HydrophobicContact CG2-CD2 4.34Å; T229-L339 HydrophobicContact CG2-CD1 4.31Å; Q335-L339 WeakPolarHBondContact O-CB 3.43Å; Q335-L339 PolarHBondContact O-N 3.07Å; L336-L339 WeakPolarHBondContact O-CB 3.48Å; L336-L339 PolarHBondContact O-N 3.35Å; K337-L339 VanDerWaalsContact C-N 3.32Å; K337-L339 PolarHBondContact O-N 2.82Å; L339-Q343 WeakPolarHBondContact O-CG 3.39Å; L339-Q343 PolarHBondContact O-N 3.11Å; L339-Q343 PolarHBondContact O-NE2 3.41Å
340I95.2Very high91.7Very high0 Ų067.7 Ų67.70%034%0.338CS..Hα-helixtrans-66.9-47.5177.8-64.7-59.1000110.6P187 D188 L191 F218 T219 F261 F320 L336 K337 E338 R342 Q343 M344P187-I340 HydrophobicContact CB-CG2 4.04Å; D188-I340 HydrophobicContact CB-CG2 4.4Å; L191-I340 HydrophobicContact CD1-CB 3.99Å; L191-I340 HydrophobicContact CD1-CG1 3.92Å; L191-I340 HydrophobicContact CD1-CG2 4.19Å; F218-I340 HydrophobicContact CD2-CD1 3.45Å; F218-I340 VanDerWaalsContact CD2-CD1 3.45Å; F218-I340 HydrophobicContact CE2-CD1 3.7Å; T219-I340 WeakPolarHBondContact O-CD1 3.38Å; F261-I340 HydrophobicContact CE1-CG2 3.83Å; F261-I340 HydrophobicContact CZ-CG2 4Å; F320-I340 HydrophobicContact CE2-CD1 4.21Å; F320-I340 HydrophobicContact CE2-CG1 4.2Å; L336-I340 HydrophobicContact CD1-CG1 4.28Å; L336-I340 WeakPolarHBondContact O-CG1 3.33Å; L336-I340 PolarHBondContact O-N 3.48Å; K337-I340 PolarHBondContact O-N 3.09Å; E338-I340 PolarHBondContact O-N 2.99Å; I340-R342 VanDerWaalsContact C-N 3.32Å; I340-R342 PolarHBondContact O-N 3.44Å; I340-Q343 PolarHBondContact O-N 2.96Å; I340-Q343 VanDerWaalsContact O-N 3.11Å; I340-M344 PolarHBondContact O-N 3.29Å
341C90.9Very high91.5Very high35 Ų3565.5 Ų65.524%0.23633%0.325CS..Hα-helixtrans-62.3-36.9178.8-67.50000112.5K337 E338 Q343 M344 F345K337-C341 WeakPolarHBondContact O-CB 3.49Å; K337-C341 PolarHBondContact O-N 3.27Å; K337-C341 PolarHBondContact O-SG 3.35Å; E338-C341 PolarHBondContact O-N 3.28Å; C341-Q343 PolarHBondContact O-N 2.8Å; C341-M344 VanDerWaalsContact O-CB 3.27Å; C341-M344 WeakPolarHBondContact O-CB 3.47Å; C341-M344 PolarHBondContact O-N 3.39Å; C341-F345 WeakPolarHBondContact O-CD2 3.19Å
342R92.6Very high91.4Very high149 Ų14962.7 Ų62.756%0.56231%0.308SS*.Hα-helixtrans-63.3-27.2175.4-78176.5-175.5-171.64.6113.6E338 I340 M344E338-R342 HydrophobicContact CG-CG 4.42Å; E338-R342 WeakPolarHBondContact O-CB 3.49Å; E338-R342 VanDerWaalsContact O-CG 3.23Å; E338-R342 WeakPolarHBondContact O-CG 3.49Å; E338-R342 PolarHBondContact O-N 3.35Å; E338-R342 IonicContact OE1-CZ 3.32Å; E338-R342 VanDerWaalsContact OE1-CZ 3.32Å; E338-R342 IonicContact OE1-NE 3.27Å; E338-R342 PolarHBondContact OE1-NE 2.98Å; E338-R342 IonicContact OE1-NH2 2.65Å; E338-R342 PolarHBondContact OE1-NH2 3.39Å; E338-R342 IonicContact OE2-NH2 3.91Å; I340-R342 VanDerWaalsContact C-N 3.32Å; I340-R342 PolarHBondContact O-N 3.44Å; R342-M344 VanDerWaalsContact C-N 3.31Å
343Q92.2Very high91.1Very high30 Ų3064.9 Ų64.914%0.1432%0.316CS..THydrogen-bonded Turntrans-85.9-8.9176.7-66.7171.192.900112.3F218 T219 S260 F261 L339 I340 C341F218-Q343 VanDerWaalsContact CA-OE1 3.3Å; T219-Q343 PolarHBondContact O-NE2 3.42Å; S260-Q343 VanDerWaalsContact CB-O 3.26Å; S260-Q343 WeakPolarHBondContact CB-O 3.18Å; S260-Q343 PolarHBondContact OG-O 3.38Å; F261-Q343 HydrophobicContact CE1-CB 4.48Å; L339-Q343 WeakPolarHBondContact O-CG 3.39Å; L339-Q343 PolarHBondContact O-N 3.11Å; L339-Q343 PolarHBondContact O-NE2 3.41Å; I340-Q343 PolarHBondContact O-N 2.96Å; I340-Q343 VanDerWaalsContact O-N 3.11Å; C341-Q343 PolarHBondContact O-N 2.8Å
344M83.4Confident90.8Very high56 Ų5669.3 Ų69.328%0.27634%0.337SS..THydrogen-bonded Turntrans-77.7-34.7177.5-166.5177.164.700112D188 S260 F261 I340 C341 R342D188-M344 HydrophobicContact CB-SD 4.4Å; S260-M344 VanDerWaalsContact OG-CA 3.22Å; S260-M344 WeakPolarHBondContact OG-CA 3.4Å; S260-M344 PolarHBondContact OG-O 2.77Å; F261-M344 HydrophobicContact CZ-CB 4.19Å; F261-M344 HydrophobicContact CZ-CG 4.3Å; I340-M344 PolarHBondContact O-N 3.29Å; C341-M344 VanDerWaalsContact O-CB 3.27Å; C341-M344 WeakPolarHBondContact O-CB 3.47Å; C341-M344 PolarHBondContact O-N 3.39Å; R342-M344 VanDerWaalsContact C-N 3.31Å
345F66.9Low90.5Very high214 Ų21468.9 Ų68.994%0.93931%0.312SS*.  trans-96.70-176.8-57.3-69.8000112.8C341C341-F345 WeakPolarHBondContact O-CD2 3.19Å

Retrieved 345 of 345 residues in 72.2 ms (Link to these results)

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