A0A077Z3W7_TRITR Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A077Z3W7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M34.5Very low44.7Very low235 Ų235140.4 Ų140.4100%1.15877%0.767SS**  098.50-80.6176.768.400104.7A3M1-A3 PolarHBondContact O-N 2.84Å
2D38.2Very low48.5Very low158 Ų158130.6 Ų130.685%0.84572%0.723SS**  trans-53.6122.1179.2-57.2-53.9000107.7E4D2-E4 VanDerWaalsContact C-N 3.31Å; D2-E4 PolarHBondContact O-N 3.17Å
3A40.7Very low52.1Low95 Ų95128.1 Ų128.179%0.78571%0.713SS**  trans-60.4107.8164.400000104.3M1 E5M1-A3 PolarHBondContact O-N 2.84Å; A3-E5 VanDerWaalsContact C-N 3.3Å; A3-E5 PolarHBondContact O-N 3.38Å
4E39.7Very low55.3Low178 Ų178120.6 Ų120.683%0.83267%0.671SS**  trans-46.9104.6167.8-70.6174.116000105.9D2 V6D2-E4 VanDerWaalsContact C-N 3.31Å; D2-E4 PolarHBondContact O-N 3.17Å; E4-V6 PolarHBondContact O-N 3.21Å
5E40.2Very low58.1Low170 Ų170114.7 Ų114.779%0.79464%0.637SS**  trans-52.9103.4160.4-85.6-177.7155.200103.8A3 N7A3-E5 VanDerWaalsContact C-N 3.3Å; A3-E5 PolarHBondContact O-N 3.38Å; E5-N7 PolarHBondContact O-N 2.77Å
6V37.8Very low60.5Low118 Ų118107.8 Ų107.872%0.71560%0.599SS**  trans-58.395.7170.7179.30000103.9E4 Q8E4-V6 PolarHBondContact O-N 3.21Å; V6-Q8 HydrophobicContact CG1-CG 4.13Å; V6-Q8 PolarHBondContact O-N 3.14Å
7N37.5Very low62.4Low144 Ų144109.5 Ų109.577%0.7761%0.613SS**  trans-63.673.2163.2-88.4-43.5000105.7E5 V9E5-N7 PolarHBondContact O-N 2.77Å; N7-V9 PolarHBondContact O-N 3.48Å
8Q42.1Very low64.2Low154 Ų154110.3 Ų110.372%0.7261%0.611SS**  trans-56.2103.6152.7-93.1179.6500103.8V6 D10V6-Q8 HydrophobicContact CG1-CG 4.13Å; V6-Q8 PolarHBondContact O-N 3.14Å; Q8-D10 PolarHBondContact O-N 2.92Å
9V47.2Very low65.8Low126 Ų126111.3 Ų111.376%0.76461%0.611SS**  trans-57.595.9164.8179.90000104.5N7 C11N7-V9 PolarHBondContact O-N 3.48Å; V9-C11 PolarHBondContact O-N 3.35Å; V9-C11 PolarHBondContact O-SG 3.14Å; V9-C11 VanDerWaalsContact O-SG 3.38Å
10D56.1Low67.4Low50 Ų50109.3 Ų109.327%0.26760%0.599SS.*  trans-57.5112.2-176.2-158.6-1.7000106.3Q8 G12 I24 R96Q8-D10 PolarHBondContact O-N 2.92Å; D10-G12 PolarHBondContact O-N 3.33Å; D10-I24 HydrophobicContact CB-CG2 4.26Å; D10-I24 WeakPolarHBondContact OD2-CB 3.35Å; D10-I24 VanDerWaalsContact OD2-CG2 3.31Å; D10-I24 WeakPolarHBondContact OD2-CG2 3.48Å; D10-R96 WeakPolarHBondContact OD2-CD 3.47Å; D10-R96 IonicContact OD2-CZ 3.75Å; D10-R96 IonicContact OD2-NE 2.71Å; D10-R96 PolarHBondContact OD2-NE 2.91Å
11C77.8Confident68.7Low116 Ų116105.1 Ų105.178%0.78458%0.582SS**  trans-73.320.2-173.5-65.90000112.9V9V9-C11 PolarHBondContact O-N 3.35Å; V9-C11 PolarHBondContact O-SG 3.14Å; V9-C11 VanDerWaalsContact O-SG 3.38Å
12G89.8Confident71.6Confident23 Ų2394 Ų9424%0.23753%0.528CS..SBendtrans-101.4171.4-176.300000114.2D10 K25D10-G12 PolarHBondContact O-N 3.33Å; G12-K25 CarbonylContact C-O 3.47Å; G12-K25 WeakPolarHBondContact CA-O 3.44Å
13V95.6Very high74.5Confident98 Ų9886.5 Ų86.559%0.59449%0.487SS*.EExtended strand (participates in β ladder)trans-94.1132.1176.6-178.90000109.2L15 I24 K25V13-L15 HydrophobicContact CB-CD2 4.45Å; V13-L15 HydrophobicContact CG1-CD2 4.24Å; V13-L15 PolarHBondContact O-N 3.36Å; V13-I24 WeakPolarHBondContact O-CA 3.27Å; V13-K25 PolarHBondContact N-O 3Å; V13-K25 PolarHBondContact O-N 3.3Å
14D97.2Very high77.2Confident23 Ų2382.7 Ų82.712%0.12345%0.454CS..EExtended strand (participates in β ladder)trans-74.8119.9172-170.1-0.4000111T16 Q19 D20 G21 I24D14-T16 PolarHBondContact OD1-N 2.87Å; D14-T16 PolarHBondContact OD1-OG1 3.34Å; D14-Q19 PolarHBondContact O-NE2 2.95Å; D14-Q19 WeakPolarHBondContact OD2-CA 3.44Å; D14-D20 PolarHBondContact OD2-N 3Å; D14-G21 VanDerWaalsContact OD2-CA 3.26Å; D14-G21 WeakPolarHBondContact OD2-CA 3.44Å; D14-G21 PolarHBondContact OD2-N 3Å; D14-I24 HydrophobicContact CB-CD1 3.6Å
15L97.1Very high80Confident33 Ų3375.2 Ų75.217%0.17342%0.418CS..  trans-94-6.2-176.4-55.1-170.8000113.2V13 V23 K25 I82 A83 T86V13-L15 HydrophobicContact CB-CD2 4.45Å; V13-L15 HydrophobicContact CG1-CD2 4.24Å; V13-L15 PolarHBondContact O-N 3.36Å; L15-V23 HydrophobicContact CB-CB 4.36Å; L15-V23 HydrophobicContact CB-CG1 4.21Å; L15-V23 HydrophobicContact CD1-CG1 4.27Å; L15-V23 PolarHBondContact N-O 3.12Å; L15-K25 HydrophobicContact CD1-CB 3.65Å; L15-K25 HydrophobicContact CD1-CD 4.23Å; L15-K25 HydrophobicContact CD2-CB 4.1Å; L15-K25 HydrophobicContact CG-CB 3.91Å; L15-I82 HydrophobicContact CB-CG2 3.61Å; L15-I82 HydrophobicContact CD1-CG2 4.48Å; L15-A83 HydrophobicContact CD1-CB 4.22Å; L15-T86 HydrophobicContact CD1-CG2 3.95Å; L15-T86 WeakPolarHBondContact CD1-OG1 3.43Å; L15-T86 HydrophobicContact CD2-CG2 4.06Å; L15-T86 HydrophobicContact CG-CG2 4.48Å
16T96.4Very high82.8Confident3 Ų370 Ų702%0.01839%0.394CS..  trans-76.2146.7-179.8720000110.8D14 E18 Q19 D20 V23 Y101D14-T16 PolarHBondContact OD1-N 2.87Å; D14-T16 PolarHBondContact OD1-OG1 3.34Å; T16-E18 PolarHBondContact O-N 3.48Å; T16-Q19 PolarHBondContact O-N 3.2Å; T16-Q19 PolarHBondContact O-NE2 3.08Å; T16-Q19 PolarHBondContact OG1-N 2.98Å; T16-D20 WeakPolarHBondContact CB-OD1 3.44Å; T16-D20 WeakPolarHBondContact CG2-OD1 3.31Å; T16-D20 PolarHBondContact OG1-N 2.87Å; T16-D20 VanDerWaalsContact OG1-N 3.12Å; T16-D20 PolarHBondContact OG1-OD1 3.47Å; T16-V23 HydrophobicContact CG2-CB 3.78Å; T16-V23 HydrophobicContact CG2-CG2 3.72Å; T16-Y101 HydrophobicContact CG2-CD2 4.45Å; T16-Y101 HydrophobicContact CG2-CE1 4.01Å; T16-Y101 HydrophobicContact CG2-CE2 3.88Å
17T93.5Very high85.6Confident137 Ų13767.5 Ų67.584%0.8438%0.376SS*.THydrogen-bonded Turntrans-65.9-33.7178.3-58.90000110.8Q19T17-Q19 VanDerWaalsContact C-N 3.27Å; T17-Q19 PolarHBondContact O-N 3.36Å
18E94.6Very high88.5Confident124 Ų12464.3 Ų64.358%0.57936%0.359SS*.THydrogen-bonded Turntrans-76.2-10.8178-61.583174.200113.6T16 D20 Y101T16-E18 PolarHBondContact O-N 3.48Å; E18-D20 HydrophobicContact CB-CB 4.2Å; E18-D20 PolarHBondContact O-N 3.34Å; E18-Y101 PolarHBondContact OE2-OH 3.02Å
19Q94.9Very high91.1Very high130 Ų13062.8 Ų62.861%0.60735%0.349SS*.  trans5143.9-173.7-62.1-73.1-68.700111.7D14 T16 T17D14-Q19 PolarHBondContact O-NE2 2.95Å; D14-Q19 WeakPolarHBondContact OD2-CA 3.44Å; T16-Q19 PolarHBondContact O-N 3.2Å; T16-Q19 PolarHBondContact O-NE2 3.08Å; T16-Q19 PolarHBondContact OG1-N 2.98Å; T17-Q19 VanDerWaalsContact C-N 3.27Å; T17-Q19 PolarHBondContact O-N 3.36Å
20D96.2Very high93.5Very high70 Ų7062.3 Ų62.337%0.37434%0.339SS..  trans-93.510.1-174.969.1-9.5000113.8D14 T16 E18 G22 K100 Y101D14-D20 PolarHBondContact OD2-N 3Å; T16-D20 WeakPolarHBondContact CB-OD1 3.44Å; T16-D20 WeakPolarHBondContact CG2-OD1 3.31Å; T16-D20 PolarHBondContact OG1-N 2.87Å; T16-D20 VanDerWaalsContact OG1-N 3.12Å; T16-D20 PolarHBondContact OG1-OD1 3.47Å; E18-D20 HydrophobicContact CB-CB 4.2Å; E18-D20 PolarHBondContact O-N 3.34Å; D20-G22 PolarHBondContact O-N 2.89Å; D20-G22 PolarHBondContact OD1-N 2.9Å; D20-G22 VanDerWaalsContact OD1-N 3.11Å; D20-K100 IonicContact OD2-NZ 3.57Å; D20-K100 PolarHBondContact OD2-NZ 3.46Å; D20-Y101 VanDerWaalsContact CG-OH 3.24Å; D20-Y101 WeakPolarHBondContact OD1-CE2 3.49Å; D20-Y101 PolarHBondContact OD1-OH 3.28Å; D20-Y101 VanDerWaalsContact OD1-OH 3.11Å; D20-Y101 WeakPolarHBondContact OD2-CE2 3.33Å; D20-Y101 PolarHBondContact OD2-OH 3.01Å
21G94.6Very high95.4Very high23 Ų2360.8 Ų60.824%0.23734%0.335CS..SBendtrans67.814.3-176.800000113.7D14 R96D14-G21 VanDerWaalsContact OD2-CA 3.26Å; D14-G21 WeakPolarHBondContact OD2-CA 3.44Å; D14-G21 PolarHBondContact OD2-N 3Å; G21-R96 PolarHBondContact O-NH2 3.47Å
22G96.8Very high96.1Very high2 Ų259 Ų592%0.02132%0.32CS..SBendtrans-77.1-25.3-170.500000114.8D20 A98D20-G22 PolarHBondContact O-N 2.89Å; D20-G22 PolarHBondContact OD1-N 2.9Å; D20-G22 VanDerWaalsContact OD1-N 3.11Å; G22-A98 PolarHBondContact O-N 3.2Å
23V98.2Very high95.9Very high0 Ų063.6 Ų63.60%034%0.339CS..EExtended strand (participates in β ladder)trans-141.297.7177.9-174.70000108.6L15 T16 I82 I95 R96 Y101L15-V23 HydrophobicContact CB-CB 4.36Å; L15-V23 HydrophobicContact CB-CG1 4.21Å; L15-V23 HydrophobicContact CD1-CG1 4.27Å; L15-V23 PolarHBondContact N-O 3.12Å; T16-V23 HydrophobicContact CG2-CB 3.78Å; T16-V23 HydrophobicContact CG2-CG2 3.72Å; V23-I82 HydrophobicContact CB-CG2 4.29Å; V23-I82 HydrophobicContact CG1-CB 4.48Å; V23-I82 HydrophobicContact CG1-CG2 4.08Å; V23-I82 HydrophobicContact CG2-CD1 4.11Å; V23-I82 HydrophobicContact CG2-CG2 4.44Å; V23-I95 HydrophobicContact CG1-CG2 3.89Å; V23-R96 CarbonylContact C-O 3.42Å; V23-R96 VanDerWaalsContact CA-O 3.32Å; V23-R96 WeakPolarHBondContact CA-O 3.45Å; V23-Y101 HydrophobicContact CG2-CD1 4.12Å; V23-Y101 HydrophobicContact CG2-CD2 4.14Å; V23-Y101 HydrophobicContact CG2-CG 3.77Å
24I98.3Very high95.6Very high15 Ų1565.5 Ų65.58%0.07734%0.341CS..EExtended strand (participates in β ladder)trans-100.8131.1179.9-53.9-56.9000110D10 V13 D14 I95 R96D10-I24 HydrophobicContact CB-CG2 4.26Å; D10-I24 WeakPolarHBondContact OD2-CB 3.35Å; D10-I24 VanDerWaalsContact OD2-CG2 3.31Å; D10-I24 WeakPolarHBondContact OD2-CG2 3.48Å; V13-I24 WeakPolarHBondContact O-CA 3.27Å; D14-I24 HydrophobicContact CB-CD1 3.6Å; I24-I95 CarbonylContact O-C 3.51Å; I24-I95 VanDerWaalsContact O-CA 3.28Å; I24-I95 WeakPolarHBondContact O-CA 3.2Å; I24-R96 HydrophobicContact CB-CB 4.33Å; I24-R96 VanDerWaalsContact CG1-NH2 3.32Å; I24-R96 PolarHBondContact N-O 3.4Å; I24-R96 PolarHBondContact O-N 3.16Å
25K98.2Very high95.2Very high21 Ų2166.8 Ų66.89%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-111.7126.5175.7177.1171.488.3158.90112.1G12 V13 L15 T86 E91 A93 I95G12-K25 CarbonylContact C-O 3.47Å; G12-K25 WeakPolarHBondContact CA-O 3.44Å; V13-K25 PolarHBondContact N-O 3Å; V13-K25 PolarHBondContact O-N 3.3Å; L15-K25 HydrophobicContact CD1-CB 3.65Å; L15-K25 HydrophobicContact CD1-CD 4.23Å; L15-K25 HydrophobicContact CD2-CB 4.1Å; L15-K25 HydrophobicContact CG-CB 3.91Å; K25-T86 WeakPolarHBondContact CE-OG1 3.3Å; K25-T86 PolarHBondContact NZ-O 3.2Å; K25-T86 PolarHBondContact NZ-OG1 2.91Å; K25-T86 VanDerWaalsContact NZ-OG1 3.16Å; K25-E91 IonicContact NZ-OE1 3.45Å; K25-E91 PolarHBondContact NZ-OE1 3.28Å; K25-E91 IonicContact NZ-OE2 2.6Å; K25-A93 HydrophobicContact CD-CB 4.02Å; K25-A93 HydrophobicContact CG-CB 3.98Å; K25-I95 HydrophobicContact CB-CD1 3.67Å; K25-I95 HydrophobicContact CD-CD1 3.88Å; K25-I95 HydrophobicContact CG-CD1 3.49Å; K25-I95 VanDerWaalsContact CG-CD1 3.49Å
26E97.8Very high95Very high61 Ų6169.7 Ų69.729%0.28537%0.368SS..EExtended strand (participates in β ladder)trans-114124.2168179.6-173-17900108.7L28 A93 K94E26-L28 HydrophobicContact CG-CD2 4.46Å; E26-A93 CarbonylContact O-C 3.47Å; E26-A93 VanDerWaalsContact O-CA 3.31Å; E26-A93 WeakPolarHBondContact O-CA 3.47Å; E26-K94 HydrophobicContact CB-CB 4.35Å; E26-K94 PolarHBondContact N-O 3Å; E26-K94 PolarHBondContact O-N 3.4Å; E26-K94 IonicContact OE2-NZ 2.84Å; E26-K94 PolarHBondContact OE2-NZ 2.87Å
27I97.5Very high94.9Very high64 Ų6469.5 Ų69.533%0.32837%0.367SS..EExtended strand (participates in β ladder)trans-80.5123.5178.3-59.7174.6000108.9E30 E91I27-E30 HydrophobicContact CG2-CG 4.44Å; I27-E91 HydrophobicContact CG2-CG 4.33Å
28L97.6Very high94.9Very high78 Ų7864.2 Ų64.241%0.40833%0.334SS..EExtended strand (participates in β ladder)trans-95.7-30176.1-56.6-178.1000112.1E26 L92 K94 E121E26-L28 HydrophobicContact CG-CD2 4.46Å; L28-L92 WeakPolarHBondContact CA-O 3.39Å; L28-L92 HydrophobicContact CB-CB 4.47Å; L28-L92 HydrophobicContact CB-CD2 4.11Å; L28-L92 HydrophobicContact CB-CG 4.07Å; L28-L92 WeakPolarHBondContact CB-O 3.34Å; L28-L92 HydrophobicContact CD1-CD2 4.29Å; L28-L92 HydrophobicContact CD1-CG 4.2Å; L28-L92 PolarHBondContact N-O 3.39Å; L28-K94 HydrophobicContact CD1-CB 4.05Å; L28-K94 HydrophobicContact CD2-CB 4.17Å; L28-K94 HydrophobicContact CG-CB 4.11Å; L28-E121 HydrophobicContact CD1-CG 4.22Å
29K97.9Very high94.7Very high121 Ų12161.9 Ų61.953%0.52633%0.329SS..EExtended strand (participates in β ladder)trans-149.3127.5173.2-175.6-165.4168.4-164.30108.5E91 L92K29-E91 WeakPolarHBondContact O-CA 3.27Å; K29-L92 HydrophobicContact CB-CB 3.82Å; K29-L92 PolarHBondContact N-O 2.88Å; K29-L92 PolarHBondContact O-N 2.91Å
30E97.1Very high94.4Very high117 Ų11756.1 Ų56.155%0.54730%0.304SS..  trans-61.6141.5175.9-65.9-62.7163.100112I27I27-E30 HydrophobicContact CG2-CG 4.44Å
31G95.2Very high94.4Very high17 Ų1752.8 Ų52.818%0.17529%0.286CS..  trans-83-174.9167.900000112.4L89G31-L89 CarbonylContact C-O 3.58Å; G31-L89 WeakPolarHBondContact CA-O 3.39Å
32V93.7Very high94.4Very high78 Ų7855.5 Ų55.547%0.47329%0.291SS..BIsolated β-bridgetrans-101.5154.8172-56.40000110.7L89V32-L89 HydrophobicContact CG2-CB 3.76Å; V32-L89 HydrophobicContact CG2-CD2 3.83Å; V32-L89 HydrophobicContact CG2-CG 4.02Å; V32-L89 PolarHBondContact N-O 3.25Å
33D86.1Confident94.5Very high120 Ų12055.4 Ų55.464%0.64229%0.29SS*.SBendtrans57.2177.7179.2-52.4-39.1000114.1R88D33-R88 VanDerWaalsContact O-CD 3.3Å; D33-R88 WeakPolarHBondContact O-CD 3.38Å; D33-R88 PolarHBondContact O-NH1 3.35Å
34E87.9Confident94.5Very high138 Ų13855.9 Ų55.965%0.64529%0.293SS*.SBendtrans-95.4-6.1175.3-65.4-64.9138.800112R88E34-R88 VanDerWaalsContact CD-NH2 3.29Å; E34-R88 IonicContact OE1-CZ 3.09Å; E34-R88 IonicContact OE1-NH1 3.95Å; E34-R88 PolarHBondContact OE1-NH1 3.41Å; E34-R88 IonicContact OE1-NH2 4Å; E34-R88 PolarHBondContact OE1-NH2 3.03Å; E34-R88 IonicContact OE2-CZ 2.74Å; E34-R88 IonicContact OE2-NH1 2.8Å; E34-R88 PolarHBondContact OE2-NH1 3.26Å; E34-R88 IonicContact OE2-NH2 3.65Å; E34-R88 PolarHBondContact OE2-NH2 2.65Å
35A89Confident94.5Very high51 Ų5155.2 Ų55.242%0.42129%0.289SS..  trans-75138.7-175.700000111.7W127A35-W127 HydrophobicContact CB-CH2 4.23Å; A35-W127 HydrophobicContact CB-CZ2 4.03Å; A35-W127 WeakPolarHBondContact O-CH2 3.4Å
36H93.5Very high94.5Very high93 Ų9355.5 Ų55.543%0.43129%0.291SS..  trans-134152.4176.553.778.5000109.6K85 M87H36-K85 VanDerWaalsContact CG-O 3.29Å; H36-K85 PolarHBondContact ND1-O 2.95Å; H36-M87 WeakPolarHBondContact CA-O 3.23Å; H36-M87 VanDerWaalsContact CB-O 3.24Å; H36-M87 WeakPolarHBondContact CB-O 3.29Å
37P94.4Very high94.5Very high0 Ų053.8 Ų53.80%028%0.282CS..  trans-66.6145179.128.1-33.9000110.6N41 V43 V71 I84 M87 L124 W127P37-N41 WeakPolarHBondContact CA-OD1 3.36Å; P37-N41 HydrophobicContact CB-CB 4.11Å; P37-V43 HydrophobicContact CB-CG1 3.53Å; P37-V43 HydrophobicContact CG-CG1 3.73Å; P37-V71 HydrophobicContact CB-CG2 4.5Å; P37-I84 HydrophobicContact CG-CG2 3.72Å; P37-I84 VanDerWaalsContact CG-O 3.29Å; P37-I84 WeakPolarHBondContact CG-O 3.5Å; P37-M87 VanDerWaalsContact CD-O 3.29Å; P37-M87 WeakPolarHBondContact CD-O 3.42Å; P37-L124 HydrophobicContact CG-CD2 4.02Å; P37-W127 HydrophobicContact CB-CB 4.17Å; P37-W127 HydrophobicContact CB-CD2 4.18Å; P37-W127 HydrophobicContact CB-CG 3.98Å
38T92.8Very high94.5Very high25 Ų2551.6 Ų51.615%0.15327%0.272CS..  trans-112.8169.6176.964.30000111.1G40 N41 V144T38-G40 PolarHBondContact O-N 3Å; T38-N41 PolarHBondContact N-OD1 3.15Å; T38-N41 WeakPolarHBondContact O-CB 3.33Å; T38-N41 PolarHBondContact O-N 3.27Å; T38-V144 WeakPolarHBondContact CB-O 3.44Å; T38-V144 VanDerWaalsContact CG2-O 3.28Å; T38-V144 WeakPolarHBondContact CG2-O 3.28Å; T38-V144 PolarHBondContact OG1-O 2.91Å
39T90.8Very high94.5Very high76 Ų7647.9 Ų47.947%0.46625%0.252SS..THydrogen-bonded Turntrans-51.2128.2177.3-60.80000110.8V71 K85T39-V71 WeakPolarHBondContact CA-O 3.15Å; T39-K85 WeakPolarHBondContact OG1-CE 3.33Å; T39-K85 PolarHBondContact OG1-NZ 3.27Å
40G89.5Confident94.5Very high8 Ų844.7 Ų44.78%0.08224%0.238CC..THydrogen-bonded Turntrans96.8-17.2-176.800000114.7T38 V70 V71T38-G40 PolarHBondContact O-N 3Å; G40-V70 WeakPolarHBondContact O-CG1 3.44Å; G40-V71 PolarHBondContact N-O 2.9Å
41N94.4Very high94.5Very high1 Ų140.3 Ų40.31%0.00522%0.218CC..  trans-67.6141171.4-71.4152.3000111.3P37 T38 V70 V71 W127 E128 G129 T143P37-N41 WeakPolarHBondContact CA-OD1 3.36Å; P37-N41 HydrophobicContact CB-CB 4.11Å; T38-N41 PolarHBondContact N-OD1 3.15Å; T38-N41 WeakPolarHBondContact O-CB 3.33Å; T38-N41 PolarHBondContact O-N 3.27Å; N41-V70 WeakPolarHBondContact O-CA 3.42Å; N41-V71 PolarHBondContact O-N 3.41Å; N41-W127 HydrophobicContact CB-CB 4.41Å; N41-E128 CarbonylContact C-O 3.54Å; N41-E128 VanDerWaalsContact CA-O 3.27Å; N41-E128 WeakPolarHBondContact CA-O 3.46Å; N41-E128 WeakPolarHBondContact CB-O 3.45Å; N41-E128 PolarHBondContact ND2-O 2.99Å; N41-G129 WeakPolarHBondContact ND2-CA 3.34Å; N41-T143 PolarHBondContact ND2-OG1 2.85Å; N41-T143 VanDerWaalsContact ND2-OG1 3.08Å; N41-T143 WeakPolarHBondContact OD1-CG2 3.16Å
42K96Very high94.5Very high79 Ų7945.3 Ų45.334%0.34324%0.24SC..EExtended strand (participates in β ladder)trans-88.4111.7168.3-173.9177.9-178.2178.90108.5F44 S68 F69 V70 W127 E128K42-F44 HydrophobicContact CB-CE2 4.45Å; K42-F44 HydrophobicContact CD-CE2 4.17Å; K42-F44 HydrophobicContact CD-CZ 3.78Å; K42-F44 HydrophobicContact CG-CE2 3.93Å; K42-F44 HydrophobicContact CG-CZ 4.01Å; K42-S68 VanDerWaalsContact CE-OG 3.32Å; K42-S68 WeakPolarHBondContact CE-OG 3.45Å; K42-F69 WeakPolarHBondContact CA-O 3.5Å; K42-V70 HydrophobicContact CB-CG2 4.45Å; K42-W127 CarbonylContact O-C 3.56Å; K42-W127 WeakPolarHBondContact O-CA 3.47Å; K42-E128 HydrophobicContact CB-CB 4.5Å; K42-E128 PolarHBondContact N-O 3.42Å; K42-E128 PolarHBondContact O-N 2.72Å
43V97.7Very high94.6Very high0 Ų047.3 Ų47.30%025%0.248CC..EExtended strand (participates in β ladder)trans-95.3157179.4-64.80000110.8P37 V45 S68 F69 V71 I84 L124 W127P37-V43 HydrophobicContact CB-CG1 3.53Å; P37-V43 HydrophobicContact CG-CG1 3.73Å; V43-V45 HydrophobicContact CG2-CG1 4.46Å; V43-S68 WeakPolarHBondContact O-CA 3.36Å; V43-S68 WeakPolarHBondContact O-CB 3.48Å; V43-F69 HydrophobicContact CG2-CD1 3.65Å; V43-F69 HydrophobicContact CG2-CD2 4.35Å; V43-F69 HydrophobicContact CG2-CE1 3.28Å; V43-F69 HydrophobicContact CG2-CE2 4.04Å; V43-F69 HydrophobicContact CG2-CG 4.17Å; V43-F69 HydrophobicContact CG2-CZ 3.5Å; V43-F69 PolarHBondContact N-O 2.92Å; V43-F69 PolarHBondContact O-N 3.08Å; V43-V71 HydrophobicContact CB-CG2 4.32Å; V43-V71 HydrophobicContact CG1-CG2 3.46Å; V43-V71 VanDerWaalsContact CG1-CG2 3.46Å; V43-V71 HydrophobicContact CG2-CG2 3.88Å; V43-I84 HydrophobicContact CB-CG2 4.42Å; V43-I84 HydrophobicContact CG1-CG2 3.85Å; V43-I84 HydrophobicContact CG2-CG2 4.17Å; V43-L124 HydrophobicContact CB-CD1 4.16Å; V43-L124 HydrophobicContact CG1-CD1 4.29Å; V43-W127 HydrophobicContact CB-CB 4.48Å; V43-W127 HydrophobicContact CG1-CB 3.85Å
44F98.1Very high95Very high11 Ų1143.7 Ų43.75%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-131.4123.9176.2-60.2-98.8000108K42 E66 F67 S68 L125 R126 E128K42-F44 HydrophobicContact CB-CE2 4.45Å; K42-F44 HydrophobicContact CD-CE2 4.17Å; K42-F44 HydrophobicContact CD-CZ 3.78Å; K42-F44 HydrophobicContact CG-CE2 3.93Å; K42-F44 HydrophobicContact CG-CZ 4.01Å; F44-E66 HydrophobicContact CD1-CG 4.31Å; F44-E66 WeakPolarHBondContact CD1-OE1 3.48Å; F44-F67 WeakPolarHBondContact CA-O 3.37Å; F44-S68 VanDerWaalsContact CD1-CB 3.43Å; F44-L125 VanDerWaalsContact O-CB 3.32Å; F44-L125 WeakPolarHBondContact O-CB 3.47Å; F44-L125 PolarHBondContact O-N 3.41Å; F44-R126 HydrophobicContact CB-CG 3.76Å; F44-R126 HydrophobicContact CD2-CG 3.88Å; F44-R126 VanDerWaalsContact CD2-CZ 3.43Å; F44-R126 HydrophobicContact CG-CG 4.05Å; F44-R126 VanDerWaalsContact CZ-NH1 3.31Å; F44-R126 PolarHBondContact N-O 3.44Å; F44-R126 PolarHBondContact O-N 3.14Å; F44-E128 HydrophobicContact CE2-CG 3.94Å; F44-E128 WeakPolarHBondContact CE2-OE1 3.17Å; F44-E128 WeakPolarHBondContact CZ-OE1 3.4Å
45V98.4Very high95.5Very high0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-137.9151.4-169.1-56.70000111.7V43 Y47 F67 F80 I84 I122 E123 L124V43-V45 HydrophobicContact CG2-CG1 4.46Å; V45-Y47 HydrophobicContact CG2-CD1 4.33Å; V45-F67 HydrophobicContact CG2-CB 4.16Å; V45-F67 HydrophobicContact CG2-CD1 4.02Å; V45-F67 PolarHBondContact N-O 3.02Å; V45-F67 PolarHBondContact O-N 3.12Å; V45-F80 HydrophobicContact CG2-CE1 4.39Å; V45-F80 HydrophobicContact CG2-CZ 4.29Å; V45-I84 HydrophobicContact CG1-CD1 3.69Å; V45-I122 HydrophobicContact CB-CG2 4.23Å; V45-I122 HydrophobicContact CG1-CG2 4.32Å; V45-E123 CarbonylContact C-O 3.59Å; V45-E123 WeakPolarHBondContact CA-O 3.35Å; V45-E123 WeakPolarHBondContact CB-O 3.46Å; V45-L124 HydrophobicContact CG1-CD1 3.9Å
46H98.3Very high95.8Very high28 Ų2841.9 Ų41.913%0.1323%0.233CC..EExtended strand (participates in β ladder)trans-98.5143153.8-83.1-54.6000110.4S60 R61 I122 E123H46-S60 VanDerWaalsContact CA-OG 3.29Å; H46-S60 WeakPolarHBondContact CA-OG 3.29Å; H46-S60 PolarHBondContact ND1-OG 3.37Å; H46-S60 VanDerWaalsContact ND1-OG 3.12Å; H46-R61 HydrophobicContact CB-CG 4.23Å; H46-I122 CarbonylContact O-C 3.54Å; H46-I122 WeakPolarHBondContact O-CA 3.46Å; H46-E123 HydrophobicContact CB-CB 4.21Å; H46-E123 PolarHBondContact N-O 3.22Å; H46-E123 PolarHBondContact O-N 2.95Å
47Y98Very high96Very high24 Ų2438.1 Ų38.19%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-145.5158.8174.173.4-88.8000113.6V45 D58 S59 S60 F67 F80 F120 E121V45-Y47 HydrophobicContact CG2-CD1 4.33Å; Y47-D58 HydrophobicContact CE2-CB 4.12Å; Y47-D58 WeakPolarHBondContact CE2-OD2 3.46Å; Y47-D58 PolarHBondContact OH-OD2 3.04Å; Y47-S59 VanDerWaalsContact O-CA 3.31Å; Y47-S59 WeakPolarHBondContact O-CA 3.35Å; Y47-S59 PolarHBondContact O-OG 3.34Å; Y47-S60 PolarHBondContact N-OG 3.21Å; Y47-S60 PolarHBondContact O-N 2.91Å; Y47-F67 HydrophobicContact CD1-CB 4.07Å; Y47-F67 HydrophobicContact CD1-CD1 4.27Å; Y47-F67 HydrophobicContact CD1-CG 4.43Å; Y47-F67 HydrophobicContact CE1-CB 3.67Å; Y47-F67 AromaticContact CE1-CD1 3.83Å; Y47-F67 HydrophobicContact CE1-CD1 3.83Å; Y47-F67 AromaticContact CE1-CG 3.77Å; Y47-F67 HydrophobicContact CE1-CG 3.77Å; Y47-F80 HydrophobicContact CD1-CZ 4.39Å; Y47-F80 HydrophobicContact CG-CE2 4.35Å; Y47-F80 HydrophobicContact CG-CZ 4.36Å; Y47-F120 AromaticContact CD2-CD1 3.93Å; Y47-F120 HydrophobicContact CD2-CD1 3.93Å; Y47-F120 AromaticContact CD2-CE1 3.93Å; Y47-F120 HydrophobicContact CD2-CE1 3.93Å; Y47-F120 HydrophobicContact CE2-CE1 4.21Å; Y47-E121 CarbonylContact C-O 3.57Å; Y47-E121 WeakPolarHBondContact CA-O 3.42Å
48V98Very high96Very high19 Ų1941.3 Ų41.312%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-132.3119.2167.1-173.70000107.5K50 V56 F120 E121V48-K50 HydrophobicContact CG1-CG 4.16Å; V48-V56 HydrophobicContact CG1-CG1 3.94Å; V48-V56 HydrophobicContact CG1-CG2 4.24Å; V48-F120 CarbonylContact O-C 3.25Å; V48-F120 VanDerWaalsContact O-CA 3.31Å; V48-F120 WeakPolarHBondContact O-CA 3.47Å; V48-E121 HydrophobicContact CB-CB 4.48Å; V48-E121 PolarHBondContact N-O 3.39Å; V48-E121 PolarHBondContact O-N 2.97Å
49G97.8Very high96.2Very high0 Ų040.9 Ų40.90%023%0.23CC..EExtended strand (participates in β ladder)trans-100.8126.9176.100000111.3V56 F57 D58 I119G49-V56 CarbonylContact O-C 3.53Å; G49-V56 WeakPolarHBondContact O-CA 3.39Å; G49-F57 WeakPolarHBondContact O-CD1 3.48Å; G49-F57 PolarHBondContact O-N 2.94Å; G49-D58 PolarHBondContact N-O 3.43Å; G49-D58 PolarHBondContact O-N 2.73Å; G49-I119 CarbonylContact C-O 3.45Å
50K98.1Very high96.5Very high53 Ų5337.6 Ų37.623%0.2321%0.211CC..EExtended strand (participates in β ladder)trans-129.3146.9-177.5-57.1177-173.6162.60111.3V48 T55 V56 F57 I119 E121V48-K50 HydrophobicContact CG1-CG 4.16Å; K50-T55 CarbonylContact C-O 3.52Å; K50-T55 VanDerWaalsContact CA-O 3.25Å; K50-T55 WeakPolarHBondContact CA-O 3.41Å; K50-V56 HydrophobicContact CD-CG2 4.42Å; K50-V56 HydrophobicContact CG-CG2 3.96Å; K50-F57 VanDerWaalsContact N-CE1 3.26Å; K50-F57 WeakPolarHBondContact O-CE1 3.29Å; K50-I119 HydrophobicContact CB-CB 4.43Å; K50-I119 PolarHBondContact N-O 3.37Å; K50-I119 PolarHBondContact O-N 3Å; K50-E121 IonicContact NZ-OE1 3.86Å; K50-E121 PolarHBondContact NZ-OE1 2.98Å
51L97.7Very high96.6Very high25 Ų2542 Ų4213%0.13122%0.224CC..EExtended strand (participates in β ladder)trans-75.2168162.8-59.4179000109.7D53 G54 T55 F57 A116 L118L51-D53 WeakPolarHBondContact CB-OD1 3.43Å; L51-D53 PolarHBondContact O-N 2.81Å; L51-G54 PolarHBondContact O-N 3.19Å; L51-T55 PolarHBondContact N-O 3.41Å; L51-F57 HydrophobicContact CD2-CD1 4Å; L51-F57 HydrophobicContact CD2-CE1 4.33Å; L51-F57 HydrophobicContact CG-CD1 4.12Å; L51-A116 HydrophobicContact CD2-CB 4.09Å; L51-L118 HydrophobicContact CD2-CD2 4.18Å
52L95.2Very high96.4Very high122 Ų12248 Ų4864%0.63926%0.261SS*.THydrogen-bonded Turntrans-59.9-26.6178.8-72.4178.1000113.6G54 T117 I119L52-G54 PolarHBondContact O-N 3.4Å; L52-T117 HydrophobicContact CD1-CG2 4.27Å; L52-T117 HydrophobicContact CD2-CG2 4.03Å; L52-T117 HydrophobicContact CG-CG2 4.22Å; L52-I119 HydrophobicContact CD2-CD1 3.94Å; L52-I119 HydrophobicContact CD2-CG1 4Å
53D94.5Very high95.9Very high120 Ų12047.8 Ų47.864%0.64228%0.275SS*.THydrogen-bonded Turntrans-76.6-1.1175.269.8-1000113.5L51 T55L51-D53 WeakPolarHBondContact CB-OD1 3.43Å; L51-D53 PolarHBondContact O-N 2.81Å; D53-T55 VanDerWaalsContact CG-OG1 3.25Å; D53-T55 WeakPolarHBondContact OD1-CB 3.37Å; D53-T55 PolarHBondContact OD1-N 2.97Å; D53-T55 PolarHBondContact OD1-OG1 2.88Å; D53-T55 PolarHBondContact OD2-OG1 2.84Å; D53-T55 VanDerWaalsContact OD2-OG1 3.12Å
54G95.2Very high95.5Very high44 Ų4454.6 Ų54.645%0.45431%0.311SS..  trans88.8-4.7-17800000114.7L51 L52 V56L51-G54 PolarHBondContact O-N 3.19Å; L52-G54 PolarHBondContact O-N 3.4Å; G54-V56 PolarHBondContact O-N 2.93Å; G54-V56 VanDerWaalsContact O-N 3.17Å
55T97.1Very high95.3Very high73 Ų7361.4 Ų61.445%0.44834%0.341SS..  trans-62.5116.3178.5-60.50000110.3K50 L51 D53 F57K50-T55 CarbonylContact C-O 3.52Å; K50-T55 VanDerWaalsContact CA-O 3.25Å; K50-T55 WeakPolarHBondContact CA-O 3.41Å; L51-T55 PolarHBondContact N-O 3.41Å; D53-T55 VanDerWaalsContact CG-OG1 3.25Å; D53-T55 WeakPolarHBondContact OD1-CB 3.37Å; D53-T55 PolarHBondContact OD1-N 2.97Å; D53-T55 PolarHBondContact OD1-OG1 2.88Å; D53-T55 PolarHBondContact OD2-OG1 2.84Å; D53-T55 VanDerWaalsContact OD2-OG1 3.12Å; T55-F57 PolarHBondContact O-N 3.29Å
56V97.1Very high95.3Very high79 Ų7964.9 Ų64.948%0.47936%0.357SS..EExtended strand (participates in β ladder)trans-73.5116.1175.3-177.40000109.1V48 G49 K50 G54V48-V56 HydrophobicContact CG1-CG1 3.94Å; V48-V56 HydrophobicContact CG1-CG2 4.24Å; G49-V56 CarbonylContact O-C 3.53Å; G49-V56 WeakPolarHBondContact O-CA 3.39Å; K50-V56 HydrophobicContact CD-CG2 4.42Å; K50-V56 HydrophobicContact CG-CG2 3.96Å; G54-V56 PolarHBondContact O-N 2.93Å; G54-V56 VanDerWaalsContact O-N 3.17Å
57F96.1Very high95.2Very high14 Ų1466.8 Ų66.86%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-93-27.7175.458.3-102.2000112.4G49 K50 L51 T55 K111 I112 L118 F120G49-F57 WeakPolarHBondContact O-CD1 3.48Å; G49-F57 PolarHBondContact O-N 2.94Å; K50-F57 VanDerWaalsContact N-CE1 3.26Å; K50-F57 WeakPolarHBondContact O-CE1 3.29Å; L51-F57 HydrophobicContact CD2-CD1 4Å; L51-F57 HydrophobicContact CD2-CE1 4.33Å; L51-F57 HydrophobicContact CG-CD1 4.12Å; T55-F57 PolarHBondContact O-N 3.29Å; F57-K111 HydrophobicContact CB-CB 4.05Å; F57-K111 VanDerWaalsContact O-CD 3.28Å; F57-K111 WeakPolarHBondContact O-CD 3.41Å; F57-K111 PolarHBondContact O-NZ 3.45Å; F57-I112 HydrophobicContact CB-CG1 4.28Å; F57-I112 HydrophobicContact CD1-CG1 4.37Å; F57-I112 HydrophobicContact CD2-CD1 3.77Å; F57-I112 HydrophobicContact CD2-CG1 4.11Å; F57-I112 HydrophobicContact CE2-CD1 3.86Å; F57-I112 HydrophobicContact CG-CD1 4.17Å; F57-I112 HydrophobicContact CG-CG1 4.02Å; F57-I112 HydrophobicContact CZ-CD1 4.28Å; F57-L118 HydrophobicContact CE1-CB 4.43Å; F57-L118 HydrophobicContact CE1-CD2 3.82Å; F57-L118 HydrophobicContact CZ-CB 4.36Å; F57-L118 HydrophobicContact CZ-CD1 4.5Å; F57-L118 HydrophobicContact CZ-CD2 4.03Å; F57-F120 AromaticContact CE2-CE1 4Å; F57-F120 HydrophobicContact CE2-CE1 4Å; F57-F120 AromaticContact CE2-CZ 3.79Å; F57-F120 HydrophobicContact CE2-CZ 3.79Å; F57-F120 AromaticContact CZ-CE1 3.91Å; F57-F120 HydrophobicContact CZ-CE1 3.91Å; F57-F120 HydrophobicContact CZ-CE2 4.05Å; F57-F120 AromaticContact CZ-CZ 3.53Å; F57-F120 HydrophobicContact CZ-CZ 3.53Å
58D95.5Very high95.2Very high66 Ų6667.8 Ų67.835%0.35338%0.375SS..EExtended strand (participates in β ladder)trans-155.9151.4-178.7-164.118.7000112.9Y47 G49Y47-D58 HydrophobicContact CE2-CB 4.12Å; Y47-D58 WeakPolarHBondContact CE2-OD2 3.46Å; Y47-D58 PolarHBondContact OH-OD2 3.04Å; G49-D58 PolarHBondContact N-O 3.43Å; G49-D58 PolarHBondContact O-N 2.73Å
59S96.5Very high95.1Very high16 Ų1667 Ų6711%0.11237%0.371CS..EExtended strand (participates in β ladder)trans-162.8134173.4-178.90000112Y47 R61Y47-S59 VanDerWaalsContact O-CA 3.31Å; Y47-S59 WeakPolarHBondContact O-CA 3.35Å; Y47-S59 PolarHBondContact O-OG 3.34Å; S59-R61 VanDerWaalsContact C-N 3.29Å; S59-R61 PolarHBondContact OG-N 2.91Å; S59-R61 VanDerWaalsContact OG-N 3.09Å
60S96.3Very high95Very high8 Ų868.1 Ų68.16%0.05638%0.377CS..THydrogen-bonded Turntrans-77.3-16.1171.872.20000113.3H46 Y47 N64 K65H46-S60 VanDerWaalsContact CA-OG 3.29Å; H46-S60 WeakPolarHBondContact CA-OG 3.29Å; H46-S60 PolarHBondContact ND1-OG 3.37Å; H46-S60 VanDerWaalsContact ND1-OG 3.12Å; Y47-S60 PolarHBondContact N-OG 3.21Å; Y47-S60 PolarHBondContact O-N 2.91Å; S60-N64 PolarHBondContact O-N 3.32Å; S60-K65 WeakPolarHBondContact CB-O 3.49Å; S60-K65 PolarHBondContact O-N 2.82Å; S60-K65 VanDerWaalsContact O-O 3.13Å
61R93.4Very high94.9Very high99 Ų9965.6 Ų65.637%0.37437%0.366SS..THydrogen-bonded Turntrans-74.3-32.5178.4-60.5-169-172.3-81.12.3112.5H46 S59 A63 N64 E123H46-R61 HydrophobicContact CB-CG 4.23Å; S59-R61 VanDerWaalsContact C-N 3.29Å; S59-R61 PolarHBondContact OG-N 2.91Å; S59-R61 VanDerWaalsContact OG-N 3.09Å; R61-A63 VanDerWaalsContact C-N 3.25Å; R61-A63 PolarHBondContact O-N 3.35Å; R61-N64 PolarHBondContact O-N 3.02Å; R61-E123 IonicContact CZ-OE2 3.25Å; R61-E123 IonicContact NH1-OE2 2.72Å; R61-E123 PolarHBondContact NH1-OE2 3.41Å; R61-E123 IonicContact NH2-OE2 3.45Å; R61-E123 PolarHBondContact NH2-OE2 3.12Å
62T89.2Confident94.7Very high127 Ų12765.8 Ų65.878%0.77937%0.374SS*.THydrogen-bonded Turntrans-61.4-35.8176.3-50.90000112.1N64T62-N64 VanDerWaalsContact C-N 3.3Å
63A86.3Confident94.5Very high76 Ų7666.1 Ų66.163%0.62837%0.367SS*.THydrogen-bonded Turntrans-84.8-4.1175.300000113.4R61 K65R61-A63 VanDerWaalsContact C-N 3.25Å; R61-A63 PolarHBondContact O-N 3.35Å; A63-K65 HydrophobicContact CB-CB 4.32Å; A63-K65 PolarHBondContact O-N 3.5Å; A63-K65 VanDerWaalsContact O-N 3.14Å
64N89Confident94.4Very high143 Ų14367 Ų6777%0.76537%0.365SS*.THydrogen-bonded Turntrans4540.2-170.1-16338.9000113S60 R61 T62S60-N64 PolarHBondContact O-N 3.32Å; R61-N64 PolarHBondContact O-N 3.02Å; T62-N64 VanDerWaalsContact C-N 3.3Å
65K94.4Very high94.5Very high153 Ų15370.2 Ų70.267%0.66537%0.369SS*.  trans-134.2126.7-176.2-174.2-178.6178.3-179.30109.1S60 A63S60-K65 WeakPolarHBondContact CB-O 3.49Å; S60-K65 PolarHBondContact O-N 2.82Å; S60-K65 VanDerWaalsContact O-O 3.13Å; A63-K65 HydrophobicContact CB-CB 4.32Å; A63-K65 PolarHBondContact O-N 3.5Å; A63-K65 VanDerWaalsContact O-N 3.14Å
66E96.7Very high94.5Very high73 Ų7368 Ų6834%0.34136%0.355SS..  trans-58.7142.3173.460.1-177.1-16000111.2F44 L125 R126F44-E66 HydrophobicContact CD1-CG 4.31Å; F44-E66 WeakPolarHBondContact CD1-OE1 3.48Å; E66-L125 HydrophobicContact CB-CD1 3.95Å; E66-R126 IonicContact OE1-CZ 3.33Å; E66-R126 IonicContact OE1-NH2 3.4Å; E66-R126 PolarHBondContact OE1-NH2 3.31Å; E66-R126 IonicContact OE2-NE 3.68Å; E66-R126 IonicContact OE2-NH2 2.7Å
67F97.6Very high94.5Very high68 Ų6865.4 Ų65.430%0.29834%0.338SS..EExtended strand (participates in β ladder)trans-94.4135.6171178.2-114.7000108.8F44 V45 Y47 F69 V76F44-F67 WeakPolarHBondContact CA-O 3.37Å; V45-F67 HydrophobicContact CG2-CB 4.16Å; V45-F67 HydrophobicContact CG2-CD1 4.02Å; V45-F67 PolarHBondContact N-O 3.02Å; V45-F67 PolarHBondContact O-N 3.12Å; Y47-F67 HydrophobicContact CD1-CB 4.07Å; Y47-F67 HydrophobicContact CD1-CD1 4.27Å; Y47-F67 HydrophobicContact CD1-CG 4.43Å; Y47-F67 HydrophobicContact CE1-CB 3.67Å; Y47-F67 AromaticContact CE1-CD1 3.83Å; Y47-F67 HydrophobicContact CE1-CD1 3.83Å; Y47-F67 AromaticContact CE1-CG 3.77Å; Y47-F67 HydrophobicContact CE1-CG 3.77Å; F67-F69 AromaticContact CD1-CD1 3.89Å; F67-F69 HydrophobicContact CD1-CD1 3.89Å; F67-F69 HydrophobicContact CD1-CE1 4.45Å; F67-F69 HydrophobicContact CE1-CB 4.2Å; F67-F69 AromaticContact CE1-CD1 3.48Å; F67-F69 HydrophobicContact CE1-CD1 3.48Å; F67-F69 VanDerWaalsContact CE1-CD1 3.48Å; F67-F69 HydrophobicContact CE1-CE1 4.19Å; F67-F69 HydrophobicContact CE1-CG 4.12Å; F67-F69 HydrophobicContact CZ-CB 4.25Å; F67-F69 HydrophobicContact CZ-CD1 4.34Å; F67-V76 HydrophobicContact CE1-CG1 3.8Å; F67-V76 HydrophobicContact CZ-CG1 4.09Å
68S97Very high94.6Very high45 Ų4567.5 Ų67.532%0.31535%0.35SS..EExtended strand (participates in β ladder)trans-131.4137.7179.777.70000111.5K42 V43 F44K42-S68 VanDerWaalsContact CE-OG 3.32Å; K42-S68 WeakPolarHBondContact CE-OG 3.45Å; V43-S68 WeakPolarHBondContact O-CA 3.36Å; V43-S68 WeakPolarHBondContact O-CB 3.48Å; F44-S68 VanDerWaalsContact CD1-CB 3.43Å
69F97Very high94.7Very high4 Ų464.3 Ų64.32%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-152.3168.4176.770.8-81.7000109.9K42 V43 F67 V71 Q75 V76 F80 I84K42-F69 WeakPolarHBondContact CA-O 3.5Å; V43-F69 HydrophobicContact CG2-CD1 3.65Å; V43-F69 HydrophobicContact CG2-CD2 4.35Å; V43-F69 HydrophobicContact CG2-CE1 3.28Å; V43-F69 HydrophobicContact CG2-CE2 4.04Å; V43-F69 HydrophobicContact CG2-CG 4.17Å; V43-F69 HydrophobicContact CG2-CZ 3.5Å; V43-F69 PolarHBondContact N-O 2.92Å; V43-F69 PolarHBondContact O-N 3.08Å; F67-F69 AromaticContact CD1-CD1 3.89Å; F67-F69 HydrophobicContact CD1-CD1 3.89Å; F67-F69 HydrophobicContact CD1-CE1 4.45Å; F67-F69 HydrophobicContact CE1-CB 4.2Å; F67-F69 AromaticContact CE1-CD1 3.48Å; F67-F69 HydrophobicContact CE1-CD1 3.48Å; F67-F69 VanDerWaalsContact CE1-CD1 3.48Å; F67-F69 HydrophobicContact CE1-CE1 4.19Å; F67-F69 HydrophobicContact CE1-CG 4.12Å; F67-F69 HydrophobicContact CZ-CB 4.25Å; F67-F69 HydrophobicContact CZ-CD1 4.34Å; F69-V71 HydrophobicContact CE2-CG2 4.19Å; F69-Q75 HydrophobicContact CB-CB 4.22Å; F69-V76 HydrophobicContact CB-CG1 4.31Å; F69-V76 HydrophobicContact CD1-CG1 3.99Å; F69-V76 HydrophobicContact CD2-CB 4.49Å; F69-V76 HydrophobicContact CD2-CG1 3.79Å; F69-V76 HydrophobicContact CD2-CG2 3.85Å; F69-V76 HydrophobicContact CE1-CG1 4.23Å; F69-V76 HydrophobicContact CE2-CB 4.44Å; F69-V76 HydrophobicContact CE2-CG1 4.05Å; F69-V76 HydrophobicContact CE2-CG2 3.48Å; F69-V76 VanDerWaalsContact CE2-CG2 3.48Å; F69-V76 HydrophobicContact CG-CG1 3.76Å; F69-V76 HydrophobicContact CZ-CG1 4.25Å; F69-V76 HydrophobicContact CZ-CG2 3.97Å; F69-F80 AromaticContact CE1-CD1 3.97Å; F69-F80 HydrophobicContact CE1-CD1 3.97Å; F69-F80 AromaticContact CE1-CE1 3.68Å; F69-F80 HydrophobicContact CE1-CE1 3.68Å; F69-F80 AromaticContact CZ-CD1 3.76Å; F69-F80 HydrophobicContact CZ-CD1 3.76Å; F69-F80 AromaticContact CZ-CE1 3.93Å; F69-F80 HydrophobicContact CZ-CE1 3.93Å; F69-I84 HydrophobicContact CZ-CB 4.45Å; F69-I84 HydrophobicContact CZ-CG1 4Å; F69-I84 HydrophobicContact CZ-CG2 4.37Å
70V95.5Very high94.8Very high23 Ų2364 Ų6414%0.13933%0.329CS..EExtended strand (participates in β ladder)trans-98.8121177.2-1740000110G40 N41 K42 G72 R73G40-V70 WeakPolarHBondContact O-CG1 3.44Å; N41-V70 WeakPolarHBondContact O-CA 3.42Å; K42-V70 HydrophobicContact CB-CG2 4.45Å; V70-G72 PolarHBondContact O-N 3.17Å; V70-R73 HydrophobicContact CB-CB 4.37Å; V70-R73 HydrophobicContact CB-CG 4.12Å; V70-R73 HydrophobicContact CG1-CG 3.79Å; V70-R73 PolarHBondContact O-N 3.24Å
71V96.1Very high94.8Very high0 Ų063.9 Ų63.90%033%0.328CS..THydrogen-bonded Turntrans-62.2133.2-175.8178.10000111P37 T39 G40 N41 V43 F69 R73 D81 I84 K85P37-V71 HydrophobicContact CB-CG2 4.5Å; T39-V71 WeakPolarHBondContact CA-O 3.15Å; G40-V71 PolarHBondContact N-O 2.9Å; N41-V71 PolarHBondContact O-N 3.41Å; V43-V71 HydrophobicContact CB-CG2 4.32Å; V43-V71 HydrophobicContact CG1-CG2 3.46Å; V43-V71 VanDerWaalsContact CG1-CG2 3.46Å; V43-V71 HydrophobicContact CG2-CG2 3.88Å; F69-V71 HydrophobicContact CE2-CG2 4.19Å; V71-R73 VanDerWaalsContact C-N 3.28Å; V71-R73 PolarHBondContact O-N 3.05Å; V71-D81 WeakPolarHBondContact CA-OD1 3.42Å; V71-I84 HydrophobicContact CG2-CG2 3.68Å; V71-K85 HydrophobicContact CG1-CD 4.13Å; V71-K85 HydrophobicContact CG1-CG 3.59Å
72G92Very high95Very high29 Ų2961.3 Ų61.330%0.29932%0.321SS..THydrogen-bonded Turntrans74.511.917700000114.8V70 D81V70-G72 PolarHBondContact O-N 3.17Å; G72-D81 VanDerWaalsContact CA-OD2 3.31Å; G72-D81 WeakPolarHBondContact CA-OD2 3.37Å; G72-D81 VanDerWaalsContact N-CG 3.29Å; G72-D81 PolarHBondContact N-OD1 3.06Å; G72-D81 PolarHBondContact N-OD2 3.13Å
73R91.8Very high95.4Very high128 Ų12855.2 Ų55.248%0.48328%0.284SS..SBendtrans-99.316.4174-65.4-161.9-178.2-174.72113.7V70 V71 Q75 E130V70-R73 HydrophobicContact CB-CB 4.37Å; V70-R73 HydrophobicContact CB-CG 4.12Å; V70-R73 HydrophobicContact CG1-CG 3.79Å; V70-R73 PolarHBondContact O-N 3.24Å; V71-R73 VanDerWaalsContact C-N 3.28Å; V71-R73 PolarHBondContact O-N 3.05Å; R73-Q75 HydrophobicContact CB-CG 4.25Å; R73-Q75 PolarHBondContact O-N 3.37Å; R73-Q75 VanDerWaalsContact O-N 3.12Å; R73-E130 IonicContact CZ-OE1 2.6Å; R73-E130 VanDerWaalsContact NH2-CD 3.32Å; R73-E130 IonicContact NH2-OE1 2.63Å; R73-E130 PolarHBondContact NH2-OE1 3.33Å; R73-E130 IonicContact NH2-OE2 2.66Å
74K93.7Very high96Very high140 Ų14051.6 Ų51.661%0.60925%0.254SS*.SBendtrans5432.7178.5-57.2-68.4-175.71750112.9V76 D78K74-V76 VanDerWaalsContact C-N 3.3Å; K74-D78 WeakPolarHBondContact CD-OD1 3.31Å; K74-D78 IonicContact NZ-OD1 2.79Å; K74-D78 PolarHBondContact NZ-OD1 2.95Å; K74-D78 IonicContact NZ-OD2 2.86Å; K74-D78 PolarHBondContact NZ-OD2 2.96Å
75Q96.2Very high96.3Very high111 Ų11148.2 Ų48.252%0.51923%0.233SC..SBendtrans-82.3-15.6173.5-67.2-173.5-22.600112.1F69 R73F69-Q75 HydrophobicContact CB-CB 4.22Å; R73-Q75 HydrophobicContact CB-CG 4.25Å; R73-Q75 PolarHBondContact O-N 3.37Å; R73-Q75 VanDerWaalsContact O-N 3.12Å
76V97.3Very high96.4Very high26 Ų2643.1 Ų43.116%0.15822%0.215CC..SBendtrans-130.9168.4176.8-63.80000108.6F67 F69 K74 F80 D81F67-V76 HydrophobicContact CE1-CG1 3.8Å; F67-V76 HydrophobicContact CZ-CG1 4.09Å; F69-V76 HydrophobicContact CB-CG1 4.31Å; F69-V76 HydrophobicContact CD1-CG1 3.99Å; F69-V76 HydrophobicContact CD2-CB 4.49Å; F69-V76 HydrophobicContact CD2-CG1 3.79Å; F69-V76 HydrophobicContact CD2-CG2 3.85Å; F69-V76 HydrophobicContact CE1-CG1 4.23Å; F69-V76 HydrophobicContact CE2-CB 4.44Å; F69-V76 HydrophobicContact CE2-CG1 4.05Å; F69-V76 HydrophobicContact CE2-CG2 3.48Å; F69-V76 VanDerWaalsContact CE2-CG2 3.48Å; F69-V76 HydrophobicContact CG-CG1 3.76Å; F69-V76 HydrophobicContact CZ-CG1 4.25Å; F69-V76 HydrophobicContact CZ-CG2 3.97Å; K74-V76 VanDerWaalsContact C-N 3.3Å; V76-F80 HydrophobicContact CB-CB 4.14Å; V76-F80 HydrophobicContact CB-CG 4.44Å; V76-F80 HydrophobicContact CG2-CB 3.97Å; V76-F80 HydrophobicContact CG2-CD1 4.32Å; V76-F80 HydrophobicContact CG2-CG 4.44Å; V76-D81 HydrophobicContact CG2-CB 4.19Å
77I97.7Very high96.4Very high24 Ų2439.7 Ų39.712%0.12320%0.198CC..  trans-60.7151.7171.760.4177.3000111.3G79 F80 D81 I97 Y103 L118 F120I77-G79 VanDerWaalsContact C-N 3.32Å; I77-G79 PolarHBondContact O-N 3.49Å; I77-F80 HydrophobicContact CG1-CB 3.78Å; I77-F80 WeakPolarHBondContact O-CB 3.28Å; I77-F80 PolarHBondContact O-N 2.8Å; I77-D81 PolarHBondContact O-N 3.21Å; I77-I97 HydrophobicContact CD1-CD1 3.87Å; I77-I97 HydrophobicContact CD1-CG2 4.47Å; I77-Y103 HydrophobicContact CG2-CD1 4.31Å; I77-Y103 HydrophobicContact CG2-CD2 4.42Å; I77-Y103 HydrophobicContact CG2-CE1 4.01Å; I77-Y103 HydrophobicContact CG2-CE2 4.1Å; I77-L118 HydrophobicContact CD1-CD1 3.73Å; I77-F120 HydrophobicContact CD1-CE2 3.84Å; I77-F120 HydrophobicContact CD1-CZ 4.26Å
78D97.4Very high96.4Very high58 Ų5839.6 Ų39.631%0.3120%0.196SC..Hα-helixtrans-59.8-39.5-171.8-75.4-6000113.2K74 F80 D81 I82 Y101K74-D78 WeakPolarHBondContact CD-OD1 3.31Å; K74-D78 IonicContact NZ-OD1 2.79Å; K74-D78 PolarHBondContact NZ-OD1 2.95Å; K74-D78 IonicContact NZ-OD2 2.86Å; K74-D78 PolarHBondContact NZ-OD2 2.96Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 PolarHBondContact O-N 3.2Å; D78-D81 PolarHBondContact O-N 2.91Å; D78-I82 WeakPolarHBondContact O-CB 3.35Å; D78-I82 VanDerWaalsContact O-CG1 3.24Å; D78-I82 WeakPolarHBondContact O-CG1 3.45Å; D78-I82 PolarHBondContact O-N 3.31Å; D78-Y101 HydrophobicContact CB-CD1 4.42Å; D78-Y101 PolarHBondContact N-O 3.24Å
79G97.9Very high96.4Very high0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-64.5-30.5178.200000113.4I77 A83 Y101I77-G79 VanDerWaalsContact C-N 3.32Å; I77-G79 PolarHBondContact O-N 3.49Å; G79-A83 VanDerWaalsContact O-CB 3.31Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 2.96Å; G79-Y101 PolarHBondContact N-O 3.17Å
80F97.7Very high96.4Very high8 Ų841.1 Ų41.14%0.03521%0.206CC..Hα-helixtrans-72.4-42.5175.9-153.9-68.7000110.5V45 Y47 F69 V76 I77 D78 A83 I84 F120 I122V45-F80 HydrophobicContact CG2-CE1 4.39Å; V45-F80 HydrophobicContact CG2-CZ 4.29Å; Y47-F80 HydrophobicContact CD1-CZ 4.39Å; Y47-F80 HydrophobicContact CG-CE2 4.35Å; Y47-F80 HydrophobicContact CG-CZ 4.36Å; F69-F80 AromaticContact CE1-CD1 3.97Å; F69-F80 HydrophobicContact CE1-CD1 3.97Å; F69-F80 AromaticContact CE1-CE1 3.68Å; F69-F80 HydrophobicContact CE1-CE1 3.68Å; F69-F80 AromaticContact CZ-CD1 3.76Å; F69-F80 HydrophobicContact CZ-CD1 3.76Å; F69-F80 AromaticContact CZ-CE1 3.93Å; F69-F80 HydrophobicContact CZ-CE1 3.93Å; V76-F80 HydrophobicContact CB-CB 4.14Å; V76-F80 HydrophobicContact CB-CG 4.44Å; V76-F80 HydrophobicContact CG2-CB 3.97Å; V76-F80 HydrophobicContact CG2-CD1 4.32Å; V76-F80 HydrophobicContact CG2-CG 4.44Å; I77-F80 HydrophobicContact CG1-CB 3.78Å; I77-F80 WeakPolarHBondContact O-CB 3.28Å; I77-F80 PolarHBondContact O-N 2.8Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 PolarHBondContact O-N 3.2Å; F80-A83 PolarHBondContact O-N 3.14Å; F80-I84 HydrophobicContact CD1-CG1 3.73Å; F80-I84 HydrophobicContact CE1-CD1 4.01Å; F80-I84 HydrophobicContact CE1-CG1 3.74Å; F80-I84 WeakPolarHBondContact O-CB 3.2Å; F80-I84 VanDerWaalsContact O-CG1 3.24Å; F80-I84 WeakPolarHBondContact O-CG1 3.24Å; F80-I84 PolarHBondContact O-N 3.35Å; F80-F120 HydrophobicContact CD2-CD1 4.27Å; F80-F120 HydrophobicContact CD2-CE1 4.28Å; F80-F120 HydrophobicContact CD2-CG 4.37Å; F80-F120 HydrophobicContact CD2-CZ 4.4Å; F80-F120 AromaticContact CE2-CD1 3.88Å; F80-F120 HydrophobicContact CE2-CD1 3.88Å; F80-F120 HydrophobicContact CE2-CE1 4.08Å; F80-F120 HydrophobicContact CE2-CG 4.28Å; F80-I122 HydrophobicContact CD1-CD1 4.26Å; F80-I122 HydrophobicContact CD2-CD1 3.93Å; F80-I122 HydrophobicContact CE1-CD1 3.91Å; F80-I122 HydrophobicContact CE1-CG2 4.48Å; F80-I122 HydrophobicContact CE2-CD1 3.58Å; F80-I122 HydrophobicContact CE2-CG1 4.09Å; F80-I122 HydrophobicContact CG-CD1 4.27Å; F80-I122 HydrophobicContact CZ-CD1 3.56Å; F80-I122 HydrophobicContact CZ-CG1 4.02Å; F80-I122 HydrophobicContact CZ-CG2 4.22Å
81D97.3Very high96.6Very high7 Ų740 Ų404%0.03720%0.199CC..Hα-helixtrans-62.8-41174.7-112.2-19.5000111.8V71 G72 V76 I77 D78 K85V71-D81 WeakPolarHBondContact CA-OD1 3.42Å; G72-D81 VanDerWaalsContact CA-OD2 3.31Å; G72-D81 WeakPolarHBondContact CA-OD2 3.37Å; G72-D81 VanDerWaalsContact N-CG 3.29Å; G72-D81 PolarHBondContact N-OD1 3.06Å; G72-D81 PolarHBondContact N-OD2 3.13Å; V76-D81 HydrophobicContact CG2-CB 4.19Å; I77-D81 PolarHBondContact O-N 3.21Å; D78-D81 PolarHBondContact O-N 2.91Å; D81-K85 WeakPolarHBondContact O-CG 3.39Å; D81-K85 PolarHBondContact O-N 3.1Å
82I97.5Very high96.7Very high44 Ų4442 Ų4223%0.22621%0.209CC..Hα-helixtrans-63.2-50.8175.4-71164.1000110.3L15 V23 D78 I84 K85 Y101L15-I82 HydrophobicContact CB-CG2 3.61Å; L15-I82 HydrophobicContact CD1-CG2 4.48Å; V23-I82 HydrophobicContact CB-CG2 4.29Å; V23-I82 HydrophobicContact CG1-CB 4.48Å; V23-I82 HydrophobicContact CG1-CG2 4.08Å; V23-I82 HydrophobicContact CG2-CD1 4.11Å; V23-I82 HydrophobicContact CG2-CG2 4.44Å; D78-I82 WeakPolarHBondContact O-CB 3.35Å; D78-I82 VanDerWaalsContact O-CG1 3.24Å; D78-I82 WeakPolarHBondContact O-CG1 3.45Å; D78-I82 PolarHBondContact O-N 3.31Å; I82-I84 PolarHBondContact O-N 3.1Å; I82-K85 PolarHBondContact O-N 3Å; I82-Y101 HydrophobicContact CD1-CD1 3.74Å; I82-Y101 HydrophobicContact CD1-CE1 4.02Å
83A98Very high97Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-60.1-48.8-177.500000112.5L15 G79 F80 K85 T86 M87 I95L15-A83 HydrophobicContact CD1-CB 4.22Å; G79-A83 VanDerWaalsContact O-CB 3.31Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 2.96Å; F80-A83 PolarHBondContact O-N 3.14Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.48Å; A83-T86 PolarHBondContact O-N 3.38Å; A83-T86 PolarHBondContact O-OG1 3.07Å; A83-M87 PolarHBondContact O-N 2.66Å; A83-I95 HydrophobicContact CB-CB 4.42Å; A83-I95 HydrophobicContact CB-CD1 3.79Å; A83-I95 HydrophobicContact CB-CG1 3.81Å; A83-I95 HydrophobicContact CB-CG2 3.77Å
84I97.9Very high97.3Very high0 Ų037.2 Ų37.20%018%0.184CC..Hα-helixtrans-59.6-35.8-176.1-74.5-75.4000112.6P37 V43 V45 F69 V71 F80 I82 T86 M87 I122P37-I84 HydrophobicContact CG-CG2 3.72Å; P37-I84 VanDerWaalsContact CG-O 3.29Å; P37-I84 WeakPolarHBondContact CG-O 3.5Å; V43-I84 HydrophobicContact CB-CG2 4.42Å; V43-I84 HydrophobicContact CG1-CG2 3.85Å; V43-I84 HydrophobicContact CG2-CG2 4.17Å; V45-I84 HydrophobicContact CG1-CD1 3.69Å; F69-I84 HydrophobicContact CZ-CB 4.45Å; F69-I84 HydrophobicContact CZ-CG1 4Å; F69-I84 HydrophobicContact CZ-CG2 4.37Å; V71-I84 HydrophobicContact CG2-CG2 3.68Å; F80-I84 HydrophobicContact CD1-CG1 3.73Å; F80-I84 HydrophobicContact CE1-CD1 4.01Å; F80-I84 HydrophobicContact CE1-CG1 3.74Å; F80-I84 WeakPolarHBondContact O-CB 3.2Å; F80-I84 VanDerWaalsContact O-CG1 3.24Å; F80-I84 WeakPolarHBondContact O-CG1 3.24Å; F80-I84 PolarHBondContact O-N 3.35Å; I82-I84 PolarHBondContact O-N 3.1Å; I84-T86 PolarHBondContact O-N 2.69Å; I84-T86 VanDerWaalsContact O-N 3.09Å; I84-M87 HydrophobicContact CD1-SD 3.89Å; I84-M87 PolarHBondContact O-N 2.9Å; I84-M87 VanDerWaalsContact O-N 3.14Å; I84-I122 HydrophobicContact CD1-CG2 3.84Å
85K95.6Very high97.5Very high71 Ų7130.5 Ų30.531%0.30916%0.155SC..THydrogen-bonded Turntrans-64.2-11.7176.7-72.4172.2-178.4178.20114.1H36 T39 V71 D81 I82 A83H36-K85 VanDerWaalsContact CG-O 3.29Å; H36-K85 PolarHBondContact ND1-O 2.95Å; T39-K85 WeakPolarHBondContact OG1-CE 3.33Å; T39-K85 PolarHBondContact OG1-NZ 3.27Å; V71-K85 HydrophobicContact CG1-CD 4.13Å; V71-K85 HydrophobicContact CG1-CG 3.59Å; D81-K85 WeakPolarHBondContact O-CG 3.39Å; D81-K85 PolarHBondContact O-N 3.1Å; I82-K85 PolarHBondContact O-N 3Å; A83-K85 VanDerWaalsContact C-N 3.26Å; A83-K85 PolarHBondContact O-N 3.48Å
86T96.2Very high97.6Very high47 Ų4728.5 Ų28.529%0.28814%0.143SC..THydrogen-bonded Turntrans-109-5.1178.8750000113.1L15 K25 A83 I84L15-T86 HydrophobicContact CD1-CG2 3.95Å; L15-T86 WeakPolarHBondContact CD1-OG1 3.43Å; L15-T86 HydrophobicContact CD2-CG2 4.06Å; L15-T86 HydrophobicContact CG-CG2 4.48Å; K25-T86 WeakPolarHBondContact CE-OG1 3.3Å; K25-T86 PolarHBondContact NZ-O 3.2Å; K25-T86 PolarHBondContact NZ-OG1 2.91Å; K25-T86 VanDerWaalsContact NZ-OG1 3.16Å; A83-T86 PolarHBondContact O-N 3.38Å; A83-T86 PolarHBondContact O-OG1 3.07Å; I84-T86 PolarHBondContact O-N 2.69Å; I84-T86 VanDerWaalsContact O-N 3.09Å
87M97.9Very high97.7Very high0 Ų027.3 Ų27.30%014%0.135CC..PPolyproline II helixtrans-89.3143.1-175.4-70.7-176.173.700111.5H36 P37 A83 I84 E91 A93 I122 L124H36-M87 WeakPolarHBondContact CA-O 3.23Å; H36-M87 VanDerWaalsContact CB-O 3.24Å; H36-M87 WeakPolarHBondContact CB-O 3.29Å; P37-M87 VanDerWaalsContact CD-O 3.29Å; P37-M87 WeakPolarHBondContact CD-O 3.42Å; A83-M87 PolarHBondContact O-N 2.66Å; I84-M87 HydrophobicContact CD1-SD 3.89Å; I84-M87 PolarHBondContact O-N 2.9Å; I84-M87 VanDerWaalsContact O-N 3.14Å; M87-E91 WeakPolarHBondContact CA-OE2 3.43Å; M87-E91 HydrophobicContact CE-CB 4.18Å; M87-E91 HydrophobicContact CE-CG 4.2Å; M87-E91 VanDerWaalsContact CE-O 3.26Å; M87-E91 WeakPolarHBondContact CE-O 3.49Å; M87-A93 HydrophobicContact CE-CB 4.03Å; M87-I122 HydrophobicContact CE-CB 4.13Å; M87-I122 HydrophobicContact CE-CG2 4.02Å; M87-I122 WeakPolarHBondContact CE-O 3.34Å; M87-I122 HydrophobicContact SD-CB 4.05Å; M87-I122 HydrophobicContact SD-CG2 3.81Å; M87-L124 HydrophobicContact CB-CB 4.24Å; M87-L124 HydrophobicContact CB-CD2 3.85Å; M87-L124 HydrophobicContact CE-CB 4Å; M87-L124 WeakPolarHBondContact O-CD2 3.29Å
88R96.9Very high97.7Very high67 Ų6727.1 Ų27.125%0.25314%0.137SC..PPolyproline II helixtrans-95.2162.9176.9-62.5164.5-175.3-133.21.4111.8D33 E34 G90 E91D33-R88 VanDerWaalsContact O-CD 3.3Å; D33-R88 WeakPolarHBondContact O-CD 3.38Å; D33-R88 PolarHBondContact O-NH1 3.35Å; E34-R88 VanDerWaalsContact CD-NH2 3.29Å; E34-R88 IonicContact OE1-CZ 3.09Å; E34-R88 IonicContact OE1-NH1 3.95Å; E34-R88 PolarHBondContact OE1-NH1 3.41Å; E34-R88 IonicContact OE1-NH2 4Å; E34-R88 PolarHBondContact OE1-NH2 3.03Å; E34-R88 IonicContact OE2-CZ 2.74Å; E34-R88 IonicContact OE2-NH1 2.8Å; E34-R88 PolarHBondContact OE2-NH1 3.26Å; E34-R88 IonicContact OE2-NH2 3.65Å; E34-R88 PolarHBondContact OE2-NH2 2.65Å; R88-G90 PolarHBondContact O-N 3.46Å; R88-E91 HydrophobicContact CB-CB 4.28Å; R88-E91 PolarHBondContact N-OE2 3.29Å; R88-E91 WeakPolarHBondContact O-CB 3.49Å; R88-E91 PolarHBondContact O-N 3.39Å
89L97.3Very high97.7Very high58 Ų5825.5 Ų25.530%0.30413%0.13SC..BIsolated β-bridgetrans-58.8123178.2-176.367.3000110.6G31 V32 E91 L125 R126 W127G31-L89 CarbonylContact C-O 3.58Å; G31-L89 WeakPolarHBondContact CA-O 3.39Å; V32-L89 HydrophobicContact CG2-CB 3.76Å; V32-L89 HydrophobicContact CG2-CD2 3.83Å; V32-L89 HydrophobicContact CG2-CG 4.02Å; V32-L89 PolarHBondContact N-O 3.25Å; L89-E91 VanDerWaalsContact C-N 3.27Å; L89-E91 PolarHBondContact O-N 3.05Å; L89-L125 WeakPolarHBondContact CD1-O 3.28Å; L89-R126 HydrophobicContact CD1-CB 4.27Å; L89-W127 HydrophobicContact CB-CH2 3.97Å; L89-W127 HydrophobicContact CB-CZ3 3.67Å; L89-W127 HydrophobicContact CD1-CE3 4.31Å; L89-W127 HydrophobicContact CD1-CZ3 3.93Å; L89-W127 HydrophobicContact CG-CZ3 4.4Å
90G97.8Very high97.7Very high23 Ų2332.1 Ų32.124%0.23716%0.159CC..THydrogen-bonded Turntrans79.10.2-178.400000115.5R88 L124R88-G90 PolarHBondContact O-N 3.46Å; G90-L124 VanDerWaalsContact CA-O 3.23Å; G90-L124 WeakPolarHBondContact CA-O 3.33Å; G90-L124 PolarHBondContact N-O 3.09Å
91E98.5Very high97.7Very high0 Ų032.6 Ų32.60%016%0.16CC..  trans-63.4133.9175.2-175179.6138.800110.1K25 I27 K29 M87 R88 L89 A93 E123 L124K25-E91 IonicContact NZ-OE1 3.45Å; K25-E91 PolarHBondContact NZ-OE1 3.28Å; K25-E91 IonicContact NZ-OE2 2.6Å; I27-E91 HydrophobicContact CG2-CG 4.33Å; K29-E91 WeakPolarHBondContact O-CA 3.27Å; M87-E91 WeakPolarHBondContact CA-OE2 3.43Å; M87-E91 HydrophobicContact CE-CB 4.18Å; M87-E91 HydrophobicContact CE-CG 4.2Å; M87-E91 VanDerWaalsContact CE-O 3.26Å; M87-E91 WeakPolarHBondContact CE-O 3.49Å; R88-E91 HydrophobicContact CB-CB 4.28Å; R88-E91 PolarHBondContact N-OE2 3.29Å; R88-E91 WeakPolarHBondContact O-CB 3.49Å; R88-E91 PolarHBondContact O-N 3.39Å; L89-E91 VanDerWaalsContact C-N 3.27Å; L89-E91 PolarHBondContact O-N 3.05Å; E91-A93 HydrophobicContact CG-CB 4.44Å; E91-E123 WeakPolarHBondContact O-CA 3.16Å; E91-L124 PolarHBondContact O-N 2.99Å
92L98.4Very high97.7Very high40 Ų4033.1 Ų33.121%0.20917%0.168CC..EExtended strand (participates in β ladder)trans-109.1120.9165.7179.870.2000107.6L28 K29 I122 E123L28-L92 WeakPolarHBondContact CA-O 3.39Å; L28-L92 HydrophobicContact CB-CB 4.47Å; L28-L92 HydrophobicContact CB-CD2 4.11Å; L28-L92 HydrophobicContact CB-CG 4.07Å; L28-L92 WeakPolarHBondContact CB-O 3.34Å; L28-L92 HydrophobicContact CD1-CD2 4.29Å; L28-L92 HydrophobicContact CD1-CG 4.2Å; L28-L92 PolarHBondContact N-O 3.39Å; K29-L92 HydrophobicContact CB-CB 3.82Å; K29-L92 PolarHBondContact N-O 2.88Å; K29-L92 PolarHBondContact O-N 2.91Å; L92-I122 CarbonylContact C-O 3.57Å; L92-I122 VanDerWaalsContact CA-O 3.31Å; L92-I122 WeakPolarHBondContact CA-O 3.28Å; L92-E123 HydrophobicContact CD1-CB 3.85Å
93A98.3Very high97.7Very high0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-131.6145.6-178.800000111.7K25 E26 M87 E91 I95 E121 I122K25-A93 HydrophobicContact CD-CB 4.02Å; K25-A93 HydrophobicContact CG-CB 3.98Å; E26-A93 CarbonylContact O-C 3.47Å; E26-A93 VanDerWaalsContact O-CA 3.31Å; E26-A93 WeakPolarHBondContact O-CA 3.47Å; M87-A93 HydrophobicContact CE-CB 4.03Å; E91-A93 HydrophobicContact CG-CB 4.44Å; A93-I95 HydrophobicContact CB-CD1 3.92Å; A93-E121 CarbonylContact O-C 3.58Å; A93-E121 WeakPolarHBondContact O-CA 3.32Å; A93-I122 PolarHBondContact N-O 3.26Å; A93-I122 PolarHBondContact O-N 3.1Å
94K98.3Very high97.7Very high57 Ų5736.5 Ų36.525%0.24819%0.185CC..EExtended strand (participates in β ladder)trans-93.7124.1167.7-179.8-177.3163.2-1510108.6E26 L28 I119 F120E26-K94 HydrophobicContact CB-CB 4.35Å; E26-K94 PolarHBondContact N-O 3Å; E26-K94 PolarHBondContact O-N 3.4Å; E26-K94 IonicContact OE2-NZ 2.84Å; E26-K94 PolarHBondContact OE2-NZ 2.87Å; L28-K94 HydrophobicContact CD1-CB 4.05Å; L28-K94 HydrophobicContact CD2-CB 4.17Å; L28-K94 HydrophobicContact CG-CB 4.11Å; K94-I119 HydrophobicContact CD-CG2 4.34Å; K94-I119 HydrophobicContact CG-CG2 3.91Å; K94-F120 CarbonylContact C-O 3.58Å; K94-F120 VanDerWaalsContact CA-O 3.28Å; K94-F120 WeakPolarHBondContact CA-O 3.33Å
95I98.3Very high97.6Very high0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-117.9118.9-176.7-47.2-58000108.9V23 I24 K25 A83 A93 I97 I119 F120 I122V23-I95 HydrophobicContact CG1-CG2 3.89Å; I24-I95 CarbonylContact O-C 3.51Å; I24-I95 VanDerWaalsContact O-CA 3.28Å; I24-I95 WeakPolarHBondContact O-CA 3.2Å; K25-I95 HydrophobicContact CB-CD1 3.67Å; K25-I95 HydrophobicContact CD-CD1 3.88Å; K25-I95 HydrophobicContact CG-CD1 3.49Å; K25-I95 VanDerWaalsContact CG-CD1 3.49Å; A83-I95 HydrophobicContact CB-CB 4.42Å; A83-I95 HydrophobicContact CB-CD1 3.79Å; A83-I95 HydrophobicContact CB-CG1 3.81Å; A83-I95 HydrophobicContact CB-CG2 3.77Å; A93-I95 HydrophobicContact CB-CD1 3.92Å; I95-I97 HydrophobicContact CG2-CD1 4.12Å; I95-I97 HydrophobicContact CG2-CG1 3.7Å; I95-I119 CarbonylContact O-C 3.54Å; I95-I119 WeakPolarHBondContact O-CA 3.11Å; I95-F120 HydrophobicContact CB-CB 4.39Å; I95-F120 PolarHBondContact N-O 3.14Å; I95-F120 PolarHBondContact O-N 3.1Å; I95-I122 HydrophobicContact CG1-CD1 3.79Å; I95-I122 HydrophobicContact CG1-CG1 4.26Å
96R98.2Very high97.7Very high69 Ų6949.3 Ų49.326%0.2624%0.243SC..EExtended strand (participates in β ladder)trans-94.7122.9169.2-176.1177.17578.79.6109.3D10 G21 V23 I24 T117 L118 I119D10-R96 WeakPolarHBondContact OD2-CD 3.47Å; D10-R96 IonicContact OD2-CZ 3.75Å; D10-R96 IonicContact OD2-NE 2.71Å; D10-R96 PolarHBondContact OD2-NE 2.91Å; G21-R96 PolarHBondContact O-NH2 3.47Å; V23-R96 CarbonylContact C-O 3.42Å; V23-R96 VanDerWaalsContact CA-O 3.32Å; V23-R96 WeakPolarHBondContact CA-O 3.45Å; I24-R96 HydrophobicContact CB-CB 4.33Å; I24-R96 VanDerWaalsContact CG1-NH2 3.32Å; I24-R96 PolarHBondContact N-O 3.4Å; I24-R96 PolarHBondContact O-N 3.16Å; R96-T117 HydrophobicContact CG-CG2 3.68Å; R96-L118 CarbonylContact C-O 3.57Å; R96-L118 WeakPolarHBondContact CA-O 3.45Å; R96-I119 HydrophobicContact CB-CD1 3.75Å; R96-I119 HydrophobicContact CG-CD1 3.6Å
97I98.4Very high97.7Very high0 Ų047.7 Ų47.70%024%0.235CC..EExtended strand (participates in β ladder)trans-118.6116.6-176.7-56.2177.8000109I77 I95 Y101 T117 L118 F120I77-I97 HydrophobicContact CD1-CD1 3.87Å; I77-I97 HydrophobicContact CD1-CG2 4.47Å; I95-I97 HydrophobicContact CG2-CD1 4.12Å; I95-I97 HydrophobicContact CG2-CG1 3.7Å; I97-Y101 WeakPolarHBondContact CG2-O 3.42Å; I97-T117 WeakPolarHBondContact O-CA 3.41Å; I97-L118 HydrophobicContact CB-CB 4.41Å; I97-L118 PolarHBondContact N-O 3.2Å; I97-L118 PolarHBondContact O-N 3.36Å; I97-F120 HydrophobicContact CD1-CD2 3.71Å; I97-F120 HydrophobicContact CD1-CE2 3.98Å; I97-F120 HydrophobicContact CG1-CD2 4.46Å
98A98.1Very high97.6Very high20 Ų2050.1 Ų50.117%0.16525%0.252CS..  trans-70156.9173.600000111.3G22 K100 Y101 G102G22-A98 PolarHBondContact O-N 3.2Å; A98-K100 VanDerWaalsContact C-N 3.25Å; A98-K100 PolarHBondContact O-N 3.49Å; A98-K100 VanDerWaalsContact O-N 3.1Å; A98-Y101 PolarHBondContact O-N 2.82Å; A98-G102 PolarHBondContact O-N 3.15Å
99P97.9Very high97.4Very high25 Ų2551.6 Ų51.616%0.16227%0.271CS..G310 helixtrans-54-38-173.4-28.936.2000114.7Y101 G102 G104 D115P99-Y101 PolarHBondContact O-N 3.04Å; P99-G102 CarbonylContact O-C 3.58Å; P99-G102 PolarHBondContact O-N 3.01Å; P99-G104 VanDerWaalsContact O-CA 3.29Å; P99-G104 WeakPolarHBondContact O-CA 3.37Å; P99-G104 PolarHBondContact O-N 3.17Å; P99-D115 HydrophobicContact CB-CB 4.48Å; P99-D115 HydrophobicContact CG-CB 4.23Å; P99-D115 WeakPolarHBondContact CG-O 3.34Å
100K97.8Very high97.3Very high138 Ų13855.1 Ų55.160%0.630%0.297SS*.G310 helixtrans-53.4-33.4176.6178.8-176.8166-163.50113.4D20 A98D20-K100 IonicContact OD2-NZ 3.57Å; D20-K100 PolarHBondContact OD2-NZ 3.46Å; A98-K100 VanDerWaalsContact C-N 3.25Å; A98-K100 PolarHBondContact O-N 3.49Å; A98-K100 VanDerWaalsContact O-N 3.1Å
101Y97.9Very high97.2Very high18 Ų1860.2 Ų60.27%0.07131%0.312CS..G310 helixtrans-104.23.7180-60.4-85.4000112.5T16 E18 D20 V23 D78 G79 I82 I97 A98 P99T16-Y101 HydrophobicContact CG2-CD2 4.45Å; T16-Y101 HydrophobicContact CG2-CE1 4.01Å; T16-Y101 HydrophobicContact CG2-CE2 3.88Å; E18-Y101 PolarHBondContact OE2-OH 3.02Å; D20-Y101 VanDerWaalsContact CG-OH 3.24Å; D20-Y101 WeakPolarHBondContact OD1-CE2 3.49Å; D20-Y101 PolarHBondContact OD1-OH 3.28Å; D20-Y101 VanDerWaalsContact OD1-OH 3.11Å; D20-Y101 WeakPolarHBondContact OD2-CE2 3.33Å; D20-Y101 PolarHBondContact OD2-OH 3.01Å; V23-Y101 HydrophobicContact CG2-CD1 4.12Å; V23-Y101 HydrophobicContact CG2-CD2 4.14Å; V23-Y101 HydrophobicContact CG2-CG 3.77Å; D78-Y101 HydrophobicContact CB-CD1 4.42Å; D78-Y101 PolarHBondContact N-O 3.24Å; G79-Y101 PolarHBondContact N-O 3.17Å; I82-Y101 HydrophobicContact CD1-CD1 3.74Å; I82-Y101 HydrophobicContact CD1-CE1 4.02Å; I97-Y101 WeakPolarHBondContact CG2-O 3.42Å; A98-Y101 PolarHBondContact O-N 2.82Å; P99-Y101 PolarHBondContact O-N 3.04Å
102G97.3Very high97.2Very high18 Ų1860.5 Ų60.519%0.18631%0.314CS..THydrogen-bonded Turntrans-115.8-120.6-178.800000112A98 P99A98-G102 PolarHBondContact O-N 3.15Å; P99-G102 CarbonylContact O-C 3.58Å; P99-G102 PolarHBondContact O-N 3.01Å
103Y97.1Very high97.1Very high94 Ų9461.6 Ų61.637%0.36932%0.324SS..THydrogen-bonded Turntrans-100.4-2.1-178.6-65.3-80.3000114.2I77 G107 I112 L118I77-Y103 HydrophobicContact CG2-CD1 4.31Å; I77-Y103 HydrophobicContact CG2-CD2 4.42Å; I77-Y103 HydrophobicContact CG2-CE1 4.01Å; I77-Y103 HydrophobicContact CG2-CE2 4.1Å; Y103-G107 PolarHBondContact O-N 2.82Å; Y103-I112 HydrophobicContact CD2-CD1 3.54Å; Y103-I112 HydrophobicContact CD2-CG2 3.97Å; Y103-I112 HydrophobicContact CE2-CD1 3.2Å; Y103-I112 HydrophobicContact CG-CD1 4.48Å; Y103-L118 HydrophobicContact CD2-CD1 3.75Å; Y103-L118 HydrophobicContact CE2-CD1 3.85Å
104G96.9Very high97.1Very high21 Ų2165.3 Ų65.322%0.21635%0.348CS..G310 helixtrans59-159.6177.300000115.3P99 K106 G107 D115P99-G104 VanDerWaalsContact O-CA 3.29Å; P99-G104 WeakPolarHBondContact O-CA 3.37Å; P99-G104 PolarHBondContact O-N 3.17Å; G104-K106 PolarHBondContact O-N 3.12Å; G104-G107 PolarHBondContact O-N 2.98Å; G104-D115 PolarHBondContact O-N 3.07Å
105E97.3Very high97Very high160 Ų16066.9 Ų66.975%0.74836%0.359SS*.G310 helixtrans-58-21.2-177.9-62.5176.8-176.700113.9P114 D115E105-P114 WeakPolarHBondContact O-CB 3.34Å; E105-D115 VanDerWaalsContact CA-OD1 3.26Å; E105-D115 WeakPolarHBondContact CA-OD1 3.18Å; E105-D115 WeakPolarHBondContact CG-OD1 3.43Å; E105-D115 PolarHBondContact N-OD1 3.32Å
106K96.4Very high97Very high181 Ų18167.6 Ų67.679%0.78736%0.364SS*.G310 helixtrans-85.8-24.5179.3-67.2-177.6-179.6176.30112.8G104G104-K106 PolarHBondContact O-N 3.12Å
107G96.4Very high97Very high12 Ų1265.6 Ų65.612%0.12436%0.36CS..  trans60.1-159.6-169.900000113Y103 G104 P113Y103-G107 PolarHBondContact O-N 2.82Å; G104-G107 PolarHBondContact O-N 2.98Å; G107-P113 WeakPolarHBondContact CA-O 3.45Å
108S96.2Very high97Very high51 Ų5165.7 Ų65.736%0.35736%0.36SS..BIsolated β-bridgetrans-137.678.6170.4-164.50000109.8K111 I112S108-K111 PolarHBondContact O-N 3.2Å; S108-I112 CarbonylContact C-O 3.58Å; S108-I112 VanDerWaalsContact C-O 3.25Å; S108-I112 PolarHBondContact N-O 3.09Å; S108-I112 PolarHBondContact O-N 2.93Å
109P93.1Very high97Very high99 Ų9965.8 Ų65.864%0.64336%0.358SS*.THydrogen-bonded Turntrans-61.2150.2-177.3-24.735.4000113.1
110P95.5Very high97Very high132 Ų13265 Ų6586%0.85735%0.352SS*.THydrogen-bonded Turncis-86.7-6.62.835-36.2000114
111K96.1Very high97Very high129 Ų12961.2 Ų61.256%0.56134%0.337SS*.THydrogen-bonded Turntrans-87.2-30.3-166.7-61.3-173.4175.2-1750114.1F57 S108F57-K111 HydrophobicContact CB-CB 4.05Å; F57-K111 VanDerWaalsContact O-CD 3.28Å; F57-K111 WeakPolarHBondContact O-CD 3.41Å; F57-K111 PolarHBondContact O-NZ 3.45Å; S108-K111 PolarHBondContact O-N 3.2Å
112I96.8Very high97.1Very high6 Ų660.3 Ų60.33%0.03133%0.333CS..BIsolated β-bridgetrans-120.5112-176.2-56.3178.2000107.7F57 Y103 S108 A116 L118F57-I112 HydrophobicContact CB-CG1 4.28Å; F57-I112 HydrophobicContact CD1-CG1 4.37Å; F57-I112 HydrophobicContact CD2-CD1 3.77Å; F57-I112 HydrophobicContact CD2-CG1 4.11Å; F57-I112 HydrophobicContact CE2-CD1 3.86Å; F57-I112 HydrophobicContact CG-CD1 4.17Å; F57-I112 HydrophobicContact CG-CG1 4.02Å; F57-I112 HydrophobicContact CZ-CD1 4.28Å; Y103-I112 HydrophobicContact CD2-CD1 3.54Å; Y103-I112 HydrophobicContact CD2-CG2 3.97Å; Y103-I112 HydrophobicContact CE2-CD1 3.2Å; Y103-I112 HydrophobicContact CG-CD1 4.48Å; S108-I112 CarbonylContact C-O 3.58Å; S108-I112 VanDerWaalsContact C-O 3.25Å; S108-I112 PolarHBondContact N-O 3.09Å; S108-I112 PolarHBondContact O-N 2.93Å; I112-A116 HydrophobicContact CG2-CB 3.69Å; I112-L118 HydrophobicContact CD1-CD2 4.4Å; I112-L118 HydrophobicContact CG2-CD2 3.87Å
113P97.3Very high97.1Very high64 Ų6461.5 Ų61.542%0.41633%0.334SS..  trans-70.6164.6178.726.9-30.4000112.1G107 A116G107-P113 WeakPolarHBondContact CA-O 3.45Å; P113-A116 HydrophobicContact CG-CB 4.03Å; P113-A116 VanDerWaalsContact O-CB 3.31Å; P113-A116 WeakPolarHBondContact O-CB 3.49Å; P113-A116 PolarHBondContact O-N 3.04Å
114P97.8Very high97.2Very high77 Ų7757 Ų5750%0.532%0.316SS..THydrogen-bonded Turntrans-42.8138.8162.9-35.441.8000113E105 A116E105-P114 WeakPolarHBondContact O-CB 3.34Å; P114-A116 PolarHBondContact O-N 2.97Å
115D97.4Very high97.2Very high91 Ų9158.4 Ų58.449%0.48732%0.318SS..THydrogen-bonded Turntrans54.826.1173.8-60.4-51.5000115P99 G104 E105 T117P99-D115 HydrophobicContact CB-CB 4.48Å; P99-D115 HydrophobicContact CG-CB 4.23Å; P99-D115 WeakPolarHBondContact CG-O 3.34Å; G104-D115 PolarHBondContact O-N 3.07Å; E105-D115 VanDerWaalsContact CA-OD1 3.26Å; E105-D115 WeakPolarHBondContact CA-OD1 3.18Å; E105-D115 WeakPolarHBondContact CG-OD1 3.43Å; E105-D115 PolarHBondContact N-OD1 3.32Å; D115-T117 PolarHBondContact O-N 2.97Å
116A97.3Very high97.2Very high14 Ų1454.7 Ų54.712%0.11630%0.298CS..  trans-68.6127176.700000111.8L51 I112 P113 P114 L118L51-A116 HydrophobicContact CD2-CB 4.09Å; I112-A116 HydrophobicContact CG2-CB 3.69Å; P113-A116 HydrophobicContact CG-CB 4.03Å; P113-A116 VanDerWaalsContact O-CB 3.31Å; P113-A116 WeakPolarHBondContact O-CB 3.49Å; P113-A116 PolarHBondContact O-N 3.04Å; P114-A116 PolarHBondContact O-N 2.97Å; A116-L118 HydrophobicContact CB-CD2 4.13Å
117T97.8Very high97.1Very high28 Ų2849 Ų4917%0.17227%0.271CS..  trans-78133.4160.5-650000109.1L52 R96 I97 D115L52-T117 HydrophobicContact CD1-CG2 4.27Å; L52-T117 HydrophobicContact CD2-CG2 4.03Å; L52-T117 HydrophobicContact CG-CG2 4.22Å; R96-T117 HydrophobicContact CG-CG2 3.68Å; I97-T117 WeakPolarHBondContact O-CA 3.41Å; D115-T117 PolarHBondContact O-N 2.97Å
118L98.2Very high97Very high1 Ų150.6 Ų50.61%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-108.6141.3-175.7-47.3174.7000110.1L51 F57 I77 R96 I97 Y103 I112 A116 F120L51-L118 HydrophobicContact CD2-CD2 4.18Å; F57-L118 HydrophobicContact CE1-CB 4.43Å; F57-L118 HydrophobicContact CE1-CD2 3.82Å; F57-L118 HydrophobicContact CZ-CB 4.36Å; F57-L118 HydrophobicContact CZ-CD1 4.5Å; F57-L118 HydrophobicContact CZ-CD2 4.03Å; I77-L118 HydrophobicContact CD1-CD1 3.73Å; R96-L118 CarbonylContact C-O 3.57Å; R96-L118 WeakPolarHBondContact CA-O 3.45Å; I97-L118 HydrophobicContact CB-CB 4.41Å; I97-L118 PolarHBondContact N-O 3.2Å; I97-L118 PolarHBondContact O-N 3.36Å; Y103-L118 HydrophobicContact CD2-CD1 3.75Å; Y103-L118 HydrophobicContact CE2-CD1 3.85Å; I112-L118 HydrophobicContact CD1-CD2 4.4Å; I112-L118 HydrophobicContact CG2-CD2 3.87Å; A116-L118 HydrophobicContact CB-CD2 4.13Å; L118-F120 HydrophobicContact CB-CD2 4.13Å; L118-F120 HydrophobicContact CB-CE2 3.74Å; L118-F120 HydrophobicContact CD1-CE2 3.77Å; L118-F120 HydrophobicContact CD1-CZ 4.34Å; L118-F120 HydrophobicContact CG-CE2 4.41Å
119I98.4Very high96.9Very high23 Ų2348.8 Ų48.812%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-113.5117.8170.1-54.7-62.2000108G49 K50 L52 K94 I95 R96G49-I119 CarbonylContact C-O 3.45Å; K50-I119 HydrophobicContact CB-CB 4.43Å; K50-I119 PolarHBondContact N-O 3.37Å; K50-I119 PolarHBondContact O-N 3Å; L52-I119 HydrophobicContact CD2-CD1 3.94Å; L52-I119 HydrophobicContact CD2-CG1 4Å; K94-I119 HydrophobicContact CD-CG2 4.34Å; K94-I119 HydrophobicContact CG-CG2 3.91Å; I95-I119 CarbonylContact O-C 3.54Å; I95-I119 WeakPolarHBondContact O-CA 3.11Å; R96-I119 HydrophobicContact CB-CD1 3.75Å; R96-I119 HydrophobicContact CG-CD1 3.6Å
120F98.4Very high97Very high8 Ų846.8 Ų46.84%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-109.8131.2173-74.7-86.2000110.7Y47 V48 F57 I77 F80 K94 I95 I97 L118 I122Y47-F120 AromaticContact CD2-CD1 3.93Å; Y47-F120 HydrophobicContact CD2-CD1 3.93Å; Y47-F120 AromaticContact CD2-CE1 3.93Å; Y47-F120 HydrophobicContact CD2-CE1 3.93Å; Y47-F120 HydrophobicContact CE2-CE1 4.21Å; V48-F120 CarbonylContact O-C 3.25Å; V48-F120 VanDerWaalsContact O-CA 3.31Å; V48-F120 WeakPolarHBondContact O-CA 3.47Å; F57-F120 AromaticContact CE2-CE1 4Å; F57-F120 HydrophobicContact CE2-CE1 4Å; F57-F120 AromaticContact CE2-CZ 3.79Å; F57-F120 HydrophobicContact CE2-CZ 3.79Å; F57-F120 AromaticContact CZ-CE1 3.91Å; F57-F120 HydrophobicContact CZ-CE1 3.91Å; F57-F120 HydrophobicContact CZ-CE2 4.05Å; F57-F120 AromaticContact CZ-CZ 3.53Å; F57-F120 HydrophobicContact CZ-CZ 3.53Å; I77-F120 HydrophobicContact CD1-CE2 3.84Å; I77-F120 HydrophobicContact CD1-CZ 4.26Å; F80-F120 HydrophobicContact CD2-CD1 4.27Å; F80-F120 HydrophobicContact CD2-CE1 4.28Å; F80-F120 HydrophobicContact CD2-CG 4.37Å; F80-F120 HydrophobicContact CD2-CZ 4.4Å; F80-F120 AromaticContact CE2-CD1 3.88Å; F80-F120 HydrophobicContact CE2-CD1 3.88Å; F80-F120 HydrophobicContact CE2-CE1 4.08Å; F80-F120 HydrophobicContact CE2-CG 4.28Å; K94-F120 CarbonylContact C-O 3.58Å; K94-F120 VanDerWaalsContact CA-O 3.28Å; K94-F120 WeakPolarHBondContact CA-O 3.33Å; I95-F120 HydrophobicContact CB-CB 4.39Å; I95-F120 PolarHBondContact N-O 3.14Å; I95-F120 PolarHBondContact O-N 3.1Å; I97-F120 HydrophobicContact CD1-CD2 3.71Å; I97-F120 HydrophobicContact CD1-CE2 3.98Å; I97-F120 HydrophobicContact CG1-CD2 4.46Å; L118-F120 HydrophobicContact CB-CD2 4.13Å; L118-F120 HydrophobicContact CB-CE2 3.74Å; L118-F120 HydrophobicContact CD1-CE2 3.77Å; L118-F120 HydrophobicContact CD1-CZ 4.34Å; L118-F120 HydrophobicContact CG-CE2 4.41Å; F120-I122 HydrophobicContact CB-CD1 4.04Å; F120-I122 HydrophobicContact CB-CG1 3.78Å
121E98.2Very high97Very high58 Ų5841.9 Ų41.927%0.27121%0.213SC..EExtended strand (participates in β ladder)trans-93.7119.4157.1-70.1165.1-146.500107L28 Y47 V48 K50 A93L28-E121 HydrophobicContact CD1-CG 4.22Å; Y47-E121 CarbonylContact C-O 3.57Å; Y47-E121 WeakPolarHBondContact CA-O 3.42Å; V48-E121 HydrophobicContact CB-CB 4.48Å; V48-E121 PolarHBondContact N-O 3.39Å; V48-E121 PolarHBondContact O-N 2.97Å; K50-E121 IonicContact NZ-OE1 3.86Å; K50-E121 PolarHBondContact NZ-OE1 2.98Å; A93-E121 CarbonylContact O-C 3.58Å; A93-E121 WeakPolarHBondContact O-CA 3.32Å
122I98.6Very high97Very high0 Ų036.2 Ų36.20%019%0.189CC..EExtended strand (participates in β ladder)trans-121.8130-176.1-52.6178.8000108.8V45 H46 F80 I84 M87 L92 A93 I95 F120V45-I122 HydrophobicContact CB-CG2 4.23Å; V45-I122 HydrophobicContact CG1-CG2 4.32Å; H46-I122 CarbonylContact O-C 3.54Å; H46-I122 WeakPolarHBondContact O-CA 3.46Å; F80-I122 HydrophobicContact CD1-CD1 4.26Å; F80-I122 HydrophobicContact CD2-CD1 3.93Å; F80-I122 HydrophobicContact CE1-CD1 3.91Å; F80-I122 HydrophobicContact CE1-CG2 4.48Å; F80-I122 HydrophobicContact CE2-CD1 3.58Å; F80-I122 HydrophobicContact CE2-CG1 4.09Å; F80-I122 HydrophobicContact CG-CD1 4.27Å; F80-I122 HydrophobicContact CZ-CD1 3.56Å; F80-I122 HydrophobicContact CZ-CG1 4.02Å; F80-I122 HydrophobicContact CZ-CG2 4.22Å; I84-I122 HydrophobicContact CD1-CG2 3.84Å; M87-I122 HydrophobicContact CE-CB 4.13Å; M87-I122 HydrophobicContact CE-CG2 4.02Å; M87-I122 WeakPolarHBondContact CE-O 3.34Å; M87-I122 HydrophobicContact SD-CB 4.05Å; M87-I122 HydrophobicContact SD-CG2 3.81Å; L92-I122 CarbonylContact C-O 3.57Å; L92-I122 VanDerWaalsContact CA-O 3.31Å; L92-I122 WeakPolarHBondContact CA-O 3.28Å; A93-I122 PolarHBondContact N-O 3.26Å; A93-I122 PolarHBondContact O-N 3.1Å; I95-I122 HydrophobicContact CG1-CD1 3.79Å; I95-I122 HydrophobicContact CG1-CG1 4.26Å; F120-I122 HydrophobicContact CB-CD1 4.04Å; F120-I122 HydrophobicContact CB-CG1 3.78Å
123E98.4Very high97Very high43 Ų4336 Ų3620%0.20119%0.188CC..EExtended strand (participates in β ladder)trans-111115.9170.6-171.9-180-166.900108.8V45 H46 R61 E91 L92 L125V45-E123 CarbonylContact C-O 3.59Å; V45-E123 WeakPolarHBondContact CA-O 3.35Å; V45-E123 WeakPolarHBondContact CB-O 3.46Å; H46-E123 HydrophobicContact CB-CB 4.21Å; H46-E123 PolarHBondContact N-O 3.22Å; H46-E123 PolarHBondContact O-N 2.95Å; R61-E123 IonicContact CZ-OE2 3.25Å; R61-E123 IonicContact NH1-OE2 2.72Å; R61-E123 PolarHBondContact NH1-OE2 3.41Å; R61-E123 IonicContact NH2-OE2 3.45Å; R61-E123 PolarHBondContact NH2-OE2 3.12Å; E91-E123 WeakPolarHBondContact O-CA 3.16Å; L92-E123 HydrophobicContact CD1-CB 3.85Å; E123-L125 HydrophobicContact CB-CD2 4.49Å; E123-L125 HydrophobicContact CG-CD2 3.85Å; E123-L125 PolarHBondContact O-N 3.14Å
124L98.4Very high97Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-82.8109.8176.4178.559.2000109.9P37 V43 V45 M87 G90 E91 W127P37-L124 HydrophobicContact CG-CD2 4.02Å; V43-L124 HydrophobicContact CB-CD1 4.16Å; V43-L124 HydrophobicContact CG1-CD1 4.29Å; V45-L124 HydrophobicContact CG1-CD1 3.9Å; M87-L124 HydrophobicContact CB-CB 4.24Å; M87-L124 HydrophobicContact CB-CD2 3.85Å; M87-L124 HydrophobicContact CE-CB 4Å; M87-L124 WeakPolarHBondContact O-CD2 3.29Å; G90-L124 VanDerWaalsContact CA-O 3.23Å; G90-L124 WeakPolarHBondContact CA-O 3.33Å; G90-L124 PolarHBondContact N-O 3.09Å; E91-L124 PolarHBondContact O-N 2.99Å; L124-W127 HydrophobicContact CD2-CE3 3.98Å; L124-W127 HydrophobicContact CD2-CZ3 3.96Å; L124-W127 HydrophobicContact CG-CE3 4.38Å
125L97.6Very high96.9Very high50 Ų5037.7 Ų37.726%0.26219%0.194SC..EExtended strand (participates in β ladder)trans-85.3-42.7-173.7-54.2174.7000112.2F44 E66 L89 E123F44-L125 VanDerWaalsContact O-CB 3.32Å; F44-L125 WeakPolarHBondContact O-CB 3.47Å; F44-L125 PolarHBondContact O-N 3.41Å; E66-L125 HydrophobicContact CB-CD1 3.95Å; L89-L125 WeakPolarHBondContact CD1-O 3.28Å; E123-L125 HydrophobicContact CB-CD2 4.49Å; E123-L125 HydrophobicContact CG-CD2 3.85Å; E123-L125 PolarHBondContact O-N 3.14Å
126R96.5Very high96.8Very high82 Ų8240.6 Ų40.631%0.30920%0.198SC..EExtended strand (participates in β ladder)trans-174.7167.9-177.656.5-170.4-175.478.62.1110.7F44 E66 L89 E128F44-R126 HydrophobicContact CB-CG 3.76Å; F44-R126 HydrophobicContact CD2-CG 3.88Å; F44-R126 VanDerWaalsContact CD2-CZ 3.43Å; F44-R126 HydrophobicContact CG-CG 4.05Å; F44-R126 VanDerWaalsContact CZ-NH1 3.31Å; F44-R126 PolarHBondContact N-O 3.44Å; F44-R126 PolarHBondContact O-N 3.14Å; E66-R126 IonicContact OE1-CZ 3.33Å; E66-R126 IonicContact OE1-NH2 3.4Å; E66-R126 PolarHBondContact OE1-NH2 3.31Å; E66-R126 IonicContact OE2-NE 3.68Å; E66-R126 IonicContact OE2-NH2 2.7Å; L89-R126 HydrophobicContact CD1-CB 4.27Å; R126-E128 IonicContact CZ-OE1 3.79Å; R126-E128 IonicContact NH1-OE1 2.74Å; R126-E128 PolarHBondContact NH1-OE1 2.97Å
127W95.7Very high96.8Very high62 Ų6243.6 Ų43.624%0.23521%0.212CC..EExtended strand (participates in β ladder)trans-141.6162.4166.865.493.7000111.7A35 P37 N41 K42 V43 L89 L124A35-W127 HydrophobicContact CB-CH2 4.23Å; A35-W127 HydrophobicContact CB-CZ2 4.03Å; A35-W127 WeakPolarHBondContact O-CH2 3.4Å; P37-W127 HydrophobicContact CB-CB 4.17Å; P37-W127 HydrophobicContact CB-CD2 4.18Å; P37-W127 HydrophobicContact CB-CG 3.98Å; N41-W127 HydrophobicContact CB-CB 4.41Å; K42-W127 CarbonylContact O-C 3.56Å; K42-W127 WeakPolarHBondContact O-CA 3.47Å; V43-W127 HydrophobicContact CB-CB 4.48Å; V43-W127 HydrophobicContact CG1-CB 3.85Å; L89-W127 HydrophobicContact CB-CH2 3.97Å; L89-W127 HydrophobicContact CB-CZ3 3.67Å; L89-W127 HydrophobicContact CD1-CE3 4.31Å; L89-W127 HydrophobicContact CD1-CZ3 3.93Å; L89-W127 HydrophobicContact CG-CZ3 4.4Å; L124-W127 HydrophobicContact CD2-CE3 3.98Å; L124-W127 HydrophobicContact CD2-CZ3 3.96Å; L124-W127 HydrophobicContact CG-CE3 4.38Å
128E94Very high96.7Very high45 Ų4547 Ų4721%0.2122%0.224CC..EExtended strand (participates in β ladder)trans-124.4145.7176.9-65.2172.2-16100109.3N41 K42 F44 R126 K138N41-E128 CarbonylContact C-O 3.54Å; N41-E128 VanDerWaalsContact CA-O 3.27Å; N41-E128 WeakPolarHBondContact CA-O 3.46Å; N41-E128 WeakPolarHBondContact CB-O 3.45Å; N41-E128 PolarHBondContact ND2-O 2.99Å; K42-E128 HydrophobicContact CB-CB 4.5Å; K42-E128 PolarHBondContact N-O 3.42Å; K42-E128 PolarHBondContact O-N 2.72Å; F44-E128 HydrophobicContact CE2-CG 3.94Å; F44-E128 WeakPolarHBondContact CE2-OE1 3.17Å; F44-E128 WeakPolarHBondContact CZ-OE1 3.4Å; R126-E128 IonicContact CZ-OE1 3.79Å; R126-E128 IonicContact NH1-OE1 2.74Å; R126-E128 PolarHBondContact NH1-OE1 2.97Å; E128-K138 IonicContact OE1-NZ 3.89Å; E128-K138 IonicContact OE2-NZ 2.97Å; E128-K138 PolarHBondContact OE2-NZ 2.98Å
129G94.6Very high96.7Very high13 Ų1347.2 Ų47.213%0.13423%0.226CC..  trans-57.7158.2168.100000112.1N41 D131 K142 T143N41-G129 WeakPolarHBondContact ND2-CA 3.34Å; G129-D131 PolarHBondContact O-N 3.36Å; G129-K142 CarbonylContact C-O 3.56Å; G129-K142 WeakPolarHBondContact CA-O 3.48Å; G129-T143 WeakPolarHBondContact CA-OG1 3.45Å
130E94.8Very high96.7Very high57 Ų5746.1 Ų46.127%0.26622%0.22SC..EExtended strand (participates in β ladder)trans-63124.4167.1-178.9174.5-165.400109.2R73 I132 L141 K142R73-E130 IonicContact CZ-OE1 2.6Å; R73-E130 VanDerWaalsContact NH2-CD 3.32Å; R73-E130 IonicContact NH2-OE1 2.63Å; R73-E130 PolarHBondContact NH2-OE1 3.33Å; R73-E130 IonicContact NH2-OE2 2.66Å; E130-I132 HydrophobicContact CB-CG2 4.45Å; E130-I132 HydrophobicContact CG-CG2 3.93Å; E130-I132 PolarHBondContact O-N 2.88Å; E130-L141 CarbonylContact O-C 3.59Å; E130-L141 WeakPolarHBondContact O-CA 3.03Å; E130-K142 PolarHBondContact N-O 3.32Å; E130-K142 PolarHBondContact O-N 3.02Å
131D95.2Very high96.6Very high29 Ų2947.3 Ų47.316%0.15523%0.227CC..EExtended strand (participates in β ladder)trans-74.2107.3172.5-178.15.9000110.3G129 S133 R136 D137 K138 L141G129-D131 PolarHBondContact O-N 3.36Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.39Å; D131-S133 PolarHBondContact OD1-N 3Å; D131-S133 PolarHBondContact OD1-OG 2.94Å; D131-S133 PolarHBondContact OD2-OG 3.38Å; D131-R136 PolarHBondContact O-NH1 2.9Å; D131-R136 WeakPolarHBondContact OD2-CA 3.49Å; D131-D137 PolarHBondContact OD2-N 2.86Å; D131-K138 WeakPolarHBondContact OD2-CA 3.41Å; D131-K138 PolarHBondContact OD2-N 2.87Å; D131-L141 HydrophobicContact CB-CD2 4.04Å
132I96Very high96.6Very high10 Ų1045.1 Ų45.15%0.05122%0.216CC..  trans-106.210.6178.560.9160.3000112.5E130 I140 K142 A197 R200E130-I132 HydrophobicContact CB-CG2 4.45Å; E130-I132 HydrophobicContact CG-CG2 3.93Å; E130-I132 PolarHBondContact O-N 2.88Å; I132-I140 HydrophobicContact CD1-CG2 3.59Å; I132-I140 HydrophobicContact CG1-CB 3.95Å; I132-I140 HydrophobicContact CG1-CG2 3.39Å; I132-I140 WeakPolarHBondContact CG1-O 3.48Å; I132-I140 PolarHBondContact N-O 3.4Å; I132-K142 HydrophobicContact CD1-CB 3.86Å; I132-K142 HydrophobicContact CD1-CD 4.11Å; I132-K142 HydrophobicContact CG1-CB 4.08Å; I132-K142 HydrophobicContact CG2-CB 4.11Å; I132-K142 HydrophobicContact CG2-CD 4.38Å; I132-A197 HydrophobicContact CD1-CB 4.2Å; I132-R200 HydrophobicContact CB-CG 4.1Å; I132-R200 HydrophobicContact CD1-CB 4.18Å; I132-R200 HydrophobicContact CD1-CG 4.23Å; I132-R200 HydrophobicContact CG2-CB 4.26Å; I132-R200 HydrophobicContact CG2-CG 4.04Å
133S97.2Very high96.4Very high1 Ų145.9 Ų45.91%0.00722%0.221CC..  trans-64.9145.5174.865.10000111.3D131 D135 R136 D137 S139D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.39Å; D131-S133 PolarHBondContact OD1-N 3Å; D131-S133 PolarHBondContact OD1-OG 2.94Å; D131-S133 PolarHBondContact OD2-OG 3.38Å; S133-D135 PolarHBondContact O-N 2.88Å; S133-R136 PolarHBondContact O-N 2.87Å; S133-R136 WeakPolarHBondContact OG-CA 3.34Å; S133-R136 PolarHBondContact OG-N 3.34Å; S133-D137 WeakPolarHBondContact CB-OD1 3.26Å; S133-D137 PolarHBondContact OG-N 2.88Å; S133-D137 VanDerWaalsContact OG-N 3.13Å; S133-D137 PolarHBondContact OG-OD1 2.97Å; S133-D137 VanDerWaalsContact OG-OD1 3.08Å; S133-S139 VanDerWaalsContact CB-OG 3.3Å; S133-S139 WeakPolarHBondContact CB-OG 3.48Å
134P95.9Very high96.2Very high73 Ų7345.2 Ų45.247%0.47422%0.22SC..THydrogen-bonded Turntrans-55.8-38.3176.4-28.436.6000113.8W215P134-W215 VanDerWaalsContact CD-CZ2 3.48Å; P134-W215 HydrophobicContact CG-CH2 3.74Å; P134-W215 HydrophobicContact CG-CZ2 3.69Å
135D96.5Very high95.9Very high104 Ų10450.4 Ų50.456%0.55624%0.244SC*.THydrogen-bonded Turntrans-91.6-1.6-174.2-57.7-38.7000113.2S133 D137 K214S133-D135 PolarHBondContact O-N 2.88Å; D135-D137 HydrophobicContact CB-CB 4.36Å; D135-D137 PolarHBondContact O-N 3.37Å; D135-K214 IonicContact OD2-NZ 3.54Å; D135-K214 PolarHBondContact OD2-NZ 3.33Å
136R95.5Very high95.7Very high151 Ų15151.8 Ų51.857%0.5726%0.255SS*.SBendtrans5339.2-174.1-52.5-60-177.1169.82113.1D131 S133D131-R136 PolarHBondContact O-NH1 2.9Å; D131-R136 WeakPolarHBondContact OD2-CA 3.49Å; S133-R136 PolarHBondContact O-N 2.87Å; S133-R136 WeakPolarHBondContact OG-CA 3.34Å; S133-R136 PolarHBondContact OG-N 3.34Å
137D96.6Very high95.5Very high78 Ų7851.9 Ų51.942%0.41727%0.273SS..SBendtrans-103.217-17866.6-5.2000112.1D131 S133 D135 S139 K214D131-D137 PolarHBondContact OD2-N 2.86Å; S133-D137 WeakPolarHBondContact CB-OD1 3.26Å; S133-D137 PolarHBondContact OG-N 2.88Å; S133-D137 VanDerWaalsContact OG-N 3.13Å; S133-D137 PolarHBondContact OG-OD1 2.97Å; S133-D137 VanDerWaalsContact OG-OD1 3.08Å; D135-D137 HydrophobicContact CB-CB 4.36Å; D135-D137 PolarHBondContact O-N 3.37Å; D137-S139 PolarHBondContact O-N 3.44Å; D137-S139 VanDerWaalsContact O-N 3.15Å; D137-S139 WeakPolarHBondContact OD1-CB 3.43Å; D137-S139 PolarHBondContact OD1-N 2.66Å; D137-S139 VanDerWaalsContact OD1-N 3.14Å; D137-S139 PolarHBondContact OD1-OG 3.3Å; D137-K214 IonicContact OD2-NZ 3.85Å
138K95.9Very high95.5Very high99 Ų9949.8 Ų49.843%0.4327%0.27SS..SBendtrans58.219.5-176.7-54.6-172.4-175.6-168.80115E128 D131 I140 L141E128-K138 IonicContact OE1-NZ 3.89Å; E128-K138 IonicContact OE2-NZ 2.97Å; E128-K138 PolarHBondContact OE2-NZ 2.98Å; D131-K138 WeakPolarHBondContact OD2-CA 3.41Å; D131-K138 PolarHBondContact OD2-N 2.87Å; K138-I140 VanDerWaalsContact C-N 3.27Å; K138-I140 PolarHBondContact O-N 3.18Å; K138-L141 HydrophobicContact CB-CD2 3.99Å; K138-L141 HydrophobicContact CG-CD2 4.41Å
139S97.9Very high95.4Very high6 Ų653.1 Ų53.14%0.04229%0.286CS..SBendtrans-78-12.3-178.464.80000114.2S133 D137 Q212 W215S133-S139 VanDerWaalsContact CB-OG 3.3Å; S133-S139 WeakPolarHBondContact CB-OG 3.48Å; D137-S139 PolarHBondContact O-N 3.44Å; D137-S139 VanDerWaalsContact O-N 3.15Å; D137-S139 WeakPolarHBondContact OD1-CB 3.43Å; D137-S139 PolarHBondContact OD1-N 2.66Å; D137-S139 VanDerWaalsContact OD1-N 3.14Å; D137-S139 PolarHBondContact OD1-OG 3.3Å; S139-Q212 WeakPolarHBondContact O-CB 3.44Å; S139-Q212 PolarHBondContact O-N 2.94Å; S139-W215 PolarHBondContact OG-NE1 3.49Å
140I98.4Very high95.4Very high0 Ų054.8 Ų54.80%030%0.303CS..EExtended strand (participates in β ladder)trans-136.5109.6171-49.2-177.2000107.7I132 K138 K196 I209 V210 L211 W215I132-I140 HydrophobicContact CD1-CG2 3.59Å; I132-I140 HydrophobicContact CG1-CB 3.95Å; I132-I140 HydrophobicContact CG1-CG2 3.39Å; I132-I140 WeakPolarHBondContact CG1-O 3.48Å; I132-I140 PolarHBondContact N-O 3.4Å; K138-I140 VanDerWaalsContact C-N 3.27Å; K138-I140 PolarHBondContact O-N 3.18Å; I140-K196 HydrophobicContact CD1-CB 3.58Å; I140-K196 HydrophobicContact CD1-CG 3.92Å; I140-I209 HydrophobicContact CG2-CG2 4.17Å; I140-V210 WeakPolarHBondContact CA-O 3.35Å; I140-L211 HydrophobicContact CB-CD2 4.28Å; I140-L211 HydrophobicContact CG1-CD2 4.11Å; I140-L211 HydrophobicContact CG2-CD2 3.65Å; I140-W215 HydrophobicContact CD1-CB 4.19Å; I140-W215 HydrophobicContact CD1-CD2 3.63Å; I140-W215 HydrophobicContact CD1-CE3 4.11Å; I140-W215 HydrophobicContact CD1-CG 3.65Å; I140-W215 HydrophobicContact CG1-CB 3.99Å; I140-W215 HydrophobicContact CG1-CD2 4.04Å; I140-W215 HydrophobicContact CG1-CG 3.54Å
141L97.3Very high95.2Very high33 Ų3361.7 Ų61.717%0.17333%0.328CS..EExtended strand (participates in β ladder)trans-108.4136.5176.8-59.1177.3000110.5E130 D131 K138 I209 V210E130-L141 CarbonylContact O-C 3.59Å; E130-L141 WeakPolarHBondContact O-CA 3.03Å; D131-L141 HydrophobicContact CB-CD2 4.04Å; K138-L141 HydrophobicContact CB-CD2 3.99Å; K138-L141 HydrophobicContact CG-CD2 4.41Å; L141-I209 CarbonylContact O-C 3.52Å; L141-I209 VanDerWaalsContact O-CA 3.31Å; L141-I209 WeakPolarHBondContact O-CA 3.4Å; L141-V210 HydrophobicContact CB-CB 4.22Å; L141-V210 PolarHBondContact N-O 2.87Å; L141-V210 PolarHBondContact O-N 2.97Å
142K97.3Very high95.2Very high11 Ų1166.8 Ų66.85%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-120.8131.5179.8174.4172.3-176.4-92.20111.2G129 E130 I132 R200 I201 E205 S207 H208 I209G129-K142 CarbonylContact C-O 3.56Å; G129-K142 WeakPolarHBondContact CA-O 3.48Å; E130-K142 PolarHBondContact N-O 3.32Å; E130-K142 PolarHBondContact O-N 3.02Å; I132-K142 HydrophobicContact CD1-CB 3.86Å; I132-K142 HydrophobicContact CD1-CD 4.11Å; I132-K142 HydrophobicContact CG1-CB 4.08Å; I132-K142 HydrophobicContact CG2-CB 4.11Å; I132-K142 HydrophobicContact CG2-CD 4.38Å; K142-R200 HydrophobicContact CD-CB 4.07Å; K142-R200 WeakPolarHBondContact CE-O 3.34Å; K142-R200 PolarHBondContact NZ-O 3.4Å; K142-I201 HydrophobicContact CD-CG1 4.29Å; K142-I201 VanDerWaalsContact CE-CG1 3.46Å; K142-E205 WeakPolarHBondContact CE-OE1 3.48Å; K142-E205 IonicContact NZ-OE1 2.91Å; K142-E205 PolarHBondContact NZ-OE1 3.09Å; K142-E205 IonicContact NZ-OE2 2.71Å; K142-S207 WeakPolarHBondContact CE-OG 3.47Å; K142-H208 CarbonylContact C-O 3.45Å; K142-H208 WeakPolarHBondContact CA-O 2.84Å; K142-I209 HydrophobicContact CB-CD1 3.74Å; K142-I209 HydrophobicContact CD-CD1 4.05Å; K142-I209 HydrophobicContact CG-CD1 3.64Å
143T95.4Very high95.3Very high16 Ų1668.1 Ų68.110%0.09836%0.359CS..EExtended strand (participates in β ladder)trans-128.1120.3170.1-60.60000109.2N41 G129 Q145 S207 H208N41-T143 PolarHBondContact ND2-OG1 2.85Å; N41-T143 VanDerWaalsContact ND2-OG1 3.08Å; N41-T143 WeakPolarHBondContact OD1-CG2 3.16Å; G129-T143 WeakPolarHBondContact CA-OG1 3.45Å; T143-Q145 PolarHBondContact O-N 3.37Å; T143-S207 CarbonylContact O-C 3.55Å; T143-S207 WeakPolarHBondContact O-CA 3.1Å; T143-H208 PolarHBondContact N-O 3.19Å; T143-H208 PolarHBondContact O-N 3.4Å
144V94Very high95.3Very high30 Ų3068.1 Ų68.118%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-70.2126.7177.8-178.10000108.9T38 V146 E205 S207T38-V144 WeakPolarHBondContact CB-O 3.44Å; T38-V144 VanDerWaalsContact CG2-O 3.28Å; T38-V144 WeakPolarHBondContact CG2-O 3.28Å; T38-V144 PolarHBondContact OG1-O 2.91Å; V144-V146 WeakPolarHBondContact CG1-O 3.42Å; V144-E205 HydrophobicContact CG1-CG 4Å; V144-S207 WeakPolarHBondContact CA-OG 3.5Å
145Q92.3Very high95.3Very high108 Ų10868.8 Ų68.851%0.50536%0.355SS..EExtended strand (participates in β ladder)trans-101-44176.1-64.5-64.2-36.300110.7T143 T206 H208 L236T143-Q145 PolarHBondContact O-N 3.37Å; Q145-T206 WeakPolarHBondContact CA-O 3.33Å; Q145-T206 HydrophobicContact CB-CG2 4.37Å; Q145-T206 WeakPolarHBondContact CB-O 3.44Å; Q145-T206 PolarHBondContact N-O 3.33Å; Q145-H208 HydrophobicContact CG-CB 4.07Å; Q145-L236 HydrophobicContact CG-CD1 3.94Å
146V93.6Very high95.2Very high80 Ų8068.3 Ų68.349%0.48535%0.35SS..EExtended strand (participates in β ladder)trans-126.3126.4172.7-178.20000107.7V144 E205 T206V144-V146 WeakPolarHBondContact CG1-O 3.42Å; V146-E205 WeakPolarHBondContact O-CA 3.38Å; V146-E205 WeakPolarHBondContact O-CG 3.47Å; V146-T206 PolarHBondContact N-O 3.45Å; V146-T206 PolarHBondContact O-N 2.84Å
147A92.3Very high95.2Very high83 Ų8362.6 Ų62.669%0.68634%0.338SS*.PPolyproline II helixtrans-66.2135.4179.300000110.9
148G94Very high95.3Very high18 Ų1858.9 Ų58.919%0.18632%0.318CS..PPolyproline II helixtrans-83.5172.6169.800000113.1K203G148-K203 CarbonylContact C-O 3.51Å; G148-K203 WeakPolarHBondContact CA-O 3.43Å
149E93.8Very high95.4Very high115 Ų11557.5 Ų57.554%0.53732%0.318SS..EExtended strand (participates in β ladder)trans-94.6156.4176.263178.2-164.800112.5K203E149-K203 HydrophobicContact CG-CB 4.24Å; E149-K203 HydrophobicContact CG-CD 4.4Å; E149-K203 HydrophobicContact CG-CG 4.39Å; E149-K203 PolarHBondContact N-O 2.83Å; E149-K203 VanDerWaalsContact OE1-CD 3.3Å; E149-K203 WeakPolarHBondContact OE1-CD 3.35Å; E149-K203 VanDerWaalsContact OE1-CE 3.24Å; E149-K203 WeakPolarHBondContact OE1-CE 3.38Å; E149-K203 IonicContact OE1-NZ 3.67Å; E149-K203 PolarHBondContact OE1-NZ 3.09Å
150G93.4Very high95.5Very high48 Ų4857.5 Ų57.550%0.49532%0.318SS..EExtended strand (participates in β ladder)trans64.6-16317900000114.1R202G150-R202 WeakPolarHBondContact O-CD 3.41Å; G150-R202 PolarHBondContact O-NH1 3.21Å
151Y91.4Very high95.5Very high203 Ų20359 Ų5980%0.79633%0.328SS*.EExtended strand (participates in β ladder)trans-120.4-13.5-178.4-62-78.9000113.1
152E95.3Very high95.5Very high136 Ų13657.4 Ų57.464%0.63632%0.32SS*.EExtended strand (participates in β ladder)trans-78.1153.7-177.4-63-170.1113.700111.7F242E152-F242 HydrophobicContact CB-CE2 4.28Å; E152-F242 HydrophobicContact CB-CZ 4.02Å
153T96.7Very high95.6Very high37 Ų3759.1 Ų59.123%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-135.3164.8174.152.80000108.2T199 R202 F242 N244T153-T199 PolarHBondContact OG1-O 2.97Å; T153-R202 HydrophobicContact CG2-CG 4.04Å; T153-F242 VanDerWaalsContact C-CZ 3.49Å; T153-F242 WeakPolarHBondContact O-CE2 3.43Å; T153-N244 PolarHBondContact O-ND2 2.94Å; T153-N244 VanDerWaalsContact O-ND2 3.09Å
154A97.7Very high95.8Very high2 Ų258.4 Ų58.42%0.01732%0.323CS..PPolyproline II helixtrans-65.1137.7175.400000110.4A158 V160 V182 T199 F242 N244A154-A158 HydrophobicContact CB-CB 4.03Å; A154-V160 HydrophobicContact CB-CG2 3.69Å; A154-V182 HydrophobicContact CB-CG2 3.82Å; A154-T199 VanDerWaalsContact O-CA 3.28Å; A154-T199 WeakPolarHBondContact O-CA 3.33Å; A154-F242 HydrophobicContact CB-CB 4.02Å; A154-F242 HydrophobicContact CB-CD1 4.24Å; A154-F242 HydrophobicContact CB-CD2 4.34Å; A154-F242 HydrophobicContact CB-CG 3.95Å; A154-N244 WeakPolarHBondContact CA-OD1 3.33Å
155K96.3Very high96Very high86 Ų8660.1 Ų60.137%0.37433%0.329SS..PPolyproline II helixtrans-99.5165.2174.9-63.1179.9-173.91760109.6G157 A158 V182 N244 E247K155-G157 PolarHBondContact O-N 2.96Å; K155-A158 WeakPolarHBondContact O-CB 3.25Å; K155-A158 PolarHBondContact O-N 3Å; K155-V182 WeakPolarHBondContact O-CB 3.32Å; K155-N244 PolarHBondContact N-OD1 3.05Å; K155-E247 IonicContact NZ-OE1 3.69Å; K155-E247 PolarHBondContact NZ-OE1 3.31Å
156E95.1Very high96.3Very high94 Ų9455 Ų5544%0.43931%0.305SS..THydrogen-bonded Turntrans-51.1129169.7-17568.8-163.200110.2A158 G183 P245E156-A158 VanDerWaalsContact C-N 3.34Å; E156-G183 WeakPolarHBondContact OE1-CA 3.44Å; E156-P245 WeakPolarHBondContact O-CG 3.45Å
157G95.4Very high96.5Very high31 Ų3152.8 Ų52.832%0.3229%0.291SS..THydrogen-bonded Turntrans84.7-4-175.600000115.6K155 V182K155-G157 PolarHBondContact O-N 2.96Å; G157-V182 WeakPolarHBondContact CA-O 3.36Å; G157-V182 PolarHBondContact N-O 3.33Å
158A98.1Very high96.8Very high0 Ų049.7 Ų49.70%026%0.262CS..  trans-66.7141.6175.700000111.4A154 K155 E156 V160 T181 V182 E243 N244A154-A158 HydrophobicContact CB-CB 4.03Å; K155-A158 WeakPolarHBondContact O-CB 3.25Å; K155-A158 PolarHBondContact O-N 3Å; E156-A158 VanDerWaalsContact C-N 3.34Å; A158-V160 HydrophobicContact CB-CG2 4.25Å; A158-T181 CarbonylContact O-C 3.58Å; A158-T181 VanDerWaalsContact O-CA 3.27Å; A158-T181 WeakPolarHBondContact O-CA 3.23Å; A158-V182 HydrophobicContact CB-CG2 4.21Å; A158-V182 PolarHBondContact O-N 3.02Å; A158-E243 CarbonylContact C-O 3.42Å; A158-E243 WeakPolarHBondContact CA-O 3.35Å; A158-E243 WeakPolarHBondContact CB-O 3.22Å; A158-N244 VanDerWaalsContact CB-OD1 3.3Å; A158-N244 WeakPolarHBondContact CB-OD1 3.42Å
159T98.4Very high96.8Very high71 Ų7156.2 Ų56.244%0.43629%0.288SS..EExtended strand (participates in β ladder)trans-82.3132.6165.7560000108.3V180 F242 E243T159-V180 CarbonylContact C-O 3.51Å; T159-V180 WeakPolarHBondContact CA-O 3.46Å; T159-F242 CarbonylContact O-C 3.6Å; T159-F242 WeakPolarHBondContact O-CA 3.45Å; T159-F242 WeakPolarHBondContact O-CB 3.31Å; T159-E243 PolarHBondContact N-O 3.18Å; T159-E243 PolarHBondContact O-N 2.86Å
160V98.6Very high96.7Very high5 Ų558.4 Ų58.43%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-136.6130.7-172.4-166.80000109.3A154 A158 I162 D179 V180 V182 L198 T239 S241 F242A154-V160 HydrophobicContact CB-CG2 3.69Å; A158-V160 HydrophobicContact CB-CG2 4.25Å; V160-I162 HydrophobicContact CB-CG2 4.28Å; V160-I162 HydrophobicContact CG1-CG2 3.31Å; V160-D179 WeakPolarHBondContact O-CA 3.32Å; V160-V180 HydrophobicContact CB-CG2 4.22Å; V160-V180 PolarHBondContact N-O 3.36Å; V160-V180 PolarHBondContact O-N 3.46Å; V160-V182 HydrophobicContact CG2-CG2 3.5Å; V160-V182 VanDerWaalsContact CG2-CG2 3.5Å; V160-L198 HydrophobicContact CG1-CD2 4.41Å; V160-T239 HydrophobicContact CG1-CG2 3.9Å; V160-S241 WeakPolarHBondContact CA-O 3.32Å; V160-S241 WeakPolarHBondContact CG1-O 3.31Å; V160-F242 HydrophobicContact CB-CB 4.29Å; V160-F242 HydrophobicContact CG1-CB 4.1Å; V160-F242 HydrophobicContact CG2-CB 3.88Å
161S98.7Very high96.9Very high32 Ų3261.8 Ų61.822%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-99.6119168.6-161.50000109.2D179 Y240 S241S161-D179 WeakPolarHBondContact CB-OD1 3.1Å; S161-D179 PolarHBondContact OG-OD1 3.22Å; S161-Y240 PolarHBondContact O-N 3.43Å; S161-S241 PolarHBondContact N-O 2.91Å; S161-S241 PolarHBondContact O-N 2.67Å
162I98.8Very high97.2Very high0 Ų055.4 Ų55.40%028%0.283CS..EExtended strand (participates in β ladder)trans-134.2156.9-17462.7-179.9000111.9V160 V164 N177 F178 V180 L190 I194 L198 T238 T239V160-I162 HydrophobicContact CB-CG2 4.28Å; V160-I162 HydrophobicContact CG1-CG2 3.31Å; I162-V164 HydrophobicContact CB-CG2 4.48Å; I162-V164 HydrophobicContact CD1-CG2 3.53Å; I162-V164 HydrophobicContact CG1-CG2 3.88Å; I162-N177 CarbonylContact O-C 3.48Å; I162-N177 VanDerWaalsContact O-CA 3.3Å; I162-N177 WeakPolarHBondContact O-CA 3.37Å; I162-F178 HydrophobicContact CD1-CB 4.43Å; I162-F178 HydrophobicContact CG1-CB 3.89Å; I162-F178 PolarHBondContact N-O 3.15Å; I162-F178 PolarHBondContact O-N 3.35Å; I162-V180 HydrophobicContact CD1-CG2 3.92Å; I162-V180 HydrophobicContact CG1-CG2 4.39Å; I162-L190 HydrophobicContact CD1-CD1 4.11Å; I162-I194 HydrophobicContact CD1-CG2 4.41Å; I162-L198 HydrophobicContact CD1-CD1 4.22Å; I162-L198 HydrophobicContact CD1-CD2 4.23Å; I162-L198 HydrophobicContact CG2-CD2 3.74Å; I162-T238 CarbonylContact C-O 3.5Å; I162-T238 WeakPolarHBondContact CA-O 3.3Å; I162-T238 WeakPolarHBondContact CB-O 3.34Å; I162-T239 HydrophobicContact CG2-CG2 4.42Å
163H98.8Very high97.4Very high47 Ų4750.1 Ų50.122%0.21826%0.259CS..EExtended strand (participates in β ladder)trans-110.6132.1162.1177.7-96.6000109.3D175 N177 V237 T238 Y240H163-D175 IonicContact CE1-OD1 3.71Å; H163-D175 PolarHBondContact CE1-OD1 3.43Å; H163-D175 IonicContact ND1-OD1 2.68Å; H163-D175 IonicContact NE2-OD1 2.56Å; H163-D175 PolarHBondContact NE2-OD1 2.83Å; H163-N177 WeakPolarHBondContact CB-OD1 3.39Å; H163-N177 PolarHBondContact CD2-OD1 3.43Å; H163-N177 VanDerWaalsContact CD2-OD1 3.25Å; H163-V237 WeakPolarHBondContact O-CA 3.46Å; H163-T238 PolarHBondContact N-O 3.41Å; H163-T238 PolarHBondContact O-N 2.81Å; H163-Y240 HydrophobicContact CB-CE2 3.66Å; H163-Y240 VanDerWaalsContact CB-OH 3.23Å; H163-Y240 WeakPolarHBondContact CB-OH 3.35Å
164V98.8Very high97.5Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-129.5123-178.7-174.40000109.9I162 F174 K176 F178 L190 F235 L236 V237I162-V164 HydrophobicContact CB-CG2 4.48Å; I162-V164 HydrophobicContact CD1-CG2 3.53Å; I162-V164 HydrophobicContact CG1-CG2 3.88Å; V164-F174 HydrophobicContact CB-CE2 4.14Å; V164-F174 HydrophobicContact CG1-CE2 3.84Å; V164-F174 HydrophobicContact CG1-CZ 4.38Å; V164-K176 PolarHBondContact N-O 3.06Å; V164-K176 PolarHBondContact O-N 3.29Å; V164-K176 VanDerWaalsContact O-N 3.15Å; V164-F178 HydrophobicContact CB-CD2 3.99Å; V164-F178 HydrophobicContact CB-CE2 3.73Å; V164-F178 HydrophobicContact CG2-CD2 3.95Å; V164-F178 HydrophobicContact CG2-CE2 4.18Å; V164-L190 HydrophobicContact CG1-CD2 4.25Å; V164-L190 HydrophobicContact CG2-CD1 4.27Å; V164-F235 HydrophobicContact CG1-CB 4.48Å; V164-F235 HydrophobicContact CG1-CD1 3.83Å; V164-L236 WeakPolarHBondContact CA-O 3.39Å; V164-V237 HydrophobicContact CG1-CG2 4.33Å; V164-V237 HydrophobicContact CG2-CG1 4.39Å; V164-V237 HydrophobicContact CG2-CG2 4.44Å
165K98.8Very high97.5Very high67 Ų6753.3 Ų53.329%0.29127%0.273SS..EExtended strand (participates in β ladder)trans-106.3114.2166.7-174.9179.3-174.81680109.6V167 V172 F174 D175 F235 L236K165-V167 HydrophobicContact CD-CG2 4.41Å; K165-V167 HydrophobicContact CG-CG2 4.09Å; K165-V172 VanDerWaalsContact CE-CG2 3.48Å; K165-V172 HydrophobicContact CG-CG1 4.26Å; K165-F174 CarbonylContact C-O 3.48Å; K165-F174 WeakPolarHBondContact CA-O 3.47Å; K165-D175 HydrophobicContact CB-CB 4.41Å; K165-D175 WeakPolarHBondContact CB-OD1 3.42Å; K165-D175 VanDerWaalsContact CD-OD2 3.28Å; K165-D175 WeakPolarHBondContact CD-OD2 3.49Å; K165-D175 HydrophobicContact CG-CB 4.09Å; K165-D175 IonicContact NZ-OD2 3.66Å; K165-F235 CarbonylContact O-C 3.58Å; K165-F235 VanDerWaalsContact O-CA 3.29Å; K165-F235 WeakPolarHBondContact O-CA 3.28Å; K165-L236 HydrophobicContact CB-CB 4.16Å; K165-L236 PolarHBondContact N-O 3.49Å; K165-L236 PolarHBondContact O-N 2.85Å
166A98.7Very high97.6Very high0 Ų054.7 Ų54.70%028%0.279CS..EExtended strand (participates in β ladder)trans-97133.7175.200000110.6V172 L173 F174 N234 F235A166-V172 WeakPolarHBondContact O-CA 3.19Å; A166-L173 HydrophobicContact CB-CB 4.15Å; A166-L173 HydrophobicContact CB-CD1 4.24Å; A166-L173 PolarHBondContact O-N 3.11Å; A166-F174 HydrophobicContact CB-CD1 3.87Å; A166-F174 HydrophobicContact CB-CD2 4.2Å; A166-F174 HydrophobicContact CB-CE1 3.45Å; A166-F174 VanDerWaalsContact CB-CE1 3.45Å; A166-F174 HydrophobicContact CB-CE2 3.82Å; A166-F174 HydrophobicContact CB-CG 4.23Å; A166-F174 HydrophobicContact CB-CZ 3.42Å; A166-F174 VanDerWaalsContact CB-CZ 3.42Å; A166-F174 PolarHBondContact N-O 3.41Å; A166-N234 CarbonylContact C-O 3.55Å; A166-N234 WeakPolarHBondContact CA-O 3.3Å; A166-F235 HydrophobicContact CB-CD1 3.63Å; A166-F235 HydrophobicContact CB-CE1 3.5Å; A166-F235 HydrophobicContact CB-CZ 4.38Å
167V98.4Very high97.8Very high33 Ų3355.2 Ų55.220%0.229%0.285CS..EExtended strand (participates in β ladder)trans-134.1132.8-176.8-173.20000110.2K165 R171 V172 N234K165-V167 HydrophobicContact CD-CG2 4.41Å; K165-V167 HydrophobicContact CG-CG2 4.09Å; V167-R171 WeakPolarHBondContact CA-O 3.07Å; V167-V172 HydrophobicContact CG2-CG2 4.41Å; V167-N234 HydrophobicContact CB-CB 4.48Å; V167-N234 PolarHBondContact N-O 3.12Å; V167-N234 WeakPolarHBondContact O-CB 3.16Å; V167-N234 PolarHBondContact O-N 2.88Å
168F98.1Very high97.9Very high19 Ų1954.6 Ų54.68%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-133.9123.9173.4175.1-106.2000109.1D170 R171 L173 P228 A231 T232 V233F168-D170 VanDerWaalsContact C-N 3.32Å; F168-D170 PolarHBondContact O-N 3.25Å; F168-R171 PolarHBondContact N-O 3.18Å; F168-R171 WeakPolarHBondContact O-CB 3.42Å; F168-R171 PolarHBondContact O-N 3.49Å; F168-L173 HydrophobicContact CB-CD1 3.95Å; F168-L173 HydrophobicContact CB-CD2 3.97Å; F168-L173 HydrophobicContact CB-CG 4.18Å; F168-P228 VanDerWaalsContact CE1-CD 3.46Å; F168-P228 HydrophobicContact CE1-CG 3.98Å; F168-P228 HydrophobicContact CZ-CG 3.72Å; F168-A231 HydrophobicContact CD2-CB 4.15Å; F168-A231 HydrophobicContact CE2-CB 3.57Å; F168-A231 HydrophobicContact CZ-CB 4.07Å; F168-T232 WeakPolarHBondContact CD2-O 3.4Å; F168-V233 HydrophobicContact CD2-CG2 4.32Å
169E93.5Very high98Very high154 Ų15460.8 Ų60.872%0.7231%0.306SS*.THydrogen-bonded Turntrans45.753.8-176.9-63.2179.6168.200112.3R171E169-R171 PolarHBondContact O-N 3.02Å
170D92.1Very high98Very high161 Ų16157.9 Ų57.986%0.86129%0.289SS*.THydrogen-bonded Turntrans63.7-7.2-176.9-52.8-43.1000116.5F168F168-D170 VanDerWaalsContact C-N 3.32Å; F168-D170 PolarHBondContact O-N 3.25Å
171R97.3Very high97.9Very high120 Ų12059.7 Ų59.745%0.45330%0.3SS..EExtended strand (participates in β ladder)trans-82.5122.4174.1-170.8-179.770.8-155-1.4110.7V167 F168 E169 L173 L225 G226V167-R171 WeakPolarHBondContact CA-O 3.07Å; F168-R171 PolarHBondContact N-O 3.18Å; F168-R171 WeakPolarHBondContact O-CB 3.42Å; F168-R171 PolarHBondContact O-N 3.49Å; E169-R171 PolarHBondContact O-N 3.02Å; R171-L173 PolarHBondContact O-N 3.2Å; R171-L225 PolarHBondContact NH2-O 2.7Å; R171-G226 PolarHBondContact NH2-O 2.96Å
172V98.4Very high97.9Very high68 Ų6858.2 Ų58.241%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-68.7118.2168.2-177.30000108.9K165 A166 V167 D175K165-V172 VanDerWaalsContact CE-CG2 3.48Å; K165-V172 HydrophobicContact CG-CG1 4.26Å; A166-V172 WeakPolarHBondContact O-CA 3.19Å; V167-V172 HydrophobicContact CG2-CG2 4.41Å; V172-D175 HydrophobicContact CG1-CB 4.06Å
173L98.3Very high97.9Very high25 Ų2558.7 Ų58.713%0.13129%0.294CS..EExtended strand (participates in β ladder)trans-81.8-42.9177.2-51.7175.6000110.8A166 F168 R171 L225 V227 V233A166-L173 HydrophobicContact CB-CB 4.15Å; A166-L173 HydrophobicContact CB-CD1 4.24Å; A166-L173 PolarHBondContact O-N 3.11Å; F168-L173 HydrophobicContact CB-CD1 3.95Å; F168-L173 HydrophobicContact CB-CD2 3.97Å; F168-L173 HydrophobicContact CB-CG 4.18Å; R171-L173 PolarHBondContact O-N 3.2Å; L173-L225 HydrophobicContact CB-CB 4.43Å; L173-L225 HydrophobicContact CB-CD2 4.43Å; L173-L225 VanDerWaalsContact CD2-O 3.25Å; L173-L225 WeakPolarHBondContact CD2-O 3.38Å; L173-V227 HydrophobicContact CD1-CG2 3.44Å; L173-V227 VanDerWaalsContact CD1-CG2 3.44Å; L173-V227 HydrophobicContact CD2-CG2 4.1Å; L173-V227 HydrophobicContact CG-CG2 4.41Å; L173-V233 HydrophobicContact CD1-CG1 3.96Å
174F98.4Very high97.8Very high32 Ų3257.2 Ų57.214%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-161.3159.7170.559.3-97.9000110V164 K165 A166 K176 F178 L190 L225 F235V164-F174 HydrophobicContact CB-CE2 4.14Å; V164-F174 HydrophobicContact CG1-CE2 3.84Å; V164-F174 HydrophobicContact CG1-CZ 4.38Å; K165-F174 CarbonylContact C-O 3.48Å; K165-F174 WeakPolarHBondContact CA-O 3.47Å; A166-F174 HydrophobicContact CB-CD1 3.87Å; A166-F174 HydrophobicContact CB-CD2 4.2Å; A166-F174 HydrophobicContact CB-CE1 3.45Å; A166-F174 VanDerWaalsContact CB-CE1 3.45Å; A166-F174 HydrophobicContact CB-CE2 3.82Å; A166-F174 HydrophobicContact CB-CG 4.23Å; A166-F174 HydrophobicContact CB-CZ 3.42Å; A166-F174 VanDerWaalsContact CB-CZ 3.42Å; A166-F174 PolarHBondContact N-O 3.41Å; F174-K176 HydrophobicContact CD2-CG 4.46Å; F174-F178 HydrophobicContact CD2-CE2 4.12Å; F174-F178 AromaticContact CD2-CZ 3.89Å; F174-F178 HydrophobicContact CD2-CZ 3.89Å; F174-F178 AromaticContact CE2-CE2 3.81Å; F174-F178 HydrophobicContact CE2-CE2 3.81Å; F174-F178 AromaticContact CE2-CZ 3.58Å; F174-F178 HydrophobicContact CE2-CZ 3.58Å; F174-F178 HydrophobicContact CZ-CZ 4.31Å; F174-L190 HydrophobicContact CE2-CD2 3.83Å; F174-L190 HydrophobicContact CZ-CD2 3.54Å; F174-L225 HydrophobicContact CD1-CD1 4Å; F174-L225 HydrophobicContact CD1-CD2 4.08Å; F174-L225 HydrophobicContact CE1-CD1 3.88Å; F174-F235 HydrophobicContact CZ-CE1 4.16Å
175D98.6Very high97.8Very high75 Ų7557.2 Ų57.240%0.40129%0.288SS..EExtended strand (participates in β ladder)trans-149.997.8-179.8-160.1-5.7000108.3H163 K165 V172H163-D175 IonicContact CE1-OD1 3.71Å; H163-D175 PolarHBondContact CE1-OD1 3.43Å; H163-D175 IonicContact ND1-OD1 2.68Å; H163-D175 IonicContact NE2-OD1 2.56Å; H163-D175 PolarHBondContact NE2-OD1 2.83Å; K165-D175 HydrophobicContact CB-CB 4.41Å; K165-D175 WeakPolarHBondContact CB-OD1 3.42Å; K165-D175 VanDerWaalsContact CD-OD2 3.28Å; K165-D175 WeakPolarHBondContact CD-OD2 3.49Å; K165-D175 HydrophobicContact CG-CB 4.09Å; K165-D175 IonicContact NZ-OD2 3.66Å; V172-D175 HydrophobicContact CG1-CB 4.06Å
176K98.5Very high97.7Very high115 Ų11556.3 Ų56.350%0.529%0.289SS..EExtended strand (participates in β ladder)trans-161.6169.2-172.567.4-176.6-177.2179.20113.6V164 F174 F178V164-K176 PolarHBondContact N-O 3.06Å; V164-K176 PolarHBondContact O-N 3.29Å; V164-K176 VanDerWaalsContact O-N 3.15Å; F174-K176 HydrophobicContact CD2-CG 4.46Å; K176-F178 HydrophobicContact CD-CE1 4.49Å; K176-F178 HydrophobicContact CD-CE2 4.33Å; K176-F178 HydrophobicContact CD-CZ 4.01Å; K176-F178 HydrophobicContact CG-CD2 4.2Å; K176-F178 HydrophobicContact CG-CE1 4.41Å; K176-F178 HydrophobicContact CG-CE2 3.44Å; K176-F178 VanDerWaalsContact CG-CE2 3.44Å; K176-F178 HydrophobicContact CG-CZ 3.6Å; K176-F178 WeakPolarHBondContact O-CD2 3.34Å; K176-F178 WeakPolarHBondContact O-CE2 3.22Å
177N98.7Very high97.6Very high105 Ų10559.9 Ų59.956%0.56131%0.306SS*.EExtended strand (participates in β ladder)trans-82151.1173-62.3-38.7000112I162 H163I162-N177 CarbonylContact O-C 3.48Å; I162-N177 VanDerWaalsContact O-CA 3.3Å; I162-N177 WeakPolarHBondContact O-CA 3.37Å; H163-N177 WeakPolarHBondContact CB-OD1 3.39Å; H163-N177 PolarHBondContact CD2-OD1 3.43Å; H163-N177 VanDerWaalsContact CD2-OD1 3.25Å
178F98.7Very high97.6Very high17 Ų1760.2 Ų60.28%0.07531%0.312CS..EExtended strand (participates in β ladder)trans-140.9140.5175.3-59.5-101.7000109.9I162 V164 F174 K176 V180 A188 L190I162-F178 HydrophobicContact CD1-CB 4.43Å; I162-F178 HydrophobicContact CG1-CB 3.89Å; I162-F178 PolarHBondContact N-O 3.15Å; I162-F178 PolarHBondContact O-N 3.35Å; V164-F178 HydrophobicContact CB-CD2 3.99Å; V164-F178 HydrophobicContact CB-CE2 3.73Å; V164-F178 HydrophobicContact CG2-CD2 3.95Å; V164-F178 HydrophobicContact CG2-CE2 4.18Å; F174-F178 HydrophobicContact CD2-CE2 4.12Å; F174-F178 AromaticContact CD2-CZ 3.89Å; F174-F178 HydrophobicContact CD2-CZ 3.89Å; F174-F178 AromaticContact CE2-CE2 3.81Å; F174-F178 HydrophobicContact CE2-CE2 3.81Å; F174-F178 AromaticContact CE2-CZ 3.58Å; F174-F178 HydrophobicContact CE2-CZ 3.58Å; F174-F178 HydrophobicContact CZ-CZ 4.31Å; K176-F178 HydrophobicContact CD-CE1 4.49Å; K176-F178 HydrophobicContact CD-CE2 4.33Å; K176-F178 HydrophobicContact CD-CZ 4.01Å; K176-F178 HydrophobicContact CG-CD2 4.2Å; K176-F178 HydrophobicContact CG-CE1 4.41Å; K176-F178 HydrophobicContact CG-CE2 3.44Å; K176-F178 VanDerWaalsContact CG-CE2 3.44Å; K176-F178 HydrophobicContact CG-CZ 3.6Å; K176-F178 WeakPolarHBondContact O-CD2 3.34Å; K176-F178 WeakPolarHBondContact O-CE2 3.22Å; F178-V180 HydrophobicContact CB-CG1 3.97Å; F178-A188 HydrophobicContact CD1-CB 4Å; F178-L190 HydrophobicContact CB-CD1 4.37Å; F178-L190 HydrophobicContact CD1-CD1 3.86Å; F178-L190 HydrophobicContact CD1-CD2 4.5Å; F178-L190 HydrophobicContact CD1-CG 4.08Å; F178-L190 HydrophobicContact CD2-CD1 4.23Å; F178-L190 HydrophobicContact CE1-CD1 4.1Å; F178-L190 HydrophobicContact CE1-CD2 3.9Å; F178-L190 HydrophobicContact CE1-CG 3.84Å; F178-L190 HydrophobicContact CE2-CD1 4.49Å; F178-L190 HydrophobicContact CE2-CD2 4.14Å; F178-L190 HydrophobicContact CG-CD1 3.92Å; F178-L190 HydrophobicContact CZ-CD1 4.4Å; F178-L190 HydrophobicContact CZ-CD2 3.69Å; F178-L190 HydrophobicContact CZ-CG 4.15Å
179D98.4Very high97.4Very high131 Ų13161.7 Ų61.770%0.70133%0.333SS*.EExtended strand (participates in β ladder)trans-108.5115.4162.3-61.2-54.9000107.3V160 S161V160-D179 WeakPolarHBondContact O-CA 3.32Å; S161-D179 WeakPolarHBondContact CB-OD1 3.1Å; S161-D179 PolarHBondContact OG-OD1 3.22Å
180V98.6Very high97.7Very high10 Ų1054.5 Ų54.56%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-130.2158.9-171.4-66.70000111.2T159 V160 I162 F178 A188 L190 L198T159-V180 CarbonylContact C-O 3.51Å; T159-V180 WeakPolarHBondContact CA-O 3.46Å; V160-V180 HydrophobicContact CB-CG2 4.22Å; V160-V180 PolarHBondContact N-O 3.36Å; V160-V180 PolarHBondContact O-N 3.46Å; I162-V180 HydrophobicContact CD1-CG2 3.92Å; I162-V180 HydrophobicContact CG1-CG2 4.39Å; F178-V180 HydrophobicContact CB-CG1 3.97Å; V180-A188 HydrophobicContact CG1-CB 3.72Å; V180-L190 HydrophobicContact CG1-CD1 4.26Å; V180-L198 HydrophobicContact CG2-CD1 4.06Å
181T98.2Very high97.9Very high43 Ų4347.2 Ų47.226%0.26426%0.261SS..EExtended strand (participates in β ladder)trans-102.4127.3164.6-59.60000108.5A158 G183 E184 C185A158-T181 CarbonylContact O-C 3.58Å; A158-T181 VanDerWaalsContact O-CA 3.27Å; A158-T181 WeakPolarHBondContact O-CA 3.23Å; T181-G183 PolarHBondContact O-N 3.06Å; T181-E184 CarbonylContact O-C 3.6Å; T181-E184 WeakPolarHBondContact O-CA 3.13Å; T181-E184 PolarHBondContact O-N 3.34Å; T181-C185 PolarHBondContact O-N 3.32Å
182V98.4Very high97.9Very high0 Ų045.2 Ų45.20%026%0.257CS..THydrogen-bonded Turntrans-60.6129.7175.4-177.90000109.4A154 K155 G157 A158 V160 L198 T199A154-V182 HydrophobicContact CB-CG2 3.82Å; K155-V182 WeakPolarHBondContact O-CB 3.32Å; G157-V182 WeakPolarHBondContact CA-O 3.36Å; G157-V182 PolarHBondContact N-O 3.33Å; A158-V182 HydrophobicContact CB-CG2 4.21Å; A158-V182 PolarHBondContact O-N 3.02Å; V160-V182 HydrophobicContact CG2-CG2 3.5Å; V160-V182 VanDerWaalsContact CG2-CG2 3.5Å; V182-L198 HydrophobicContact CG2-CB 4.14Å; V182-L198 HydrophobicContact CG2-CD1 4.13Å; V182-T199 HydrophobicContact CG1-CG2 4.01Å
183G97.3Very high97.9Very high11 Ų1142 Ų4211%0.11324%0.237CC..THydrogen-bonded Turntrans95.2-6.4-169.700000113.9E156 T181 D195 L278E156-G183 WeakPolarHBondContact OE1-CA 3.44Å; T181-G183 PolarHBondContact O-N 3.06Å; G183-D195 WeakPolarHBondContact CA-OD1 3.35Å; G183-D195 PolarHBondContact N-OD1 3.16Å; G183-L278 WeakPolarHBondContact O-CD2 3.14Å
184E98Very high97.9Very high16 Ų1640.8 Ų40.88%0.07523%0.231CC..  trans-135.916.7-177-57.3-177.5-165.200112.2T181 S186 E187 D195 R266 F270 K282T181-E184 CarbonylContact O-C 3.6Å; T181-E184 WeakPolarHBondContact O-CA 3.13Å; T181-E184 PolarHBondContact O-N 3.34Å; E184-S186 PolarHBondContact O-N 2.85Å; E184-E187 HydrophobicContact CB-CG 4.22Å; E184-E187 VanDerWaalsContact O-CB 3.31Å; E184-E187 WeakPolarHBondContact O-CB 3.45Å; E184-E187 PolarHBondContact O-N 2.97Å; E184-D195 PolarHBondContact N-OD1 3.33Å; E184-R266 IonicContact OE1-NE 3.3Å; E184-R266 IonicContact OE2-CZ 2.88Å; E184-R266 IonicContact OE2-NE 2.66Å; E184-R266 PolarHBondContact OE2-NE 3.48Å; E184-R266 VanDerWaalsContact OE2-NE 3.09Å; E184-R266 IonicContact OE2-NH2 3.38Å; E184-R266 PolarHBondContact OE2-NH2 2.82Å; E184-F270 HydrophobicContact CG-CE2 4.19Å; E184-F270 HydrophobicContact CG-CZ 3.96Å; E184-F270 WeakPolarHBondContact OE2-CZ 3.4Å; E184-K282 WeakPolarHBondContact OE1-CE 3.27Å; E184-K282 IonicContact OE1-NZ 2.83Å; E184-K282 PolarHBondContact OE1-NZ 3.3Å
185C98.2Very high97.9Very high0 Ų039.6 Ų39.60%023%0.226CC..G310 helixtrans-56.9-26.9-179.6-72.40000113T181 E187 A188 G189 L190 D195T181-C185 PolarHBondContact O-N 3.32Å; C185-E187 PolarHBondContact O-N 3.45Å; C185-A188 PolarHBondContact O-N 3.36Å; C185-G189 PolarHBondContact O-N 3.35Å; C185-L190 CarbonylContact C-O 3.49Å; C185-L190 HydrophobicContact CB-CB 3.93Å; C185-L190 PolarHBondContact O-N 3.03Å; C185-L190 VanDerWaalsContact O-N 3.15Å; C185-D195 VanDerWaalsContact CB-OD1 3.24Å; C185-D195 WeakPolarHBondContact CB-OD1 3.43Å; C185-D195 WeakPolarHBondContact CB-OD2 3.07Å; C185-D195 PolarHBondContact N-OD1 3.07Å; C185-D195 PolarHBondContact SG-OD1 3.29Å
186S96.7Very high97.9Very high47 Ų4739.2 Ų39.233%0.32922%0.221SC..G310 helixtrans-59.3-24.1172.763.80000114.7E184 A188 G189 L190E184-S186 PolarHBondContact O-N 2.85Å; S186-A188 PolarHBondContact O-N 3.09Å; S186-G189 PolarHBondContact O-N 3.5Å; S186-G189 VanDerWaalsContact O-N 3.11Å; S186-L190 WeakPolarHBondContact CA-O 3.35Å; S186-L190 PolarHBondContact N-O 3.27Å
187E97.2Very high97.9Very high76 Ų7633.8 Ų33.836%0.35520%0.197SC..G310 helixtrans-65.5-27.7172.5-65.7-57.690.200112.4E184 C185 F270 K275 L278E184-E187 HydrophobicContact CB-CG 4.22Å; E184-E187 VanDerWaalsContact O-CB 3.31Å; E184-E187 WeakPolarHBondContact O-CB 3.45Å; E184-E187 PolarHBondContact O-N 2.97Å; C185-E187 PolarHBondContact O-N 3.45Å; E187-F270 HydrophobicContact CG-CE1 3.9Å; E187-F270 HydrophobicContact CG-CZ 4.19Å; E187-F270 WeakPolarHBondContact OE2-CE1 3.32Å; E187-K275 WeakPolarHBondContact OE1-CD 3.33Å; E187-K275 WeakPolarHBondContact OE1-CE 3.48Å; E187-K275 IonicContact OE1-NZ 3.67Å; E187-K275 PolarHBondContact OE1-NZ 3.09Å; E187-K275 IonicContact OE2-NZ 2.86Å; E187-K275 PolarHBondContact OE2-NZ 3.33Å; E187-L278 HydrophobicContact CG-CD1 4.26Å
188A97.1Very high97.9Very high39 Ų3928.8 Ų28.832%0.32217%0.17SC..G310 helixtrans-958.6176.100000113F178 V180 C185 S186 L190F178-A188 HydrophobicContact CD1-CB 4Å; V180-A188 HydrophobicContact CG1-CB 3.72Å; C185-A188 PolarHBondContact O-N 3.36Å; S186-A188 PolarHBondContact O-N 3.09Å; A188-L190 VanDerWaalsContact C-N 3.34Å
189G95.8Very high97.9Very high50 Ų5029.9 Ų29.952%0.51518%0.179SC..THydrogen-bonded Turntrans79.311.7-178.500000114.7C185 S186C185-G189 PolarHBondContact O-N 3.35Å; S186-G189 PolarHBondContact O-N 3.5Å; S186-G189 VanDerWaalsContact O-N 3.11Å
190L98.2Very high97.8Very high3 Ų329.7 Ų29.72%0.01617%0.168CC..  trans-91.4145.1175.8-66.5176.6000110.9I162 V164 F174 F178 V180 C185 S186 A188 I194I162-L190 HydrophobicContact CD1-CD1 4.11Å; V164-L190 HydrophobicContact CG1-CD2 4.25Å; V164-L190 HydrophobicContact CG2-CD1 4.27Å; F174-L190 HydrophobicContact CE2-CD2 3.83Å; F174-L190 HydrophobicContact CZ-CD2 3.54Å; F178-L190 HydrophobicContact CB-CD1 4.37Å; F178-L190 HydrophobicContact CD1-CD1 3.86Å; F178-L190 HydrophobicContact CD1-CD2 4.5Å; F178-L190 HydrophobicContact CD1-CG 4.08Å; F178-L190 HydrophobicContact CD2-CD1 4.23Å; F178-L190 HydrophobicContact CE1-CD1 4.1Å; F178-L190 HydrophobicContact CE1-CD2 3.9Å; F178-L190 HydrophobicContact CE1-CG 3.84Å; F178-L190 HydrophobicContact CE2-CD1 4.49Å; F178-L190 HydrophobicContact CE2-CD2 4.14Å; F178-L190 HydrophobicContact CG-CD1 3.92Å; F178-L190 HydrophobicContact CZ-CD1 4.4Å; F178-L190 HydrophobicContact CZ-CD2 3.69Å; F178-L190 HydrophobicContact CZ-CG 4.15Å; V180-L190 HydrophobicContact CG1-CD1 4.26Å; C185-L190 CarbonylContact C-O 3.49Å; C185-L190 HydrophobicContact CB-CB 3.93Å; C185-L190 PolarHBondContact O-N 3.03Å; C185-L190 VanDerWaalsContact O-N 3.15Å; S186-L190 WeakPolarHBondContact CA-O 3.35Å; S186-L190 PolarHBondContact N-O 3.27Å; A188-L190 VanDerWaalsContact C-N 3.34Å; L190-I194 HydrophobicContact CB-CB 4.48Å; L190-I194 HydrophobicContact CB-CG1 4.35Å; L190-I194 HydrophobicContact CD1-CG2 4.29Å
191P97.8Very high97.7Very high8 Ų829.2 Ų29.25%0.05217%0.165CC..  trans-75.4155.9-17832.6-36.4000112.4G193 I194 L211 W215 A216 F235P191-G193 PolarHBondContact O-N 3.02Å; P191-I194 HydrophobicContact CG-CG1 4.03Å; P191-I194 WeakPolarHBondContact O-CB 3.48Å; P191-I194 PolarHBondContact O-N 3.4Å; P191-L211 HydrophobicContact CG-CD1 3.81Å; P191-W215 WeakPolarHBondContact CB-O 3.47Å; P191-A216 WeakPolarHBondContact CB-O 3.47Å; P191-F235 HydrophobicContact CG-CE1 4.2Å; P191-F235 HydrophobicContact CG-CE2 4.28Å; P191-F235 HydrophobicContact CG-CZ 3.69Å
192E96.8Very high97.7Very high78 Ų7831.6 Ų31.636%0.36417%0.169SC..Hα-helixtrans-57-24.3-176.8-66.8178.8-160.700113.3I194 D195 K196 W215 K277E192-I194 PolarHBondContact O-N 2.85Å; E192-D195 WeakPolarHBondContact CA-OD2 3.25Å; E192-D195 WeakPolarHBondContact O-CB 2.89Å; E192-D195 PolarHBondContact O-N 3.42Å; E192-D195 VanDerWaalsContact O-N 3.16Å; E192-K196 PolarHBondContact O-N 3.41Å; E192-W215 HydrophobicContact CB-CE3 4.46Å; E192-K277 IonicContact OE1-NZ 3.56Å; E192-K277 PolarHBondContact OE1-NZ 2.95Å
193G98.4Very high97.6Very high0 Ų035.8 Ų35.80%019%0.187CC..Hα-helixtrans-63-26173.600000113.8P191 K196 A197 W215P191-G193 PolarHBondContact O-N 3.02Å; G193-K196 PolarHBondContact O-N 3.15Å; G193-A197 WeakPolarHBondContact O-CB 3.33Å; G193-A197 PolarHBondContact O-N 3.5Å; G193-W215 WeakPolarHBondContact CA-O 3.45Å; G193-W215 PolarHBondContact N-O 3.39Å
194I98.7Very high97.6Very high0 Ų037 Ų370%020%0.2CC..Hα-helixtrans-68.5-41.2172.7-59.7-59.8000110.3I162 L190 P191 E192 K196 A197 L198 L211 F235 V237I162-I194 HydrophobicContact CD1-CG2 4.41Å; L190-I194 HydrophobicContact CB-CB 4.48Å; L190-I194 HydrophobicContact CB-CG1 4.35Å; L190-I194 HydrophobicContact CD1-CG2 4.29Å; P191-I194 HydrophobicContact CG-CG1 4.03Å; P191-I194 WeakPolarHBondContact O-CB 3.48Å; P191-I194 PolarHBondContact O-N 3.4Å; E192-I194 PolarHBondContact O-N 2.85Å; I194-K196 PolarHBondContact O-N 2.82Å; I194-A197 PolarHBondContact O-N 2.65Å; I194-A197 VanDerWaalsContact O-N 3.09Å; I194-L198 HydrophobicContact CG2-CD1 4.09Å; I194-L198 HydrophobicContact CG2-CG 4.09Å; I194-L198 VanDerWaalsContact O-CG 3.31Å; I194-L198 WeakPolarHBondContact O-CG 3.11Å; I194-L198 PolarHBondContact O-N 3.45Å; I194-L211 HydrophobicContact CD1-CD1 4.19Å; I194-L211 HydrophobicContact CG1-CD1 4.41Å; I194-F235 HydrophobicContact CD1-CB 4.05Å; I194-F235 HydrophobicContact CD1-CD1 3.94Å; I194-F235 HydrophobicContact CD1-CD2 4.28Å; I194-F235 HydrophobicContact CD1-CE1 4.49Å; I194-F235 HydrophobicContact CD1-CG 3.83Å; I194-V237 HydrophobicContact CD1-CG2 3.96Å
195D98.5Very high97.6Very high7 Ų736.5 Ų36.54%0.03720%0.197CC..Hα-helixtrans-55.1-44.2173.8-62.8-71.4000110.8G183 E184 C185 E192G183-D195 WeakPolarHBondContact CA-OD1 3.35Å; G183-D195 PolarHBondContact N-OD1 3.16Å; E184-D195 PolarHBondContact N-OD1 3.33Å; C185-D195 VanDerWaalsContact CB-OD1 3.24Å; C185-D195 WeakPolarHBondContact CB-OD1 3.43Å; C185-D195 WeakPolarHBondContact CB-OD2 3.07Å; C185-D195 PolarHBondContact N-OD1 3.07Å; C185-D195 PolarHBondContact SG-OD1 3.29Å; E192-D195 WeakPolarHBondContact CA-OD2 3.25Å; E192-D195 WeakPolarHBondContact O-CB 2.89Å; E192-D195 PolarHBondContact O-N 3.42Å; E192-D195 VanDerWaalsContact O-N 3.16Å
196K98.2Very high97.6Very high68 Ų6837.4 Ų37.430%0.29620%0.203SC..Hα-helixtrans-66.7-41.6176.8-56.6-49.8173.5-1560112.4I140 E192 G193 I194 T199 W215I140-K196 HydrophobicContact CD1-CB 3.58Å; I140-K196 HydrophobicContact CD1-CG 3.92Å; E192-K196 PolarHBondContact O-N 3.41Å; G193-K196 PolarHBondContact O-N 3.15Å; I194-K196 PolarHBondContact O-N 2.82Å; K196-T199 PolarHBondContact O-N 3.1Å; K196-T199 PolarHBondContact O-OG1 3.01Å; K196-W215 HydrophobicContact CD-CZ3 4.39Å; K196-W215 HydrophobicContact CG-CE3 4.08Å; K196-W215 HydrophobicContact CG-CH2 4.28Å; K196-W215 HydrophobicContact CG-CZ3 3.77Å
197A98.4Very high97.7Very high0 Ų035.1 Ų35.10%019%0.187CC..Hα-helixtrans-62.4-43.317800000112.5I132 G193 I194 T199 R200 I201 I209I132-A197 HydrophobicContact CD1-CB 4.2Å; G193-A197 WeakPolarHBondContact O-CB 3.33Å; G193-A197 PolarHBondContact O-N 3.5Å; I194-A197 PolarHBondContact O-N 2.65Å; I194-A197 VanDerWaalsContact O-N 3.09Å; A197-T199 PolarHBondContact O-N 3.34Å; A197-R200 CarbonylContact O-C 3.46Å; A197-R200 WeakPolarHBondContact O-CA 3.39Å; A197-R200 PolarHBondContact O-N 3.2Å; A197-I201 HydrophobicContact CB-CD1 4.09Å; A197-I201 VanDerWaalsContact O-CG1 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.36Å; A197-I201 PolarHBondContact O-N 3.04Å; A197-I209 HydrophobicContact CB-CD1 3.92Å; A197-I209 HydrophobicContact CB-CG1 3.93Å; A197-I209 HydrophobicContact CB-CG2 3.97Å
198L98.6Very high97.7Very high1 Ų134 Ų341%0.00518%0.182CC..Hα-helixtrans-59.9-29.7-179.5-68.4176.6000112.9V160 I162 V180 V182 I194 R200 I201 V237V160-L198 HydrophobicContact CG1-CD2 4.41Å; I162-L198 HydrophobicContact CD1-CD1 4.22Å; I162-L198 HydrophobicContact CD1-CD2 4.23Å; I162-L198 HydrophobicContact CG2-CD2 3.74Å; V180-L198 HydrophobicContact CG2-CD1 4.06Å; V182-L198 HydrophobicContact CG2-CB 4.14Å; V182-L198 HydrophobicContact CG2-CD1 4.13Å; I194-L198 HydrophobicContact CG2-CD1 4.09Å; I194-L198 HydrophobicContact CG2-CG 4.09Å; I194-L198 VanDerWaalsContact O-CG 3.31Å; I194-L198 WeakPolarHBondContact O-CG 3.11Å; I194-L198 PolarHBondContact O-N 3.45Å; L198-R200 PolarHBondContact O-N 3.38Å; L198-R200 VanDerWaalsContact O-N 3.08Å; L198-I201 PolarHBondContact O-N 2.8Å; L198-V237 HydrophobicContact CD2-CG1 4.01Å
199T97.8Very high97.7Very high40 Ų4032.2 Ų32.225%0.24517%0.167CC..THydrogen-bonded Turntrans-70-0.217371.60000114.9T153 A154 V182 K196 A197T153-T199 PolarHBondContact OG1-O 2.97Å; A154-T199 VanDerWaalsContact O-CA 3.28Å; A154-T199 WeakPolarHBondContact O-CA 3.33Å; V182-T199 HydrophobicContact CG1-CG2 4.01Å; K196-T199 PolarHBondContact O-N 3.1Å; K196-T199 PolarHBondContact O-OG1 3.01Å; A197-T199 PolarHBondContact O-N 3.34Å
200R96.7Very high97.8Very high127 Ų12731.1 Ų31.148%0.47915%0.15SC..THydrogen-bonded Turntrans-132.42.5-177.1-59-64.5-178.4-171.4-0.6113.4I132 K142 A197 L198I132-R200 HydrophobicContact CB-CG 4.1Å; I132-R200 HydrophobicContact CD1-CB 4.18Å; I132-R200 HydrophobicContact CD1-CG 4.23Å; I132-R200 HydrophobicContact CG2-CB 4.26Å; I132-R200 HydrophobicContact CG2-CG 4.04Å; K142-R200 HydrophobicContact CD-CB 4.07Å; K142-R200 WeakPolarHBondContact CE-O 3.34Å; K142-R200 PolarHBondContact NZ-O 3.4Å; A197-R200 CarbonylContact O-C 3.46Å; A197-R200 WeakPolarHBondContact O-CA 3.39Å; A197-R200 PolarHBondContact O-N 3.2Å; L198-R200 PolarHBondContact O-N 3.38Å; L198-R200 VanDerWaalsContact O-N 3.08Å
201I97.2Very high97.9Very high0 Ų031 Ų310%015%0.149CC..  trans-109.4125179.8-63.3166.6000108.3K142 A197 L198 E205 I209 V237 T239K142-I201 HydrophobicContact CD-CG1 4.29Å; K142-I201 VanDerWaalsContact CE-CG1 3.46Å; A197-I201 HydrophobicContact CB-CD1 4.09Å; A197-I201 VanDerWaalsContact O-CG1 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.36Å; A197-I201 PolarHBondContact O-N 3.04Å; L198-I201 PolarHBondContact O-N 2.8Å; I201-E205 HydrophobicContact CG2-CB 3.73Å; I201-E205 HydrophobicContact CG2-CG 4.15Å; I201-I209 HydrophobicContact CD1-CD1 4.12Å; I201-I209 HydrophobicContact CD1-CG1 4.3Å; I201-V237 HydrophobicContact CD1-CB 3.92Å; I201-V237 HydrophobicContact CD1-CG1 3.78Å; I201-T239 VanDerWaalsContact CG2-OG1 3.24Å; I201-T239 WeakPolarHBondContact CG2-OG1 3.49Å
202R96.7Very high97.9Very high93 Ų9333.8 Ų33.835%0.35116%0.162SC..EExtended strand (participates in β ladder)trans-77.3165.8179.2-64.9177.5-180177.14111.9G150 T153 G204 E205G150-R202 WeakPolarHBondContact O-CD 3.41Å; G150-R202 PolarHBondContact O-NH1 3.21Å; T153-R202 HydrophobicContact CG2-CG 4.04Å; R202-G204 PolarHBondContact O-N 2.92Å; R202-E205 HydrophobicContact CB-CB 4.15Å; R202-E205 WeakPolarHBondContact CB-OE2 3.37Å; R202-E205 PolarHBondContact N-OE2 3.33Å; R202-E205 WeakPolarHBondContact O-CB 3.38Å; R202-E205 PolarHBondContact O-N 3.48Å; R202-E205 VanDerWaalsContact O-N 3.1Å
203K98Very high98Very high87 Ų8731.1 Ų31.138%0.37815%0.151SC..EExtended strand (participates in β ladder)trans-60.7135.4171.7-173.7-176.2169.9-145.10110.1G148 E149 E205 Y240 F242G148-K203 CarbonylContact C-O 3.51Å; G148-K203 WeakPolarHBondContact CA-O 3.43Å; E149-K203 HydrophobicContact CG-CB 4.24Å; E149-K203 HydrophobicContact CG-CD 4.4Å; E149-K203 HydrophobicContact CG-CG 4.39Å; E149-K203 PolarHBondContact N-O 2.83Å; E149-K203 VanDerWaalsContact OE1-CD 3.3Å; E149-K203 WeakPolarHBondContact OE1-CD 3.35Å; E149-K203 VanDerWaalsContact OE1-CE 3.24Å; E149-K203 WeakPolarHBondContact OE1-CE 3.38Å; E149-K203 IonicContact OE1-NZ 3.67Å; E149-K203 PolarHBondContact OE1-NZ 3.09Å; K203-E205 PolarHBondContact O-N 3.01Å; K203-Y240 WeakPolarHBondContact CG-O 3.28Å; K203-F242 HydrophobicContact CB-CE1 3.9Å
204G97.7Very high97.9Very high36 Ų3636.8 Ų36.837%0.37118%0.176SC..THydrogen-bonded Turntrans73.2-6.2-175.200000114.8R202 T239R202-G204 PolarHBondContact O-N 2.92Å; G204-T239 VanDerWaalsContact CA-O 3.25Å; G204-T239 WeakPolarHBondContact CA-O 3.5Å; G204-T239 PolarHBondContact N-O 3.42Å
205E97.6Very high97.9Very high6 Ų638 Ų383%0.02818%0.18CC..  trans-74.6139-178.6-166.7-172.9122.500110.5K142 V144 V146 I201 R202 K203 S207 T238 T239K142-E205 WeakPolarHBondContact CE-OE1 3.48Å; K142-E205 IonicContact NZ-OE1 2.91Å; K142-E205 PolarHBondContact NZ-OE1 3.09Å; K142-E205 IonicContact NZ-OE2 2.71Å; V144-E205 HydrophobicContact CG1-CG 4Å; V146-E205 WeakPolarHBondContact O-CA 3.38Å; V146-E205 WeakPolarHBondContact O-CG 3.47Å; I201-E205 HydrophobicContact CG2-CB 3.73Å; I201-E205 HydrophobicContact CG2-CG 4.15Å; R202-E205 HydrophobicContact CB-CB 4.15Å; R202-E205 WeakPolarHBondContact CB-OE2 3.37Å; R202-E205 PolarHBondContact N-OE2 3.33Å; R202-E205 WeakPolarHBondContact O-CB 3.38Å; R202-E205 PolarHBondContact O-N 3.48Å; R202-E205 VanDerWaalsContact O-N 3.1Å; K203-E205 PolarHBondContact O-N 3.01Å; E205-S207 PolarHBondContact OE1-OG 2.84Å; E205-T238 WeakPolarHBondContact O-CA 3.43Å; E205-T239 PolarHBondContact O-N 3.43Å
206T97.8Very high97.9Very high19 Ų1938.3 Ų38.312%0.11718%0.184CC..EExtended strand (participates in β ladder)trans-110.6125.1163.5-59.80000108.8Q145 V146 L236 V237 T238Q145-T206 WeakPolarHBondContact CA-O 3.33Å; Q145-T206 HydrophobicContact CB-CG2 4.37Å; Q145-T206 WeakPolarHBondContact CB-O 3.44Å; Q145-T206 PolarHBondContact N-O 3.33Å; V146-T206 PolarHBondContact N-O 3.45Å; V146-T206 PolarHBondContact O-N 2.84Å; T206-L236 HydrophobicContact CG2-CD1 3.63Å; T206-L236 HydrophobicContact CG2-CD2 4.16Å; T206-L236 HydrophobicContact CG2-CG 3.69Å; T206-V237 CarbonylContact C-O 3.53Å; T206-V237 WeakPolarHBondContact CA-O 3.44Å; T206-T238 WeakPolarHBondContact CG2-OG1 3.41Å; T206-T238 WeakPolarHBondContact OG1-CG2 3.21Å; T206-T238 PolarHBondContact OG1-OG1 2.95Å
207S97.6Very high97.8Very high0 Ų036.6 Ų36.60%018%0.176CC..EExtended strand (participates in β ladder)trans-129.9136.1-177.6-94.70000111.7K142 T143 V144 E205 V237K142-S207 WeakPolarHBondContact CE-OG 3.47Å; T143-S207 CarbonylContact O-C 3.55Å; T143-S207 WeakPolarHBondContact O-CA 3.1Å; V144-S207 WeakPolarHBondContact CA-OG 3.5Å; E205-S207 PolarHBondContact OE1-OG 2.84Å; S207-V237 PolarHBondContact N-O 3.36Å; S207-V237 PolarHBondContact O-N 3.11Å
208H97.3Very high97.7Very high53 Ų5337.7 Ų37.725%0.24519%0.187CC..EExtended strand (participates in β ladder)trans-82.4121.6167.4-179.5-136.5000109.2K142 T143 Q145 N234 F235 L236K142-H208 CarbonylContact C-O 3.45Å; K142-H208 WeakPolarHBondContact CA-O 2.84Å; T143-H208 PolarHBondContact N-O 3.19Å; T143-H208 PolarHBondContact O-N 3.4Å; Q145-H208 HydrophobicContact CG-CB 4.07Å; H208-N234 WeakPolarHBondContact NE2-CB 3.26Å; H208-N234 PolarHBondContact NE2-OD1 3.49Å; H208-F235 CarbonylContact C-O 3.6Å; H208-F235 WeakPolarHBondContact CA-O 3.24Å; H208-F235 PolarHBondContact CD2-O 3.46Å; H208-L236 HydrophobicContact CB-CD1 4.29Å
209I98.4Very high97.7Very high0 Ų045.2 Ų45.20%022%0.222CC..EExtended strand (participates in β ladder)trans-117.2121.1-177.1-52.4-59000108.7I140 L141 K142 A197 I201 L211 N234 F235 V237I140-I209 HydrophobicContact CG2-CG2 4.17Å; L141-I209 CarbonylContact O-C 3.52Å; L141-I209 VanDerWaalsContact O-CA 3.31Å; L141-I209 WeakPolarHBondContact O-CA 3.4Å; K142-I209 HydrophobicContact CB-CD1 3.74Å; K142-I209 HydrophobicContact CD-CD1 4.05Å; K142-I209 HydrophobicContact CG-CD1 3.64Å; A197-I209 HydrophobicContact CB-CD1 3.92Å; A197-I209 HydrophobicContact CB-CG1 3.93Å; A197-I209 HydrophobicContact CB-CG2 3.97Å; I201-I209 HydrophobicContact CD1-CD1 4.12Å; I201-I209 HydrophobicContact CD1-CG1 4.3Å; I209-L211 HydrophobicContact CG2-CD2 3.55Å; I209-L211 HydrophobicContact CG2-CG 3.98Å; I209-N234 CarbonylContact O-C 3.57Å; I209-F235 HydrophobicContact CB-CB 4.31Å; I209-F235 PolarHBondContact N-O 3.43Å; I209-F235 PolarHBondContact O-N 3Å; I209-V237 HydrophobicContact CG1-CB 4.47Å; I209-V237 HydrophobicContact CG1-CG2 4.01Å
210V98.1Very high97.6Very high28 Ų2852.4 Ų52.417%0.1725%0.25CS..EExtended strand (participates in β ladder)trans-103.7116.2175-171.80000108.3I140 L141 T232 N234I140-V210 WeakPolarHBondContact CA-O 3.35Å; L141-V210 HydrophobicContact CB-CB 4.22Å; L141-V210 PolarHBondContact N-O 2.87Å; L141-V210 PolarHBondContact O-N 2.97Å; V210-T232 HydrophobicContact CG1-CG2 3.51Å; V210-N234 WeakPolarHBondContact CG2-OD1 3.48Å
211L98.7Very high97.6Very high0 Ų047 Ų470%023%0.234CC..EExtended strand (participates in β ladder)trans-106120.3-178.8-61-173.4000110.4I140 P191 I194 I209 W215 A216 T232 V233 F235I140-L211 HydrophobicContact CB-CD2 4.28Å; I140-L211 HydrophobicContact CG1-CD2 4.11Å; I140-L211 HydrophobicContact CG2-CD2 3.65Å; P191-L211 HydrophobicContact CG-CD1 3.81Å; I194-L211 HydrophobicContact CD1-CD1 4.19Å; I194-L211 HydrophobicContact CG1-CD1 4.41Å; I209-L211 HydrophobicContact CG2-CD2 3.55Å; I209-L211 HydrophobicContact CG2-CG 3.98Å; L211-W215 HydrophobicContact CB-CB 4.47Å; L211-W215 HydrophobicContact CD2-CB 4.23Å; L211-A216 HydrophobicContact CB-CB 3.85Å; L211-T232 WeakPolarHBondContact O-CA 3.47Å; L211-T232 WeakPolarHBondContact O-CG2 3.36Å; L211-V233 PolarHBondContact N-O 3.21Å; L211-V233 PolarHBondContact O-N 3Å; L211-F235 HydrophobicContact CB-CD2 4.47Å; L211-F235 HydrophobicContact CB-CE2 4.16Å; L211-F235 HydrophobicContact CD1-CD2 3.77Å; L211-F235 HydrophobicContact CD1-CE2 3.52Å; L211-F235 HydrophobicContact CD1-CZ 4.27Å; L211-F235 HydrophobicContact CG-CD2 3.9Å; L211-F235 HydrophobicContact CG-CE2 3.91Å
212Q98.5Very high97.6Very high66 Ų6648.8 Ų48.831%0.30824%0.243SC..  trans-69.6161167.2-67.7-58.2-2700110.7S139 K214 W215 A216 T232S139-Q212 WeakPolarHBondContact O-CB 3.44Å; S139-Q212 PolarHBondContact O-N 2.94Å; Q212-K214 VanDerWaalsContact C-N 3.25Å; Q212-K214 PolarHBondContact O-N 3.15Å; Q212-W215 PolarHBondContact O-N 2.79Å; Q212-A216 PolarHBondContact O-N 2.89Å; Q212-T232 PolarHBondContact OE1-OG1 3.35Å
213P98.3Very high97.6Very high22 Ų2249 Ų4914%0.14327%0.266CS..G310 helixtrans-49.5-41.9-171.9-33.337.8000115.1W215 A216 G218 N230P213-W215 PolarHBondContact O-N 2.83Å; P213-W215 VanDerWaalsContact O-N 3.11Å; P213-A216 CarbonylContact O-C 3.59Å; P213-A216 PolarHBondContact O-N 3.05Å; P213-A216 VanDerWaalsContact O-N 3.11Å; P213-G218 WeakPolarHBondContact O-CA 3.14Å; P213-G218 PolarHBondContact O-N 3.1Å; P213-N230 HydrophobicContact CB-CB 4.47Å; P213-N230 HydrophobicContact CG-CB 4.18Å; P213-N230 WeakPolarHBondContact CG-O 3.5Å
214K97.1Very high97.6Very high120 Ų12053.8 Ų53.852%0.52229%0.289SS..G310 helixtrans-51.1-34176.8177-179.6168.5-172.80113.3D135 D137 Q212D135-K214 IonicContact OD2-NZ 3.54Å; D135-K214 PolarHBondContact OD2-NZ 3.33Å; D137-K214 IonicContact OD2-NZ 3.85Å; Q212-K214 VanDerWaalsContact C-N 3.25Å; Q212-K214 PolarHBondContact O-N 3.15Å
215W98.3Very high97.5Very high24 Ų2453.9 Ų53.99%0.09128%0.281CS..G310 helixtrans-108.4-7.1-178.7-63.1109.6000114P134 S139 I140 P191 E192 G193 K196 L211 Q212 P213P134-W215 VanDerWaalsContact CD-CZ2 3.48Å; P134-W215 HydrophobicContact CG-CH2 3.74Å; P134-W215 HydrophobicContact CG-CZ2 3.69Å; S139-W215 PolarHBondContact OG-NE1 3.49Å; I140-W215 HydrophobicContact CD1-CB 4.19Å; I140-W215 HydrophobicContact CD1-CD2 3.63Å; I140-W215 HydrophobicContact CD1-CE3 4.11Å; I140-W215 HydrophobicContact CD1-CG 3.65Å; I140-W215 HydrophobicContact CG1-CB 3.99Å; I140-W215 HydrophobicContact CG1-CD2 4.04Å; I140-W215 HydrophobicContact CG1-CG 3.54Å; P191-W215 WeakPolarHBondContact CB-O 3.47Å; E192-W215 HydrophobicContact CB-CE3 4.46Å; G193-W215 WeakPolarHBondContact CA-O 3.45Å; G193-W215 PolarHBondContact N-O 3.39Å; K196-W215 HydrophobicContact CD-CZ3 4.39Å; K196-W215 HydrophobicContact CG-CE3 4.08Å; K196-W215 HydrophobicContact CG-CH2 4.28Å; K196-W215 HydrophobicContact CG-CZ3 3.77Å; L211-W215 HydrophobicContact CB-CB 4.47Å; L211-W215 HydrophobicContact CD2-CB 4.23Å; Q212-W215 PolarHBondContact O-N 2.79Å; P213-W215 PolarHBondContact O-N 2.83Å; P213-W215 VanDerWaalsContact O-N 3.11Å
216A98.1Very high97.5Very high14 Ų1455.4 Ų55.412%0.11630%0.298CS..THydrogen-bonded Turntrans-99.7-113.517500000110.3P191 L211 Q212 P213 V233P191-A216 WeakPolarHBondContact CB-O 3.47Å; L211-A216 HydrophobicContact CB-CB 3.85Å; Q212-A216 PolarHBondContact O-N 2.89Å; P213-A216 CarbonylContact O-C 3.59Å; P213-A216 PolarHBondContact O-N 3.05Å; P213-A216 VanDerWaalsContact O-N 3.11Å; A216-V233 HydrophobicContact CB-CB 4.37Å; A216-V233 HydrophobicContact CB-CG2 4.3Å
217Y97.4Very high97.5Very high33 Ų3354.7 Ų54.713%0.12929%0.293CS..THydrogen-bonded Turntrans-109.77.3-175.4-54.9-74.6000114G221 N222 L225 V227 V233 F235Y217-G221 PolarHBondContact O-N 3.16Å; Y217-G221 VanDerWaalsContact O-N 3.09Å; Y217-N222 HydrophobicContact CD1-CB 3.66Å; Y217-N222 HydrophobicContact CD2-CB 4.29Å; Y217-N222 HydrophobicContact CE1-CB 4.08Å; Y217-N222 WeakPolarHBondContact CE1-ND2 3.4Å; Y217-N222 HydrophobicContact CG-CB 3.77Å; Y217-L225 HydrophobicContact CE1-CD1 4.29Å; Y217-L225 WeakPolarHBondContact OH-CD1 3.33Å; Y217-V227 HydrophobicContact CD2-CB 4.23Å; Y217-V227 HydrophobicContact CD2-CG1 3.83Å; Y217-V227 HydrophobicContact CD2-CG2 4.24Å; Y217-V227 HydrophobicContact CE2-CG2 4.17Å; Y217-V233 HydrophobicContact CD2-CG2 3.92Å; Y217-V233 HydrophobicContact CE2-CB 4.47Å; Y217-V233 HydrophobicContact CE2-CG1 4.31Å; Y217-V233 HydrophobicContact CE2-CG2 4.03Å; Y217-F235 HydrophobicContact CE2-CZ 4.24Å
218G96.6Very high97.5Very high22 Ų2257.5 Ų57.523%0.22731%0.312CS..G310 helixtrans60.6-159.2171.500000115.5P213 K220 G221 N230P213-G218 WeakPolarHBondContact O-CA 3.14Å; P213-G218 PolarHBondContact O-N 3.1Å; G218-K220 PolarHBondContact O-N 3.37Å; G218-G221 PolarHBondContact O-N 3.16Å; G218-N230 PolarHBondContact O-N 2.97Å
219E97.1Very high97.6Very high160 Ų16058.8 Ų58.875%0.74833%0.325SS*.G310 helixtrans-64.7-17.8-179.7-64.6177.5178.400113.9P229 N230E219-P229 WeakPolarHBondContact O-CB 3.34Å; E219-N230 WeakPolarHBondContact CA-OD1 3.43Å; E219-N230 WeakPolarHBondContact CG-OD1 3.31Å
220K96.4Very high97.5Very high191 Ų19163.4 Ų63.483%0.8335%0.349SS*.G310 helixtrans-89.1-23.7178.4-65.7-175.1-179-179.90112.5G218G218-K220 PolarHBondContact O-N 3.37Å
221G97.4Very high97.5Very high14 Ų1462.5 Ų62.514%0.14435%0.345CS..  trans65-159.5-168.100000111.8Y217 G218 V227 P228Y217-G221 PolarHBondContact O-N 3.16Å; Y217-G221 VanDerWaalsContact O-N 3.09Å; G218-G221 PolarHBondContact O-N 3.16Å; G221-V227 CarbonylContact C-O 3.53Å; G221-V227 WeakPolarHBondContact CA-O 3.32Å; G221-P228 WeakPolarHBondContact CA-O 3.34Å
222N97.4Very high97.5Very high36 Ų3665 Ų6519%0.19336%0.36CS..BIsolated β-bridgetrans-136.6100.6174.9-175.2-33.9000109.3Y217 E224 L225 G226 V227Y217-N222 HydrophobicContact CD1-CB 3.66Å; Y217-N222 HydrophobicContact CD2-CB 4.29Å; Y217-N222 HydrophobicContact CE1-CB 4.08Å; Y217-N222 WeakPolarHBondContact CE1-ND2 3.4Å; Y217-N222 HydrophobicContact CG-CB 3.77Å; N222-E224 VanDerWaalsContact C-N 3.31Å; N222-E224 PolarHBondContact O-N 3.09Å; N222-E224 PolarHBondContact OD1-N 3.35Å; N222-E224 VanDerWaalsContact OD1-N 3.16Å; N222-L225 HydrophobicContact CB-CB 4.31Å; N222-L225 WeakPolarHBondContact ND2-CD1 3.48Å; N222-L225 PolarHBondContact O-N 2.84Å; N222-L225 PolarHBondContact OD1-N 3.36Å; N222-L225 VanDerWaalsContact OD1-N 3.1Å; N222-G226 PolarHBondContact O-N 3.42Å; N222-V227 CarbonylContact C-O 3.5Å; N222-V227 HydrophobicContact CB-CB 4.13Å; N222-V227 PolarHBondContact N-O 2.74Å; N222-V227 PolarHBondContact O-N 3.47Å
223A96.6Very high97.5Very high99 Ų9961.8 Ų61.882%0.81835%0.346SS*.THydrogen-bonded Turntrans-62.7-35.8-176.200000113.1G226A223-G226 PolarHBondContact O-N 3.24Å; A223-G226 VanDerWaalsContact O-N 3.15Å
224E96.5Very high97.6Very high186 Ų18663.1 Ų63.187%0.86935%0.351SS*.THydrogen-bonded Turntrans-66-39.6180-174.1177.6179.700111.6N222 G226N222-E224 VanDerWaalsContact C-N 3.31Å; N222-E224 PolarHBondContact O-N 3.09Å; N222-E224 PolarHBondContact OD1-N 3.35Å; N222-E224 VanDerWaalsContact OD1-N 3.16Å; E224-G226 VanDerWaalsContact C-N 3.28Å
225L96.9Very high97.6Very high39 Ų3957.4 Ų57.420%0.20433%0.327CS..THydrogen-bonded Turntrans-85.3-0.3175.2-61.2-179.5000113.3R171 L173 F174 Y217 N222 V227R171-L225 PolarHBondContact NH2-O 2.7Å; L173-L225 HydrophobicContact CB-CB 4.43Å; L173-L225 HydrophobicContact CB-CD2 4.43Å; L173-L225 VanDerWaalsContact CD2-O 3.25Å; L173-L225 WeakPolarHBondContact CD2-O 3.38Å; F174-L225 HydrophobicContact CD1-CD1 4Å; F174-L225 HydrophobicContact CD1-CD2 4.08Å; F174-L225 HydrophobicContact CE1-CD1 3.88Å; Y217-L225 HydrophobicContact CE1-CD1 4.29Å; Y217-L225 WeakPolarHBondContact OH-CD1 3.33Å; N222-L225 HydrophobicContact CB-CB 4.31Å; N222-L225 WeakPolarHBondContact ND2-CD1 3.48Å; N222-L225 PolarHBondContact O-N 2.84Å; N222-L225 PolarHBondContact OD1-N 3.36Å; N222-L225 VanDerWaalsContact OD1-N 3.1Å; L225-V227 HydrophobicContact CB-CG2 3.96Å; L225-V227 PolarHBondContact O-N 2.84Å
226G96.8Very high97.6Very high37 Ų3759.3 Ų59.338%0.38134%0.338SS..THydrogen-bonded Turntrans62.229.1-174.700000113.8R171 N222 A223 E224R171-G226 PolarHBondContact NH2-O 2.96Å; N222-G226 PolarHBondContact O-N 3.42Å; A223-G226 PolarHBondContact O-N 3.24Å; A223-G226 VanDerWaalsContact O-N 3.15Å; E224-G226 VanDerWaalsContact C-N 3.28Å
227V98.1Very high97.7Very high4 Ų458.6 Ų58.62%0.02433%0.332CS..BIsolated β-bridgetrans-90.2121.1176.4179.90000109L173 Y217 G221 N222 L225 A231 V233L173-V227 HydrophobicContact CD1-CG2 3.44Å; L173-V227 VanDerWaalsContact CD1-CG2 3.44Å; L173-V227 HydrophobicContact CD2-CG2 4.1Å; L173-V227 HydrophobicContact CG-CG2 4.41Å; Y217-V227 HydrophobicContact CD2-CB 4.23Å; Y217-V227 HydrophobicContact CD2-CG1 3.83Å; Y217-V227 HydrophobicContact CD2-CG2 4.24Å; Y217-V227 HydrophobicContact CE2-CG2 4.17Å; G221-V227 CarbonylContact C-O 3.53Å; G221-V227 WeakPolarHBondContact CA-O 3.32Å; N222-V227 CarbonylContact C-O 3.5Å; N222-V227 HydrophobicContact CB-CB 4.13Å; N222-V227 PolarHBondContact N-O 2.74Å; N222-V227 PolarHBondContact O-N 3.47Å; L225-V227 HydrophobicContact CB-CG2 3.96Å; L225-V227 PolarHBondContact O-N 2.84Å; V227-A231 HydrophobicContact CG1-CB 3.52Å; V227-V233 HydrophobicContact CG1-CG2 3.84Å
228P98Very high97.7Very high59 Ų5958 Ų5838%0.38333%0.332SS..  trans-73.7163.3-178.328.6-31.7000112.6F168 G221 N230 A231F168-P228 VanDerWaalsContact CE1-CD 3.46Å; F168-P228 HydrophobicContact CE1-CG 3.98Å; F168-P228 HydrophobicContact CZ-CG 3.72Å; G221-P228 WeakPolarHBondContact CA-O 3.34Å; P228-N230 PolarHBondContact O-N 3.27Å; P228-A231 HydrophobicContact CG-CB 4.12Å; P228-A231 WeakPolarHBondContact O-CB 3.48Å; P228-A231 PolarHBondContact O-N 2.83Å
229P98.4Very high97.8Very high80 Ų8057 Ų5752%0.51932%0.322SS..THydrogen-bonded Turntrans-42.7135.9165.1-36.842000113.5E219 A231E219-P229 WeakPolarHBondContact O-CB 3.34Å; P229-A231 PolarHBondContact O-N 3.39Å
230N98Very high97.9Very high97 Ų9754.6 Ų54.652%0.51931%0.306SS..THydrogen-bonded Turntrans59.426.7173.5-57.9-52.7000115P213 G218 E219 P228P213-N230 HydrophobicContact CB-CB 4.47Å; P213-N230 HydrophobicContact CG-CB 4.18Å; P213-N230 WeakPolarHBondContact CG-O 3.5Å; G218-N230 PolarHBondContact O-N 2.97Å; E219-N230 WeakPolarHBondContact CA-OD1 3.43Å; E219-N230 WeakPolarHBondContact CG-OD1 3.31Å; P228-N230 PolarHBondContact O-N 3.27Å
231A98.1Very high97.9Very high10 Ų1048.1 Ų48.18%0.08329%0.285CS..  trans-76.3135.8173.500000113F168 V227 P228 P229 V233F168-A231 HydrophobicContact CD2-CB 4.15Å; F168-A231 HydrophobicContact CE2-CB 3.57Å; F168-A231 HydrophobicContact CZ-CB 4.07Å; V227-A231 HydrophobicContact CG1-CB 3.52Å; P228-A231 HydrophobicContact CG-CB 4.12Å; P228-A231 WeakPolarHBondContact O-CB 3.48Å; P228-A231 PolarHBondContact O-N 2.83Å; P229-A231 PolarHBondContact O-N 3.39Å; A231-V233 HydrophobicContact CB-CG2 4.35Å
232T98.5Very high98Very high51 Ų5149.3 Ų49.331%0.31329%0.287SS..  trans-76.1133.6159.3-510000108.7F168 V210 L211 Q212F168-T232 WeakPolarHBondContact CD2-O 3.4Å; V210-T232 HydrophobicContact CG1-CG2 3.51Å; L211-T232 WeakPolarHBondContact O-CA 3.47Å; L211-T232 WeakPolarHBondContact O-CG2 3.36Å; Q212-T232 PolarHBondContact OE1-OG1 3.35Å
233V98.6Very high98Very high0 Ų054.5 Ų54.50%031%0.31CS..EExtended strand (participates in β ladder)trans-126.5139.8-178.3-174.20000110.5F168 L173 L211 A216 Y217 V227 A231 F235F168-V233 HydrophobicContact CD2-CG2 4.32Å; L173-V233 HydrophobicContact CD1-CG1 3.96Å; L211-V233 PolarHBondContact N-O 3.21Å; L211-V233 PolarHBondContact O-N 3Å; A216-V233 HydrophobicContact CB-CB 4.37Å; A216-V233 HydrophobicContact CB-CG2 4.3Å; Y217-V233 HydrophobicContact CD2-CG2 3.92Å; Y217-V233 HydrophobicContact CE2-CB 4.47Å; Y217-V233 HydrophobicContact CE2-CG1 4.31Å; Y217-V233 HydrophobicContact CE2-CG2 4.03Å; V227-V233 HydrophobicContact CG1-CG2 3.84Å; A231-V233 HydrophobicContact CB-CG2 4.35Å; V233-F235 HydrophobicContact CB-CE2 3.68Å; V233-F235 HydrophobicContact CB-CZ 4.08Å; V233-F235 HydrophobicContact CG1-CD2 4.3Å; V233-F235 HydrophobicContact CG1-CE1 4.4Å; V233-F235 HydrophobicContact CG1-CE2 3.53Å; V233-F235 HydrophobicContact CG1-CZ 3.59Å
234N98.5Very high98Very high50 Ų5051.4 Ų51.427%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-99.5140.2-179-61.8-75.2000110.1A166 V167 H208 I209 V210A166-N234 CarbonylContact C-O 3.55Å; A166-N234 WeakPolarHBondContact CA-O 3.3Å; V167-N234 HydrophobicContact CB-CB 4.48Å; V167-N234 PolarHBondContact N-O 3.12Å; V167-N234 WeakPolarHBondContact O-CB 3.16Å; V167-N234 PolarHBondContact O-N 2.88Å; H208-N234 WeakPolarHBondContact NE2-CB 3.26Å; H208-N234 PolarHBondContact NE2-OD1 3.49Å; I209-N234 CarbonylContact O-C 3.57Å; V210-N234 WeakPolarHBondContact CG2-OD1 3.48Å
235F98.7Very high97.8Very high0 Ų045.2 Ų45.20%026%0.255CS..EExtended strand (participates in β ladder)trans-132.9130.8178.6-61.3-97000109.5V164 K165 A166 F174 P191 I194 H208 I209 L211 Y217 V233 V237V164-F235 HydrophobicContact CG1-CB 4.48Å; V164-F235 HydrophobicContact CG1-CD1 3.83Å; K165-F235 CarbonylContact O-C 3.58Å; K165-F235 VanDerWaalsContact O-CA 3.29Å; K165-F235 WeakPolarHBondContact O-CA 3.28Å; A166-F235 HydrophobicContact CB-CD1 3.63Å; A166-F235 HydrophobicContact CB-CE1 3.5Å; A166-F235 HydrophobicContact CB-CZ 4.38Å; F174-F235 HydrophobicContact CZ-CE1 4.16Å; P191-F235 HydrophobicContact CG-CE1 4.2Å; P191-F235 HydrophobicContact CG-CE2 4.28Å; P191-F235 HydrophobicContact CG-CZ 3.69Å; I194-F235 HydrophobicContact CD1-CB 4.05Å; I194-F235 HydrophobicContact CD1-CD1 3.94Å; I194-F235 HydrophobicContact CD1-CD2 4.28Å; I194-F235 HydrophobicContact CD1-CE1 4.49Å; I194-F235 HydrophobicContact CD1-CG 3.83Å; H208-F235 CarbonylContact C-O 3.6Å; H208-F235 WeakPolarHBondContact CA-O 3.24Å; H208-F235 PolarHBondContact CD2-O 3.46Å; I209-F235 HydrophobicContact CB-CB 4.31Å; I209-F235 PolarHBondContact N-O 3.43Å; I209-F235 PolarHBondContact O-N 3Å; L211-F235 HydrophobicContact CB-CD2 4.47Å; L211-F235 HydrophobicContact CB-CE2 4.16Å; L211-F235 HydrophobicContact CD1-CD2 3.77Å; L211-F235 HydrophobicContact CD1-CE2 3.52Å; L211-F235 HydrophobicContact CD1-CZ 4.27Å; L211-F235 HydrophobicContact CG-CD2 3.9Å; L211-F235 HydrophobicContact CG-CE2 3.91Å; Y217-F235 HydrophobicContact CE2-CZ 4.24Å; V233-F235 HydrophobicContact CB-CE2 3.68Å; V233-F235 HydrophobicContact CB-CZ 4.08Å; V233-F235 HydrophobicContact CG1-CD2 4.3Å; V233-F235 HydrophobicContact CG1-CE1 4.4Å; V233-F235 HydrophobicContact CG1-CE2 3.53Å; V233-F235 HydrophobicContact CG1-CZ 3.59Å; F235-V237 HydrophobicContact CB-CG2 4.03Å
236L98.4Very high97.5Very high63 Ų6350.1 Ų50.133%0.3328%0.275SS..EExtended strand (participates in β ladder)trans-97.3114.2163.1-167.269.1000107.3Q145 V164 K165 T206 H208Q145-L236 HydrophobicContact CG-CD1 3.94Å; V164-L236 WeakPolarHBondContact CA-O 3.39Å; K165-L236 HydrophobicContact CB-CB 4.16Å; K165-L236 PolarHBondContact N-O 3.49Å; K165-L236 PolarHBondContact O-N 2.85Å; T206-L236 HydrophobicContact CG2-CD1 3.63Å; T206-L236 HydrophobicContact CG2-CD2 4.16Å; T206-L236 HydrophobicContact CG2-CG 3.69Å; H208-L236 HydrophobicContact CB-CD1 4.29Å
237V98.8Very high97.2Very high0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-113.8119-175.4-177.20000108.7H163 V164 I194 L198 I201 T206 S207 I209 F235H163-V237 WeakPolarHBondContact O-CA 3.46Å; V164-V237 HydrophobicContact CG1-CG2 4.33Å; V164-V237 HydrophobicContact CG2-CG1 4.39Å; V164-V237 HydrophobicContact CG2-CG2 4.44Å; I194-V237 HydrophobicContact CD1-CG2 3.96Å; L198-V237 HydrophobicContact CD2-CG1 4.01Å; I201-V237 HydrophobicContact CD1-CB 3.92Å; I201-V237 HydrophobicContact CD1-CG1 3.78Å; T206-V237 CarbonylContact C-O 3.53Å; T206-V237 WeakPolarHBondContact CA-O 3.44Å; S207-V237 PolarHBondContact N-O 3.36Å; S207-V237 PolarHBondContact O-N 3.11Å; I209-V237 HydrophobicContact CG1-CB 4.47Å; I209-V237 HydrophobicContact CG1-CG2 4.01Å; F235-V237 HydrophobicContact CB-CG2 4.03Å
238T98.7Very high96.6Very high20 Ų2053.5 Ų53.512%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-107.6121.5171.8-56.60000108.8I162 H163 E205 T206 Y240I162-T238 CarbonylContact C-O 3.5Å; I162-T238 WeakPolarHBondContact CA-O 3.3Å; I162-T238 WeakPolarHBondContact CB-O 3.34Å; H163-T238 PolarHBondContact N-O 3.41Å; H163-T238 PolarHBondContact O-N 2.81Å; E205-T238 WeakPolarHBondContact O-CA 3.43Å; T206-T238 WeakPolarHBondContact CG2-OG1 3.41Å; T206-T238 WeakPolarHBondContact OG1-CG2 3.21Å; T206-T238 PolarHBondContact OG1-OG1 2.95Å; T238-Y240 HydrophobicContact CG2-CD1 3.96Å; T238-Y240 HydrophobicContact CG2-CE1 3.55Å
239T98.4Very high95.9Very high1 Ų160.9 Ų60.91%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-96.1116.4176-62.30000109.8V160 I162 I201 G204 E205 F242V160-T239 HydrophobicContact CG1-CG2 3.9Å; I162-T239 HydrophobicContact CG2-CG2 4.42Å; I201-T239 VanDerWaalsContact CG2-OG1 3.24Å; I201-T239 WeakPolarHBondContact CG2-OG1 3.49Å; G204-T239 VanDerWaalsContact CA-O 3.25Å; G204-T239 WeakPolarHBondContact CA-O 3.5Å; G204-T239 PolarHBondContact N-O 3.42Å; E205-T239 PolarHBondContact O-N 3.43Å; T239-F242 HydrophobicContact CG2-CD1 3.93Å
240Y98.2Very high95.5Very high109 Ų10960.2 Ų60.243%0.42730%0.298SS..EExtended strand (participates in β ladder)trans-85.6-46.7179.1-60.3-53.1000112.2S161 H163 K203 T238S161-Y240 PolarHBondContact O-N 3.43Å; H163-Y240 HydrophobicContact CB-CE2 3.66Å; H163-Y240 VanDerWaalsContact CB-OH 3.23Å; H163-Y240 WeakPolarHBondContact CB-OH 3.35Å; K203-Y240 WeakPolarHBondContact CG-O 3.28Å; T238-Y240 HydrophobicContact CG2-CD1 3.96Å; T238-Y240 HydrophobicContact CG2-CE1 3.55Å
241S97.8Very high95.1Very high55 Ų5557 Ų5739%0.38528%0.28SS..EExtended strand (participates in β ladder)trans-156.5157.5-179.259.30000110.6V160 S161V160-S241 WeakPolarHBondContact CA-O 3.32Å; V160-S241 WeakPolarHBondContact CG1-O 3.31Å; S161-S241 PolarHBondContact N-O 2.91Å; S161-S241 PolarHBondContact O-N 2.67Å
242F98.1Very high94.9Very high40 Ų4058.7 Ų58.718%0.17529%0.291CS..EExtended strand (participates in β ladder)trans-146.5152.116754.2-95.7000110.6E152 T153 A154 T159 V160 K203 T239E152-F242 HydrophobicContact CB-CE2 4.28Å; E152-F242 HydrophobicContact CB-CZ 4.02Å; T153-F242 VanDerWaalsContact C-CZ 3.49Å; T153-F242 WeakPolarHBondContact O-CE2 3.43Å; A154-F242 HydrophobicContact CB-CB 4.02Å; A154-F242 HydrophobicContact CB-CD1 4.24Å; A154-F242 HydrophobicContact CB-CD2 4.34Å; A154-F242 HydrophobicContact CB-CG 3.95Å; T159-F242 CarbonylContact O-C 3.6Å; T159-F242 WeakPolarHBondContact O-CA 3.45Å; T159-F242 WeakPolarHBondContact O-CB 3.31Å; V160-F242 HydrophobicContact CB-CB 4.29Å; V160-F242 HydrophobicContact CG1-CB 4.1Å; V160-F242 HydrophobicContact CG2-CB 3.88Å; K203-F242 HydrophobicContact CB-CE1 3.9Å; T239-F242 HydrophobicContact CG2-CD1 3.93Å
243E97.8Very high94.5Very high145 Ų14557.7 Ų57.768%0.67828%0.284SS*.EExtended strand (participates in β ladder)trans-117.5112.8167.6-173.8179179.400108.2A158 T159A158-E243 CarbonylContact C-O 3.42Å; A158-E243 WeakPolarHBondContact CA-O 3.35Å; A158-E243 WeakPolarHBondContact CB-O 3.22Å; T159-E243 PolarHBondContact N-O 3.18Å; T159-E243 PolarHBondContact O-N 2.86Å
244N96.9Very high94.3Very high34 Ų3460.9 Ų60.918%0.18230%0.299CS..PPolyproline II helixtrans-73.5145.5176.6-78.1-34000110.4T153 A154 K155 A158T153-N244 PolarHBondContact O-ND2 2.94Å; T153-N244 VanDerWaalsContact O-ND2 3.09Å; A154-N244 WeakPolarHBondContact CA-OD1 3.33Å; K155-N244 PolarHBondContact N-OD1 3.05Å; A158-N244 VanDerWaalsContact CB-OD1 3.3Å; A158-N244 WeakPolarHBondContact CB-OD1 3.42Å
245P92.8Very high94.1Very high56 Ų5663 Ų6336%0.36431%0.307SS..PPolyproline II helixtrans-59145.217127.3-34.3000109.4E156 E247E156-P245 WeakPolarHBondContact O-CG 3.45Å; P245-E247 PolarHBondContact O-N 3.45Å
246K91.1Very high93.8Very high142 Ų14265.3 Ų65.362%0.61732%0.316SS*.PPolyproline II helixtrans-56.8138.1172.7-75.2-177.8-177.2-177.30109.4F248 M251K246-F248 PolarHBondContact O-N 2.86Å; K246-M251 HydrophobicContact CB-CE 3.39Å; K246-M251 HydrophobicContact CD-CE 4.42Å; K246-M251 WeakPolarHBondContact O-CE 3.48Å
247E88.7Confident93.6Very high71 Ų7162.3 Ų62.333%0.33230%0.3SS..PPolyproline II helixtrans-67.2133.5174.9-64.2-65.3165.100110.2K155 P245 W249 S250K155-E247 IonicContact NZ-OE1 3.69Å; K155-E247 PolarHBondContact NZ-OE1 3.31Å; P245-E247 PolarHBondContact O-N 3.45Å; E247-W249 HydrophobicContact CB-CD2 4.24Å; E247-W249 HydrophobicContact CB-CG 4.3Å; E247-W249 HydrophobicContact CB-CZ2 4.03Å; E247-W249 VanDerWaalsContact CB-NE1 3.28Å; E247-W249 HydrophobicContact CG-CZ2 4.16Å; E247-W249 PolarHBondContact O-N 3.34Å; E247-W249 VanDerWaalsContact O-N 3.16Å; E247-S250 WeakPolarHBondContact O-CB 3.31Å; E247-S250 PolarHBondContact O-N 3.05Å; E247-S250 PolarHBondContact O-OG 3.28Å
248F85.7Confident93.4Very high41 Ų4165.3 Ų65.318%0.1832%0.318CS..G310 helixtrans-58.7-33.4-175.1-70.5-69.9000113.1K246 S250 M251 R256 E259 Y260K246-F248 PolarHBondContact O-N 2.86Å; F248-S250 PolarHBondContact O-N 3.4Å; F248-M251 HydrophobicContact CD1-CE 4.42Å; F248-M251 HydrophobicContact CD1-SD 3.98Å; F248-M251 WeakPolarHBondContact O-CB 3.34Å; F248-M251 PolarHBondContact O-N 3.03Å; F248-M251 VanDerWaalsContact O-N 3.15Å; F248-R256 HydrophobicContact CB-CG 4.41Å; F248-R256 HydrophobicContact CD1-CG 4.15Å; F248-R256 VanDerWaalsContact O-CD 3.3Å; F248-R256 WeakPolarHBondContact O-CD 3.23Å; F248-E259 HydrophobicContact CE1-CB 4.22Å; F248-E259 HydrophobicContact CE1-CG 3.93Å; F248-E259 HydrophobicContact CZ-CG 4.46Å; F248-Y260 AromaticContact CD1-CE1 3.83Å; F248-Y260 HydrophobicContact CD1-CE1 3.83Å; F248-Y260 AromaticContact CD1-CZ 3.77Å; F248-Y260 WeakPolarHBondContact CD1-OH 3.29Å; F248-Y260 AromaticContact CE1-CD1 3.97Å; F248-Y260 HydrophobicContact CE1-CD1 3.97Å; F248-Y260 AromaticContact CE1-CE1 3.26Å; F248-Y260 HydrophobicContact CE1-CE1 3.26Å; F248-Y260 AromaticContact CE1-CZ 3.71Å; F248-Y260 HydrophobicContact CE2-CE1 4.1Å; F248-Y260 HydrophobicContact CG-CE1 4.45Å; F248-Y260 HydrophobicContact CZ-CD1 4.16Å; F248-Y260 AromaticContact CZ-CE1 3.44Å; F248-Y260 HydrophobicContact CZ-CE1 3.44Å; F248-Y260 VanDerWaalsContact CZ-CE1 3.44Å
249W83.1Confident93.2Very high213 Ų21367.5 Ų67.581%0.80733%0.327SS*.G310 helixtrans-66.2-17.4177.659.9-102.2000113.6E247E247-W249 HydrophobicContact CB-CD2 4.24Å; E247-W249 HydrophobicContact CB-CG 4.3Å; E247-W249 HydrophobicContact CB-CZ2 4.03Å; E247-W249 VanDerWaalsContact CB-NE1 3.28Å; E247-W249 HydrophobicContact CG-CZ2 4.16Å; E247-W249 PolarHBondContact O-N 3.34Å; E247-W249 VanDerWaalsContact O-N 3.16Å
250S90.1Very high93.1Very high66 Ų6667.5 Ų67.546%0.46233%0.327SS..G310 helixtrans-88.7-4.1177.373.30000113.6E247 F248E247-S250 WeakPolarHBondContact O-CB 3.31Å; E247-S250 PolarHBondContact O-N 3.05Å; E247-S250 PolarHBondContact O-OG 3.28Å; F248-S250 PolarHBondContact O-N 3.4Å
251M91.2Very high93Very high30 Ų3065 Ų6515%0.14832%0.32CS..SBendtrans-102.1155.2-177.4-64.7178.9-174.300111.7K246 F248 E255 R256 E259K246-M251 HydrophobicContact CB-CE 3.39Å; K246-M251 HydrophobicContact CD-CE 4.42Å; K246-M251 WeakPolarHBondContact O-CE 3.48Å; F248-M251 HydrophobicContact CD1-CE 4.42Å; F248-M251 HydrophobicContact CD1-SD 3.98Å; F248-M251 WeakPolarHBondContact O-CB 3.34Å; F248-M251 PolarHBondContact O-N 3.03Å; F248-M251 VanDerWaalsContact O-N 3.15Å; M251-E255 WeakPolarHBondContact CA-OE2 3.19Å; M251-E255 HydrophobicContact CB-CB 3.93Å; M251-E255 HydrophobicContact CG-CB 4.38Å; M251-R256 HydrophobicContact CB-CG 3.64Å; M251-R256 HydrophobicContact CG-CG 4.47Å; M251-R256 HydrophobicContact SD-CG 4.05Å; M251-E259 HydrophobicContact CE-CG 4.44Å
252S92.3Very high93Very high46 Ų4667.9 Ų67.932%0.32233%0.325SS..  trans-69.8163.1165.188.50000111.7E254 E255 R256S252-E254 WeakPolarHBondContact CB-OE2 3.45Å; S252-E254 PolarHBondContact O-N 3.11Å; S252-E254 PolarHBondContact OG-N 3.02Å; S252-E254 PolarHBondContact OG-OE2 3.03Å; S252-E255 PolarHBondContact N-OE2 3.48Å; S252-E255 PolarHBondContact O-N 3.36Å; S252-E255 PolarHBondContact OG-N 2.99Å; S252-R256 WeakPolarHBondContact O-CG 3.35Å; S252-R256 PolarHBondContact O-N 3.33Å
253D91.2Very high92.9Very high30 Ų3067.4 Ų67.416%0.1632%0.324CS..Hα-helixtrans-53.8-42.4172.5-74.717.9000112.4R256 V257 T296 K297 L300D253-R256 PolarHBondContact O-N 2.9Å; D253-R256 IonicContact OD1-CZ 3.03Å; D253-R256 IonicContact OD1-NE 3.36Å; D253-R256 IonicContact OD1-NH2 3.79Å; D253-R256 PolarHBondContact OD1-NH2 2.99Å; D253-V257 VanDerWaalsContact O-CG2 3.28Å; D253-V257 WeakPolarHBondContact O-CG2 2.77Å; D253-V257 PolarHBondContact O-N 2.88Å; D253-T296 WeakPolarHBondContact OD2-CA 3.33Å; D253-T296 PolarHBondContact OD2-OG1 3.28Å; D253-K297 PolarHBondContact OD2-N 3.11Å; D253-K297 VanDerWaalsContact OD2-N 3.09Å; D253-L300 HydrophobicContact CB-CD1 3.58Å
254E93.1Very high93Very high66 Ų6662.7 Ų62.731%0.30830%0.301SS..Hα-helixtrans-62.3-47.2178.2-62.477.9-172.100111.6S252 V257 V258 K297 L300S252-E254 WeakPolarHBondContact CB-OE2 3.45Å; S252-E254 PolarHBondContact O-N 3.11Å; S252-E254 PolarHBondContact OG-N 3.02Å; S252-E254 PolarHBondContact OG-OE2 3.03Å; E254-V257 PolarHBondContact O-N 3.13Å; E254-V258 WeakPolarHBondContact O-CG2 3.49Å; E254-V258 PolarHBondContact O-N 3.37Å; E254-K297 VanDerWaalsContact CD-NZ 3.31Å; E254-K297 WeakPolarHBondContact OE1-CD 3.49Å; E254-K297 WeakPolarHBondContact OE1-CE 3.37Å; E254-K297 IonicContact OE1-NZ 2.71Å; E254-K297 PolarHBondContact OE1-NZ 2.86Å; E254-K297 IonicContact OE2-NZ 2.78Å; E254-K297 PolarHBondContact OE2-NZ 3.29Å; E254-L300 HydrophobicContact CG-CD1 4.13Å
255E94.3Very high93Very high96 Ų9666.2 Ų66.245%0.44932%0.317SS..Hα-helixtrans-62.6-43.3178.3-72.2179.2141.800111.4M251 S252 V257 V258 E259M251-E255 WeakPolarHBondContact CA-OE2 3.19Å; M251-E255 HydrophobicContact CB-CB 3.93Å; M251-E255 HydrophobicContact CG-CB 4.38Å; S252-E255 PolarHBondContact N-OE2 3.48Å; S252-E255 PolarHBondContact O-N 3.36Å; S252-E255 PolarHBondContact OG-N 2.99Å; E255-V257 PolarHBondContact O-N 3.44Å; E255-V258 PolarHBondContact O-N 2.9Å; E255-E259 PolarHBondContact O-N 2.8Å
256R93.2Very high93.3Very high47 Ų4767.6 Ų67.618%0.17732%0.315CS..Hα-helixtrans-59.8-47175.9-70.2-168.7-74.1162.71.7111.7F248 M251 S252 D253 V258 E259 Y260F248-R256 HydrophobicContact CB-CG 4.41Å; F248-R256 HydrophobicContact CD1-CG 4.15Å; F248-R256 VanDerWaalsContact O-CD 3.3Å; F248-R256 WeakPolarHBondContact O-CD 3.23Å; M251-R256 HydrophobicContact CB-CG 3.64Å; M251-R256 HydrophobicContact CG-CG 4.47Å; M251-R256 HydrophobicContact SD-CG 4.05Å; S252-R256 WeakPolarHBondContact O-CG 3.35Å; S252-R256 PolarHBondContact O-N 3.33Å; D253-R256 PolarHBondContact O-N 2.9Å; D253-R256 IonicContact OD1-CZ 3.03Å; D253-R256 IonicContact OD1-NE 3.36Å; D253-R256 IonicContact OD1-NH2 3.79Å; D253-R256 PolarHBondContact OD1-NH2 2.99Å; R256-V258 VanDerWaalsContact C-N 3.33Å; R256-V258 PolarHBondContact O-N 3.45Å; R256-E259 PolarHBondContact O-N 3.44Å; R256-E259 VanDerWaalsContact O-N 3.16Å; R256-Y260 HydrophobicContact CB-CE2 3.99Å; R256-Y260 WeakPolarHBondContact O-CD2 3.4Å; R256-Y260 VanDerWaalsContact O-CG 3.31Å; R256-Y260 PolarHBondContact O-N 3.28Å
257V93.6Very high93.6Very high1 Ų160.8 Ų60.81%0.00629%0.285CS..Hα-helixtrans-61.8-42.4179.1172.20000111D253 E254 E255 E259 Y260 E261 K303 V304 L307D253-V257 VanDerWaalsContact O-CG2 3.28Å; D253-V257 WeakPolarHBondContact O-CG2 2.77Å; D253-V257 PolarHBondContact O-N 2.88Å; E254-V257 PolarHBondContact O-N 3.13Å; E255-V257 PolarHBondContact O-N 3.44Å; V257-E259 VanDerWaalsContact C-N 3.31Å; V257-E259 PolarHBondContact O-N 2.6Å; V257-Y260 PolarHBondContact O-N 3.1Å; V257-E261 WeakPolarHBondContact O-CG 3.42Å; V257-E261 PolarHBondContact O-N 3.25Å; V257-K303 HydrophobicContact CG1-CD 3.76Å; V257-K303 HydrophobicContact CG1-CG 4.04Å; V257-V304 HydrophobicContact CG2-CG2 3.65Å; V257-L307 HydrophobicContact CG1-CD2 4.44Å
258V95.2Very high94.1Very high62 Ų6259 Ų5938%0.37628%0.279SS..Hα-helixtrans-61-40.8174.7169.70000111.4E254 E255 R256 E261 K262E254-V258 WeakPolarHBondContact O-CG2 3.49Å; E254-V258 PolarHBondContact O-N 3.37Å; E255-V258 PolarHBondContact O-N 2.9Å; R256-V258 VanDerWaalsContact C-N 3.33Å; R256-V258 PolarHBondContact O-N 3.45Å; V258-E261 WeakPolarHBondContact O-CB 3.24Å; V258-E261 PolarHBondContact O-N 2.93Å; V258-K262 WeakPolarHBondContact O-CG 3.37Å; V258-K262 PolarHBondContact O-N 3.35Å
259E95Very high94.7Very high66 Ų6661.8 Ų61.831%0.30829%0.293SS..Hα-helixtrans-66.9-40.1178.2-16855.9-151.200112.1F248 M251 E255 R256 V257 E261 K262 L263F248-E259 HydrophobicContact CE1-CB 4.22Å; F248-E259 HydrophobicContact CE1-CG 3.93Å; F248-E259 HydrophobicContact CZ-CG 4.46Å; M251-E259 HydrophobicContact CE-CG 4.44Å; E255-E259 PolarHBondContact O-N 2.8Å; R256-E259 PolarHBondContact O-N 3.44Å; R256-E259 VanDerWaalsContact O-N 3.16Å; V257-E259 VanDerWaalsContact C-N 3.31Å; V257-E259 PolarHBondContact O-N 2.6Å; E259-E261 VanDerWaalsContact C-N 3.33Å; E259-E261 PolarHBondContact O-N 2.91Å; E259-K262 PolarHBondContact O-N 3.11Å; E259-K262 IonicContact OE2-NZ 2.7Å; E259-L263 WeakPolarHBondContact O-CB 3.36Å; E259-L263 PolarHBondContact O-N 2.63Å
260Y95.1Very high95.5Very high1 Ų151.8 Ų51.80%0.00426%0.255CS..Hα-helixtrans-66.5-33173.4-61.3-40.7000113F248 R256 V257 L263 K264 Q289 L290 Y294F248-Y260 AromaticContact CD1-CE1 3.83Å; F248-Y260 HydrophobicContact CD1-CE1 3.83Å; F248-Y260 AromaticContact CD1-CZ 3.77Å; F248-Y260 WeakPolarHBondContact CD1-OH 3.29Å; F248-Y260 AromaticContact CE1-CD1 3.97Å; F248-Y260 HydrophobicContact CE1-CD1 3.97Å; F248-Y260 AromaticContact CE1-CE1 3.26Å; F248-Y260 HydrophobicContact CE1-CE1 3.26Å; F248-Y260 AromaticContact CE1-CZ 3.71Å; F248-Y260 HydrophobicContact CE2-CE1 4.1Å; F248-Y260 HydrophobicContact CG-CE1 4.45Å; F248-Y260 HydrophobicContact CZ-CD1 4.16Å; F248-Y260 AromaticContact CZ-CE1 3.44Å; F248-Y260 HydrophobicContact CZ-CE1 3.44Å; F248-Y260 VanDerWaalsContact CZ-CE1 3.44Å; R256-Y260 HydrophobicContact CB-CE2 3.99Å; R256-Y260 WeakPolarHBondContact O-CD2 3.4Å; R256-Y260 VanDerWaalsContact O-CG 3.31Å; R256-Y260 PolarHBondContact O-N 3.28Å; V257-Y260 PolarHBondContact O-N 3.1Å; Y260-L263 PolarHBondContact O-N 3.03Å; Y260-K264 WeakPolarHBondContact O-CB 3.34Å; Y260-K264 PolarHBondContact O-N 2.49Å; Y260-Q289 HydrophobicContact CE1-CB 3.64Å; Y260-Q289 HydrophobicContact CE1-CG 3.86Å; Y260-Q289 HydrophobicContact CE2-CB 4.36Å; Y260-Q289 WeakPolarHBondContact OH-CB 3.43Å; Y260-L290 HydrophobicContact CD2-CD1 4.47Å; Y260-L290 HydrophobicContact CD2-CD2 3.64Å; Y260-L290 HydrophobicContact CD2-CG 4.17Å; Y260-L290 HydrophobicContact CE2-CD2 3.7Å; Y260-L290 HydrophobicContact CE2-CG 4.43Å; Y260-Y294 HydrophobicContact CE2-CE2 4.11Å
261E97.5Very high95.9Very high58 Ų5850.3 Ų50.327%0.27124%0.242SC..Hα-helixtrans-62.8-49.9172.7-75.7-179.1138.200111.3V257 V258 E259 L263 K264 E265 K303 L307V257-E261 WeakPolarHBondContact O-CG 3.42Å; V257-E261 PolarHBondContact O-N 3.25Å; V258-E261 WeakPolarHBondContact O-CB 3.24Å; V258-E261 PolarHBondContact O-N 2.93Å; E259-E261 VanDerWaalsContact C-N 3.33Å; E259-E261 PolarHBondContact O-N 2.91Å; E261-L263 VanDerWaalsContact C-N 3.29Å; E261-L263 PolarHBondContact O-N 3.15Å; E261-K264 PolarHBondContact O-N 3.14Å; E261-E265 WeakPolarHBondContact O-CG 3.27Å; E261-E265 PolarHBondContact O-N 3.2Å; E261-K303 VanDerWaalsContact CD-NZ 3.34Å; E261-K303 WeakPolarHBondContact OE1-CE 3.37Å; E261-K303 IonicContact OE1-NZ 3.27Å; E261-K303 PolarHBondContact OE1-NZ 3.31Å; E261-K303 VanDerWaalsContact OE2-CE 3.23Å; E261-K303 WeakPolarHBondContact OE2-CE 3.28Å; E261-K303 IonicContact OE2-NZ 2.57Å; E261-K303 PolarHBondContact OE2-NZ 2.94Å; E261-L307 HydrophobicContact CG-CD1 4.15Å; E261-L307 HydrophobicContact CG-CD2 3.92Å
262K97.2Very high96.2Very high114 Ų11457.4 Ų57.450%0.49627%0.271SS..Hα-helixtrans-58-42.8174.8-69.6176-174171.10111.7V258 E259 E265 R266V258-K262 WeakPolarHBondContact O-CG 3.37Å; V258-K262 PolarHBondContact O-N 3.35Å; E259-K262 PolarHBondContact O-N 3.11Å; E259-K262 IonicContact OE2-NZ 2.7Å; K262-E265 PolarHBondContact O-N 2.96Å; K262-R266 WeakPolarHBondContact O-CB 3.36Å; K262-R266 PolarHBondContact O-N 2.66Å
263L96.8Very high96.5Very high31 Ų3158.1 Ų58.116%0.16228%0.28CS..Hα-helixtrans-63.2-44.4179.1-167.861.6000111.8E259 Y260 E261 R266 G267 K282 K285 V286E259-L263 WeakPolarHBondContact O-CB 3.36Å; E259-L263 PolarHBondContact O-N 2.63Å; Y260-L263 PolarHBondContact O-N 3.03Å; E261-L263 VanDerWaalsContact C-N 3.29Å; E261-L263 PolarHBondContact O-N 3.15Å; L263-R266 PolarHBondContact O-N 3.08Å; L263-G267 PolarHBondContact O-N 2.89Å; L263-K282 HydrophobicContact CD1-CB 4.25Å; L263-K282 HydrophobicContact CD1-CD 3.75Å; L263-K282 HydrophobicContact CD1-CG 4.34Å; L263-K282 HydrophobicContact CG-CB 4.33Å; L263-K282 WeakPolarHBondContact O-CB 3.46Å; L263-K285 HydrophobicContact CD2-CB 3.79Å; L263-K285 HydrophobicContact CD2-CG 3.63Å; L263-V286 HydrophobicContact CB-CG2 3.9Å; L263-V286 HydrophobicContact CD2-CG2 3.78Å; L263-V286 HydrophobicContact CG-CG2 3.92Å
264K98.2Very high96.8Very high46 Ų4658.3 Ų58.320%0.229%0.29CS..Hα-helixtrans-63-41173.1179-145.551127.50111.4Y260 E261 G267 T268 Y283 V286 L307 A310Y260-K264 WeakPolarHBondContact O-CB 3.34Å; Y260-K264 PolarHBondContact O-N 2.49Å; E261-K264 PolarHBondContact O-N 3.14Å; K264-G267 PolarHBondContact O-N 3.49Å; K264-T268 PolarHBondContact O-N 2.93Å; K264-T268 PolarHBondContact O-OG1 3.25Å; K264-Y283 HydrophobicContact CG-CD1 4.12Å; K264-Y283 HydrophobicContact CG-CE1 3.81Å; K264-Y283 WeakPolarHBondContact O-CE1 3.39Å; K264-V286 HydrophobicContact CB-CG2 4.37Å; K264-L307 HydrophobicContact CB-CD1 4.08Å; K264-L307 HydrophobicContact CD-CD1 3.72Å; K264-L307 HydrophobicContact CG-CD1 4.34Å; K264-A310 HydrophobicContact CD-CB 4.19Å
265E98.5Very high97Very high108 Ų10859 Ų5951%0.50529%0.292SS..Hα-helixtrans-62.5-45.6177-75.6177.7174.400111.6E261 K262 G267 T268 E269E261-E265 WeakPolarHBondContact O-CG 3.27Å; E261-E265 PolarHBondContact O-N 3.2Å; K262-E265 PolarHBondContact O-N 2.96Å; E265-G267 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.48Å; E265-T268 CarbonylContact O-C 3.57Å; E265-T268 WeakPolarHBondContact O-CA 3.3Å; E265-T268 VanDerWaalsContact O-CB 3.23Å; E265-T268 WeakPolarHBondContact O-CB 3.32Å; E265-T268 PolarHBondContact O-N 3.34Å; E265-E269 PolarHBondContact O-N 2.83Å
266R97.9Very high97.2Very high84 Ų8458.1 Ų58.132%0.31729%0.285SS..Hα-helixtrans-57.5-43.6173-173.158.3172.6172.3-0.5112.2E184 K262 L263 T268 E269 F270 K282E184-R266 IonicContact OE1-NE 3.3Å; E184-R266 IonicContact OE2-CZ 2.88Å; E184-R266 IonicContact OE2-NE 2.66Å; E184-R266 PolarHBondContact OE2-NE 3.48Å; E184-R266 VanDerWaalsContact OE2-NE 3.09Å; E184-R266 IonicContact OE2-NH2 3.38Å; E184-R266 PolarHBondContact OE2-NH2 2.82Å; K262-R266 WeakPolarHBondContact O-CB 3.36Å; K262-R266 PolarHBondContact O-N 2.66Å; L263-R266 PolarHBondContact O-N 3.08Å; R266-T268 PolarHBondContact O-N 3.15Å; R266-E269 WeakPolarHBondContact CD-OE2 3.2Å; R266-E269 IonicContact CZ-OE2 2.97Å; R266-E269 IonicContact NE-OE2 3.64Å; R266-E269 IonicContact NH1-OE2 3.9Å; R266-E269 PolarHBondContact NH1-OE2 3.21Å; R266-E269 WeakPolarHBondContact O-CB 3.33Å; R266-E269 PolarHBondContact O-N 3.33Å; R266-F270 HydrophobicContact CG-CD2 4.27Å; R266-F270 HydrophobicContact CG-CE2 3.76Å; R266-F270 HydrophobicContact CG-CZ 4.43Å; R266-F270 VanDerWaalsContact O-CD2 3.32Å; R266-F270 WeakPolarHBondContact O-CD2 3.15Å; R266-F270 PolarHBondContact O-N 3.4Å; R266-F270 VanDerWaalsContact O-N 3.1Å; R266-K282 HydrophobicContact CG-CG 4.45Å
267G98.6Very high97.4Very high0 Ų062.1 Ų62.10%030%0.303CS..Hα-helixtrans-58.9-33.6171.800000113.3L263 K264 E265 F270 L271 A279 Y283L263-G267 PolarHBondContact O-N 2.89Å; K264-G267 PolarHBondContact O-N 3.49Å; E265-G267 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.48Å; G267-F270 PolarHBondContact O-N 3.43Å; G267-L271 WeakPolarHBondContact O-CB 3.37Å; G267-L271 PolarHBondContact O-N 2.79Å; G267-A279 VanDerWaalsContact O-CB 3.32Å; G267-A279 WeakPolarHBondContact O-CB 3.23Å; G267-Y283 VanDerWaalsContact C-OH 3.28Å; G267-Y283 PolarHBondContact O-OH 2.77Å
268T98.6Very high97.6Very high32 Ų3263 Ų6320%0.19631%0.308CS..Hα-helixtrans-74.5-35.7178.9-53.10000112.2K264 E265 R266 L271 K272 Y283K264-T268 PolarHBondContact O-N 2.93Å; K264-T268 PolarHBondContact O-OG1 3.25Å; E265-T268 CarbonylContact O-C 3.57Å; E265-T268 WeakPolarHBondContact O-CA 3.3Å; E265-T268 VanDerWaalsContact O-CB 3.23Å; E265-T268 WeakPolarHBondContact O-CB 3.32Å; E265-T268 PolarHBondContact O-N 3.34Å; R266-T268 PolarHBondContact O-N 3.15Å; T268-L271 PolarHBondContact O-N 2.96Å; T268-K272 WeakPolarHBondContact O-CG 3.27Å; T268-K272 PolarHBondContact O-N 2.94Å; T268-Y283 WeakPolarHBondContact CA-OH 3.48Å; T268-Y283 PolarHBondContact N-OH 3.13Å; T268-Y283 VanDerWaalsContact N-OH 3.13Å; T268-Y283 PolarHBondContact OG1-OH 3.31Å
269E98.6Very high97.7Very high101 Ų10160 Ų6047%0.47229%0.29SS..Hα-helixtrans-59.3-48.4169.1-65.6172.9-179.600110.7E265 R266 L271 K272 A273E265-E269 PolarHBondContact O-N 2.83Å; R266-E269 WeakPolarHBondContact CD-OE2 3.2Å; R266-E269 IonicContact CZ-OE2 2.97Å; R266-E269 IonicContact NE-OE2 3.64Å; R266-E269 IonicContact NH1-OE2 3.9Å; R266-E269 PolarHBondContact NH1-OE2 3.21Å; R266-E269 WeakPolarHBondContact O-CB 3.33Å; R266-E269 PolarHBondContact O-N 3.33Å; E269-L271 PolarHBondContact O-N 2.94Å; E269-K272 PolarHBondContact O-N 3.03Å; E269-A273 PolarHBondContact O-N 3.33Å
270F98.7Very high97.9Very high3 Ų356.9 Ų56.91%0.01328%0.275CS..Hα-helixtrans-62.6-41.2176.9-70.5-43.2000113.3E184 E187 R266 G267 K272 A273 G274 K275 L278 A279 K282E184-F270 HydrophobicContact CG-CE2 4.19Å; E184-F270 HydrophobicContact CG-CZ 3.96Å; E184-F270 WeakPolarHBondContact OE2-CZ 3.4Å; E187-F270 HydrophobicContact CG-CE1 3.9Å; E187-F270 HydrophobicContact CG-CZ 4.19Å; E187-F270 WeakPolarHBondContact OE2-CE1 3.32Å; R266-F270 HydrophobicContact CG-CD2 4.27Å; R266-F270 HydrophobicContact CG-CE2 3.76Å; R266-F270 HydrophobicContact CG-CZ 4.43Å; R266-F270 VanDerWaalsContact O-CD2 3.32Å; R266-F270 WeakPolarHBondContact O-CD2 3.15Å; R266-F270 PolarHBondContact O-N 3.4Å; R266-F270 VanDerWaalsContact O-N 3.1Å; G267-F270 PolarHBondContact O-N 3.43Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-K272 PolarHBondContact O-N 3.23Å; F270-A273 CarbonylContact O-C 3.59Å; F270-A273 PolarHBondContact O-N 3.36Å; F270-G274 PolarHBondContact O-N 3.16Å; F270-G274 VanDerWaalsContact O-N 3.11Å; F270-K275 HydrophobicContact CB-CB 4.12Å; F270-K275 HydrophobicContact CD1-CB 4.15Å; F270-K275 HydrophobicContact CD1-CD 3.99Å; F270-K275 HydrophobicContact CE1-CD 4.42Å; F270-K275 HydrophobicContact CG-CB 4.48Å; F270-K275 PolarHBondContact O-N 2.99Å; F270-L278 HydrophobicContact CB-CB 4.16Å; F270-L278 HydrophobicContact CD1-CB 4.07Å; F270-L278 HydrophobicContact CD1-CD1 3.86Å; F270-L278 HydrophobicContact CD2-CB 3.57Å; F270-L278 HydrophobicContact CE1-CB 4.36Å; F270-L278 HydrophobicContact CE1-CD1 3.61Å; F270-L278 HydrophobicContact CE2-CB 3.86Å; F270-L278 HydrophobicContact CE2-CD1 4.3Å; F270-L278 HydrophobicContact CG-CB 3.67Å; F270-L278 HydrophobicContact CG-CD1 4.33Å; F270-L278 HydrophobicContact CZ-CB 4.24Å; F270-L278 HydrophobicContact CZ-CD1 3.82Å; F270-A279 HydrophobicContact CB-CB 3.84Å; F270-K282 HydrophobicContact CD2-CG 4.16Å; F270-K282 HydrophobicContact CE2-CG 4.3Å
271L98.5Very high98Very high35 Ų3558.9 Ų58.918%0.18329%0.292CS..Hα-helixtrans-58.9-45.5174.5171.359.6000111.3G267 T268 E269 A273 G274 Y276 A279 L317 V318G267-L271 WeakPolarHBondContact O-CB 3.37Å; G267-L271 PolarHBondContact O-N 2.79Å; T268-L271 PolarHBondContact O-N 2.96Å; E269-L271 PolarHBondContact O-N 2.94Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 2.99Å; L271-G274 PolarHBondContact O-N 2.92Å; L271-G274 VanDerWaalsContact O-N 3.09Å; L271-Y276 HydrophobicContact CD1-CD1 4.12Å; L271-Y276 HydrophobicContact CD1-CE1 3.94Å; L271-A279 HydrophobicContact CB-CB 4.17Å; L271-L317 HydrophobicContact CD1-CD2 4.31Å; L271-L317 HydrophobicContact CD2-CD2 4.05Å; L271-V318 HydrophobicContact CD1-CG2 3.87Å
272K98.3Very high98.1Very high178 Ų17856.6 Ų56.677%0.77428%0.281SS*.Hα-helixtrans-63.4-35.1176.9-72.6172.4-179.1176.90112.1T268 E269 F270 G274T268-K272 WeakPolarHBondContact O-CG 3.27Å; T268-K272 PolarHBondContact O-N 2.94Å; E269-K272 PolarHBondContact O-N 3.03Å; F270-K272 VanDerWaalsContact C-N 3.34Å; F270-K272 PolarHBondContact O-N 3.23Å; K272-G274 PolarHBondContact O-N 3.33Å
273A98Very high98.1Very high61 Ų6151.2 Ų51.250%0.50426%0.257SS..THydrogen-bonded Turntrans-78.60.4175.400000114E269 F270 L271 K275E269-A273 PolarHBondContact O-N 3.33Å; F270-A273 CarbonylContact O-C 3.59Å; F270-A273 PolarHBondContact O-N 3.36Å; L271-A273 VanDerWaalsContact C-N 3.28Å; L271-A273 PolarHBondContact O-N 2.99Å; A273-K275 HydrophobicContact CB-CD 4.22Å; A273-K275 HydrophobicContact CB-CG 4.05Å; A273-K275 PolarHBondContact O-N 3.37Å
274G97.8Very high98.2Very high35 Ų3554.6 Ų54.636%0.36127%0.268SS..THydrogen-bonded Turntrans72.99.5-176.700000114.5F270 L271 K272 Y276F270-G274 PolarHBondContact O-N 3.16Å; F270-G274 VanDerWaalsContact O-N 3.11Å; L271-G274 PolarHBondContact O-N 2.92Å; L271-G274 VanDerWaalsContact O-N 3.09Å; K272-G274 PolarHBondContact O-N 3.33Å; G274-Y276 VanDerWaalsContact C-N 3.27Å; G274-Y276 WeakPolarHBondContact O-CD2 3.4Å; G274-Y276 PolarHBondContact O-N 3.43Å
275K97.8Very high98Very high80 Ų8056.2 Ų56.235%0.34828%0.275SS..  trans-85.567-178.2-58.9-175.6-173.8-178.20110.4E187 F270 A273 K277 L278 A279E187-K275 WeakPolarHBondContact OE1-CD 3.33Å; E187-K275 WeakPolarHBondContact OE1-CE 3.48Å; E187-K275 IonicContact OE1-NZ 3.67Å; E187-K275 PolarHBondContact OE1-NZ 3.09Å; E187-K275 IonicContact OE2-NZ 2.86Å; E187-K275 PolarHBondContact OE2-NZ 3.33Å; F270-K275 HydrophobicContact CB-CB 4.12Å; F270-K275 HydrophobicContact CD1-CB 4.15Å; F270-K275 HydrophobicContact CD1-CD 3.99Å; F270-K275 HydrophobicContact CE1-CD 4.42Å; F270-K275 HydrophobicContact CG-CB 4.48Å; F270-K275 PolarHBondContact O-N 2.99Å; A273-K275 HydrophobicContact CB-CD 4.22Å; A273-K275 HydrophobicContact CB-CG 4.05Å; A273-K275 PolarHBondContact O-N 3.37Å; K275-K277 PolarHBondContact O-N 2.86Å; K275-L278 HydrophobicContact CB-CB 4.46Å; K275-L278 HydrophobicContact CB-CD1 4.28Å; K275-L278 HydrophobicContact CD-CD1 4.21Å; K275-L278 PolarHBondContact O-N 3.33Å; K275-A279 PolarHBondContact O-N 2.79Å
276Y98.3Very high97.9Very high77 Ų7751.1 Ų51.130%0.30225%0.251SS..Hα-helixtrans-60.5-39.5-168.5-59.2-47000114.1L271 G274 A279 A280 V318 K321L271-Y276 HydrophobicContact CD1-CD1 4.12Å; L271-Y276 HydrophobicContact CD1-CE1 3.94Å; G274-Y276 VanDerWaalsContact C-N 3.27Å; G274-Y276 WeakPolarHBondContact O-CD2 3.4Å; G274-Y276 PolarHBondContact O-N 3.43Å; Y276-A279 PolarHBondContact O-N 3.21Å; Y276-A280 WeakPolarHBondContact O-CB 3.19Å; Y276-A280 PolarHBondContact O-N 3.15Å; Y276-V318 WeakPolarHBondContact O-CG1 3.2Å; Y276-K321 HydrophobicContact CD1-CB 4.09Å; Y276-K321 HydrophobicContact CD1-CG 4.34Å; Y276-K321 HydrophobicContact CD2-CB 3.82Å; Y276-K321 HydrophobicContact CE1-CB 4.15Å; Y276-K321 HydrophobicContact CE1-CG 4Å; Y276-K321 HydrophobicContact CE2-CB 3.87Å; Y276-K321 HydrophobicContact CE2-CG 4.28Å; Y276-K321 HydrophobicContact CG-CB 3.94Å
277K96.7Very high97.8Very high131 Ų13147.6 Ų47.657%0.5724%0.239SC*.Hα-helixtrans-61.3-46.9178-70.3-173.4177.9-1760112.5E192 K275 A280 A281 L322E192-K277 IonicContact OE1-NZ 3.56Å; E192-K277 PolarHBondContact OE1-NZ 2.95Å; K275-K277 PolarHBondContact O-N 2.86Å; K277-A280 PolarHBondContact O-N 3.49Å; K277-A281 PolarHBondContact O-N 3.26Å; K277-L322 HydrophobicContact CG-CD2 4.02Å
278L98Very high97.6Very high20 Ų2053.6 Ų53.611%0.10527%0.267CS..Hα-helixtrans-63.3-44.6177.1-62.8-179.4000110.8G183 E187 F270 K275 A280 A281 K282G183-L278 WeakPolarHBondContact O-CD2 3.14Å; E187-L278 HydrophobicContact CG-CD1 4.26Å; F270-L278 HydrophobicContact CB-CB 4.16Å; F270-L278 HydrophobicContact CD1-CB 4.07Å; F270-L278 HydrophobicContact CD1-CD1 3.86Å; F270-L278 HydrophobicContact CD2-CB 3.57Å; F270-L278 HydrophobicContact CE1-CB 4.36Å; F270-L278 HydrophobicContact CE1-CD1 3.61Å; F270-L278 HydrophobicContact CE2-CB 3.86Å; F270-L278 HydrophobicContact CE2-CD1 4.3Å; F270-L278 HydrophobicContact CG-CB 3.67Å; F270-L278 HydrophobicContact CG-CD1 4.33Å; F270-L278 HydrophobicContact CZ-CB 4.24Å; F270-L278 HydrophobicContact CZ-CD1 3.82Å; K275-L278 HydrophobicContact CB-CB 4.46Å; K275-L278 HydrophobicContact CB-CD1 4.28Å; K275-L278 HydrophobicContact CD-CD1 4.21Å; K275-L278 PolarHBondContact O-N 3.33Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.97Å; L278-A281 PolarHBondContact O-N 3.44Å; L278-K282 WeakPolarHBondContact O-CG 3.48Å; L278-K282 PolarHBondContact O-N 2.74Å; L278-K282 VanDerWaalsContact O-N 3.15Å
279A98.7Very high97.3Very high0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-57.3-45.8175.500000112G267 F270 L271 K275 Y276 A281 K282 Y283 V318G267-A279 VanDerWaalsContact O-CB 3.32Å; G267-A279 WeakPolarHBondContact O-CB 3.23Å; F270-A279 HydrophobicContact CB-CB 3.84Å; L271-A279 HydrophobicContact CB-CB 4.17Å; K275-A279 PolarHBondContact O-N 2.79Å; Y276-A279 PolarHBondContact O-N 3.21Å; A279-A281 PolarHBondContact O-N 2.99Å; A279-K282 PolarHBondContact O-N 3.24Å; A279-Y283 HydrophobicContact CB-CD2 4.5Å; A279-Y283 HydrophobicContact CB-CE2 4.11Å; A279-Y283 WeakPolarHBondContact O-CD2 3.48Å; A279-Y283 PolarHBondContact O-N 3.03Å; A279-V318 HydrophobicContact CB-CG1 4.35Å; A279-V318 HydrophobicContact CB-CG2 3.93Å
280A98.6Very high96.9Very high0 Ų050.4 Ų50.40%025%0.25CS..Hα-helixtrans-59.5-46.9177.900000111.2Y276 K277 L278 K282 Y283 R284 L315 V318 L322Y276-A280 WeakPolarHBondContact O-CB 3.19Å; Y276-A280 PolarHBondContact O-N 3.15Å; K277-A280 PolarHBondContact O-N 3.49Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.97Å; A280-K282 VanDerWaalsContact C-N 3.29Å; A280-K282 PolarHBondContact O-N 3.09Å; A280-Y283 PolarHBondContact O-N 3.22Å; A280-R284 WeakPolarHBondContact O-CB 3.43Å; A280-R284 VanDerWaalsContact O-CG 3.25Å; A280-R284 WeakPolarHBondContact O-CG 3.11Å; A280-R284 PolarHBondContact O-N 2.88Å; A280-L315 HydrophobicContact CB-CD1 4.22Å; A280-V318 HydrophobicContact CB-CG1 3.68Å; A280-L322 HydrophobicContact CB-CD1 4.05Å
281A97.6Very high96.1Very high42 Ų4253.2 Ų53.235%0.34726%0.264SS..Hα-helixtrans-56.6-43.7178.700000111.7K277 L278 A279 K285K277-A281 PolarHBondContact O-N 3.26Å; L278-A281 PolarHBondContact O-N 3.44Å; A279-A281 PolarHBondContact O-N 2.99Å; A281-K285 PolarHBondContact O-N 3.04Å; A281-K285 VanDerWaalsContact O-N 3.13Å
282K98.3Very high94.1Very high11 Ų1156.9 Ų56.95%0.04829%0.289CS..Hα-helixtrans-66.6-47.7179.1-56.2-38.2179.3176.40112.2E184 L263 R266 F270 L278 A279 A280 K285 V286E184-K282 WeakPolarHBondContact OE1-CE 3.27Å; E184-K282 IonicContact OE1-NZ 2.83Å; E184-K282 PolarHBondContact OE1-NZ 3.3Å; L263-K282 HydrophobicContact CD1-CB 4.25Å; L263-K282 HydrophobicContact CD1-CD 3.75Å; L263-K282 HydrophobicContact CD1-CG 4.34Å; L263-K282 HydrophobicContact CG-CB 4.33Å; L263-K282 WeakPolarHBondContact O-CB 3.46Å; R266-K282 HydrophobicContact CG-CG 4.45Å; F270-K282 HydrophobicContact CD2-CG 4.16Å; F270-K282 HydrophobicContact CE2-CG 4.3Å; L278-K282 WeakPolarHBondContact O-CG 3.48Å; L278-K282 PolarHBondContact O-N 2.74Å; L278-K282 VanDerWaalsContact O-N 3.15Å; A279-K282 PolarHBondContact O-N 3.24Å; A280-K282 VanDerWaalsContact C-N 3.29Å; A280-K282 PolarHBondContact O-N 3.09Å; K282-K285 PolarHBondContact O-N 2.8Å; K282-V286 PolarHBondContact O-N 2.95Å
283Y98.6Very high92.5Very high0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-67.3-39.6179.3-60.1-51.1000112.8K264 G267 T268 A279 A280 K285 V286 V287 N314 V318K264-Y283 HydrophobicContact CG-CD1 4.12Å; K264-Y283 HydrophobicContact CG-CE1 3.81Å; K264-Y283 WeakPolarHBondContact O-CE1 3.39Å; G267-Y283 VanDerWaalsContact C-OH 3.28Å; G267-Y283 PolarHBondContact O-OH 2.77Å; T268-Y283 WeakPolarHBondContact CA-OH 3.48Å; T268-Y283 PolarHBondContact N-OH 3.13Å; T268-Y283 VanDerWaalsContact N-OH 3.13Å; T268-Y283 PolarHBondContact OG1-OH 3.31Å; A279-Y283 HydrophobicContact CB-CD2 4.5Å; A279-Y283 HydrophobicContact CB-CE2 4.11Å; A279-Y283 WeakPolarHBondContact O-CD2 3.48Å; A279-Y283 PolarHBondContact O-N 3.03Å; A280-Y283 PolarHBondContact O-N 3.22Å; Y283-K285 VanDerWaalsContact C-N 3.28Å; Y283-K285 PolarHBondContact O-N 2.81Å; Y283-V286 PolarHBondContact O-N 2.88Å; Y283-V287 WeakPolarHBondContact O-CG2 3.12Å; Y283-V287 PolarHBondContact O-N 2.84Å; Y283-N314 HydrophobicContact CD1-CB 4.18Å; Y283-N314 HydrophobicContact CD2-CB 4.01Å; Y283-N314 HydrophobicContact CE1-CB 3.77Å; Y283-N314 HydrophobicContact CE2-CB 3.58Å; Y283-N314 HydrophobicContact CG-CB 4.29Å; Y283-N314 VanDerWaalsContact CZ-CB 3.44Å; Y283-N314 PolarHBondContact OH-ND2 3.48Å; Y283-V318 HydrophobicContact CD2-CG2 4.2Å; Y283-V318 HydrophobicContact CE2-CG2 3.94Å
284R97.6Very high91.4Very high102 Ų10254.4 Ų54.439%0.38527%0.273SS..Hα-helixtrans-57.6-43.6175.2-76-179.2-145-179.72.6110.9A280 V286 V287 E288 L315 E324A280-R284 WeakPolarHBondContact O-CB 3.43Å; A280-R284 VanDerWaalsContact O-CG 3.25Å; A280-R284 WeakPolarHBondContact O-CG 3.11Å; A280-R284 PolarHBondContact O-N 2.88Å; R284-V286 VanDerWaalsContact C-N 3.34Å; R284-V286 PolarHBondContact O-N 3.33Å; R284-V287 PolarHBondContact O-N 2.71Å; R284-E288 VanDerWaalsContact O-CB 3.28Å; R284-E288 WeakPolarHBondContact O-CB 3.5Å; R284-E288 PolarHBondContact O-N 2.85Å; R284-L315 HydrophobicContact CG-CD1 3.7Å; R284-L315 HydrophobicContact CG-CD2 3.75Å; R284-L315 HydrophobicContact CG-CG 4.41Å; R284-E324 IonicContact CZ-OE2 3.02Å; R284-E324 VanDerWaalsContact NH2-CD 3.3Å; R284-E324 IonicContact NH2-OE1 2.69Å; R284-E324 PolarHBondContact NH2-OE1 2.88Å; R284-E324 IonicContact NH2-OE2 3.95Å; R284-E324 PolarHBondContact NH2-OE2 2.68Å
285K95.2Very high90.5Very high81 Ų8161.1 Ų61.135%0.35230%0.295SS..Hα-helixtrans-62.8-40.8178.9-173.164.3178.8177.20112.1L263 A281 K282 Y283 E288 Q289L263-K285 HydrophobicContact CD2-CB 3.79Å; L263-K285 HydrophobicContact CD2-CG 3.63Å; A281-K285 PolarHBondContact O-N 3.04Å; A281-K285 VanDerWaalsContact O-N 3.13Å; K282-K285 PolarHBondContact O-N 2.8Å; Y283-K285 VanDerWaalsContact C-N 3.28Å; Y283-K285 PolarHBondContact O-N 2.81Å; K285-E288 IonicContact NZ-OE2 2.66Å; K285-Q289 VanDerWaalsContact O-CG 3.24Å; K285-Q289 WeakPolarHBondContact O-CG 3.28Å; K285-Q289 PolarHBondContact O-N 3.13Å
286V96.1Very high89.8Confident0 Ų058.1 Ų58.10%028%0.284CS..Hα-helixtrans-63.6-47.4174.3177.80000111.3L263 K264 K282 Y283 R284 Q289 L290 L307 S311L263-V286 HydrophobicContact CB-CG2 3.9Å; L263-V286 HydrophobicContact CD2-CG2 3.78Å; L263-V286 HydrophobicContact CG-CG2 3.92Å; K264-V286 HydrophobicContact CB-CG2 4.37Å; K282-V286 PolarHBondContact O-N 2.95Å; Y283-V286 PolarHBondContact O-N 2.88Å; R284-V286 VanDerWaalsContact C-N 3.34Å; R284-V286 PolarHBondContact O-N 3.33Å; V286-Q289 PolarHBondContact O-N 3.36Å; V286-L290 HydrophobicContact CG1-CD1 3.69Å; V286-L290 HydrophobicContact CG1-CG 4.35Å; V286-L290 WeakPolarHBondContact O-CB 3.44Å; V286-L290 WeakPolarHBondContact O-CG 3.42Å; V286-L290 PolarHBondContact O-N 3.28Å; V286-L290 VanDerWaalsContact O-N 3.14Å; V286-L307 HydrophobicContact CG1-CG 4.34Å; V286-S311 WeakPolarHBondContact CG1-OG 3.46Å
287V96.5Very high89.3Confident10 Ų1059 Ų596%0.06129%0.289CS..Hα-helixtrans-62.4-46.9-178.9171.70000111.4Y283 R284 Q289 L290 E291 L308 L312 L315Y283-V287 WeakPolarHBondContact O-CG2 3.12Å; Y283-V287 PolarHBondContact O-N 2.84Å; R284-V287 PolarHBondContact O-N 2.71Å; V287-Q289 PolarHBondContact O-N 3.19Å; V287-L290 PolarHBondContact O-N 3.49Å; V287-E291 WeakPolarHBondContact O-CB 3.31Å; V287-E291 PolarHBondContact O-N 2.57Å; V287-L308 HydrophobicContact CB-CD1 4.43Å; V287-L308 HydrophobicContact CG1-CD1 4.33Å; V287-L308 HydrophobicContact CG2-CD1 4.22Å; V287-L312 HydrophobicContact CG1-CD2 3.71Å; V287-L312 HydrophobicContact CG1-CG 4.49Å; V287-L312 HydrophobicContact CG2-CD2 3.88Å; V287-L312 HydrophobicContact CG2-CG 4.04Å; V287-L315 HydrophobicContact CG2-CD2 4.24Å
288E93.8Very high89Confident127 Ų12759.5 Ų59.559%0.59329%0.293SS*.Hα-helixtrans-56.6-38.3178.5-177.8-171.6-160.600112.1R284 K285R284-E288 VanDerWaalsContact O-CB 3.28Å; R284-E288 WeakPolarHBondContact O-CB 3.5Å; R284-E288 PolarHBondContact O-N 2.85Å; K285-E288 IonicContact NZ-OE2 2.66Å
289Q91.1Very high88.8Confident59 Ų5964.3 Ų64.328%0.27632%0.319SS..Hα-helixtrans-83.5-21.1-177.5-64.2-60.2-53.900114Y260 K285 V286 V287 Y294Y260-Q289 HydrophobicContact CE1-CB 3.64Å; Y260-Q289 HydrophobicContact CE1-CG 3.86Å; Y260-Q289 HydrophobicContact CE2-CB 4.36Å; Y260-Q289 WeakPolarHBondContact OH-CB 3.43Å; K285-Q289 VanDerWaalsContact O-CG 3.24Å; K285-Q289 WeakPolarHBondContact O-CG 3.28Å; K285-Q289 PolarHBondContact O-N 3.13Å; V286-Q289 PolarHBondContact O-N 3.36Å; V287-Q289 PolarHBondContact O-N 3.19Å; Q289-Y294 VanDerWaalsContact O-CD2 3.27Å; Q289-Y294 WeakPolarHBondContact O-CD2 3.28Å
290L91.2Very high88.6Confident7 Ų765.1 Ų65.14%0.03732%0.324CS..Hα-helixtrans-102.14.5-175.6-66.7-175.8000114.2Y260 V286 V287 Y294 V304 L307 L308Y260-L290 HydrophobicContact CD2-CD1 4.47Å; Y260-L290 HydrophobicContact CD2-CD2 3.64Å; Y260-L290 HydrophobicContact CD2-CG 4.17Å; Y260-L290 HydrophobicContact CE2-CD2 3.7Å; Y260-L290 HydrophobicContact CE2-CG 4.43Å; V286-L290 HydrophobicContact CG1-CD1 3.69Å; V286-L290 HydrophobicContact CG1-CG 4.35Å; V286-L290 WeakPolarHBondContact O-CB 3.44Å; V286-L290 WeakPolarHBondContact O-CG 3.42Å; V286-L290 PolarHBondContact O-N 3.28Å; V286-L290 VanDerWaalsContact O-N 3.14Å; V287-L290 PolarHBondContact O-N 3.49Å; L290-Y294 HydrophobicContact CD2-CD1 4Å; L290-Y294 HydrophobicContact CD2-CD2 3.77Å; L290-Y294 HydrophobicContact CD2-CE1 3.96Å; L290-Y294 HydrophobicContact CD2-CE2 3.76Å; L290-Y294 HydrophobicContact CD2-CG 3.89Å; L290-V304 HydrophobicContact CD1-CG1 4.38Å; L290-V304 HydrophobicContact CD2-CG1 3.98Å; L290-L307 HydrophobicContact CD1-CB 4.44Å; L290-L307 HydrophobicContact CD1-CD2 3.96Å; L290-L307 HydrophobicContact CD1-CG 3.95Å; L290-L308 HydrophobicContact CB-CB 4.38Å; L290-L308 HydrophobicContact CB-CD1 4.11Å; L290-L308 HydrophobicContact CD1-CB 4.31Å
291E80.6Confident88.2Confident62 Ų6269.9 Ų69.929%0.2934%0.344SS..SBendtrans-129.2158-175.9-167.7178.8-163.200112.6V287 K334V287-E291 WeakPolarHBondContact O-CB 3.31Å; V287-E291 PolarHBondContact O-N 2.57Å; E291-K334 WeakPolarHBondContact OE1-CD 3.37Å; E291-K334 WeakPolarHBondContact OE1-CE 3.47Å; E291-K334 IonicContact OE1-NZ 3.79Å; E291-K334 PolarHBondContact OE1-NZ 3.08Å; E291-K334 WeakPolarHBondContact OE2-CE 3.19Å; E291-K334 IonicContact OE2-NZ 3.76Å; E291-K334 PolarHBondContact OE2-NZ 3.25Å
292P56.6Low88Confident112 Ų11274.1 Ų74.173%0.72736%0.357SS*.SBendcis-86.3-3-32.64.316.2000112.9
293D64.7Low87.8Confident148 Ų14877.4 Ų77.479%0.79137%0.371SS*.  trans-118.529.8-173-61.2-45.5000112.9Q295D293-Q295 VanDerWaalsContact C-N 3.31Å; D293-Q295 PolarHBondContact O-N 2.95Å
294Y75.4Confident87.7Confident38 Ų3878 Ų7815%0.14938%0.375CS..  trans-64.392.7179.6-171.7-97.9000110.6Y260 Q289 L290 T296 V304Y260-Y294 HydrophobicContact CE2-CE2 4.11Å; Q289-Y294 VanDerWaalsContact O-CD2 3.27Å; Q289-Y294 WeakPolarHBondContact O-CD2 3.28Å; L290-Y294 HydrophobicContact CD2-CD1 4Å; L290-Y294 HydrophobicContact CD2-CD2 3.77Å; L290-Y294 HydrophobicContact CD2-CE1 3.96Å; L290-Y294 HydrophobicContact CD2-CE2 3.76Å; L290-Y294 HydrophobicContact CD2-CG 3.89Å; Y294-T296 HydrophobicContact CD1-CG2 3.93Å; Y294-T296 HydrophobicContact CE1-CG2 3.88Å; Y294-T296 PolarHBondContact O-N 3.3Å; Y294-V304 HydrophobicContact CD1-CG1 3.78Å; Y294-V304 HydrophobicContact CD1-CG2 4.17Å; Y294-V304 HydrophobicContact CE1-CG1 4.14Å; Y294-V304 HydrophobicContact CE1-CG2 3.7Å
295Q79.1Confident87.5Confident176 Ų17675.5 Ų75.582%0.82237%0.373SS*.  trans-76116175.7-167171.712.200108.1D293D293-Q295 VanDerWaalsContact C-N 3.31Å; D293-Q295 PolarHBondContact O-N 2.95Å
296T84.2Confident87.5Confident17 Ų1774.9 Ų74.910%0.10438%0.376CS..  trans-139.8162.3178.8-162.20000111.2D253 Y294 L300 K301 V304D253-T296 WeakPolarHBondContact OD2-CA 3.33Å; D253-T296 PolarHBondContact OD2-OG1 3.28Å; Y294-T296 HydrophobicContact CD1-CG2 3.93Å; Y294-T296 HydrophobicContact CE1-CG2 3.88Å; Y294-T296 PolarHBondContact O-N 3.3Å; T296-L300 HydrophobicContact CG2-CB 4.3Å; T296-K301 HydrophobicContact CG2-CG 3.88Å; T296-V304 HydrophobicContact CG2-CG2 4.21Å
297K87Confident87.6Confident97 Ų9775.2 Ų75.242%0.42238%0.378SS..  trans-55.2145.9174.4-60.2175.6175.3167.10111.7D253 E254 D299 L300 K301D253-K297 PolarHBondContact OD2-N 3.11Å; D253-K297 VanDerWaalsContact OD2-N 3.09Å; E254-K297 VanDerWaalsContact CD-NZ 3.31Å; E254-K297 WeakPolarHBondContact OE1-CD 3.49Å; E254-K297 WeakPolarHBondContact OE1-CE 3.37Å; E254-K297 IonicContact OE1-NZ 2.71Å; E254-K297 PolarHBondContact OE1-NZ 2.86Å; E254-K297 IonicContact OE2-NZ 2.78Å; E254-K297 PolarHBondContact OE2-NZ 3.29Å; K297-D299 VanDerWaalsContact C-N 3.26Å; K297-D299 WeakPolarHBondContact CB-OD1 3.09Å; K297-D299 PolarHBondContact O-N 3.28Å; K297-L300 HydrophobicContact CB-CD1 4.38Å; K297-L300 HydrophobicContact CB-CG 4.48Å; K297-L300 PolarHBondContact O-N 3.33Å; K297-K301 PolarHBondContact O-N 2.95Å
298E90.5Very high87.6Confident140 Ų14075.7 Ų75.765%0.65438%0.38SS*.Hα-helixtrans-56.8-40-174.9-164.863.8-14800112.7L300 K301E298-L300 PolarHBondContact O-N 2.84Å; E298-K301 PolarHBondContact O-N 3.45Å; E298-K301 IonicContact OE1-NZ 3.45Å; E298-K301 PolarHBondContact OE1-NZ 3.22Å; E298-K301 WeakPolarHBondContact OE2-CE 3.34Å; E298-K301 IonicContact OE2-NZ 2.67Å; E298-K301 PolarHBondContact OE2-NZ 3.14Å
299D93.4Very high87.7Confident121 Ų12172.8 Ų72.865%0.64737%0.365SS*.Hα-helixtrans-67.5-18.2178.961.1-49.7000113.6K297K297-D299 VanDerWaalsContact C-N 3.26Å; K297-D299 WeakPolarHBondContact CB-OD1 3.09Å; K297-D299 PolarHBondContact O-N 3.28Å
300L93.7Very high88.1Confident17 Ų1771.5 Ų71.59%0.08937%0.365CS..Hα-helixtrans-98.4-13.4177.4-63.4177000113.6D253 E254 T296 K297 E298 E302 K303 V304D253-L300 HydrophobicContact CB-CD1 3.58Å; E254-L300 HydrophobicContact CG-CD1 4.13Å; T296-L300 HydrophobicContact CG2-CB 4.3Å; K297-L300 HydrophobicContact CB-CD1 4.38Å; K297-L300 HydrophobicContact CB-CG 4.48Å; K297-L300 PolarHBondContact O-N 3.33Å; E298-L300 PolarHBondContact O-N 2.84Å; L300-E302 VanDerWaalsContact C-N 3.34Å; L300-E302 PolarHBondContact O-N 3.26Å; L300-K303 WeakPolarHBondContact O-CB 3.46Å; L300-K303 PolarHBondContact O-N 3.27Å; L300-K303 VanDerWaalsContact O-N 3.13Å; L300-V304 WeakPolarHBondContact O-CG2 3.41Å; L300-V304 PolarHBondContact O-N 3.19Å
301K92.2Very high88.4Confident101 Ų10171.2 Ų71.244%0.43936%0.363SS..Hα-helixtrans-57.2-44-175.4-76.7-176178.5172.90113.2T296 K297 E298 V304 S305T296-K301 HydrophobicContact CG2-CG 3.88Å; K297-K301 PolarHBondContact O-N 2.95Å; E298-K301 PolarHBondContact O-N 3.45Å; E298-K301 IonicContact OE1-NZ 3.45Å; E298-K301 PolarHBondContact OE1-NZ 3.22Å; E298-K301 WeakPolarHBondContact OE2-CE 3.34Å; E298-K301 IonicContact OE2-NZ 2.67Å; E298-K301 PolarHBondContact OE2-NZ 3.14Å; K301-V304 PolarHBondContact O-N 2.86Å; K301-S305 VanDerWaalsContact O-CB 3.3Å; K301-S305 WeakPolarHBondContact O-CB 3.44Å; K301-S305 PolarHBondContact O-N 2.88Å
302E93.1Very high89.2Confident131 Ų13168.6 Ų68.661%0.61235%0.351SS*.Hα-helixtrans-65.6-44.2178.2-178.156.2-153.800111L300 V304 S305 V306L300-E302 VanDerWaalsContact C-N 3.34Å; L300-E302 PolarHBondContact O-N 3.26Å; E302-V304 VanDerWaalsContact C-N 3.33Å; E302-V304 PolarHBondContact O-N 3.39Å; E302-S305 WeakPolarHBondContact O-CB 3.33Å; E302-S305 PolarHBondContact O-N 3.32Å; E302-V306 WeakPolarHBondContact O-CG2 3.44Å; E302-V306 PolarHBondContact O-N 3.01Å; E302-V306 WeakPolarHBondContact OE1-CG2 3.34Å
303K94.3Very high91.3Very high80 Ų8064 Ų6435%0.34832%0.32SS..Hα-helixtrans-59.4-44.6177.5-171.8174.7178.5-171.20111.4V257 E261 L300 V306 L307V257-K303 HydrophobicContact CG1-CD 3.76Å; V257-K303 HydrophobicContact CG1-CG 4.04Å; E261-K303 VanDerWaalsContact CD-NZ 3.34Å; E261-K303 WeakPolarHBondContact OE1-CE 3.37Å; E261-K303 IonicContact OE1-NZ 3.27Å; E261-K303 PolarHBondContact OE1-NZ 3.31Å; E261-K303 VanDerWaalsContact OE2-CE 3.23Å; E261-K303 WeakPolarHBondContact OE2-CE 3.28Å; E261-K303 IonicContact OE2-NZ 2.57Å; E261-K303 PolarHBondContact OE2-NZ 2.94Å; L300-K303 WeakPolarHBondContact O-CB 3.46Å; L300-K303 PolarHBondContact O-N 3.27Å; L300-K303 VanDerWaalsContact O-N 3.13Å; K303-V306 PolarHBondContact O-N 2.94Å; K303-L307 VanDerWaalsContact O-CB 3.28Å; K303-L307 WeakPolarHBondContact O-CB 3.19Å; K303-L307 PolarHBondContact O-N 3.09Å
304V94.7Very high92.9Very high11 Ų1158.6 Ų58.67%0.06729%0.291CS..Hα-helixtrans-64.7-43.3175.6168.60000111.6V257 L290 Y294 T296 L300 K301 E302 V306 L307 L308V257-V304 HydrophobicContact CG2-CG2 3.65Å; L290-V304 HydrophobicContact CD1-CG1 4.38Å; L290-V304 HydrophobicContact CD2-CG1 3.98Å; Y294-V304 HydrophobicContact CD1-CG1 3.78Å; Y294-V304 HydrophobicContact CD1-CG2 4.17Å; Y294-V304 HydrophobicContact CE1-CG1 4.14Å; Y294-V304 HydrophobicContact CE1-CG2 3.7Å; T296-V304 HydrophobicContact CG2-CG2 4.21Å; L300-V304 WeakPolarHBondContact O-CG2 3.41Å; L300-V304 PolarHBondContact O-N 3.19Å; K301-V304 PolarHBondContact O-N 2.86Å; E302-V304 VanDerWaalsContact C-N 3.33Å; E302-V304 PolarHBondContact O-N 3.39Å; V304-V306 PolarHBondContact O-N 2.85Å; V304-L307 PolarHBondContact O-N 3.45Å; V304-L308 WeakPolarHBondContact O-CB 3.49Å; V304-L308 PolarHBondContact O-N 2.92Å
305S94.1Very high94Very high50 Ų5056.8 Ų56.835%0.3528%0.284SS..Hα-helixtrans-59.3-46.8177-176.60000111.7K301 E302 K309K301-S305 VanDerWaalsContact O-CB 3.3Å; K301-S305 WeakPolarHBondContact O-CB 3.44Å; K301-S305 PolarHBondContact O-N 2.88Å; E302-S305 WeakPolarHBondContact O-CB 3.33Å; E302-S305 PolarHBondContact O-N 3.32Å; S305-K309 WeakPolarHBondContact O-CB 3.42Å; S305-K309 PolarHBondContact O-N 3.28Å
306V95.9Very high94.9Very high69 Ų6948.5 Ų48.542%0.41825%0.246SC..Hα-helixtrans-62.7-44.2175.8172.40000111.2E302 K303 V304 K309 A310E302-V306 WeakPolarHBondContact O-CG2 3.44Å; E302-V306 PolarHBondContact O-N 3.01Å; E302-V306 WeakPolarHBondContact OE1-CG2 3.34Å; K303-V306 PolarHBondContact O-N 2.94Å; V304-V306 PolarHBondContact O-N 2.85Å; V306-K309 PolarHBondContact O-N 2.89Å; V306-A310 WeakPolarHBondContact O-CB 3.21Å; V306-A310 PolarHBondContact O-N 3.33Å
307L96.7Very high95.6Very high7 Ų749.5 Ų49.54%0.03725%0.25CS..Hα-helixtrans-63.9-45.9179.2179.156.4000112.3V257 E261 K264 V286 L290 K303 V304 A310 S311V257-L307 HydrophobicContact CG1-CD2 4.44Å; E261-L307 HydrophobicContact CG-CD1 4.15Å; E261-L307 HydrophobicContact CG-CD2 3.92Å; K264-L307 HydrophobicContact CB-CD1 4.08Å; K264-L307 HydrophobicContact CD-CD1 3.72Å; K264-L307 HydrophobicContact CG-CD1 4.34Å; V286-L307 HydrophobicContact CG1-CG 4.34Å; L290-L307 HydrophobicContact CD1-CB 4.44Å; L290-L307 HydrophobicContact CD1-CD2 3.96Å; L290-L307 HydrophobicContact CD1-CG 3.95Å; K303-L307 VanDerWaalsContact O-CB 3.28Å; K303-L307 WeakPolarHBondContact O-CB 3.19Å; K303-L307 PolarHBondContact O-N 3.09Å; V304-L307 PolarHBondContact O-N 3.45Å; L307-A310 PolarHBondContact O-N 2.7Å; L307-S311 WeakPolarHBondContact O-CB 3.45Å; L307-S311 PolarHBondContact O-N 2.69Å; L307-S311 PolarHBondContact O-OG 2.93Å
308L96.5Very high96.2Very high20 Ų2044.9 Ų44.911%0.10523%0.23CC..Hα-helixtrans-62.6-47.3176.7175.859.2000110.7V287 L290 V304 A310 S311 L312V287-L308 HydrophobicContact CB-CD1 4.43Å; V287-L308 HydrophobicContact CG1-CD1 4.33Å; V287-L308 HydrophobicContact CG2-CD1 4.22Å; L290-L308 HydrophobicContact CB-CB 4.38Å; L290-L308 HydrophobicContact CB-CD1 4.11Å; L290-L308 HydrophobicContact CD1-CB 4.31Å; V304-L308 WeakPolarHBondContact O-CB 3.49Å; V304-L308 PolarHBondContact O-N 2.92Å; L308-A310 PolarHBondContact O-N 2.86Å; L308-S311 PolarHBondContact O-N 2.88Å; L308-L312 HydrophobicContact CD1-CD1 3.97Å; L308-L312 HydrophobicContact CD1-CG 3.99Å; L308-L312 HydrophobicContact CG-CD1 3.92Å; L308-L312 HydrophobicContact CG-CG 4.4Å; L308-L312 WeakPolarHBondContact O-CB 3.43Å; L308-L312 WeakPolarHBondContact O-CG 3.23Å; L308-L312 PolarHBondContact O-N 2.84Å
309K97.2Very high96.6Very high66 Ų6638.2 Ų38.229%0.28720%0.199SC..Hα-helixtrans-56.8-48.3175.9176173.561.6-178.60111.7S305 V306 S311 L312 L313 V335 E339S305-K309 WeakPolarHBondContact O-CB 3.42Å; S305-K309 PolarHBondContact O-N 3.28Å; V306-K309 PolarHBondContact O-N 2.89Å; K309-S311 VanDerWaalsContact C-N 3.3Å; K309-S311 PolarHBondContact O-N 3.38Å; K309-L312 PolarHBondContact O-N 3.38Å; K309-L313 HydrophobicContact CG-CD1 4.03Å; K309-L313 VanDerWaalsContact O-CB 3.31Å; K309-L313 WeakPolarHBondContact O-CB 3.32Å; K309-L313 VanDerWaalsContact O-CG 3.32Å; K309-L313 WeakPolarHBondContact O-CG 3.36Å; K309-L313 PolarHBondContact O-N 3.46Å; K309-V335 HydrophobicContact CG-CG1 4.41Å; K309-E339 WeakPolarHBondContact CD-OE1 3.24Å; K309-E339 WeakPolarHBondContact CD-OE2 3.45Å; K309-E339 WeakPolarHBondContact CE-OE1 3.29Å; K309-E339 IonicContact NZ-OE1 2.74Å; K309-E339 PolarHBondContact NZ-OE1 3.33Å; K309-E339 IonicContact NZ-OE2 3.76Å
310A98.2Very high96.8Very high32 Ų3233.9 Ų33.926%0.26418%0.177SC..Hα-helixtrans-61.7-40.3179.200000111.9K264 V306 L307 L308 N314K264-A310 HydrophobicContact CD-CB 4.19Å; V306-A310 WeakPolarHBondContact O-CB 3.21Å; V306-A310 PolarHBondContact O-N 3.33Å; L307-A310 PolarHBondContact O-N 2.7Å; L308-A310 PolarHBondContact O-N 2.86Å; A310-N314 WeakPolarHBondContact O-CB 3.29Å; A310-N314 VanDerWaalsContact O-CG 3.29Å; A310-N314 PolarHBondContact O-N 3.29Å
311S98.5Very high97Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-69.6-44.4179.7-56.30000112.2V286 L307 L308 K309 L313 N314 L315V286-S311 WeakPolarHBondContact CG1-OG 3.46Å; L307-S311 WeakPolarHBondContact O-CB 3.45Å; L307-S311 PolarHBondContact O-N 2.69Å; L307-S311 PolarHBondContact O-OG 2.93Å; L308-S311 PolarHBondContact O-N 2.88Å; K309-S311 VanDerWaalsContact C-N 3.3Å; K309-S311 PolarHBondContact O-N 3.38Å; S311-L313 PolarHBondContact O-N 3.3Å; S311-N314 PolarHBondContact O-N 3.39Å; S311-L315 VanDerWaalsContact O-CB 3.22Å; S311-L315 WeakPolarHBondContact O-CB 3.16Å; S311-L315 PolarHBondContact O-N 3.44Å
312L98.5Very high97.3Very high7 Ų736.4 Ų36.44%0.03719%0.189CC..Hα-helixtrans-58.9-47.1173.8-76.5168.1000111.7V287 L308 K309 L315 A316 C331 K334 V335V287-L312 HydrophobicContact CG1-CD2 3.71Å; V287-L312 HydrophobicContact CG1-CG 4.49Å; V287-L312 HydrophobicContact CG2-CD2 3.88Å; V287-L312 HydrophobicContact CG2-CG 4.04Å; L308-L312 HydrophobicContact CD1-CD1 3.97Å; L308-L312 HydrophobicContact CD1-CG 3.99Å; L308-L312 HydrophobicContact CG-CD1 3.92Å; L308-L312 HydrophobicContact CG-CG 4.4Å; L308-L312 WeakPolarHBondContact O-CB 3.43Å; L308-L312 WeakPolarHBondContact O-CG 3.23Å; L308-L312 PolarHBondContact O-N 2.84Å; K309-L312 PolarHBondContact O-N 3.38Å; L312-L315 PolarHBondContact O-N 3.05Å; L312-A316 WeakPolarHBondContact O-CB 3.45Å; L312-A316 PolarHBondContact O-N 2.79Å; L312-C331 HydrophobicContact CD2-CB 4.25Å; L312-K334 HydrophobicContact CD1-CB 3.95Å; L312-K334 HydrophobicContact CD2-CB 4.38Å; L312-K334 HydrophobicContact CD2-CD 3.8Å; L312-V335 HydrophobicContact CB-CG2 3.76Å; L312-V335 HydrophobicContact CD1-CG2 3.99Å
313L98.7Very high97.4Very high16 Ų1635.8 Ų35.88%0.08419%0.19CC..Hα-helixtrans-60.2-50.1178-80.2179000110.7K309 S311 A316 L317 V335 K344 A345 R348K309-L313 HydrophobicContact CG-CD1 4.03Å; K309-L313 VanDerWaalsContact O-CB 3.31Å; K309-L313 WeakPolarHBondContact O-CB 3.32Å; K309-L313 VanDerWaalsContact O-CG 3.32Å; K309-L313 WeakPolarHBondContact O-CG 3.36Å; K309-L313 PolarHBondContact O-N 3.46Å; S311-L313 PolarHBondContact O-N 3.3Å; L313-A316 PolarHBondContact O-N 2.94Å; L313-L317 PolarHBondContact O-N 3.22Å; L313-L317 VanDerWaalsContact O-N 3.1Å; L313-V335 HydrophobicContact CD2-CG1 4.26Å; L313-V335 HydrophobicContact CD2-CG2 4.28Å; L313-V335 HydrophobicContact CG-CG1 4.48Å; L313-V335 HydrophobicContact CG-CG2 4.19Å; L313-K344 HydrophobicContact CD2-CB 4.02Å; L313-A345 HydrophobicContact CD2-CB 3.9Å; L313-R348 VanDerWaalsContact CB-NH1 3.33Å; L313-R348 PolarHBondContact O-NH1 2.76Å
314N98.7Very high97.6Very high34 Ų3435.2 Ų35.218%0.18219%0.189CC..Hα-helixtrans-67.5-37.3-179.4-71.5-11.6000112.5Y283 A310 S311 L317 V318Y283-N314 HydrophobicContact CD1-CB 4.18Å; Y283-N314 HydrophobicContact CD2-CB 4.01Å; Y283-N314 HydrophobicContact CE1-CB 3.77Å; Y283-N314 HydrophobicContact CE2-CB 3.58Å; Y283-N314 HydrophobicContact CG-CB 4.29Å; Y283-N314 VanDerWaalsContact CZ-CB 3.44Å; Y283-N314 PolarHBondContact OH-ND2 3.48Å; A310-N314 WeakPolarHBondContact O-CB 3.29Å; A310-N314 VanDerWaalsContact O-CG 3.29Å; A310-N314 PolarHBondContact O-N 3.29Å; S311-N314 PolarHBondContact O-N 3.39Å; N314-L317 WeakPolarHBondContact O-CB 3.41Å; N314-L317 PolarHBondContact O-N 2.87Å; N314-V318 WeakPolarHBondContact O-CG2 3.4Å; N314-V318 PolarHBondContact O-N 2.93Å
315L98.7Very high97.8Very high1 Ų135.6 Ų35.61%0.00519%0.191CC..Hα-helixtrans-59.9-46.7172.3-178.454.3000110.9A280 R284 V287 S311 L312 L317 V318 C319A280-L315 HydrophobicContact CB-CD1 4.22Å; R284-L315 HydrophobicContact CG-CD1 3.7Å; R284-L315 HydrophobicContact CG-CD2 3.75Å; R284-L315 HydrophobicContact CG-CG 4.41Å; V287-L315 HydrophobicContact CG2-CD2 4.24Å; S311-L315 VanDerWaalsContact O-CB 3.22Å; S311-L315 WeakPolarHBondContact O-CB 3.16Å; S311-L315 PolarHBondContact O-N 3.44Å; L312-L315 PolarHBondContact O-N 3.05Å; L315-L317 VanDerWaalsContact C-N 3.31Å; L315-L317 PolarHBondContact O-N 2.89Å; L315-V318 PolarHBondContact O-N 2.73Å; L315-V318 VanDerWaalsContact O-N 3.12Å; L315-C319 WeakPolarHBondContact O-CB 3.4Å; L315-C319 PolarHBondContact O-N 2.81Å; L315-C319 PolarHBondContact O-SG 2.8Å; L315-C319 VanDerWaalsContact O-SG 3.39Å
316A98.8Very high98Very high1 Ų137.2 Ų37.21%0.00820%0.198CC..Hα-helixtrans-57.4-43.1176.400000112.3L312 L313 V318 C319 V320 C331 R348L312-A316 WeakPolarHBondContact O-CB 3.45Å; L312-A316 PolarHBondContact O-N 2.79Å; L313-A316 PolarHBondContact O-N 2.94Å; A316-V318 PolarHBondContact O-N 2.99Å; A316-C319 PolarHBondContact O-N 2.91Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 3.15Å; A316-C331 HydrophobicContact CB-CB 3.81Å; A316-R348 HydrophobicContact CB-CB 4.48Å
317L98.7Very high98.1Very high39 Ų3936.9 Ų36.920%0.20419%0.193CC..Hα-helixtrans-60.1-47.1175.6175.160.6000111.7L271 L313 N314 L315 V320 K321L271-L317 HydrophobicContact CD1-CD2 4.31Å; L271-L317 HydrophobicContact CD2-CD2 4.05Å; L313-L317 PolarHBondContact O-N 3.22Å; L313-L317 VanDerWaalsContact O-N 3.1Å; N314-L317 WeakPolarHBondContact O-CB 3.41Å; N314-L317 PolarHBondContact O-N 2.87Å; L315-L317 VanDerWaalsContact C-N 3.31Å; L315-L317 PolarHBondContact O-N 2.89Å; L317-V320 PolarHBondContact O-N 2.8Å; L317-K321 WeakPolarHBondContact O-CG 3.07Å; L317-K321 PolarHBondContact O-N 2.96Å
318V98.7Very high98.2Very high0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-65.4-43.4-179.51730000111L271 Y276 A279 A280 Y283 N314 L315 A316 V320 K321 L322L271-V318 HydrophobicContact CD1-CG2 3.87Å; Y276-V318 WeakPolarHBondContact O-CG1 3.2Å; A279-V318 HydrophobicContact CB-CG1 4.35Å; A279-V318 HydrophobicContact CB-CG2 3.93Å; A280-V318 HydrophobicContact CB-CG1 3.68Å; Y283-V318 HydrophobicContact CD2-CG2 4.2Å; Y283-V318 HydrophobicContact CE2-CG2 3.94Å; N314-V318 WeakPolarHBondContact O-CG2 3.4Å; N314-V318 PolarHBondContact O-N 2.93Å; L315-V318 PolarHBondContact O-N 2.73Å; L315-V318 VanDerWaalsContact O-N 3.12Å; A316-V318 PolarHBondContact O-N 2.99Å; V318-V320 VanDerWaalsContact C-N 3.33Å; V318-V320 PolarHBondContact O-N 3.14Å; V318-K321 WeakPolarHBondContact O-CA 3.21Å; V318-K321 WeakPolarHBondContact O-CB 3.33Å; V318-K321 PolarHBondContact O-N 3.38Å; V318-L322 HydrophobicContact CG1-CD1 3.91Å; V318-L322 HydrophobicContact CG1-CG 4.44Å; V318-L322 WeakPolarHBondContact O-CG 3.33Å; V318-L322 PolarHBondContact O-N 2.73Å
319C98.7Very high98.3Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-61-39.8176.8-73.50000111.8L315 A316 K321 L322 N323 E324 A328L315-C319 WeakPolarHBondContact O-CB 3.4Å; L315-C319 PolarHBondContact O-N 2.81Å; L315-C319 PolarHBondContact O-SG 2.8Å; L315-C319 VanDerWaalsContact O-SG 3.39Å; A316-C319 PolarHBondContact O-N 2.91Å; C319-K321 VanDerWaalsContact C-N 3.31Å; C319-K321 PolarHBondContact O-N 2.95Å; C319-L322 CarbonylContact O-C 3.55Å; C319-L322 PolarHBondContact O-N 3.04Å; C319-L322 VanDerWaalsContact O-N 3.15Å; C319-N323 PolarHBondContact O-N 3.35Å; C319-E324 HydrophobicContact CB-CB 3.96Å; C319-E324 PolarHBondContact O-N 3.45Å; C319-E324 PolarHBondContact SG-OE2 3.28Å; C319-A328 HydrophobicContact CB-CB 3.75Å
320V98.3Very high98.4Very high30 Ų3038.7 Ų38.718%0.18220%0.2CC..Hα-helixtrans-58.7-42.3171.1169.70000111.3A316 L317 V318 L322 N323 A328 Q351 A352A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 3.15Å; L317-V320 PolarHBondContact O-N 2.8Å; V318-V320 VanDerWaalsContact C-N 3.33Å; V318-V320 PolarHBondContact O-N 3.14Å; V320-L322 VanDerWaalsContact C-N 3.28Å; V320-L322 PolarHBondContact O-N 3.26Å; V320-N323 PolarHBondContact O-N 2.63Å; V320-A328 HydrophobicContact CG2-CB 3.85Å; V320-Q351 HydrophobicContact CG1-CB 3.98Å; V320-Q351 HydrophobicContact CG2-CB 4.36Å; V320-A352 HydrophobicContact CG2-CB 4.08Å
321K97.9Very high98.4Very high121 Ų12137.1 Ų37.153%0.52619%0.187SC..Hα-helixtrans-67.3-27.3177.2-65.2-64-176.9179.30113.6Y276 L317 V318 C319Y276-K321 HydrophobicContact CD1-CB 4.09Å; Y276-K321 HydrophobicContact CD1-CG 4.34Å; Y276-K321 HydrophobicContact CD2-CB 3.82Å; Y276-K321 HydrophobicContact CE1-CB 4.15Å; Y276-K321 HydrophobicContact CE1-CG 4Å; Y276-K321 HydrophobicContact CE2-CB 3.87Å; Y276-K321 HydrophobicContact CE2-CG 4.28Å; Y276-K321 HydrophobicContact CG-CB 3.94Å; L317-K321 WeakPolarHBondContact O-CG 3.07Å; L317-K321 PolarHBondContact O-N 2.96Å; V318-K321 WeakPolarHBondContact O-CA 3.21Å; V318-K321 WeakPolarHBondContact O-CB 3.33Å; V318-K321 PolarHBondContact O-N 3.38Å; C319-K321 VanDerWaalsContact C-N 3.31Å; C319-K321 PolarHBondContact O-N 2.95Å
322L97.6Very high98.4Very high50 Ų5037.1 Ų37.126%0.26219%0.187SC..THydrogen-bonded Turntrans-89.2-0.1176.3-68172.2000113.4K277 A280 V318 C319 V320 E324K277-L322 HydrophobicContact CG-CD2 4.02Å; A280-L322 HydrophobicContact CB-CD1 4.05Å; V318-L322 HydrophobicContact CG1-CD1 3.91Å; V318-L322 HydrophobicContact CG1-CG 4.44Å; V318-L322 WeakPolarHBondContact O-CG 3.33Å; V318-L322 PolarHBondContact O-N 2.73Å; C319-L322 CarbonylContact O-C 3.55Å; C319-L322 PolarHBondContact O-N 3.04Å; C319-L322 VanDerWaalsContact O-N 3.15Å; V320-L322 VanDerWaalsContact C-N 3.28Å; V320-L322 PolarHBondContact O-N 3.26Å; L322-E324 HydrophobicContact CB-CB 4.5Å; L322-E324 HydrophobicContact CB-CG 3.88Å; L322-E324 PolarHBondContact O-N 2.73Å
323N97.2Very high98.4Very high117 Ų11739.9 Ų39.963%0.62620%0.202SC*.THydrogen-bonded Turntrans58.623.1-170.5-160.844.9000113.9C319 V320 T325C319-N323 PolarHBondContact O-N 3.35Å; V320-N323 PolarHBondContact O-N 2.63Å; N323-T325 PolarHBondContact O-N 3.27Å
324E98Very high98.3Very high69 Ų6942.7 Ų42.732%0.32221%0.214SC..  trans-83.863.2173.3-65.6178.5164.800109.6R284 C319 L322 V326 E327 A328R284-E324 IonicContact CZ-OE2 3.02Å; R284-E324 VanDerWaalsContact NH2-CD 3.3Å; R284-E324 IonicContact NH2-OE1 2.69Å; R284-E324 PolarHBondContact NH2-OE1 2.88Å; R284-E324 IonicContact NH2-OE2 3.95Å; R284-E324 PolarHBondContact NH2-OE2 2.68Å; C319-E324 HydrophobicContact CB-CB 3.96Å; C319-E324 PolarHBondContact O-N 3.45Å; C319-E324 PolarHBondContact SG-OE2 3.28Å; L322-E324 HydrophobicContact CB-CB 4.5Å; L322-E324 HydrophobicContact CB-CG 3.88Å; L322-E324 PolarHBondContact O-N 2.73Å; E324-V326 PolarHBondContact O-N 3.28Å; E324-E327 PolarHBondContact O-N 2.75Å; E324-A328 PolarHBondContact O-N 3.42Å; E324-A328 VanDerWaalsContact O-N 3.16Å
325T98.2Very high98.3Very high19 Ų1941.4 Ų41.412%0.11721%0.207CC..Hα-helixtrans-63.7-38-166.953.70000113.7N323 E327 A328 I329 A352 Q356N323-T325 PolarHBondContact O-N 3.27Å; T325-E327 PolarHBondContact O-N 2.92Å; T325-A328 PolarHBondContact O-N 3.13Å; T325-I329 WeakPolarHBondContact O-CG1 3.26Å; T325-I329 PolarHBondContact O-N 2.97Å; T325-A352 HydrophobicContact CG2-CB 4.5Å; T325-A352 WeakPolarHBondContact CG2-O 3.3Å; T325-Q356 HydrophobicContact CG2-CG 4.24Å; T325-Q356 WeakPolarHBondContact OG1-CG 3.35Å; T325-Q356 PolarHBondContact OG1-NE2 2.99Å
326V98.4Very high98.2Very high83 Ų8342 Ų4250%0.50321%0.21SC..Hα-helixtrans-60.6-44.4179.7176.20000111.5E324 I329 K330E324-V326 PolarHBondContact O-N 3.28Å; V326-I329 PolarHBondContact O-N 3.25Å; V326-K330 WeakPolarHBondContact O-CG 3.3Å; V326-K330 PolarHBondContact O-N 3.42Å; V326-K330 VanDerWaalsContact O-N 3.15Å
327E98.2Very high98.1Very high63 Ų6345.1 Ų45.129%0.29424%0.243SC..Hα-helixtrans-72.7-36.8-179.2-167.159.8-156.900111.5E324 T325 I329 K330 C331E324-E327 PolarHBondContact O-N 2.75Å; T325-E327 PolarHBondContact O-N 2.92Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 2.78Å; E327-K330 PolarHBondContact O-N 2.73Å; E327-C331 PolarHBondContact O-N 2.92Å; E327-C331 PolarHBondContact O-SG 3.45Å
328A98.7Very high98Very high0 Ų050.8 Ų50.80%027%0.266CS..Hα-helixtrans-58-45.6173.100000112C319 V320 E324 T325 C331 C332 A352C319-A328 HydrophobicContact CB-CB 3.75Å; V320-A328 HydrophobicContact CG2-CB 3.85Å; E324-A328 PolarHBondContact O-N 3.42Å; E324-A328 VanDerWaalsContact O-N 3.16Å; T325-A328 PolarHBondContact O-N 3.13Å; A328-C331 PolarHBondContact O-N 3.28Å; A328-C332 PolarHBondContact O-N 2.81Å; A328-C332 PolarHBondContact O-SG 3.3Å; A328-C332 VanDerWaalsContact O-SG 3.35Å; A328-A352 HydrophobicContact CB-CB 3.8Å
329I98.8Very high97.9Very high23 Ų2353.9 Ų53.912%0.11828%0.28CS..Hα-helixtrans-61-49.7177.5-68167000110.4T325 V326 E327 C331 C332 D333 R349 A352 R353T325-I329 WeakPolarHBondContact O-CG1 3.26Å; T325-I329 PolarHBondContact O-N 2.97Å; V326-I329 PolarHBondContact O-N 3.25Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 2.78Å; I329-C331 VanDerWaalsContact C-N 3.31Å; I329-C331 PolarHBondContact O-N 3.19Å; I329-C332 WeakPolarHBondContact O-CB 3.31Å; I329-C332 PolarHBondContact O-N 2.83Å; I329-C332 VanDerWaalsContact O-N 3.07Å; I329-D333 WeakPolarHBondContact CG2-OD2 3.37Å; I329-D333 PolarHBondContact O-N 3.21Å; I329-R349 HydrophobicContact CB-CG 4.49Å; I329-R349 HydrophobicContact CG1-CG 4.19Å; I329-R349 HydrophobicContact CG2-CG 4.24Å; I329-A352 HydrophobicContact CD1-CB 4.3Å; I329-A352 HydrophobicContact CG1-CB 3.7Å; I329-R353 HydrophobicContact CD1-CG 3.85Å; I329-R353 HydrophobicContact CG1-CG 4.3Å
330K98.3Very high97.9Very high107 Ų10758.5 Ų58.547%0.46531%0.31SS..Hα-helixtrans-56-43.8177.4-73.3175-179.51770112.6V326 E327 C332 D333 K334V326-K330 WeakPolarHBondContact O-CG 3.3Å; V326-K330 PolarHBondContact O-N 3.42Å; V326-K330 VanDerWaalsContact O-N 3.15Å; E327-K330 PolarHBondContact O-N 2.73Å; K330-C332 VanDerWaalsContact C-N 3.34Å; K330-C332 PolarHBondContact O-N 2.99Å; K330-D333 PolarHBondContact O-N 2.78Å; K330-K334 WeakPolarHBondContact O-CG 3.48Å; K330-K334 PolarHBondContact O-N 2.82Å; K330-K334 VanDerWaalsContact O-N 3.16Å
331C98.4Very high97.8Very high0 Ų060.8 Ų60.80%033%0.327CS..Hα-helixtrans-62.4-42177.3-70.30000111.8L312 A316 E327 A328 I329 V335L312-C331 HydrophobicContact CD2-CB 4.25Å; A316-C331 HydrophobicContact CB-CB 3.81Å; E327-C331 PolarHBondContact O-N 2.92Å; E327-C331 PolarHBondContact O-SG 3.45Å; A328-C331 PolarHBondContact O-N 3.28Å; I329-C331 VanDerWaalsContact C-N 3.31Å; I329-C331 PolarHBondContact O-N 3.19Å; C331-V335 PolarHBondContact O-N 3.16Å
332C98.7Very high97.8Very high0 Ų056 Ų560%031%0.308CS..Hα-helixtrans-67.7-42.7176.6-69.80000112.5A328 I329 K330 K334 V335 L336 A345 R349A328-C332 PolarHBondContact O-N 2.81Å; A328-C332 PolarHBondContact O-SG 3.3Å; A328-C332 VanDerWaalsContact O-SG 3.35Å; I329-C332 WeakPolarHBondContact O-CB 3.31Å; I329-C332 PolarHBondContact O-N 2.83Å; I329-C332 VanDerWaalsContact O-N 3.07Å; K330-C332 VanDerWaalsContact C-N 3.34Å; K330-C332 PolarHBondContact O-N 2.99Å; C332-K334 VanDerWaalsContact C-N 3.29Å; C332-K334 PolarHBondContact O-N 2.86Å; C332-V335 PolarHBondContact O-N 3.36Å; C332-V335 VanDerWaalsContact O-N 3.09Å; C332-L336 HydrophobicContact CB-CD1 4.5Å; C332-L336 WeakPolarHBondContact O-CB 3.39Å; C332-L336 WeakPolarHBondContact O-CG 3.35Å; C332-L336 PolarHBondContact O-N 3.49Å; C332-A345 HydrophobicContact CB-CB 4.33Å; C332-A345 PolarHBondContact SG-O 2.86Å; C332-A345 VanDerWaalsContact SG-O 3.37Å; C332-R349 HydrophobicContact CB-CB 3.69Å; C332-R349 HydrophobicContact CB-CG 4.13Å
333D98.5Very high97.9Very high65 Ų6555 Ų5535%0.34830%0.303SS..Hα-helixtrans-60.1-39.2179.4-71.3-20.5000111.8I329 K330 V335 L336 G337 R349I329-D333 WeakPolarHBondContact CG2-OD2 3.37Å; I329-D333 PolarHBondContact O-N 3.21Å; K330-D333 PolarHBondContact O-N 2.78Å; D333-V335 VanDerWaalsContact C-N 3.33Å; D333-V335 PolarHBondContact O-N 3.42Å; D333-L336 PolarHBondContact O-N 3.08Å; D333-G337 PolarHBondContact O-N 3.44Å; D333-R349 WeakPolarHBondContact OD1-CD 3.5Å; D333-R349 IonicContact OD1-CZ 3.89Å; D333-R349 IonicContact OD1-NE 3.52Å; D333-R349 IonicContact OD1-NH1 2.69Å; D333-R349 PolarHBondContact OD1-NH1 3.07Å
334K96.7Very high97.9Very high75 Ų7555.5 Ų55.533%0.32630%0.3SS..Hα-helixtrans-59.9-40.8173.9-72.3169.8179.4-173.20112.8E291 L312 K330 C332E291-K334 WeakPolarHBondContact OE1-CD 3.37Å; E291-K334 WeakPolarHBondContact OE1-CE 3.47Å; E291-K334 IonicContact OE1-NZ 3.79Å; E291-K334 PolarHBondContact OE1-NZ 3.08Å; E291-K334 WeakPolarHBondContact OE2-CE 3.19Å; E291-K334 IonicContact OE2-NZ 3.76Å; E291-K334 PolarHBondContact OE2-NZ 3.25Å; L312-K334 HydrophobicContact CD1-CB 3.95Å; L312-K334 HydrophobicContact CD2-CB 4.38Å; L312-K334 HydrophobicContact CD2-CD 3.8Å; K330-K334 WeakPolarHBondContact O-CG 3.48Å; K330-K334 PolarHBondContact O-N 2.82Å; K330-K334 VanDerWaalsContact O-N 3.16Å; C332-K334 VanDerWaalsContact C-N 3.29Å; C332-K334 PolarHBondContact O-N 2.86Å
335V98Very high98Very high6 Ų652.2 Ų52.24%0.03629%0.285CS..Hα-helixtrans-71.4-46.8176.8178.10000110.4K309 L312 L313 C331 C332 D333 G337 K338 E339 N342 A345K309-V335 HydrophobicContact CG-CG1 4.41Å; L312-V335 HydrophobicContact CB-CG2 3.76Å; L312-V335 HydrophobicContact CD1-CG2 3.99Å; L313-V335 HydrophobicContact CD2-CG1 4.26Å; L313-V335 HydrophobicContact CD2-CG2 4.28Å; L313-V335 HydrophobicContact CG-CG1 4.48Å; L313-V335 HydrophobicContact CG-CG2 4.19Å; C331-V335 PolarHBondContact O-N 3.16Å; C332-V335 PolarHBondContact O-N 3.36Å; C332-V335 VanDerWaalsContact O-N 3.09Å; D333-V335 VanDerWaalsContact C-N 3.33Å; D333-V335 PolarHBondContact O-N 3.42Å; V335-G337 VanDerWaalsContact C-N 3.28Å; V335-G337 PolarHBondContact O-N 2.93Å; V335-K338 PolarHBondContact O-N 3.28Å; V335-K338 VanDerWaalsContact O-N 3.09Å; V335-E339 PolarHBondContact O-N 3.18Å; V335-N342 HydrophobicContact CG1-CB 4.07Å; V335-A345 HydrophobicContact CB-CB 4.15Å; V335-A345 HydrophobicContact CG1-CB 4.03Å
336L98.3Very high98Very high14 Ų1451.7 Ų51.77%0.07328%0.281CS..Hα-helixtrans-68.1-25.8-177.4-68.1168.4000113.1C332 D333 K338 E339 P340 N342 A345 L346 R349C332-L336 HydrophobicContact CB-CD1 4.5Å; C332-L336 WeakPolarHBondContact O-CB 3.39Å; C332-L336 WeakPolarHBondContact O-CG 3.35Å; C332-L336 PolarHBondContact O-N 3.49Å; D333-L336 PolarHBondContact O-N 3.08Å; L336-K338 PolarHBondContact O-N 3.37Å; L336-E339 CarbonylContact O-C 3.48Å; L336-P340 WeakPolarHBondContact CD2-O 3.28Å; L336-P340 WeakPolarHBondContact O-CA 3.36Å; L336-P340 WeakPolarHBondContact O-CD 3.44Å; L336-P340 WeakPolarHBondContact O-CG 3.29Å; L336-N342 HydrophobicContact CD2-CB 4.26Å; L336-A345 HydrophobicContact CD1-CB 4.19Å; L336-A345 HydrophobicContact CD2-CB 3.8Å; L336-A345 HydrophobicContact CG-CB 3.71Å; L336-L346 HydrophobicContact CD1-CD2 4.07Å; L336-L346 HydrophobicContact CD2-CD2 3.83Å; L336-L346 HydrophobicContact CD2-CG 3.84Å; L336-R349 VanDerWaalsContact CD1-NH1 3.29Å
337G96.6Very high98Very high67 Ų6750.1 Ų50.169%0.69127%0.266SS*.THydrogen-bonded Turntrans-61.7-25.8171.600000113.5D333 V335D333-G337 PolarHBondContact O-N 3.44Å; V335-G337 VanDerWaalsContact C-N 3.28Å; V335-G337 PolarHBondContact O-N 2.93Å
338K95.2Very high98.1Very high158 Ų15848.5 Ų48.569%0.68726%0.257SS*.THydrogen-bonded Turntrans-103.6-35.3175.5-62.2-175.6-178.7-178.10112.8V335 L336V335-K338 PolarHBondContact O-N 3.28Å; V335-K338 VanDerWaalsContact O-N 3.09Å; L336-K338 PolarHBondContact O-N 3.37Å
339E97Very high98.1Very high65 Ų6550.3 Ų50.330%0.30426%0.264SS..  trans-128.777.9-177.2-63.9178.8-169.400110.3K309 V335 L336 S341 N342K309-E339 WeakPolarHBondContact CD-OE1 3.24Å; K309-E339 WeakPolarHBondContact CD-OE2 3.45Å; K309-E339 WeakPolarHBondContact CE-OE1 3.29Å; K309-E339 IonicContact NZ-OE1 2.74Å; K309-E339 PolarHBondContact NZ-OE1 3.33Å; K309-E339 IonicContact NZ-OE2 3.76Å; V335-E339 PolarHBondContact O-N 3.18Å; L336-E339 CarbonylContact O-C 3.48Å; E339-S341 PolarHBondContact O-N 2.94Å; E339-S341 VanDerWaalsContact O-N 3.09Å; E339-N342 HydrophobicContact CB-CB 3.95Å; E339-N342 VanDerWaalsContact O-CB 3.26Å; E339-N342 WeakPolarHBondContact O-CB 3.36Å; E339-N342 PolarHBondContact O-N 3.01Å; E339-N342 PolarHBondContact OE2-ND2 3.42Å
340P98Very high98.1Very high97 Ų9749.2 Ų49.263%0.6326%0.259SS*.THydrogen-bonded Turntrans-58.3-25.9-175.7-26.834.8000114.8L336L336-P340 WeakPolarHBondContact CD2-O 3.28Å; L336-P340 WeakPolarHBondContact O-CA 3.36Å; L336-P340 WeakPolarHBondContact O-CD 3.44Å; L336-P340 WeakPolarHBondContact O-CG 3.29Å
341S97.6Very high98.1Very high78 Ų7846.8 Ų46.855%0.54525%0.249SC..THydrogen-bonded Turntrans-92.513.7177.956.80000113.8E339 V343 I372E339-S341 PolarHBondContact O-N 2.94Å; E339-S341 VanDerWaalsContact O-N 3.09Å; S341-V343 PolarHBondContact O-N 3.45Å; S341-I372 WeakPolarHBondContact O-CD1 3.41Å
342N98.4Very high98.1Very high21 Ų2146.9 Ų46.911%0.11225%0.249CC..  trans-69.398.1179.2-169.6-60.6000111.1V335 L336 E339 K344 A345 L346V335-N342 HydrophobicContact CG1-CB 4.07Å; L336-N342 HydrophobicContact CD2-CB 4.26Å; E339-N342 HydrophobicContact CB-CB 3.95Å; E339-N342 VanDerWaalsContact O-CB 3.26Å; E339-N342 WeakPolarHBondContact O-CB 3.36Å; E339-N342 PolarHBondContact O-N 3.01Å; E339-N342 PolarHBondContact OE2-ND2 3.42Å; N342-K344 VanDerWaalsContact C-N 3.26Å; N342-K344 PolarHBondContact O-N 3.31Å; N342-K344 PolarHBondContact OD1-N 2.86Å; N342-A345 HydrophobicContact CB-CB 4.05Å; N342-A345 PolarHBondContact O-N 2.8Å; N342-A345 PolarHBondContact OD1-N 3.07Å; N342-L346 PolarHBondContact O-N 2.96Å
343V98.5Very high98.1Very high28 Ų2849 Ų4917%0.1726%0.257CS..Hα-helixtrans-50-42.9-178.7173.10000112.6S341 A345 Y347 L369 I372 E373S341-V343 PolarHBondContact O-N 3.45Å; V343-A345 PolarHBondContact O-N 2.84Å; V343-Y347 VanDerWaalsContact O-CB 3.29Å; V343-Y347 WeakPolarHBondContact O-CB 3.48Å; V343-Y347 PolarHBondContact O-N 3.25Å; V343-L369 HydrophobicContact CG1-CD1 3.95Å; V343-L369 HydrophobicContact CG1-CG 3.99Å; V343-I372 HydrophobicContact CG2-CB 4.26Å; V343-I372 HydrophobicContact CG2-CD1 4.33Å; V343-I372 HydrophobicContact CG2-CG2 3.81Å; V343-E373 HydrophobicContact CG2-CG 4.22Å
344K98.5Very high98Very high128 Ų12847 Ų4756%0.55725%0.246SC*.Hα-helixtrans-66.6-39.3-179.4-70.6178.4-179170.60111.7L313 N342 R348L313-K344 HydrophobicContact CD2-CB 4.02Å; N342-K344 VanDerWaalsContact C-N 3.26Å; N342-K344 PolarHBondContact O-N 3.31Å; N342-K344 PolarHBondContact OD1-N 2.86Å; K344-R348 WeakPolarHBondContact O-CB 3.21Å; K344-R348 VanDerWaalsContact O-CD 3.28Å; K344-R348 WeakPolarHBondContact O-CD 3.48Å; K344-R348 WeakPolarHBondContact O-CG 3Å; K344-R348 PolarHBondContact O-N 2.82Å; K344-R348 VanDerWaalsContact O-N 3.11Å
345A98.8Very high98Very high0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-70.8-45.7177.900000111.4L313 C332 V335 L336 N342 V343 Y347 R348 R349L313-A345 HydrophobicContact CD2-CB 3.9Å; C332-A345 HydrophobicContact CB-CB 4.33Å; C332-A345 PolarHBondContact SG-O 2.86Å; C332-A345 VanDerWaalsContact SG-O 3.37Å; V335-A345 HydrophobicContact CB-CB 4.15Å; V335-A345 HydrophobicContact CG1-CB 4.03Å; L336-A345 HydrophobicContact CD1-CB 4.19Å; L336-A345 HydrophobicContact CD2-CB 3.8Å; L336-A345 HydrophobicContact CG-CB 3.71Å; N342-A345 HydrophobicContact CB-CB 4.05Å; N342-A345 PolarHBondContact O-N 2.8Å; N342-A345 PolarHBondContact OD1-N 3.07Å; V343-A345 PolarHBondContact O-N 2.84Å; A345-Y347 PolarHBondContact O-N 2.86Å; A345-R348 PolarHBondContact O-N 2.92Å; A345-R349 WeakPolarHBondContact O-CB 3.39Å; A345-R349 PolarHBondContact O-N 3.34Å
346L98.8Very high97.9Very high7 Ų747.9 Ų47.94%0.03726%0.26CS..Hα-helixtrans-55.4-50.9174.4-70.5173.7000111L336 N342 R348 R349 A350 A368 L369 I372L336-L346 HydrophobicContact CD1-CD2 4.07Å; L336-L346 HydrophobicContact CD2-CD2 3.83Å; L336-L346 HydrophobicContact CD2-CG 3.84Å; N342-L346 PolarHBondContact O-N 2.96Å; L346-R348 PolarHBondContact O-N 2.82Å; L346-R349 PolarHBondContact O-N 3.09Å; L346-A350 WeakPolarHBondContact O-CB 3.3Å; L346-A350 PolarHBondContact O-N 3.12Å; L346-A368 HydrophobicContact CD1-CB 4.17Å; L346-A368 HydrophobicContact CD2-CB 4.33Å; L346-L369 HydrophobicContact CB-CB 4.23Å; L346-L369 HydrophobicContact CB-CD1 4.4Å; L346-L369 HydrophobicContact CD1-CB 4.25Å; L346-I372 HydrophobicContact CD1-CD1 4.04Å
347Y98.8Very high97.8Very high50 Ų5053.3 Ų53.320%0.19629%0.285CS..Hα-helixtrans-60.2-45.4-179.3-167.7-95.4000112.3V343 A345 A350 Q351 Y366 L369 A378 A379 N382V343-Y347 VanDerWaalsContact O-CB 3.29Å; V343-Y347 WeakPolarHBondContact O-CB 3.48Å; V343-Y347 PolarHBondContact O-N 3.25Å; A345-Y347 PolarHBondContact O-N 2.86Å; Y347-A350 PolarHBondContact O-N 2.93Å; Y347-Q351 HydrophobicContact CD1-CG 4.23Å; Y347-Q351 HydrophobicContact CE1-CG 3.98Å; Y347-Q351 WeakPolarHBondContact O-CG 3.4Å; Y347-Q351 PolarHBondContact O-N 2.98Å; Y347-Y366 HydrophobicContact CD2-CD1 4.36Å; Y347-Y366 AromaticContact CD2-CE1 3.71Å; Y347-Y366 HydrophobicContact CD2-CE1 3.71Å; Y347-Y366 AromaticContact CE2-CE1 3.77Å; Y347-Y366 HydrophobicContact CE2-CE1 3.77Å; Y347-Y366 HydrophobicContact CG-CE1 4.48Å; Y347-L369 HydrophobicContact CD2-CD1 3.7Å; Y347-L369 HydrophobicContact CG-CD1 4.11Å; Y347-A378 HydrophobicContact CE2-CB 4Å; Y347-A378 WeakPolarHBondContact OH-CB 2.96Å; Y347-A379 HydrophobicContact CD2-CB 4.4Å; Y347-A379 HydrophobicContact CE2-CB 4.33Å; Y347-N382 PolarHBondContact OH-ND2 3.05Å; Y347-N382 VanDerWaalsContact OH-ND2 3.17Å
348R98.7Very high97.9Very high29 Ų2953 Ų5311%0.10927%0.268CS..Hα-helixtrans-71.7-37.4-177.8-71167.1-174173.5-2.5112.2L313 A316 K344 A345 L346 Q351 A352L313-R348 VanDerWaalsContact CB-NH1 3.33Å; L313-R348 PolarHBondContact O-NH1 2.76Å; A316-R348 HydrophobicContact CB-CB 4.48Å; K344-R348 WeakPolarHBondContact O-CB 3.21Å; K344-R348 VanDerWaalsContact O-CD 3.28Å; K344-R348 WeakPolarHBondContact O-CD 3.48Å; K344-R348 WeakPolarHBondContact O-CG 3Å; K344-R348 PolarHBondContact O-N 2.82Å; K344-R348 VanDerWaalsContact O-N 3.11Å; A345-R348 PolarHBondContact O-N 2.92Å; L346-R348 PolarHBondContact O-N 2.82Å; R348-Q351 PolarHBondContact O-N 2.69Å; R348-A352 PolarHBondContact O-N 2.79Å
349R98.8Very high98Very high39 Ų3946.9 Ų46.915%0.14724%0.241CC..Hα-helixtrans-64.6-42.8173.7-165.2173.167.3-176.3-3.1111.1I329 C332 D333 L336 A345 L346 Q351 A352 R353 D365I329-R349 HydrophobicContact CB-CG 4.49Å; I329-R349 HydrophobicContact CG1-CG 4.19Å; I329-R349 HydrophobicContact CG2-CG 4.24Å; C332-R349 HydrophobicContact CB-CB 3.69Å; C332-R349 HydrophobicContact CB-CG 4.13Å; D333-R349 WeakPolarHBondContact OD1-CD 3.5Å; D333-R349 IonicContact OD1-CZ 3.89Å; D333-R349 IonicContact OD1-NE 3.52Å; D333-R349 IonicContact OD1-NH1 2.69Å; D333-R349 PolarHBondContact OD1-NH1 3.07Å; L336-R349 VanDerWaalsContact CD1-NH1 3.29Å; A345-R349 WeakPolarHBondContact O-CB 3.39Å; A345-R349 PolarHBondContact O-N 3.34Å; L346-R349 PolarHBondContact O-N 3.09Å; R349-Q351 VanDerWaalsContact C-N 3.33Å; R349-Q351 PolarHBondContact O-N 3.02Å; R349-A352 PolarHBondContact O-N 2.96Å; R349-R353 WeakPolarHBondContact O-CB 3.46Å; R349-R353 WeakPolarHBondContact O-CG 3.46Å; R349-R353 PolarHBondContact O-N 2.87Å; R349-D365 WeakPolarHBondContact CB-OD2 3.34Å; R349-D365 WeakPolarHBondContact CG-OD2 3.25Å; R349-D365 IonicContact CZ-OD1 3.45Å; R349-D365 IonicContact CZ-OD2 3.89Å; R349-D365 IonicContact NE-OD1 3.33Å; R349-D365 PolarHBondContact NE-OD1 2.7Å; R349-D365 IonicContact NE-OD2 2.73Å; R349-D365 PolarHBondContact NE-OD2 2.58Å; R349-D365 IonicContact NH2-OD1 3.84Å; R349-D365 PolarHBondContact NH2-OD1 2.94Å; R349-D365 IonicContact NH2-OD2 3.78Å
350A98.8Very high98.1Very high0 Ų050.3 Ų50.30%026%0.257CS..Hα-helixtrans-60.2-40.9173.800000112.4L346 Y347 Q354 D365 Y366L346-A350 WeakPolarHBondContact O-CB 3.3Å; L346-A350 PolarHBondContact O-N 3.12Å; Y347-A350 PolarHBondContact O-N 2.93Å; A350-Q354 WeakPolarHBondContact O-CG 3.47Å; A350-Q354 PolarHBondContact O-N 2.95Å; A350-Q354 PolarHBondContact O-NE2 2.74Å; A350-D365 HydrophobicContact CB-CB 3.63Å; A350-D365 PolarHBondContact N-OD2 2.85Å; A350-Y366 HydrophobicContact CB-CD1 3.96Å; A350-Y366 HydrophobicContact CB-CD2 3.96Å; A350-Y366 HydrophobicContact CB-CE1 3.61Å; A350-Y366 HydrophobicContact CB-CE2 3.62Å; A350-Y366 HydrophobicContact CB-CG 4.1Å; A350-Y366 VanDerWaalsContact CB-CZ 3.42Å
351Q98.6Very high98.1Very high56 Ų5650 Ų5026%0.26225%0.247SC..Hα-helixtrans-63.5-43174.1-73.2-175.6-57.900112.2V320 Y347 R348 R349 G355V320-Q351 HydrophobicContact CG1-CB 3.98Å; V320-Q351 HydrophobicContact CG2-CB 4.36Å; Y347-Q351 HydrophobicContact CD1-CG 4.23Å; Y347-Q351 HydrophobicContact CE1-CG 3.98Å; Y347-Q351 WeakPolarHBondContact O-CG 3.4Å; Y347-Q351 PolarHBondContact O-N 2.98Å; R348-Q351 PolarHBondContact O-N 2.69Å; R349-Q351 VanDerWaalsContact C-N 3.33Å; R349-Q351 PolarHBondContact O-N 3.02Å; Q351-G355 PolarHBondContact O-N 2.66Å; Q351-G355 VanDerWaalsContact O-N 3.14Å
352A98.6Very high98.1Very high1 Ų146.3 Ų46.31%0.00822%0.221CC..Hα-helixtrans-65.5-43.9177.800000112.3V320 T325 A328 I329 R348 R349 G355 Q356V320-A352 HydrophobicContact CG2-CB 4.08Å; T325-A352 HydrophobicContact CG2-CB 4.5Å; T325-A352 WeakPolarHBondContact CG2-O 3.3Å; A328-A352 HydrophobicContact CB-CB 3.8Å; I329-A352 HydrophobicContact CD1-CB 4.3Å; I329-A352 HydrophobicContact CG1-CB 3.7Å; R348-A352 PolarHBondContact O-N 2.79Å; R349-A352 PolarHBondContact O-N 2.96Å; A352-G355 WeakPolarHBondContact O-CA 3.18Å; A352-G355 PolarHBondContact O-N 3.09Å; A352-G355 VanDerWaalsContact O-N 3.09Å; A352-Q356 PolarHBondContact O-N 2.98Å; A352-Q356 VanDerWaalsContact O-N 3.12Å
353R98.7Very high98.2Very high44 Ų4445.6 Ų45.617%0.16622%0.218CC..Hα-helixtrans-62.7-42176-76.4172.2170.2175.9-0.9112.7I329 R349 G355 Q356 H357 D358 E361 A362 D365I329-R353 HydrophobicContact CD1-CG 3.85Å; I329-R353 HydrophobicContact CG1-CG 4.3Å; R349-R353 WeakPolarHBondContact O-CB 3.46Å; R349-R353 WeakPolarHBondContact O-CG 3.46Å; R349-R353 PolarHBondContact O-N 2.87Å; R353-G355 VanDerWaalsContact C-N 3.25Å; R353-G355 PolarHBondContact O-N 2.86Å; R353-Q356 CarbonylContact O-C 3.56Å; R353-Q356 WeakPolarHBondContact O-CA 3.13Å; R353-Q356 PolarHBondContact O-N 3.32Å; R353-H357 PolarHBondContact O-N 2.88Å; R353-H357 VanDerWaalsContact O-N 3.09Å; R353-D358 HydrophobicContact CB-CB 4.1Å; R353-D358 HydrophobicContact CG-CB 4.46Å; R353-D358 PolarHBondContact O-N 2.57Å; R353-E361 PolarHBondContact NH1-O 3.27Å; R353-E361 VanDerWaalsContact NH1-O 3.14Å; R353-A362 HydrophobicContact CB-CB 3.83Å; R353-D365 IonicContact CZ-OD2 3.04Å; R353-D365 IonicContact NE-OD2 2.8Å; R353-D365 IonicContact NH1-OD1 2.63Å; R353-D365 PolarHBondContact NH1-OD1 2.68Å; R353-D365 IonicContact NH1-OD2 2.8Å; R353-D365 PolarHBondContact NH1-OD2 3.09Å
354Q97.5Very high98.2Very high25 Ų2546.6 Ų46.612%0.11723%0.229CC..Hα-helixtrans-57.5-38.9169.8-84.5166.9110.800112.9A350 Q356 H357 Y359 A362 Y366 C386A350-Q354 WeakPolarHBondContact O-CG 3.47Å; A350-Q354 PolarHBondContact O-N 2.95Å; A350-Q354 PolarHBondContact O-NE2 2.74Å; Q354-Q356 PolarHBondContact O-N 2.92Å; Q354-H357 PolarHBondContact O-N 3.25Å; Q354-Y359 HydrophobicContact CG-CD1 4.39Å; Q354-A362 HydrophobicContact CG-CB 3.76Å; Q354-Y366 VanDerWaalsContact NE2-CZ 3.33Å; Q354-Y366 PolarHBondContact NE2-OH 2.95Å; Q354-C386 VanDerWaalsContact CD-SG 3.55Å; Q354-C386 WeakPolarHBondContact CG-SG 3.24Å; Q354-C386 PolarHBondContact OE1-SG 3.16Å
355G95.8Very high98.2Very high35 Ų3540.8 Ų40.836%0.36120%0.204SC..Hα-helixtrans-65.4-24.6174.700000113.5Q351 A352 R353Q351-G355 PolarHBondContact O-N 2.66Å; Q351-G355 VanDerWaalsContact O-N 3.14Å; A352-G355 WeakPolarHBondContact O-CA 3.18Å; A352-G355 PolarHBondContact O-N 3.09Å; A352-G355 VanDerWaalsContact O-N 3.09Å; R353-G355 VanDerWaalsContact C-N 3.25Å; R353-G355 PolarHBondContact O-N 2.86Å
356Q96.5Very high98.2Very high63 Ų6340.8 Ų40.829%0.29420%0.204SC..Hα-helixtrans-87.6-4170.7-64.9-169.614.200113.6T325 A352 R353 Q354 D358T325-Q356 HydrophobicContact CG2-CG 4.24Å; T325-Q356 WeakPolarHBondContact OG1-CG 3.35Å; T325-Q356 PolarHBondContact OG1-NE2 2.99Å; A352-Q356 PolarHBondContact O-N 2.98Å; A352-Q356 VanDerWaalsContact O-N 3.12Å; R353-Q356 CarbonylContact O-C 3.56Å; R353-Q356 WeakPolarHBondContact O-CA 3.13Å; R353-Q356 PolarHBondContact O-N 3.32Å; Q354-Q356 PolarHBondContact O-N 2.92Å; Q356-D358 PolarHBondContact OE1-OD2 3.44Å
357H96Very high98.2Very high129 Ų12944.1 Ų44.160%0.59722%0.22SC*.THydrogen-bonded Turntrans67.916.6-170-49.5-78.6000114.9R353 Q354 Y359R353-H357 PolarHBondContact O-N 2.88Å; R353-H357 VanDerWaalsContact O-N 3.09Å; Q354-H357 PolarHBondContact O-N 3.25Å; H357-Y359 HydrophobicContact CB-CD2 4.49Å; H357-Y359 HydrophobicContact CB-CE2 3.86Å; H357-Y359 AromaticContact ND1-CZ 3.68Å; H357-Y359 PolarHBondContact ND1-OH 3.15Å; H357-Y359 WeakPolarHBondContact O-CD2 3.37Å; H357-Y359 PolarHBondContact O-N 3.23Å
358D97.5Very high98.2Very high60 Ų6043.4 Ų43.432%0.32122%0.224SC..  trans-79.667.7173.7-62.4-23.6000109.8R353 Q356 E360 A362R353-D358 HydrophobicContact CB-CB 4.1Å; R353-D358 HydrophobicContact CG-CB 4.46Å; R353-D358 PolarHBondContact O-N 2.57Å; Q356-D358 PolarHBondContact OE1-OD2 3.44Å; D358-E360 VanDerWaalsContact C-N 3.31Å; D358-E360 PolarHBondContact O-N 3.2Å; D358-A362 VanDerWaalsContact O-CB 3.28Å; D358-A362 WeakPolarHBondContact O-CB 3.12Å; D358-A362 PolarHBondContact O-N 3.47Å
359Y98.5Very high98.1Very high30 Ų3042 Ų4212%0.11822%0.218CC..Hα-helixtrans-69.3-26.6-169.9-63.6-60.4000113.7Q354 H357 A363 F385 C386 K389Q354-Y359 HydrophobicContact CG-CD1 4.39Å; H357-Y359 HydrophobicContact CB-CD2 4.49Å; H357-Y359 HydrophobicContact CB-CE2 3.86Å; H357-Y359 AromaticContact ND1-CZ 3.68Å; H357-Y359 PolarHBondContact ND1-OH 3.15Å; H357-Y359 WeakPolarHBondContact O-CD2 3.37Å; H357-Y359 PolarHBondContact O-N 3.23Å; Y359-A363 VanDerWaalsContact O-CB 3.24Å; Y359-A363 WeakPolarHBondContact O-CB 3.24Å; Y359-A363 PolarHBondContact O-N 2.92Å; Y359-F385 AromaticContact CE1-CE1 3.94Å; Y359-F385 HydrophobicContact CE1-CE1 3.94Å; Y359-C386 HydrophobicContact CD1-CB 4.5Å; Y359-K389 HydrophobicContact CD1-CB 4.03Å; Y359-K389 HydrophobicContact CD1-CG 4.27Å; Y359-K389 HydrophobicContact CD2-CB 3.61Å; Y359-K389 HydrophobicContact CD2-CG 4.38Å; Y359-K389 HydrophobicContact CE1-CB 4.08Å; Y359-K389 HydrophobicContact CE1-CG 3.88Å; Y359-K389 HydrophobicContact CE2-CB 3.64Å; Y359-K389 HydrophobicContact CE2-CD 4.17Å; Y359-K389 HydrophobicContact CE2-CG 3.97Å; Y359-K389 HydrophobicContact CG-CB 3.81Å
360E98.3Very high98.1Very high137 Ų13741.6 Ų41.664%0.6422%0.219SC*.Hα-helixtrans-71.7-50.3178.7-175.7163.8-166.200110.4D358 A362 A363 A364 L390D358-E360 VanDerWaalsContact C-N 3.31Å; D358-E360 PolarHBondContact O-N 3.2Å; E360-A362 VanDerWaalsContact C-N 3.33Å; E360-A362 PolarHBondContact O-N 3.31Å; E360-A363 WeakPolarHBondContact O-CB 3.43Å; E360-A363 PolarHBondContact O-N 3.28Å; E360-A364 PolarHBondContact O-N 3.22Å; E360-L390 HydrophobicContact CB-CD2 4.22Å
361E98.4Very high98.1Very high90 Ų9049.5 Ų49.542%0.42126%0.256SS..Hα-helixtrans-68-33.3177.4-65.482.2174.900112.2R353 D365R353-E361 PolarHBondContact NH1-O 3.27Å; R353-E361 VanDerWaalsContact NH1-O 3.14Å; E361-D365 PolarHBondContact O-N 2.82Å
362A98.7Very high98.1Very high0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-67.7-40.4171.800000112.3R353 Q354 D358 E360 D365 Y366R353-A362 HydrophobicContact CB-CB 3.83Å; Q354-A362 HydrophobicContact CG-CB 3.76Å; D358-A362 VanDerWaalsContact O-CB 3.28Å; D358-A362 WeakPolarHBondContact O-CB 3.12Å; D358-A362 PolarHBondContact O-N 3.47Å; E360-A362 VanDerWaalsContact C-N 3.33Å; E360-A362 PolarHBondContact O-N 3.31Å; A362-D365 PolarHBondContact O-N 2.89Å; A362-Y366 WeakPolarHBondContact O-CD2 3.33Å; A362-Y366 PolarHBondContact O-N 2.8Å; A362-Y366 VanDerWaalsContact O-N 3.1Å
363A98.7Very high98Very high6 Ų654 Ų545%0.0528%0.279CS..Hα-helixtrans-62.9-43.1175.900000111.2Y359 E360 D365 Y366 E367 L383 C386Y359-A363 VanDerWaalsContact O-CB 3.24Å; Y359-A363 WeakPolarHBondContact O-CB 3.24Å; Y359-A363 PolarHBondContact O-N 2.92Å; E360-A363 WeakPolarHBondContact O-CB 3.43Å; E360-A363 PolarHBondContact O-N 3.28Å; A363-D365 VanDerWaalsContact C-N 3.32Å; A363-D365 PolarHBondContact O-N 2.56Å; A363-Y366 PolarHBondContact O-N 2.93Å; A363-Y366 VanDerWaalsContact O-N 3.16Å; A363-E367 WeakPolarHBondContact O-CG 3.41Å; A363-E367 PolarHBondContact O-N 3.02Å; A363-L383 HydrophobicContact CB-CD1 3.66Å; A363-C386 HydrophobicContact CB-CB 4.12Å
364A98.6Very high98Very high50 Ų5056.6 Ų56.641%0.41330%0.301SS..Hα-helixtrans-58.5-41.9176.100000112.4E360 E367 A368E360-A364 PolarHBondContact O-N 3.22Å; A364-E367 PolarHBondContact O-N 3.43Å; A364-A368 WeakPolarHBondContact O-CB 3.31Å; A364-A368 PolarHBondContact O-N 2.96Å
365D98.8Very high98Very high6 Ų661.7 Ų61.73%0.03233%0.329CS..Hα-helixtrans-65.5-38.6175.9-76.3-12000112.6R349 A350 R353 E361 A362 A363 L369R349-D365 WeakPolarHBondContact CB-OD2 3.34Å; R349-D365 WeakPolarHBondContact CG-OD2 3.25Å; R349-D365 IonicContact CZ-OD1 3.45Å; R349-D365 IonicContact CZ-OD2 3.89Å; R349-D365 IonicContact NE-OD1 3.33Å; R349-D365 PolarHBondContact NE-OD1 2.7Å; R349-D365 IonicContact NE-OD2 2.73Å; R349-D365 PolarHBondContact NE-OD2 2.58Å; R349-D365 IonicContact NH2-OD1 3.84Å; R349-D365 PolarHBondContact NH2-OD1 2.94Å; R349-D365 IonicContact NH2-OD2 3.78Å; A350-D365 HydrophobicContact CB-CB 3.63Å; A350-D365 PolarHBondContact N-OD2 2.85Å; R353-D365 IonicContact CZ-OD2 3.04Å; R353-D365 IonicContact NE-OD2 2.8Å; R353-D365 IonicContact NH1-OD1 2.63Å; R353-D365 PolarHBondContact NH1-OD1 2.68Å; R353-D365 IonicContact NH1-OD2 2.8Å; R353-D365 PolarHBondContact NH1-OD2 3.09Å; E361-D365 PolarHBondContact O-N 2.82Å; A362-D365 PolarHBondContact O-N 2.89Å; A363-D365 VanDerWaalsContact C-N 3.32Å; A363-D365 PolarHBondContact O-N 2.56Å; D365-L369 WeakPolarHBondContact O-CB 3.4Å; D365-L369 PolarHBondContact O-N 2.99Å
366Y98.8Very high98.1Very high0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-69.9-35.9175.5-74.7-51.3000113.2Y347 A350 Q354 A362 A363 L369 L370 A379 N382 L383Y347-Y366 HydrophobicContact CD2-CD1 4.36Å; Y347-Y366 AromaticContact CD2-CE1 3.71Å; Y347-Y366 HydrophobicContact CD2-CE1 3.71Å; Y347-Y366 AromaticContact CE2-CE1 3.77Å; Y347-Y366 HydrophobicContact CE2-CE1 3.77Å; Y347-Y366 HydrophobicContact CG-CE1 4.48Å; A350-Y366 HydrophobicContact CB-CD1 3.96Å; A350-Y366 HydrophobicContact CB-CD2 3.96Å; A350-Y366 HydrophobicContact CB-CE1 3.61Å; A350-Y366 HydrophobicContact CB-CE2 3.62Å; A350-Y366 HydrophobicContact CB-CG 4.1Å; A350-Y366 VanDerWaalsContact CB-CZ 3.42Å; Q354-Y366 VanDerWaalsContact NE2-CZ 3.33Å; Q354-Y366 PolarHBondContact NE2-OH 2.95Å; A362-Y366 WeakPolarHBondContact O-CD2 3.33Å; A362-Y366 PolarHBondContact O-N 2.8Å; A362-Y366 VanDerWaalsContact O-N 3.1Å; A363-Y366 PolarHBondContact O-N 2.93Å; A363-Y366 VanDerWaalsContact O-N 3.16Å; Y366-L369 PolarHBondContact O-N 3.1Å; Y366-L370 WeakPolarHBondContact O-CB 3.24Å; Y366-L370 VanDerWaalsContact O-CG 3.23Å; Y366-L370 WeakPolarHBondContact O-CG 3.49Å; Y366-L370 PolarHBondContact O-N 2.74Å; Y366-A379 HydrophobicContact CD1-CB 3.75Å; Y366-A379 HydrophobicContact CE1-CB 4.32Å; Y366-N382 HydrophobicContact CD2-CB 4.06Å; Y366-N382 HydrophobicContact CE1-CB 4Å; Y366-N382 HydrophobicContact CE2-CB 3.32Å; Y366-N382 WeakPolarHBondContact OH-CB 3.36Å; Y366-N382 PolarHBondContact OH-ND2 3.47Å; Y366-L383 HydrophobicContact CD2-CB 4.45Å; Y366-L383 HydrophobicContact CG-CB 4.42Å
367E98.6Very high98.2Very high77 Ų7767.2 Ų67.236%0.3634%0.344SS..Hα-helixtrans-64.1-49.2174.8-73.5170.8179.400110.1A363 A364 L369 L370 E371 L383 R387A363-E367 WeakPolarHBondContact O-CG 3.41Å; A363-E367 PolarHBondContact O-N 3.02Å; A364-E367 PolarHBondContact O-N 3.43Å; E367-L369 PolarHBondContact O-N 3.05Å; E367-L370 PolarHBondContact O-N 2.96Å; E367-L370 VanDerWaalsContact O-N 3.1Å; E367-E371 WeakPolarHBondContact O-CG 3.41Å; E367-E371 PolarHBondContact O-N 2.81Å; E367-L383 HydrophobicContact CG-CD1 3.93Å; E367-L383 HydrophobicContact CG-CD2 3.78Å; E367-R387 IonicContact OE1-CZ 3.58Å; E367-R387 IonicContact OE1-NE 2.88Å; E367-R387 IonicContact OE1-NH2 3.41Å; E367-R387 PolarHBondContact OE1-NH2 3.24Å
368A98.6Very high98.3Very high34 Ų3463 Ų6328%0.28133%0.332SS..Hα-helixtrans-58.2-35.7174.300000112.7L346 A364 I372L346-A368 HydrophobicContact CD1-CB 4.17Å; L346-A368 HydrophobicContact CD2-CB 4.33Å; A364-A368 WeakPolarHBondContact O-CB 3.31Å; A364-A368 PolarHBondContact O-N 2.96Å; A368-I372 WeakPolarHBondContact O-CD1 3.11Å
369L98.5Very high98.3Very high0 Ų060.2 Ų60.20%032%0.316CS..Hα-helixtrans-68.6-45.4174.3-177.5160.6000112.1V343 L346 Y347 D365 Y366 E367 E371 I372 E373 N376 A379V343-L369 HydrophobicContact CG1-CD1 3.95Å; V343-L369 HydrophobicContact CG1-CG 3.99Å; L346-L369 HydrophobicContact CB-CB 4.23Å; L346-L369 HydrophobicContact CB-CD1 4.4Å; L346-L369 HydrophobicContact CD1-CB 4.25Å; Y347-L369 HydrophobicContact CD2-CD1 3.7Å; Y347-L369 HydrophobicContact CG-CD1 4.11Å; D365-L369 WeakPolarHBondContact O-CB 3.4Å; D365-L369 PolarHBondContact O-N 2.99Å; Y366-L369 PolarHBondContact O-N 3.1Å; E367-L369 PolarHBondContact O-N 3.05Å; L369-E371 PolarHBondContact O-N 2.7Å; L369-I372 WeakPolarHBondContact O-CA 3.2Å; L369-I372 WeakPolarHBondContact O-CB 3.38Å; L369-I372 PolarHBondContact O-N 3.25Å; L369-E373 HydrophobicContact CD2-CB 4.39Å; L369-E373 PolarHBondContact O-N 3.48Å; L369-N376 HydrophobicContact CD2-CB 3.86Å; L369-A379 HydrophobicContact CD1-CB 4.39Å; L369-A379 HydrophobicContact CD2-CB 3.55Å
370L98.5Very high98.3Very high30 Ų3062 Ų6216%0.15733%0.331CS..Hα-helixtrans-70.6-19.7-178.2-72.8167.8000112.9Y366 E367 I372 E373 P374 N376 A379 T380 L383Y366-L370 WeakPolarHBondContact O-CB 3.24Å; Y366-L370 VanDerWaalsContact O-CG 3.23Å; Y366-L370 WeakPolarHBondContact O-CG 3.49Å; Y366-L370 PolarHBondContact O-N 2.74Å; E367-L370 PolarHBondContact O-N 2.96Å; E367-L370 VanDerWaalsContact O-N 3.1Å; L370-I372 PolarHBondContact O-N 2.87Å; L370-E373 WeakPolarHBondContact CD2-O 3.4Å; L370-P374 VanDerWaalsContact O-CA 3.29Å; L370-P374 WeakPolarHBondContact O-CA 3.41Å; L370-P374 WeakPolarHBondContact O-CG 3.39Å; L370-N376 HydrophobicContact CD2-CB 4.2Å; L370-A379 HydrophobicContact CD1-CB 4.44Å; L370-A379 HydrophobicContact CD2-CB 3.9Å; L370-A379 HydrophobicContact CG-CB 3.99Å; L370-T380 WeakPolarHBondContact CD2-OG1 3.33Å; L370-L383 HydrophobicContact CD1-CD2 3.66Å
371E98.3Very high98.3Very high166 Ų16658 Ų5878%0.77632%0.321SS*.Hα-helixtrans-63.5-28.4165.6-72.6179.3173.500112.1E367 L369E367-E371 WeakPolarHBondContact O-CG 3.41Å; E367-E371 PolarHBondContact O-N 2.81Å; L369-E371 PolarHBondContact O-N 2.7Å
372I98Very high98.3Very high79 Ų7955.7 Ų55.741%0.40531%0.312SS..Hα-helixtrans-94.8-44-178.8-54.9161.2000111.2S341 V343 L346 A368 L369 L370S341-I372 WeakPolarHBondContact O-CD1 3.41Å; V343-I372 HydrophobicContact CG2-CB 4.26Å; V343-I372 HydrophobicContact CG2-CD1 4.33Å; V343-I372 HydrophobicContact CG2-CG2 3.81Å; L346-I372 HydrophobicContact CD1-CD1 4.04Å; A368-I372 WeakPolarHBondContact O-CD1 3.11Å; L369-I372 WeakPolarHBondContact O-CA 3.2Å; L369-I372 WeakPolarHBondContact O-CB 3.38Å; L369-I372 PolarHBondContact O-N 3.25Å; L370-I372 PolarHBondContact O-N 2.87Å
373E97.9Very high98.3Very high73 Ų7356.3 Ų56.334%0.34132%0.315SS..  trans-124.879.9178.8-66.1-176.317700111V343 L369 L370 D375 N376V343-E373 HydrophobicContact CG2-CG 4.22Å; L369-E373 HydrophobicContact CD2-CB 4.39Å; L369-E373 PolarHBondContact O-N 3.48Å; L370-E373 WeakPolarHBondContact CD2-O 3.4Å; E373-D375 PolarHBondContact O-N 3.45Å; E373-D375 VanDerWaalsContact O-N 3.12Å; E373-N376 HydrophobicContact CB-CB 3.97Å; E373-N376 VanDerWaalsContact O-CB 3.27Å; E373-N376 WeakPolarHBondContact O-CB 3.31Å; E373-N376 PolarHBondContact O-N 2.72Å; E373-N376 VanDerWaalsContact O-N 3.07Å; E373-N376 PolarHBondContact OE2-ND2 2.93Å
374P98Very high98.3Very high98 Ų9859.5 Ų59.564%0.63634%0.337SS*.THydrogen-bonded Turntrans-61.9-22-175.8-23.933.4000114.9L370L370-P374 VanDerWaalsContact O-CA 3.29Å; L370-P374 WeakPolarHBondContact O-CA 3.41Å; L370-P374 WeakPolarHBondContact O-CG 3.39Å
375D97.7Very high98.3Very high133 Ų13361.3 Ų61.371%0.71134%0.336SS*.THydrogen-bonded Turntrans-91.83.4179.868.9-36.3000113.5E373 K377E373-D375 PolarHBondContact O-N 3.45Å; E373-D375 VanDerWaalsContact O-N 3.12Å; D375-K377 PolarHBondContact O-N 3.47Å
376N97.9Very high98.3Very high32 Ų3261 Ų6117%0.17133%0.334CS..  trans-6889.5178.6-166.8-48.4000111.5L369 L370 E373 A378 A379 T380L369-N376 HydrophobicContact CD2-CB 3.86Å; L370-N376 HydrophobicContact CD2-CB 4.2Å; E373-N376 HydrophobicContact CB-CB 3.97Å; E373-N376 VanDerWaalsContact O-CB 3.27Å; E373-N376 WeakPolarHBondContact O-CB 3.31Å; E373-N376 PolarHBondContact O-N 2.72Å; E373-N376 VanDerWaalsContact O-N 3.07Å; E373-N376 PolarHBondContact OE2-ND2 2.93Å; N376-A378 PolarHBondContact O-N 2.81Å; N376-A378 PolarHBondContact OD1-N 2.73Å; N376-A379 HydrophobicContact CB-CB 4.1Å; N376-A379 PolarHBondContact O-N 2.54Å; N376-A379 VanDerWaalsContact O-N 3.15Å; N376-A379 PolarHBondContact OD1-N 2.94Å; N376-T380 PolarHBondContact O-N 2.8Å; N376-T380 PolarHBondContact O-OG1 2.91Å
377K98Very high98.3Very high181 Ų18167.4 Ų67.479%0.78736%0.358SS*.Hα-helixtrans-56.6-35-176.5-64.7-177.1-179.3176.20113.4D375 A381D375-K377 PolarHBondContact O-N 3.47Å; K377-A381 WeakPolarHBondContact O-CB 3.39Å; K377-A381 PolarHBondContact O-N 3.48Å
378A97.8Very high98.3Very high42 Ų4265.9 Ų65.935%0.34736%0.356SS..Hα-helixtrans-70.4-42.8-178.800000111.1Y347 N376 A381 N382Y347-A378 HydrophobicContact CE2-CB 4Å; Y347-A378 WeakPolarHBondContact OH-CB 2.96Å; N376-A378 PolarHBondContact O-N 2.81Å; N376-A378 PolarHBondContact OD1-N 2.73Å; A378-A381 PolarHBondContact O-N 3.33Å; A378-N382 PolarHBondContact O-N 2.88Å; A378-N382 PolarHBondContact O-ND2 2.8Å
379A98.4Very high98.3Very high0 Ų066.9 Ų66.90%035%0.354CS..Hα-helixtrans-63.8-44.7173.700000111.6Y347 Y366 L369 L370 N376 A381 N382 L383Y347-A379 HydrophobicContact CD2-CB 4.4Å; Y347-A379 HydrophobicContact CE2-CB 4.33Å; Y366-A379 HydrophobicContact CD1-CB 3.75Å; Y366-A379 HydrophobicContact CE1-CB 4.32Å; L369-A379 HydrophobicContact CD1-CB 4.39Å; L369-A379 HydrophobicContact CD2-CB 3.55Å; L370-A379 HydrophobicContact CD1-CB 4.44Å; L370-A379 HydrophobicContact CD2-CB 3.9Å; L370-A379 HydrophobicContact CG-CB 3.99Å; N376-A379 HydrophobicContact CB-CB 4.1Å; N376-A379 PolarHBondContact O-N 2.54Å; N376-A379 VanDerWaalsContact O-N 3.15Å; N376-A379 PolarHBondContact OD1-N 2.94Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-A381 PolarHBondContact O-N 3.41Å; A379-N382 PolarHBondContact O-N 2.83Å; A379-L383 VanDerWaalsContact O-CB 3.3Å; A379-L383 WeakPolarHBondContact O-CB 3.07Å; A379-L383 PolarHBondContact O-N 2.63Å
380T98.6Very high98.2Very high68 Ų6868.6 Ų68.642%0.41736%0.363SS..Hα-helixtrans-58.2-44.9176.4-610000112.2L370 N376 S384L370-T380 WeakPolarHBondContact CD2-OG1 3.33Å; N376-T380 PolarHBondContact O-N 2.8Å; N376-T380 PolarHBondContact O-OG1 2.91Å; T380-S384 PolarHBondContact O-N 3.16Å
381A98.6Very high98.2Very high53 Ų5375.3 Ų75.344%0.43839%0.386SS..Hα-helixtrans-63.2-48.3177.200000111.8K377 A378 A379 L383 S384 F385K377-A381 WeakPolarHBondContact O-CB 3.39Å; K377-A381 PolarHBondContact O-N 3.48Å; A378-A381 PolarHBondContact O-N 3.33Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-A381 PolarHBondContact O-N 3.41Å; A381-L383 PolarHBondContact O-N 2.93Å; A381-S384 PolarHBondContact O-N 2.96Å; A381-S384 PolarHBondContact O-OG 3.22Å; A381-F385 PolarHBondContact O-N 2.94Å
382N98.5Very high98.1Very high41 Ų4172.3 Ų72.322%0.21937%0.372CS..Hα-helixtrans-68.2-34.8-179.8-67.4-37.4000112.8Y347 Y366 A378 A379 F385 C386Y347-N382 PolarHBondContact OH-ND2 3.05Å; Y347-N382 VanDerWaalsContact OH-ND2 3.17Å; Y366-N382 HydrophobicContact CD2-CB 4.06Å; Y366-N382 HydrophobicContact CE1-CB 4Å; Y366-N382 HydrophobicContact CE2-CB 3.32Å; Y366-N382 WeakPolarHBondContact OH-CB 3.36Å; Y366-N382 PolarHBondContact OH-ND2 3.47Å; A378-N382 PolarHBondContact O-N 2.88Å; A378-N382 PolarHBondContact O-ND2 2.8Å; A379-N382 PolarHBondContact O-N 2.83Å; N382-F385 WeakPolarHBondContact O-CB 3.33Å; N382-F385 PolarHBondContact O-N 2.79Å; N382-C386 PolarHBondContact O-N 3.14Å; N382-C386 PolarHBondContact O-SG 2.86Å
383L98.6Very high98Very high13 Ų1372.7 Ų72.77%0.06837%0.372CS..Hα-helixtrans-61.6-44.6172177.758.1000111.1A363 Y366 E367 L370 A379 A381 F385 C386 R387A363-L383 HydrophobicContact CB-CD1 3.66Å; Y366-L383 HydrophobicContact CD2-CB 4.45Å; Y366-L383 HydrophobicContact CG-CB 4.42Å; E367-L383 HydrophobicContact CG-CD1 3.93Å; E367-L383 HydrophobicContact CG-CD2 3.78Å; L370-L383 HydrophobicContact CD1-CD2 3.66Å; A379-L383 VanDerWaalsContact O-CB 3.3Å; A379-L383 WeakPolarHBondContact O-CB 3.07Å; A379-L383 PolarHBondContact O-N 2.63Å; A381-L383 PolarHBondContact O-N 2.93Å; L383-F385 VanDerWaalsContact C-N 3.28Å; L383-F385 PolarHBondContact O-N 2.78Å; L383-C386 PolarHBondContact O-N 3.46Å; L383-R387 HydrophobicContact CD1-CG 4.27Å; L383-R387 WeakPolarHBondContact O-CG 3.3Å; L383-R387 PolarHBondContact O-N 3.09Å
384S98.6Very high97.9Very high74 Ų7476.4 Ų76.452%0.51738%0.383SS..Hα-helixtrans-61.3-39176.379.10000111.9T380 A381 R387 S388T380-S384 PolarHBondContact O-N 3.16Å; A381-S384 PolarHBondContact O-N 2.96Å; A381-S384 PolarHBondContact O-OG 3.22Å; S384-R387 PolarHBondContact O-N 2.95Å; S384-S388 PolarHBondContact O-N 3.41Å
385F98.4Very high97.8Very high88 Ų8875.5 Ų75.539%0.38637%0.372SS..Hα-helixtrans-62.3-50.2174173.9-98.7000111.6Y359 A381 N382 L383 R387 S388 K389Y359-F385 AromaticContact CE1-CE1 3.94Å; Y359-F385 HydrophobicContact CE1-CE1 3.94Å; A381-F385 PolarHBondContact O-N 2.94Å; N382-F385 WeakPolarHBondContact O-CB 3.33Å; N382-F385 PolarHBondContact O-N 2.79Å; L383-F385 VanDerWaalsContact C-N 3.28Å; L383-F385 PolarHBondContact O-N 2.78Å; F385-R387 VanDerWaalsContact C-N 3.34Å; F385-R387 PolarHBondContact O-N 2.97Å; F385-S388 WeakPolarHBondContact O-CB 3.28Å; F385-S388 PolarHBondContact O-N 2.75Å; F385-S388 VanDerWaalsContact O-N 3.1Å; F385-S388 PolarHBondContact O-OG 3.19Å; F385-K389 HydrophobicContact CE1-CG 4.15Å; F385-K389 HydrophobicContact CE2-CG 4.36Å; F385-K389 HydrophobicContact CZ-CD 4.39Å; F385-K389 HydrophobicContact CZ-CG 4.03Å; F385-K389 PolarHBondContact O-N 3.2Å
386C98.5Very high97.6Very high0 Ų078.2 Ų78.20%037%0.372CS..Hα-helixtrans-56.9-46.4177.3-65.20000111.5Q354 Y359 A363 N382 L383 S388 K389 L390Q354-C386 VanDerWaalsContact CD-SG 3.55Å; Q354-C386 WeakPolarHBondContact CG-SG 3.24Å; Q354-C386 PolarHBondContact OE1-SG 3.16Å; Y359-C386 HydrophobicContact CD1-CB 4.5Å; A363-C386 HydrophobicContact CB-CB 4.12Å; N382-C386 PolarHBondContact O-N 3.14Å; N382-C386 PolarHBondContact O-SG 2.86Å; L383-C386 PolarHBondContact O-N 3.46Å; C386-S388 VanDerWaalsContact C-N 3.3Å; C386-S388 PolarHBondContact O-N 3.24Å; C386-K389 PolarHBondContact O-N 2.81Å; C386-K389 VanDerWaalsContact O-N 3.14Å; C386-L390 WeakPolarHBondContact O-CG 3.38Å; C386-L390 PolarHBondContact O-N 3.01Å
387R98.4Very high97.4Very high133 Ų13380.7 Ų80.750%0.50238%0.383SS..Hα-helixtrans-61.9-36.1177.4-73.3176.7173.1-178.8-1.7112.7E367 L383 S384 F385 R391E367-R387 IonicContact OE1-CZ 3.58Å; E367-R387 IonicContact OE1-NE 2.88Å; E367-R387 IonicContact OE1-NH2 3.41Å; E367-R387 PolarHBondContact OE1-NH2 3.24Å; L383-R387 HydrophobicContact CD1-CG 4.27Å; L383-R387 WeakPolarHBondContact O-CG 3.3Å; L383-R387 PolarHBondContact O-N 3.09Å; S384-R387 PolarHBondContact O-N 2.95Å; F385-R387 VanDerWaalsContact C-N 3.34Å; F385-R387 PolarHBondContact O-N 2.97Å; R387-R391 PolarHBondContact O-N 3.17Å
388S98.4Very high97.2Very high45 Ų4579.6 Ų79.632%0.31538%0.378SS..Hα-helixtrans-64-43.8174.481.20000111.6S384 F385 C386 R391 E392S384-S388 PolarHBondContact O-N 3.41Å; F385-S388 WeakPolarHBondContact O-CB 3.28Å; F385-S388 PolarHBondContact O-N 2.75Å; F385-S388 VanDerWaalsContact O-N 3.1Å; F385-S388 PolarHBondContact O-OG 3.19Å; C386-S388 VanDerWaalsContact C-N 3.3Å; C386-S388 PolarHBondContact O-N 3.24Å; S388-R391 WeakPolarHBondContact O-CB 3.25Å; S388-R391 PolarHBondContact O-N 3.44Å; S388-R391 VanDerWaalsContact O-N 3.13Å; S388-E392 WeakPolarHBondContact O-CG 3.31Å; S388-E392 PolarHBondContact O-N 2.71Å
389K98.3Very high97Very high56 Ų5683.9 Ų83.924%0.24339%0.391CS..Hα-helixtrans-64.2-44.5178.2-70-73.7158.2-151.60112.3Y359 F385 C386 R391 E392 E393Y359-K389 HydrophobicContact CD1-CB 4.03Å; Y359-K389 HydrophobicContact CD1-CG 4.27Å; Y359-K389 HydrophobicContact CD2-CB 3.61Å; Y359-K389 HydrophobicContact CD2-CG 4.38Å; Y359-K389 HydrophobicContact CE1-CB 4.08Å; Y359-K389 HydrophobicContact CE1-CG 3.88Å; Y359-K389 HydrophobicContact CE2-CB 3.64Å; Y359-K389 HydrophobicContact CE2-CD 4.17Å; Y359-K389 HydrophobicContact CE2-CG 3.97Å; Y359-K389 HydrophobicContact CG-CB 3.81Å; F385-K389 HydrophobicContact CE1-CG 4.15Å; F385-K389 HydrophobicContact CE2-CG 4.36Å; F385-K389 HydrophobicContact CZ-CD 4.39Å; F385-K389 HydrophobicContact CZ-CG 4.03Å; F385-K389 PolarHBondContact O-N 3.2Å; C386-K389 PolarHBondContact O-N 2.81Å; C386-K389 VanDerWaalsContact O-N 3.14Å; K389-R391 VanDerWaalsContact C-N 3.25Å; K389-R391 PolarHBondContact O-N 2.94Å; K389-E392 IonicContact NZ-OE1 3.88Å; K389-E392 IonicContact NZ-OE2 3.29Å; K389-E392 PolarHBondContact NZ-OE2 2.82Å; K389-E392 WeakPolarHBondContact O-CB 3.47Å; K389-E392 PolarHBondContact O-N 2.91Å; K389-E393 PolarHBondContact O-N 3.27Å
390L97.7Very high96.7Very high36 Ų3688.1 Ų88.119%0.18841%0.414CS..Hα-helixtrans-61.8-31.8173.6-68.6170.1000112.7E360 C386 R394E360-L390 HydrophobicContact CB-CD2 4.22Å; C386-L390 WeakPolarHBondContact O-CG 3.38Å; C386-L390 PolarHBondContact O-N 3.01Å; L390-R394 WeakPolarHBondContact O-CB 3.39Å; L390-R394 VanDerWaalsContact O-CG 3.28Å; L390-R394 WeakPolarHBondContact O-CG 3.31Å; L390-R394 PolarHBondContact O-N 3.23Å; L390-R394 PolarHBondContact O-NE 3.03Å; L390-R394 VanDerWaalsContact O-NE 3.1Å
391R97.8Very high96.4Very high171 Ų17192.2 Ų92.265%0.64542%0.422SS*.Hα-helixtrans-71.5-45.5174.1-176.1-177.4178.4-170.60111.4R387 S388 K389 E393 R394 I395R387-R391 PolarHBondContact O-N 3.17Å; S388-R391 WeakPolarHBondContact O-CB 3.25Å; S388-R391 PolarHBondContact O-N 3.44Å; S388-R391 VanDerWaalsContact O-N 3.13Å; K389-R391 VanDerWaalsContact C-N 3.25Å; K389-R391 PolarHBondContact O-N 2.94Å; R391-E393 VanDerWaalsContact C-N 3.32Å; R391-E393 PolarHBondContact O-N 3.34Å; R391-R394 PolarHBondContact O-N 2.77Å; R391-I395 HydrophobicContact CG-CD1 4.12Å; R391-I395 WeakPolarHBondContact O-CG1 3.34Å; R391-I395 PolarHBondContact O-N 3.18Å
392E96.7Very high96Very high102 Ų10293 Ų9348%0.47743%0.425SS..Hα-helixtrans-57.6-46.2176-72.4171.9-173.600111.1S388 K389 I395 R396S388-E392 WeakPolarHBondContact O-CG 3.31Å; S388-E392 PolarHBondContact O-N 2.71Å; K389-E392 IonicContact NZ-OE1 3.88Å; K389-E392 IonicContact NZ-OE2 3.29Å; K389-E392 PolarHBondContact NZ-OE2 2.82Å; K389-E392 WeakPolarHBondContact O-CB 3.47Å; K389-E392 PolarHBondContact O-N 2.91Å; E392-I395 PolarHBondContact O-N 3.12Å; E392-R396 WeakPolarHBondContact O-CB 3.28Å; E392-R396 PolarHBondContact O-N 2.85Å
393E94.9Very high95.7Very high88 Ų8893.5 Ų93.541%0.41143%0.431SS..Hα-helixtrans-61.5-46.8178.6-169.5-178.5173.300111.8K389 R391 I395 R396 Q397K389-E393 PolarHBondContact O-N 3.27Å; R391-E393 VanDerWaalsContact C-N 3.32Å; R391-E393 PolarHBondContact O-N 3.34Å; E393-I395 VanDerWaalsContact C-N 3.3Å; E393-I395 PolarHBondContact O-N 2.72Å; E393-R396 PolarHBondContact O-N 2.78Å; E393-Q397 HydrophobicContact CG-CG 4.31Å; E393-Q397 WeakPolarHBondContact O-CB 3.28Å; E393-Q397 VanDerWaalsContact O-CG 3.31Å; E393-Q397 WeakPolarHBondContact O-CG 3.31Å; E393-Q397 PolarHBondContact O-N 2.96Å; E393-Q397 PolarHBondContact OE1-NE2 2.86Å
394R95.7Very high95.3Very high151 Ų15197.1 Ų97.157%0.5745%0.449SS*.Hα-helixtrans-59.4-38.8176.1-76.6-177.9-69.9-177.3-3.2112.7L390 R391 K398L390-R394 WeakPolarHBondContact O-CB 3.39Å; L390-R394 VanDerWaalsContact O-CG 3.28Å; L390-R394 WeakPolarHBondContact O-CG 3.31Å; L390-R394 PolarHBondContact O-N 3.23Å; L390-R394 PolarHBondContact O-NE 3.03Å; L390-R394 VanDerWaalsContact O-NE 3.1Å; R391-R394 PolarHBondContact O-N 2.77Å; R394-K398 WeakPolarHBondContact O-CB 3.48Å; R394-K398 VanDerWaalsContact O-CG 3.29Å; R394-K398 WeakPolarHBondContact O-CG 3.34Å; R394-K398 PolarHBondContact O-N 3.49Å; R394-K398 VanDerWaalsContact O-N 3.12Å
395I95.8Very high95Very high79 Ų7998.5 Ų98.541%0.40545%0.45SS..Hα-helixtrans-66.2-47176.1-69.3167.6000110.2R391 E392 E393 K398 Q399R391-I395 HydrophobicContact CG-CD1 4.12Å; R391-I395 WeakPolarHBondContact O-CG1 3.34Å; R391-I395 PolarHBondContact O-N 3.18Å; E392-I395 PolarHBondContact O-N 3.12Å; E393-I395 VanDerWaalsContact C-N 3.3Å; E393-I395 PolarHBondContact O-N 2.72Å; I395-K398 PolarHBondContact O-N 3.22Å; I395-Q399 WeakPolarHBondContact O-CG 3.24Å; I395-Q399 PolarHBondContact O-N 3.33Å
396R94.5Very high94.7Very high189 Ų18997.6 Ų97.671%0.71345%0.452SS*.Hα-helixtrans-60.8-46.4178.8-177.2-177.5177.9-173.5-0.4111.9E392 E393 K398 Q399 L400E392-R396 WeakPolarHBondContact O-CB 3.28Å; E392-R396 PolarHBondContact O-N 2.85Å; E393-R396 PolarHBondContact O-N 2.78Å; R396-K398 PolarHBondContact O-N 3.43Å; R396-Q399 PolarHBondContact O-N 2.84Å; R396-L400 WeakPolarHBondContact O-CB 3.07Å; R396-L400 PolarHBondContact O-N 3.32Å
397Q93.3Very high94.3Very high85 Ų85104.1 Ų104.140%0.39748%0.48SS..Hα-helixtrans-57.7-49.9176.3-72.11786.700110.3E393 Q399 L400 Y401E393-Q397 HydrophobicContact CG-CG 4.31Å; E393-Q397 WeakPolarHBondContact O-CB 3.28Å; E393-Q397 VanDerWaalsContact O-CG 3.31Å; E393-Q397 WeakPolarHBondContact O-CG 3.31Å; E393-Q397 PolarHBondContact O-N 2.96Å; E393-Q397 PolarHBondContact OE1-NE2 2.86Å; Q397-Q399 VanDerWaalsContact C-N 3.35Å; Q397-Q399 PolarHBondContact O-N 2.71Å; Q397-L400 PolarHBondContact O-N 3.12Å; Q397-Y401 HydrophobicContact CB-CD2 4.46Å; Q397-Y401 HydrophobicContact CB-CE2 4.49Å; Q397-Y401 WeakPolarHBondContact O-CD2 3.43Å; Q397-Y401 PolarHBondContact O-N 2.9Å
398K94.1Very high93.8Very high157 Ų157103.6 Ų103.668%0.68349%0.485SS*.Hα-helixtrans-56.3-44.7177.4-76.8176.6179-175.40113.1R394 I395 R396 S402R394-K398 WeakPolarHBondContact O-CB 3.48Å; R394-K398 VanDerWaalsContact O-CG 3.29Å; R394-K398 WeakPolarHBondContact O-CG 3.34Å; R394-K398 PolarHBondContact O-N 3.49Å; R394-K398 VanDerWaalsContact O-N 3.12Å; I395-K398 PolarHBondContact O-N 3.22Å; R396-K398 PolarHBondContact O-N 3.43Å; K398-S402 WeakPolarHBondContact O-CB 3.46Å; K398-S402 PolarHBondContact O-N 2.83Å
399Q94Very high93.4Very high132 Ų132108 Ų10862%0.61750%0.499SS*.Hα-helixtrans-65.2-44.3177.8-72.5175.4-1500111.9I395 R396 Q397 S402 S403I395-Q399 WeakPolarHBondContact O-CG 3.24Å; I395-Q399 PolarHBondContact O-N 3.33Å; R396-Q399 PolarHBondContact O-N 2.84Å; Q397-Q399 VanDerWaalsContact C-N 3.35Å; Q397-Q399 PolarHBondContact O-N 2.71Å; Q399-S402 PolarHBondContact O-N 2.94Å; Q399-S403 PolarHBondContact O-N 3.33Å
400L91.5Very high92.9Very high90 Ų90110.7 Ų110.747%0.47151%0.512SS..Hα-helixtrans-61-49.7178.3-175.767.6000111.1R396 Q397 S402 S403 M404R396-L400 WeakPolarHBondContact O-CB 3.07Å; R396-L400 PolarHBondContact O-N 3.32Å; Q397-L400 PolarHBondContact O-N 3.12Å; L400-S402 PolarHBondContact O-N 2.86Å; L400-S403 PolarHBondContact O-N 3.21Å; L400-S403 PolarHBondContact O-OG 2.99Å; L400-M404 HydrophobicContact CD1-CE 3.98Å; L400-M404 HydrophobicContact CD2-CE 3.63Å; L400-M404 HydrophobicContact CG-CE 3.49Å; L400-M404 VanDerWaalsContact CG-CE 3.49Å; L400-M404 WeakPolarHBondContact O-CG 3.11Å; L400-M404 PolarHBondContact O-N 2.82Å
401Y92.1Very high92.3Very high153 Ų153113.7 Ų113.760%0.653%0.531SS*.Hα-helixtrans-57.4-45.6175.5-83.1-70.7000112.2Q397 S403 M404 L405Q397-Y401 HydrophobicContact CB-CD2 4.46Å; Q397-Y401 HydrophobicContact CB-CE2 4.49Å; Q397-Y401 WeakPolarHBondContact O-CD2 3.43Å; Q397-Y401 PolarHBondContact O-N 2.9Å; Y401-S403 VanDerWaalsContact C-N 3.33Å; Y401-S403 PolarHBondContact O-N 2.82Å; Y401-M404 PolarHBondContact O-N 2.92Å; Y401-L405 WeakPolarHBondContact O-CB 3.37Å; Y401-L405 VanDerWaalsContact O-CG 3.29Å; Y401-L405 WeakPolarHBondContact O-CG 3.39Å; Y401-L405 PolarHBondContact O-N 2.96Å
402S91.5Very high91.7Very high70 Ų70112 Ų11249%0.4953%0.531SS..Hα-helixtrans-58.9-42.9176.6-177.20000112.4K398 Q399 L400 T406K398-S402 WeakPolarHBondContact O-CB 3.46Å; K398-S402 PolarHBondContact O-N 2.83Å; Q399-S402 PolarHBondContact O-N 2.94Å; L400-S402 PolarHBondContact O-N 2.86Å; S402-T406 WeakPolarHBondContact O-CB 3.43Å; S402-T406 PolarHBondContact O-N 3.25Å; S402-T406 PolarHBondContact O-OG1 2.91Å
403S90.8Very high91.1Very high51 Ų51113.8 Ų113.836%0.35754%0.539SS..Hα-helixtrans-67.8-39.217877.20000112.9Q399 L400 Y401 T406 K407Q399-S403 PolarHBondContact O-N 3.33Å; L400-S403 PolarHBondContact O-N 3.21Å; L400-S403 PolarHBondContact O-OG 2.99Å; Y401-S403 VanDerWaalsContact C-N 3.33Å; Y401-S403 PolarHBondContact O-N 2.82Å; S403-T406 PolarHBondContact O-N 2.85Å; S403-K407 WeakPolarHBondContact O-CG 3.4Å; S403-K407 PolarHBondContact O-N 2.6Å
404M89.7Confident90.4Very high89 Ų89113.4 Ų113.444%0.43854%0.543SS..Hα-helixtrans-65.8-45175.8-71.2-159.6-135.100111.4L400 Y401 T406 K407 M408L400-M404 HydrophobicContact CD1-CE 3.98Å; L400-M404 HydrophobicContact CD2-CE 3.63Å; L400-M404 HydrophobicContact CG-CE 3.49Å; L400-M404 VanDerWaalsContact CG-CE 3.49Å; L400-M404 WeakPolarHBondContact O-CG 3.11Å; L400-M404 PolarHBondContact O-N 2.82Å; Y401-M404 PolarHBondContact O-N 2.92Å; M404-T406 VanDerWaalsContact C-N 3.27Å; M404-T406 PolarHBondContact O-N 3.29Å; M404-K407 PolarHBondContact O-N 3.45Å; M404-M408 WeakPolarHBondContact O-CG 3.32Å; M404-M408 PolarHBondContact O-N 2.92Å
405L92.6Very high89.7Confident103 Ų103114.3 Ų114.354%0.53955%0.546SS..Hα-helixtrans-59.5-39.9175.3-72.1171.2000111.6Y401 K409Y401-L405 WeakPolarHBondContact O-CB 3.37Å; Y401-L405 VanDerWaalsContact O-CG 3.29Å; Y401-L405 WeakPolarHBondContact O-CG 3.39Å; Y401-L405 PolarHBondContact O-N 2.96Å; L405-K409 WeakPolarHBondContact O-CG 3.31Å; L405-K409 PolarHBondContact O-N 2.84Å; L405-K409 VanDerWaalsContact O-N 3.14Å
406T92.1Very high88.9Confident69 Ų69113.9 Ų113.942%0.42355%0.549SS..Hα-helixtrans-66.3-44176.6-55.70000111.6S402 S403 M404 K409 Q410S402-T406 WeakPolarHBondContact O-CB 3.43Å; S402-T406 PolarHBondContact O-N 3.25Å; S402-T406 PolarHBondContact O-OG1 2.91Å; S403-T406 PolarHBondContact O-N 2.85Å; M404-T406 VanDerWaalsContact C-N 3.27Å; M404-T406 PolarHBondContact O-N 3.29Å; T406-K409 PolarHBondContact O-N 3.44Å; T406-Q410 WeakPolarHBondContact O-CG 3.41Å; T406-Q410 PolarHBondContact O-N 2.88Å; T406-Q410 VanDerWaalsContact O-N 3.08Å
407K89.7Confident88Confident138 Ų138113.8 Ų113.860%0.655%0.549SS*.Hα-helixtrans-64.4-42176-76-178.8-179-179.20112.3S403 M404 K409 Q410 T411S403-K407 WeakPolarHBondContact O-CG 3.4Å; S403-K407 PolarHBondContact O-N 2.6Å; M404-K407 PolarHBondContact O-N 3.45Å; K407-K409 VanDerWaalsContact C-N 3.33Å; K407-K409 PolarHBondContact O-N 3.04Å; K407-Q410 PolarHBondContact O-N 2.96Å; K407-Q410 VanDerWaalsContact O-N 3.15Å; K407-T411 PolarHBondContact O-N 3.22Å; K407-T411 PolarHBondContact O-OG1 2.86Å
408M87.8Confident87.2Confident121 Ų121117.3 Ų117.360%0.59656%0.56SS**Hα-helixtrans-58-46.1176.3-77.3179.4161.600111.2M404 Q410 T411 E412M404-M408 WeakPolarHBondContact O-CG 3.32Å; M404-M408 PolarHBondContact O-N 2.92Å; M408-Q410 VanDerWaalsContact C-N 3.33Å; M408-Q410 PolarHBondContact O-N 3.04Å; M408-T411 PolarHBondContact O-N 2.87Å; M408-E412 WeakPolarHBondContact O-CG 3.48Å; M408-E412 PolarHBondContact O-N 3.41Å
409K89.9Confident86.3Confident139 Ų139114.5 Ų114.560%0.60455%0.549SS*.Hα-helixtrans-59.7-41.1174.5-71.6175.7-179.8-176.60112.7L405 T406 K407 Q413L405-K409 WeakPolarHBondContact O-CG 3.31Å; L405-K409 PolarHBondContact O-N 2.84Å; L405-K409 VanDerWaalsContact O-N 3.14Å; T406-K409 PolarHBondContact O-N 3.44Å; K407-K409 VanDerWaalsContact C-N 3.33Å; K407-K409 PolarHBondContact O-N 3.04Å; K409-Q413 WeakPolarHBondContact O-CG 3.31Å; K409-Q413 PolarHBondContact O-N 2.83Å
410Q87.8Confident85.4Confident112 Ų112114 Ų11452%0.52355%0.55SS..Hα-helixtrans-67.6-41.7177-72.7176.8-7.500112.2T406 K407 M408 Q413 V414T406-Q410 WeakPolarHBondContact O-CG 3.41Å; T406-Q410 PolarHBondContact O-N 2.88Å; T406-Q410 VanDerWaalsContact O-N 3.08Å; K407-Q410 PolarHBondContact O-N 2.96Å; K407-Q410 VanDerWaalsContact O-N 3.15Å; M408-Q410 VanDerWaalsContact C-N 3.33Å; M408-Q410 PolarHBondContact O-N 3.04Å; Q410-Q413 WeakPolarHBondContact O-CB 3.46Å; Q410-Q413 PolarHBondContact O-N 2.85Å; Q410-V414 WeakPolarHBondContact O-CG2 3.37Å; Q410-V414 PolarHBondContact O-N 3.02Å
411T85.3Confident84.5Confident98 Ų98114.5 Ų114.560%0.60155%0.552SS**Hα-helixtrans-64.3-41.9176.4-55.80000111.4K407 M408 V414 R415K407-T411 PolarHBondContact O-N 3.22Å; K407-T411 PolarHBondContact O-OG1 2.86Å; M408-T411 PolarHBondContact O-N 2.87Å; T411-V414 PolarHBondContact O-N 3.38Å; T411-R415 WeakPolarHBondContact O-CB 3.29Å; T411-R415 PolarHBondContact O-N 3.02Å
412E85.5Confident83.3Confident135 Ų135114.6 Ų114.663%0.63156%0.557SS**Hα-helixtrans-60.1-43.7172.3-78.3176.4173.900111.8M408 R415 C416M408-E412 WeakPolarHBondContact O-CG 3.48Å; M408-E412 PolarHBondContact O-N 3.41Å; E412-R415 PolarHBondContact O-N 3.42Å; E412-C416 WeakPolarHBondContact O-CB 3.46Å; E412-C416 PolarHBondContact O-N 3.05Å
413Q84.2Confident82.1Confident141 Ų141115.1 Ų115.166%0.65956%0.556SS**Hα-helixtrans-62.1-43.9175.6-78.2179.1-5.200112.5K409 Q410 R417K409-Q413 WeakPolarHBondContact O-CG 3.31Å; K409-Q413 PolarHBondContact O-N 2.83Å; Q410-Q413 WeakPolarHBondContact O-CB 3.46Å; Q410-Q413 PolarHBondContact O-N 2.85Å; Q413-R417 WeakPolarHBondContact O-CB 3.49Å; Q413-R417 PolarHBondContact O-N 2.93Å
414V81.5Confident80.7Confident80 Ų80114.3 Ų114.349%0.48556%0.556SS.*Hα-helixtrans-64.8-43.9177.2171.40000110.8Q410 T411 R417 Y418Q410-V414 WeakPolarHBondContact O-CG2 3.37Å; Q410-V414 PolarHBondContact O-N 3.02Å; T411-V414 PolarHBondContact O-N 3.38Å; V414-R417 WeakPolarHBondContact O-CB 3.41Å; V414-R417 PolarHBondContact O-N 2.94Å; V414-Y418 HydrophobicContact CG1-CD2 3.65Å; V414-Y418 HydrophobicContact CG1-CE2 3.65Å; V414-Y418 WeakPolarHBondContact O-CD2 3.48Å; V414-Y418 PolarHBondContact O-N 3.18Å
415R80.7Confident79.2Confident170 Ų170119.4 Ų119.464%0.64257%0.57SS**Hα-helixtrans-59.5-49.3176.3-179.4-178.4172.8173.72.3111.5T411 E412 R417 Y418 E419T411-R415 WeakPolarHBondContact O-CB 3.29Å; T411-R415 PolarHBondContact O-N 3.02Å; E412-R415 PolarHBondContact O-N 3.42Å; R415-R417 PolarHBondContact O-N 3.1Å; R415-Y418 PolarHBondContact O-N 2.86Å; R415-Y418 VanDerWaalsContact O-N 3.12Å; R415-E419 IonicContact CZ-OE1 3.8Å; R415-E419 IonicContact NE-OE1 2.76Å; R415-E419 PolarHBondContact NE-OE1 2.77Å; R415-E419 IonicContact NH2-OE1 2.69Å; R415-E419 PolarHBondContact NH2-OE1 3.38Å; R415-E419 PolarHBondContact O-N 2.83Å
416C77.5Confident77.5Confident69 Ų69118.6 Ų118.647%0.46657%0.57SS.*Hα-helixtrans-59.5-37.5177.7-161.20000111.1E412 L420E412-C416 WeakPolarHBondContact O-CB 3.46Å; E412-C416 PolarHBondContact O-N 3.05Å; C416-L420 WeakPolarHBondContact O-CB 3.26Å; C416-L420 VanDerWaalsContact O-CG 3.27Å; C416-L420 WeakPolarHBondContact O-CG 3.34Å; C416-L420 PolarHBondContact O-N 2.91Å
417R77.3Confident75.9Confident188 Ų188123.6 Ų123.671%0.70959%0.586SS**Hα-helixtrans-67.5-39.5175.3-150.4177.2-163.5178.83.7113.2Q413 V414 R415 L421Q413-R417 WeakPolarHBondContact O-CB 3.49Å; Q413-R417 PolarHBondContact O-N 2.93Å; V414-R417 WeakPolarHBondContact O-CB 3.41Å; V414-R417 PolarHBondContact O-N 2.94Å; R415-R417 PolarHBondContact O-N 3.1Å; R417-L421 WeakPolarHBondContact O-CB 3.37Å; R417-L421 WeakPolarHBondContact O-CG 3.11Å; R417-L421 PolarHBondContact O-N 3.26Å
418Y74.8Confident74.2Confident159 Ų159121.7 Ų121.762%0.62459%0.59SS**Hα-helixtrans-67.5-43.1174.4-91-75.2000112.3V414 R415 L420 L421 F422V414-Y418 HydrophobicContact CG1-CD2 3.65Å; V414-Y418 HydrophobicContact CG1-CE2 3.65Å; V414-Y418 WeakPolarHBondContact O-CD2 3.48Å; V414-Y418 PolarHBondContact O-N 3.18Å; R415-Y418 PolarHBondContact O-N 2.86Å; R415-Y418 VanDerWaalsContact O-N 3.12Å; Y418-L420 VanDerWaalsContact C-N 3.32Å; Y418-L420 PolarHBondContact O-N 2.93Å; Y418-L421 PolarHBondContact O-N 3.11Å; Y418-F422 PolarHBondContact O-N 3.22Å
419E76.6Confident72.4Confident98 Ų98122.4 Ų122.446%0.45860%0.595SS.*Hα-helixtrans-59.3-44.5175-73.6174.6-175.800110.5R415 L421 F422 V423R415-E419 IonicContact CZ-OE1 3.8Å; R415-E419 IonicContact NE-OE1 2.76Å; R415-E419 PolarHBondContact NE-OE1 2.77Å; R415-E419 IonicContact NH2-OE1 2.69Å; R415-E419 PolarHBondContact NH2-OE1 3.38Å; R415-E419 PolarHBondContact O-N 2.83Å; E419-L421 PolarHBondContact O-N 2.71Å; E419-F422 PolarHBondContact O-N 2.69Å; E419-V423 VanDerWaalsContact O-CG2 3.28Å; E419-V423 WeakPolarHBondContact O-CG2 3.18Å; E419-V423 PolarHBondContact O-N 3.11Å
420L74.1Confident70.5Confident120 Ų120118.6 Ų118.663%0.62860%0.595SS**Hα-helixtrans-62.1-40.7173.7-74.1167.6000113.3C416 Y418 G424C416-L420 WeakPolarHBondContact O-CB 3.26Å; C416-L420 VanDerWaalsContact O-CG 3.27Å; C416-L420 WeakPolarHBondContact O-CG 3.34Å; C416-L420 PolarHBondContact O-N 2.91Å; Y418-L420 VanDerWaalsContact C-N 3.32Å; Y418-L420 PolarHBondContact O-N 2.93Å; L420-G424 PolarHBondContact O-N 3.32Å
421L73.1Confident68.5Low101 Ų101119.8 Ų119.853%0.52961%0.61SS.*Hα-helixtrans-67.6-37.8176.6-79.5162.3000112.6R417 Y418 E419 G424 R425R417-L421 WeakPolarHBondContact O-CB 3.37Å; R417-L421 WeakPolarHBondContact O-CG 3.11Å; R417-L421 PolarHBondContact O-N 3.26Å; Y418-L421 PolarHBondContact O-N 3.11Å; E419-L421 PolarHBondContact O-N 2.71Å; L421-G424 PolarHBondContact O-N 3.17Å; L421-R425 PolarHBondContact O-N 3.18Å
422F67.1Low66.7Low156 Ų156120.5 Ų120.568%0.68462%0.616SS**Hα-helixtrans-67.9-43.7177.7-129.1-88.7000111Y418 E419 G424 R425 T426Y418-F422 PolarHBondContact O-N 3.22Å; E419-F422 PolarHBondContact O-N 2.69Å; F422-G424 VanDerWaalsContact C-N 3.34Å; F422-R425 PolarHBondContact O-N 3.46Å; F422-T426 PolarHBondContact O-N 3.35Å; F422-T426 VanDerWaalsContact O-N 3.08Å; F422-T426 PolarHBondContact O-OG1 3.4Å
423V66.7Low64.6Low80 Ų80125.7 Ų125.749%0.48565%0.648SS.*Hα-helixtrans-61.2-43.8171.3176.70000110.2E419 R425 T426 F427E419-V423 VanDerWaalsContact O-CG2 3.28Å; E419-V423 WeakPolarHBondContact O-CG2 3.18Å; E419-V423 PolarHBondContact O-N 3.11Å; V423-R425 VanDerWaalsContact C-N 3.34Å; V423-R425 PolarHBondContact O-N 3.42Å; V423-T426 PolarHBondContact O-N 2.7Å; V423-T426 PolarHBondContact O-OG1 3.12Å; V423-F427 HydrophobicContact CG1-CD2 3.86Å; V423-F427 HydrophobicContact CG1-CE2 3.9Å; V423-F427 VanDerWaalsContact O-CD2 3.31Å; V423-F427 WeakPolarHBondContact O-CD2 3.5Å; V423-F427 PolarHBondContact O-N 2.71Å; V423-F427 VanDerWaalsContact O-N 3.14Å
424G60.2Low63.7Low34 Ų34125 Ų12535%0.35165%0.648SS.*Hα-helixtrans-60.9-37.2177.200000114.2L420 L421 F422 S428L420-G424 PolarHBondContact O-N 3.32Å; L421-G424 PolarHBondContact O-N 3.17Å; F422-G424 VanDerWaalsContact C-N 3.34Å; G424-S428 WeakPolarHBondContact O-CB 3.26Å; G424-S428 PolarHBondContact O-N 2.8Å; G424-S428 VanDerWaalsContact O-N 3.14Å; G424-S428 PolarHBondContact O-OG 2.79Å
425R58Low62.7Low196 Ų196127.3 Ų127.374%0.7466%0.656SS**Hα-helixtrans-74.3-35.8177.1-77.6-172.6-174.8-167.52.1113.2L421 F422 V423 F427 S428 I429L421-R425 PolarHBondContact O-N 3.18Å; F422-R425 PolarHBondContact O-N 3.46Å; V423-R425 VanDerWaalsContact C-N 3.34Å; V423-R425 PolarHBondContact O-N 3.42Å; R425-F427 VanDerWaalsContact C-N 3.29Å; R425-F427 PolarHBondContact O-N 3.05Å; R425-S428 PolarHBondContact O-N 2.7Å; R425-I429 PolarHBondContact O-N 2.81Å
426T57.7Low61.7Low86 Ų86124.9 Ų124.953%0.52866%0.657SS.*Hα-helixtrans-67.3-32.2174.9540000111.9F422 V423F422-T426 PolarHBondContact O-N 3.35Å; F422-T426 VanDerWaalsContact O-N 3.08Å; F422-T426 PolarHBondContact O-OG1 3.4Å; V423-T426 PolarHBondContact O-N 2.7Å; V423-T426 PolarHBondContact O-OG1 3.12Å
427F58.7Low60.8Low175 Ų175128.2 Ų128.277%0.76867%0.668SS**Hα-helixtrans-76.5-20.1172.3-84.7-84000114.2V423 R425V423-F427 HydrophobicContact CG1-CD2 3.86Å; V423-F427 HydrophobicContact CG1-CE2 3.9Å; V423-F427 VanDerWaalsContact O-CD2 3.31Å; V423-F427 WeakPolarHBondContact O-CD2 3.5Å; V423-F427 PolarHBondContact O-N 2.71Å; V423-F427 VanDerWaalsContact O-N 3.14Å; R425-F427 VanDerWaalsContact C-N 3.29Å; R425-F427 PolarHBondContact O-N 3.05Å
428S54.2Low59.8Low98 Ų98124.5 Ų124.569%0.68567%0.666SS**Hα-helixtrans-92.1-2-179.4-57.20000114.3G424 R425 G430G424-S428 WeakPolarHBondContact O-CB 3.26Å; G424-S428 PolarHBondContact O-N 2.8Å; G424-S428 VanDerWaalsContact O-N 3.14Å; G424-S428 PolarHBondContact O-OG 2.79Å; R425-S428 PolarHBondContact O-N 2.7Å; S428-G430 PolarHBondContact O-N 3.22Å
429I48.9Very low58.8Low135 Ų135122.2 Ų122.269%0.69267%0.669SS**SBendtrans-74.877.6161-56.6175.3000105.9R425 V431R425-I429 PolarHBondContact O-N 2.81Å; I429-V431 PolarHBondContact O-N 2.95Å
430G50.8Low57.5Low59 Ų59123.9 Ų123.961%0.60868%0.684SS**PPolyproline II helixtrans-55.5118168.800000108.3S428 P432S428-G430 PolarHBondContact O-N 3.22Å; G430-P432 WeakPolarHBondContact O-CD 3.1Å
431V45.9Very low56.2Low138 Ų138124.2 Ų124.284%0.83669%0.688SS**PPolyproline II helixtrans-68.6120.1162.9-176.20000105.8I429I429-V431 PolarHBondContact O-N 2.95Å
432P47.3Very low54.8Low113 Ų113126.2 Ų126.273%0.73470%0.701SS**PPolyproline II helixtrans-71152.1-176.429.4-33.5000111.5G430G430-P432 WeakPolarHBondContact O-CD 3.1Å
433N42.3Very low53.7Low244 Ų244123.5 Ų123.5100%1.30570%0.703SS**  trans-26.60178.8-78.4-21.9000117.2

Retrieved 433 of 433 residues in 126.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).