RL14_STAAM Loading...

Large ribosomal subunit protein uL14

Binds to 23S rRNA. Forms part of two intersubunit bridges in the 70S ribosome.

AlphaFold DB (Q2FW16), UniProt , Accession Q99S31, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rplN, Length 122 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
1M93.9Very high97.9Very high105 Ų10568.3 Ų68.352%0.51731%0.314SS..  0130.60172179.373.400103.4T32 S67M1-T32 HydrophobicContact CE-CG2 4.36Å; M1-T32 HydrophobicContact CG-CG2 3.97Å; M1-T32 HydrophobicContact SD-CG2 3.63Å; M1-S67 VanDerWaalsContact CA-OG 3.31Å; M1-S67 WeakPolarHBondContact CA-OG 3.42Å; M1-S67 PolarHBondContact N-OG 2.86Å
2I98Very high97.9Very high0 Ų062.8 Ų62.80%029%0.289CS..EExtended strand (participates in β ladder)trans-108.4132.8-173.9-50.7-56.9000107.6T6 L8 T21 T32 A33 I39 I62 T65 N82I2-T6 HydrophobicContact CD1-CG2 3.76Å; I2-T6 HydrophobicContact CG2-CG2 4.03Å; I2-L8 HydrophobicContact CD1-CD2 3.86Å; I2-L8 HydrophobicContact CD1-CG 4.22Å; I2-L8 HydrophobicContact CG1-CD2 4.12Å; I2-L8 HydrophobicContact CG2-CD1 3.88Å; I2-L8 HydrophobicContact CG2-CD2 4.29Å; I2-T21 HydrophobicContact CG2-CG2 4.35Å; I2-T21 WeakPolarHBondContact CG2-OG1 3.47Å; I2-T32 CarbonylContact O-C 3.51Å; I2-T32 VanDerWaalsContact O-CA 3.28Å; I2-T32 WeakPolarHBondContact O-CA 3.27Å; I2-A33 HydrophobicContact CB-CB 4.27Å; I2-A33 WeakPolarHBondContact CB-O 3.31Å; I2-A33 PolarHBondContact N-O 2.97Å; I2-A33 PolarHBondContact O-N 3.03Å; I2-I39 HydrophobicContact CG2-CD1 4.15Å; I2-I62 HydrophobicContact CB-CD1 3.76Å; I2-I62 HydrophobicContact CG1-CD1 3.63Å; I2-I62 HydrophobicContact CG1-CG1 4.2Å; I2-I62 HydrophobicContact CG1-CG2 4.3Å; I2-I62 HydrophobicContact CG2-CD1 4.08Å; I2-T65 HydrophobicContact CD1-CG2 4.31Å; I2-T65 HydrophobicContact CG1-CG2 4.06Å; I2-N82 HydrophobicContact CD1-CB 3.75Å; I2-N82 VanDerWaalsContact CD1-CG 3.46Å
3Q97.6Very high97.8Very high93 Ų9362.8 Ų62.844%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-140.6177.3177.659.8-177.855.100109E5 T6 T21 T32Q3-E5 PolarHBondContact O-N 3.42Å; Q3-T6 PolarHBondContact N-OG1 3.45Å; Q3-T6 WeakPolarHBondContact O-CB 3.22Å; Q3-T6 PolarHBondContact O-N 2.61Å; Q3-T6 PolarHBondContact O-OG1 3.32Å; Q3-T21 VanDerWaalsContact O-CB 3.29Å; Q3-T21 WeakPolarHBondContact O-CB 3.46Å; Q3-T21 WeakPolarHBondContact O-CG2 3.44Å; Q3-T32 HydrophobicContact CB-CG2 4.5Å
4Q97.4Very high97.8Very high126 Ų12658.4 Ų58.459%0.58927%0.273SS*.THydrogen-bonded Turntrans-50.9141171.1-166172.6-32.900110.4T6Q4-T6 PolarHBondContact O-N 2.96Å
5E97.8Very high97.7Very high151 Ų15155.2 Ų55.271%0.70626%0.261SS*.THydrogen-bonded Turntrans69.92.3-175.4-46.7-168.8134.500116.7Q3 R7 L20 T21Q3-E5 PolarHBondContact O-N 3.42Å; E5-R7 PolarHBondContact O-N 2.9Å; E5-L20 HydrophobicContact CB-CD1 4.32Å; E5-L20 WeakPolarHBondContact O-CD1 3.31Å; E5-T21 PolarHBondContact N-O 3.27Å
6T98.7Very high97.7Very high24 Ų2452.1 Ų52.115%0.14725%0.248CC..  trans-70.3132.4172-59.10000111I2 Q3 Q4 L8 T21I2-T6 HydrophobicContact CD1-CG2 3.76Å; I2-T6 HydrophobicContact CG2-CG2 4.03Å; Q3-T6 PolarHBondContact N-OG1 3.45Å; Q3-T6 WeakPolarHBondContact O-CB 3.22Å; Q3-T6 PolarHBondContact O-N 2.61Å; Q3-T6 PolarHBondContact O-OG1 3.32Å; Q4-T6 PolarHBondContact O-N 2.96Å; T6-L8 HydrophobicContact CG2-CD1 4.15Å; T6-T21 PolarHBondContact O-N 3.43Å; T6-T21 PolarHBondContact O-OG1 2.91Å; T6-T21 VanDerWaalsContact O-OG1 3.12Å
7R98.6Very high97.8Very high115 Ų11557.6 Ų57.643%0.43427%0.266SS..EExtended strand (participates in β ladder)trans-85.7136.3170-64.4-72.4179.1136.2-3.4111E5 E18 V19 L20E5-R7 PolarHBondContact O-N 2.9Å; R7-E18 IonicContact CZ-OE2 3.76Å; R7-E18 IonicContact NH1-OE2 2.72Å; R7-E18 PolarHBondContact NH1-OE2 2.9Å; R7-V19 WeakPolarHBondContact CA-O 3.47Å; R7-L20 HydrophobicContact CG-CD1 4.31Å
8L98.8Very high97.8Very high3 Ų358.1 Ų58.12%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-130.1145.1174.4-60.691.6000109.9I2 T6 E18 V19 T21 I39 I62 N82 C84I2-L8 HydrophobicContact CD1-CD2 3.86Å; I2-L8 HydrophobicContact CD1-CG 4.22Å; I2-L8 HydrophobicContact CG1-CD2 4.12Å; I2-L8 HydrophobicContact CG2-CD1 3.88Å; I2-L8 HydrophobicContact CG2-CD2 4.29Å; T6-L8 HydrophobicContact CG2-CD1 4.15Å; L8-E18 WeakPolarHBondContact O-CA 3.45Å; L8-V19 HydrophobicContact CB-CG2 4.02Å; L8-V19 PolarHBondContact N-O 3.27Å; L8-V19 PolarHBondContact O-N 2.9Å; L8-T21 WeakPolarHBondContact CD1-OG1 3.37Å; L8-I39 HydrophobicContact CD1-CD1 3.87Å; L8-I39 HydrophobicContact CD2-CD1 4.13Å; L8-I62 HydrophobicContact CD2-CG1 4.15Å; L8-N82 HydrophobicContact CD2-CB 4.21Å; L8-N82 HydrophobicContact CG-CB 4.07Å; L8-C84 HydrophobicContact CD2-CB 4.05Å
9K98.7Very high97.9Very high118 Ų11855 Ų5551%0.51325%0.254SS..EExtended strand (participates in β ladder)trans-74.5147.9165.7-66.9-168.2-1681640110E81 N82 A83 C84K9-E81 VanDerWaalsContact CD-OE2 3.25Å; K9-E81 WeakPolarHBondContact CD-OE2 3.12Å; K9-E81 VanDerWaalsContact CE-OE2 3.3Å; K9-E81 WeakPolarHBondContact CE-OE2 3.38Å; K9-E81 IonicContact NZ-OE2 2.7Å; K9-E81 PolarHBondContact NZ-OE2 2.92Å; K9-N82 PolarHBondContact N-O 2.92Å; K9-A83 CarbonylContact O-C 3.5Å; K9-A83 VanDerWaalsContact O-CA 3.25Å; K9-A83 WeakPolarHBondContact O-CA 3.4Å; K9-C84 PolarHBondContact O-N 2.99Å
10V98.8Very high97.9Very high14 Ų1453.6 Ų53.69%0.08525%0.248CC..EExtended strand (participates in β ladder)trans-91.3121.9172.6179.30000109D12 A16 R17 V19 C84 I86V10-D12 VanDerWaalsContact C-N 3.34Å; V10-D12 WeakPolarHBondContact CG1-OD1 3.3Å; V10-A16 HydrophobicContact CB-CB 4.31Å; V10-A16 WeakPolarHBondContact CB-O 3.38Å; V10-A16 HydrophobicContact CG1-CB 4.25Å; V10-A16 HydrophobicContact CG2-CB 3.81Å; V10-R17 PolarHBondContact N-O 3.24Å; V10-V19 HydrophobicContact CG2-CG1 3.6Å; V10-V19 HydrophobicContact CG2-CG2 4.41Å; V10-C84 CarbonylContact C-O 3.55Å; V10-C84 WeakPolarHBondContact CA-O 3.48Å; V10-I86 HydrophobicContact CG1-CD1 4.17Å; V10-I86 HydrophobicContact CG1-CG1 4.13Å; V10-I86 HydrophobicContact CG2-CD1 4.31Å
11A98.6Very high98Very high2 Ų251 Ų512%0.01724%0.236CC..  trans-98.736.6-177.400000112V63 A83 C84 V85 I98 F99A11-V63 HydrophobicContact CB-CG2 4.14Å; A11-A83 HydrophobicContact CB-CB 4.1Å; A11-C84 PolarHBondContact N-O 2.67Å; A11-V85 HydrophobicContact CB-CG2 4.28Å; A11-I98 WeakPolarHBondContact O-CA 3.07Å; A11-F99 PolarHBondContact O-N 3.49Å
12D98.3Very high98.1Very high3 Ų349.1 Ų49.12%0.01623%0.228CC..BIsolated β-bridgetrans-143.4170.3173.970.342.2000111.4V10 S14 V85 I86 R97 I98 F99V10-D12 VanDerWaalsContact C-N 3.34Å; V10-D12 WeakPolarHBondContact CG1-OD1 3.3Å; D12-S14 PolarHBondContact O-N 3.34Å; D12-S14 WeakPolarHBondContact OD1-CA 3.47Å; D12-S14 WeakPolarHBondContact OD1-CB 3.46Å; D12-S14 PolarHBondContact OD1-N 3.08Å; D12-S14 PolarHBondContact OD1-OG 2.72Å; D12-V85 HydrophobicContact CB-CG1 4.25Å; D12-I86 PolarHBondContact OD2-N 2.82Å; D12-R97 VanDerWaalsContact CA-O 3.26Å; D12-R97 WeakPolarHBondContact CA-O 3.29Å; D12-R97 WeakPolarHBondContact CB-O 3.38Å; D12-I98 HydrophobicContact CB-CD1 4Å; D12-F99 WeakPolarHBondContact O-CE2 3.42Å
13N96.9Very high98.1Very high63 Ų6355.2 Ų55.234%0.33725%0.254SS..SBendtrans-91.924.1179.370.9-28.4000114.3G15 G95 T96 R97 F99N13-G15 PolarHBondContact O-N 3.47Å; N13-G95 WeakPolarHBondContact OD1-CA 3.35Å; N13-T96 PolarHBondContact ND2-OG1 2.57Å; N13-T96 PolarHBondContact OD1-N 3.29Å; N13-R97 PolarHBondContact N-O 2.81Å; N13-R97 PolarHBondContact OD1-N 2.81Å; N13-R97 PolarHBondContact OD1-O 2.88Å; N13-F99 HydrophobicContact CB-CE1 4.3Å; N13-F99 HydrophobicContact CB-CE2 4.35Å; N13-F99 HydrophobicContact CB-CZ 3.62Å
14S97.5Very high98.1Very high1 Ų151.3 Ų51.31%0.00724%0.237CC..SBendtrans-65.9-14177.164.10000113.8D12 V51 V52D12-S14 PolarHBondContact O-N 3.34Å; D12-S14 WeakPolarHBondContact OD1-CA 3.47Å; D12-S14 WeakPolarHBondContact OD1-CB 3.46Å; D12-S14 PolarHBondContact OD1-N 3.08Å; D12-S14 PolarHBondContact OD1-OG 2.72Å; S14-V51 PolarHBondContact O-N 3.1Å; S14-V52 PolarHBondContact O-N 3.38Å
15G96Very high98Very high10 Ų1047.8 Ų47.810%0.10322%0.221CC..SBendtrans102.2-18.3-179.200000113.6N13 A46 T47N13-G15 PolarHBondContact O-N 3.47Å; G15-A46 CarbonylContact O-C 3.6Å; G15-A46 WeakPolarHBondContact O-CA 3.48Å; G15-T47 VanDerWaalsContact CA-OG1 3.23Å; G15-T47 WeakPolarHBondContact CA-OG1 3.5Å; G15-T47 PolarHBondContact O-N 3.1Å; G15-T47 PolarHBondContact O-OG1 3.04Å; G15-T47 VanDerWaalsContact O-OG1 3.09Å
16A98.3Very high97.6Very high5 Ų543.7 Ų43.74%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-68142.3168.200000110.2V10 V43 V52 I86V10-A16 HydrophobicContact CB-CB 4.31Å; V10-A16 WeakPolarHBondContact CB-O 3.38Å; V10-A16 HydrophobicContact CG1-CB 4.25Å; V10-A16 HydrophobicContact CG2-CB 3.81Å; A16-V43 HydrophobicContact CB-CG1 3.86Å; A16-V43 HydrophobicContact CB-CG2 4.35Å; A16-V52 HydrophobicContact CB-CB 4.29Å; A16-V52 HydrophobicContact CB-CG1 4.11Å; A16-I86 HydrophobicContact CB-CD1 3.49Å; A16-I86 VanDerWaalsContact CB-CD1 3.49Å
17R98.2Very high97.1Very high147 Ų14745 Ų4556%0.55524%0.239SC*.EExtended strand (participates in β ladder)trans-111.2-41.8178-68.8-176.1172.4-177.6-1.7112V10 N45 T47V10-R17 PolarHBondContact N-O 3.24Å; R17-N45 HydrophobicContact CB-CB 4.27Å; R17-N45 PolarHBondContact N-O 3.35Å; R17-T47 HydrophobicContact CG-CG2 4.25Å
18E98.7Very high96.3Very high65 Ų6546.4 Ų46.430%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-140.1138.3-179.7-168.3-167.2-131.600110.3R7 L8 K44 N45R7-E18 IonicContact CZ-OE2 3.76Å; R7-E18 IonicContact NH1-OE2 2.72Å; R7-E18 PolarHBondContact NH1-OE2 2.9Å; L8-E18 WeakPolarHBondContact O-CA 3.45Å; E18-K44 PolarHBondContact O-N 2.72Å; E18-N45 HydrophobicContact CB-CB 4.1Å; E18-N45 PolarHBondContact N-O 3.47Å; E18-N45 PolarHBondContact O-N 2.99Å
19V98.8Very high95.7Very high0 Ų049.2 Ų49.20%030%0.296CS..EExtended strand (participates in β ladder)trans-123.9152175.3-61.20000111.1R7 L8 V10 C41 T42 V43 C84R7-V19 WeakPolarHBondContact CA-O 3.47Å; L8-V19 HydrophobicContact CB-CG2 4.02Å; L8-V19 PolarHBondContact N-O 3.27Å; L8-V19 PolarHBondContact O-N 2.9Å; V10-V19 HydrophobicContact CG2-CG1 3.6Å; V10-V19 HydrophobicContact CG2-CG2 4.41Å; V19-C41 HydrophobicContact CB-CB 3.72Å; V19-C41 HydrophobicContact CG1-CB 4.38Å; V19-C41 HydrophobicContact CG2-CB 3.97Å; V19-T42 WeakPolarHBondContact CA-O 3.43Å; V19-V43 HydrophobicContact CG1-CG2 4.1Å; V19-C84 VanDerWaalsContact CG2-SG 3.54Å
20L98.8Very high95.5Very high26 Ų2648.2 Ų48.214%0.13629%0.289CS..EExtended strand (participates in β ladder)trans-107.9125.8170177.774.6000108.9E5 R7 I22 C41 T42 K44E5-L20 HydrophobicContact CB-CD1 4.32Å; E5-L20 WeakPolarHBondContact O-CD1 3.31Å; R7-L20 HydrophobicContact CG-CD1 4.31Å; L20-I22 PolarHBondContact O-N 3.06Å; L20-C41 CarbonylContact O-C 3.45Å; L20-C41 WeakPolarHBondContact O-CA 3.38Å; L20-C41 VanDerWaalsContact O-CB 3.29Å; L20-C41 WeakPolarHBondContact O-CB 3.42Å; L20-T42 HydrophobicContact CB-CG2 3.84Å; L20-T42 HydrophobicContact CD2-CG2 4.14Å; L20-T42 HydrophobicContact CG-CG2 4.43Å; L20-T42 PolarHBondContact N-O 3.33Å; L20-T42 PolarHBondContact O-N 3.24Å; L20-K44 HydrophobicContact CB-CD 4.23Å; L20-K44 HydrophobicContact CB-CG 3.69Å
21T98.8Very high95.2Very high1 Ų155.9 Ų55.91%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-66.4126173.9-540000109.9I2 Q3 E5 T6 L8 V24 I39I2-T21 HydrophobicContact CG2-CG2 4.35Å; I2-T21 WeakPolarHBondContact CG2-OG1 3.47Å; Q3-T21 VanDerWaalsContact O-CB 3.29Å; Q3-T21 WeakPolarHBondContact O-CB 3.46Å; Q3-T21 WeakPolarHBondContact O-CG2 3.44Å; E5-T21 PolarHBondContact N-O 3.27Å; T6-T21 PolarHBondContact O-N 3.43Å; T6-T21 PolarHBondContact O-OG1 2.91Å; T6-T21 VanDerWaalsContact O-OG1 3.12Å; L8-T21 WeakPolarHBondContact CD1-OG1 3.37Å; T21-V24 HydrophobicContact CG2-CG2 4.43Å; T21-I39 HydrophobicContact CG2-CB 4.15Å; T21-I39 HydrophobicContact CG2-CD1 4.36Å; T21-I39 HydrophobicContact CG2-CG2 4.22Å
22I98Very high95.1Very high65 Ų6558.5 Ų58.533%0.33334%0.337SS..EExtended strand (participates in β ladder)trans-113.3-23.2175.760.6170.2000112.5L20 V40 T42 V57L20-I22 PolarHBondContact O-N 3.06Å; I22-V40 HydrophobicContact CD1-CG1 3.96Å; I22-V40 HydrophobicContact CG1-CB 4.21Å; I22-V40 HydrophobicContact CG1-CG1 3.99Å; I22-V40 VanDerWaalsContact CG1-O 3.25Å; I22-V40 WeakPolarHBondContact CG1-O 3.35Å; I22-V40 PolarHBondContact N-O 3.37Å; I22-T42 HydrophobicContact CG2-CG2 3.87Å; I22-V57 HydrophobicContact CD1-CG1 4.04Å
23K97.1Very high95.1Very high128 Ų12858.5 Ų58.556%0.55734%0.337SS*.EExtended strand (participates in β ladder)trans-152.2136.2175.5-177.3173.9-178.8172.70111L25 I39 V40K23-L25 HydrophobicContact CD-CD2 4.2Å; K23-L25 HydrophobicContact CG-CD2 4.28Å; K23-I39 WeakPolarHBondContact O-CA 3.37Å; K23-V40 HydrophobicContact CB-CB 4.12Å; K23-V40 HydrophobicContact CB-CG2 4.37Å; K23-V40 PolarHBondContact N-O 3.24Å; K23-V40 VanDerWaalsContact N-O 3.15Å; K23-V40 PolarHBondContact O-N 3.43Å
24V97.3Very high95Very high11 Ų1157.4 Ų57.47%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-89130.5167.6170.30000109T21 R30 A33 I39T21-V24 HydrophobicContact CG2-CG2 4.43Å; V24-R30 HydrophobicContact CG1-CB 4.38Å; V24-R30 HydrophobicContact CG1-CG 3.85Å; V24-A33 HydrophobicContact CB-CB 4.48Å; V24-A33 HydrophobicContact CG1-CB 3.79Å; V24-A33 HydrophobicContact CG2-CB 3.94Å; V24-I39 HydrophobicContact CG2-CG2 4.24Å
25L95.1Very high95Very high51 Ų5158.2 Ų58.227%0.26734%0.335SS..  trans-92.7157.9176-56.2-177.7000111.5K23 R30 V38 V40K23-L25 HydrophobicContact CD-CD2 4.2Å; K23-L25 HydrophobicContact CG-CD2 4.28Å; L25-R30 WeakPolarHBondContact O-CD 3Å; L25-R30 PolarHBondContact O-NH1 2.97Å; L25-V38 VanDerWaalsContact CB-O 3.29Å; L25-V38 WeakPolarHBondContact CB-O 3.37Å; L25-V38 HydrophobicContact CD1-CB 4.25Å; L25-V38 HydrophobicContact CD1-CG1 3.79Å; L25-V38 PolarHBondContact N-O 3.19Å; L25-V38 VanDerWaalsContact N-O 3.14Å; L25-V40 HydrophobicContact CD1-CG2 4.07Å; L25-V40 HydrophobicContact CD2-CG2 3.8Å; L25-V40 HydrophobicContact CG-CG2 4.02Å
26G90.2Very high95Very high65 Ų6558.4 Ų58.467%0.6734%0.337SS*.SBendtrans117.913.8178.800000115.5
27G87.6Confident95Very high53 Ų5359.6 Ų59.655%0.54634%0.343SS..SBendtrans144.9160.4173.100000113.1G29 R30G27-G29 VanDerWaalsContact C-N 3.29Å; G27-G29 PolarHBondContact O-N 3.35Å; G27-R30 PolarHBondContact O-N 3.05Å
28S82.3Confident94.9Very high144 Ų14454 Ų54100%1.00733%0.325SS*.THydrogen-bonded Turntrans-65.1-27.9-177.8500000113.9
29G86.3Confident94.9Very high62 Ų6250.9 Ų50.964%0.63931%0.31SS*.THydrogen-bonded Turntrans-102.11.4-179.600000115.3G27 K31G27-G29 VanDerWaalsContact C-N 3.29Å; G27-G29 PolarHBondContact O-N 3.35Å; G29-K31 PolarHBondContact O-N 3.18Å
30R93.3Very high94.9Very high97 Ų9752 Ų5237%0.36632%0.318SS..  trans-77112.8-172.9-166.1178-173.4-178.913.8110.9V24 L25 G27 T32 D37V24-R30 HydrophobicContact CG1-CB 4.38Å; V24-R30 HydrophobicContact CG1-CG 3.85Å; L25-R30 WeakPolarHBondContact O-CD 3Å; L25-R30 PolarHBondContact O-NH1 2.97Å; G27-R30 PolarHBondContact O-N 3.05Å; R30-T32 WeakPolarHBondContact CG-O 2.84Å; R30-T32 PolarHBondContact NE-O 3.16Å; R30-T32 VanDerWaalsContact NE-O 3.13Å; R30-D37 VanDerWaalsContact CZ-CG 3.5Å; R30-D37 IonicContact CZ-OD1 3.51Å; R30-D37 IonicContact CZ-OD2 3.14Å; R30-D37 IonicContact NH1-OD1 3.42Å; R30-D37 PolarHBondContact NH1-OD1 2.76Å; R30-D37 IonicContact NH1-OD2 2.75Å; R30-D37 IonicContact NH2-OD1 2.79Å; R30-D37 PolarHBondContact NH2-OD1 2.76Å; R30-D37 IonicContact NH2-OD2 2.74Å; R30-D37 PolarHBondContact NH2-OD2 2.74Å
31K93.7Very high94.9Very high174 Ų17450.8 Ų50.876%0.75731%0.311SS*.  trans-94-23.8-176.8-61.8-175.7-178.3-179.80114G29G29-K31 PolarHBondContact O-N 3.18Å
32T96.8Very high94.9Very high58 Ų5851.8 Ų51.836%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-132.6150.7-17263.80000111.8M1 I2 Q3 R30M1-T32 HydrophobicContact CE-CG2 4.36Å; M1-T32 HydrophobicContact CG-CG2 3.97Å; M1-T32 HydrophobicContact SD-CG2 3.63Å; I2-T32 CarbonylContact O-C 3.51Å; I2-T32 VanDerWaalsContact O-CA 3.28Å; I2-T32 WeakPolarHBondContact O-CA 3.27Å; Q3-T32 HydrophobicContact CB-CG2 4.5Å; R30-T32 WeakPolarHBondContact CG-O 2.84Å; R30-T32 PolarHBondContact NE-O 3.16Å; R30-T32 VanDerWaalsContact NE-O 3.13Å
33A97.2Very high94.9Very high3 Ų348.8 Ų48.83%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-132153.1179.900000110I2 V24 D37 I39 I62I2-A33 HydrophobicContact CB-CB 4.27Å; I2-A33 WeakPolarHBondContact CB-O 3.31Å; I2-A33 PolarHBondContact N-O 2.97Å; I2-A33 PolarHBondContact O-N 3.03Å; V24-A33 HydrophobicContact CB-CB 4.48Å; V24-A33 HydrophobicContact CG1-CB 3.79Å; V24-A33 HydrophobicContact CG2-CB 3.94Å; A33-D37 WeakPolarHBondContact CA-OD2 3.47Å; A33-D37 HydrophobicContact CB-CB 3.8Å; A33-I39 HydrophobicContact CB-CG2 3.74Å; A33-I62 HydrophobicContact CB-CD1 3.51Å
34N96Very high95Very high40 Ų4046.1 Ų46.121%0.21429%0.29CS..  trans-138.5-169.9176.1-146.7-30.5000110.2G36 D37 I62 T65 G68N34-G36 PolarHBondContact O-N 3.39Å; N34-D37 PolarHBondContact N-OD2 2.75Å; N34-D37 VanDerWaalsContact O-CB 3.28Å; N34-D37 WeakPolarHBondContact O-CB 3.38Å; N34-D37 PolarHBondContact O-N 3.47Å; N34-I62 WeakPolarHBondContact O-CB 3.29Å; N34-I62 WeakPolarHBondContact O-CD1 3.48Å; N34-T65 VanDerWaalsContact OD1-CG2 3.3Å; N34-T65 WeakPolarHBondContact OD1-CG2 3.3Å; N34-T65 PolarHBondContact OD1-OG1 3.04Å; N34-G68 PolarHBondContact ND2-O 3.43Å; N34-G68 PolarHBondContact OD1-O 2.88Å
35I97.2Very high95Very high17 Ų1749.1 Ų49.19%0.08731%0.306CS..THydrogen-bonded Turntrans-52.3134.7-179.4-56175.5000110.6D37 I62 T65 V69 F79 A103 E105 L106I35-D37 VanDerWaalsContact C-N 3.28Å; I35-D37 PolarHBondContact O-N 2.83Å; I35-I62 WeakPolarHBondContact CA-O 3.35Å; I35-I62 HydrophobicContact CG1-CG2 4.47Å; I35-T65 HydrophobicContact CG1-CG2 3.79Å; I35-V69 HydrophobicContact CD1-CG1 4.1Å; I35-F79 HydrophobicContact CD1-CD2 4.07Å; I35-F79 HydrophobicContact CD1-CE2 3.69Å; I35-A103 HydrophobicContact CD1-CB 3.87Å; I35-A103 HydrophobicContact CG2-CB 3.82Å; I35-E105 HydrophobicContact CG2-CB 4.25Å; I35-L106 HydrophobicContact CG2-CD2 4.28Å
36G96.3Very high95.2Very high15 Ų1547.7 Ų47.716%0.15530%0.301CS..THydrogen-bonded Turntrans87.1-17.8-177.200000114.7N34 I62 F111N34-G36 PolarHBondContact O-N 3.39Å; G36-I62 PolarHBondContact N-O 2.86Å; G36-F111 WeakPolarHBondContact O-CE2 3.09Å
37D96.6Very high95.5Very high30 Ų3046.8 Ų46.816%0.1628%0.283CS..  trans-77148.2176.3-67.4-48.8000112.3R30 A33 N34 I35 V61 I62R30-D37 VanDerWaalsContact CZ-CG 3.5Å; R30-D37 IonicContact CZ-OD1 3.51Å; R30-D37 IonicContact CZ-OD2 3.14Å; R30-D37 IonicContact NH1-OD1 3.42Å; R30-D37 PolarHBondContact NH1-OD1 2.76Å; R30-D37 IonicContact NH1-OD2 2.75Å; R30-D37 IonicContact NH2-OD1 2.79Å; R30-D37 PolarHBondContact NH2-OD1 2.76Å; R30-D37 IonicContact NH2-OD2 2.74Å; R30-D37 PolarHBondContact NH2-OD2 2.74Å; A33-D37 WeakPolarHBondContact CA-OD2 3.47Å; A33-D37 HydrophobicContact CB-CB 3.8Å; N34-D37 PolarHBondContact N-OD2 2.75Å; N34-D37 VanDerWaalsContact O-CB 3.28Å; N34-D37 WeakPolarHBondContact O-CB 3.38Å; N34-D37 PolarHBondContact O-N 3.47Å; I35-D37 VanDerWaalsContact C-N 3.28Å; I35-D37 PolarHBondContact O-N 2.83Å; D37-V61 WeakPolarHBondContact O-CA 3.28Å; D37-I62 HydrophobicContact CB-CD1 4.35Å; D37-I62 PolarHBondContact O-N 3.28Å
38V97.4Very high95.7Very high28 Ų2850.5 Ų50.517%0.1730%0.298CS..EExtended strand (participates in β ladder)trans-95.3133.8173.6-174.70000110.1L25 K59 A60 I87 F111L25-V38 VanDerWaalsContact CB-O 3.29Å; L25-V38 WeakPolarHBondContact CB-O 3.37Å; L25-V38 HydrophobicContact CD1-CB 4.25Å; L25-V38 HydrophobicContact CD1-CG1 3.79Å; L25-V38 PolarHBondContact N-O 3.19Å; L25-V38 VanDerWaalsContact N-O 3.14Å; V38-K59 HydrophobicContact CG1-CB 4.2Å; V38-A60 CarbonylContact C-O 3.55Å; V38-A60 WeakPolarHBondContact CA-O 3.23Å; V38-I87 HydrophobicContact CG1-CD1 3.86Å; V38-I87 HydrophobicContact CG2-CD1 3.86Å; V38-F111 HydrophobicContact CG2-CZ 3.77Å
39I98.1Very high96.1Very high0 Ų048 Ų480%029%0.294CS..EExtended strand (participates in β ladder)trans-122.6152.1175.754.4174.4000109.8I2 L8 T21 K23 V24 A33 C41 K59 A60 I62I2-I39 HydrophobicContact CG2-CD1 4.15Å; L8-I39 HydrophobicContact CD1-CD1 3.87Å; L8-I39 HydrophobicContact CD2-CD1 4.13Å; T21-I39 HydrophobicContact CG2-CB 4.15Å; T21-I39 HydrophobicContact CG2-CD1 4.36Å; T21-I39 HydrophobicContact CG2-CG2 4.22Å; K23-I39 WeakPolarHBondContact O-CA 3.37Å; V24-I39 HydrophobicContact CG2-CG2 4.24Å; A33-I39 HydrophobicContact CB-CG2 3.74Å; I39-C41 WeakPolarHBondContact CD1-SG 3.49Å; I39-C41 VanDerWaalsContact CG1-SG 3.51Å; I39-K59 WeakPolarHBondContact O-CA 3.41Å; I39-A60 HydrophobicContact CG1-CB 4.33Å; I39-A60 WeakPolarHBondContact CG1-O 3.33Å; I39-A60 PolarHBondContact N-O 3.13Å; I39-A60 PolarHBondContact O-N 3.09Å; I39-I62 HydrophobicContact CD1-CD1 4.26Å; I39-I62 HydrophobicContact CD1-CG1 3.93Å; I39-I62 HydrophobicContact CG1-CG1 4.3Å; I39-I62 HydrophobicContact CG2-CD1 3.9Å; I39-I62 HydrophobicContact CG2-CG1 4.5Å
40V98.4Very high96.4Very high25 Ų2545.9 Ų45.915%0.15227%0.273CS..EExtended strand (participates in β ladder)trans-96.6131.7166.1-172.20000107.5I22 K23 L25 V57 V58I22-V40 HydrophobicContact CD1-CG1 3.96Å; I22-V40 HydrophobicContact CG1-CB 4.21Å; I22-V40 HydrophobicContact CG1-CG1 3.99Å; I22-V40 VanDerWaalsContact CG1-O 3.25Å; I22-V40 WeakPolarHBondContact CG1-O 3.35Å; I22-V40 PolarHBondContact N-O 3.37Å; K23-V40 HydrophobicContact CB-CB 4.12Å; K23-V40 HydrophobicContact CB-CG2 4.37Å; K23-V40 PolarHBondContact N-O 3.24Å; K23-V40 VanDerWaalsContact N-O 3.15Å; K23-V40 PolarHBondContact O-N 3.43Å; L25-V40 HydrophobicContact CD1-CG2 4.07Å; L25-V40 HydrophobicContact CD2-CG2 3.8Å; L25-V40 HydrophobicContact CG-CG2 4.02Å; V40-V57 HydrophobicContact CG1-CG1 3.5Å; V40-V58 WeakPolarHBondContact CA-O 3.47Å
41C98.6Very high96.2Very high0 Ų045.8 Ų45.80%028%0.282CS..EExtended strand (participates in β ladder)trans-132.6153.9-176.2-54.30000111.7V19 L20 I39 V57 V58V19-C41 HydrophobicContact CB-CB 3.72Å; V19-C41 HydrophobicContact CG1-CB 4.38Å; V19-C41 HydrophobicContact CG2-CB 3.97Å; L20-C41 CarbonylContact O-C 3.45Å; L20-C41 WeakPolarHBondContact O-CA 3.38Å; L20-C41 VanDerWaalsContact O-CB 3.29Å; L20-C41 WeakPolarHBondContact O-CB 3.42Å; I39-C41 WeakPolarHBondContact CD1-SG 3.49Å; I39-C41 VanDerWaalsContact CG1-SG 3.51Å; C41-V57 CarbonylContact O-C 3.58Å; C41-V57 WeakPolarHBondContact O-CA 3.21Å; C41-V58 HydrophobicContact CB-CG2 4.36Å; C41-V58 PolarHBondContact N-O 3.36Å; C41-V58 PolarHBondContact O-N 3.01Å
42T98.8Very high96.3Very high22 Ų2237.5 Ų37.514%0.13525%0.246CC..EExtended strand (participates in β ladder)trans-98.6137.1162177.80000109.7V19 L20 I22 K44 G55 D56V19-T42 WeakPolarHBondContact CA-O 3.43Å; L20-T42 HydrophobicContact CB-CG2 3.84Å; L20-T42 HydrophobicContact CD2-CG2 4.14Å; L20-T42 HydrophobicContact CG-CG2 4.43Å; L20-T42 PolarHBondContact N-O 3.33Å; L20-T42 PolarHBondContact O-N 3.24Å; I22-T42 HydrophobicContact CG2-CG2 3.87Å; T42-K44 HydrophobicContact CG2-CD 4.09Å; T42-K44 HydrophobicContact CG2-CG 4.48Å; T42-K44 PolarHBondContact O-N 3.44Å; T42-G55 PolarHBondContact OG1-O 2.87Å; T42-D56 CarbonylContact C-O 3.58Å; T42-D56 WeakPolarHBondContact CA-O 3.24Å
43V98.7Very high96.3Very high1 Ų141.7 Ų41.71%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-78.3119.4179.91790000109.3A16 V19 A46 V52 K53 G55 D56 V58A16-V43 HydrophobicContact CB-CG1 3.86Å; A16-V43 HydrophobicContact CB-CG2 4.35Å; V19-V43 HydrophobicContact CG1-CG2 4.1Å; V43-A46 HydrophobicContact CG1-CB 4.05Å; V43-V52 HydrophobicContact CB-CG1 4.33Å; V43-V52 HydrophobicContact CG1-CG1 4.31Å; V43-V52 HydrophobicContact CG2-CG1 3.43Å; V43-V52 VanDerWaalsContact CG2-CG1 3.43Å; V43-K53 WeakPolarHBondContact CB-O 3.48Å; V43-K53 WeakPolarHBondContact CG1-O 3.37Å; V43-G55 PolarHBondContact O-N 3.14Å; V43-D56 HydrophobicContact CG2-CB 4.2Å; V43-D56 WeakPolarHBondContact CG2-O 3.43Å; V43-D56 PolarHBondContact N-O 2.91Å; V43-V58 HydrophobicContact CG2-CG1 4.09Å; V43-V58 HydrophobicContact CG2-CG2 3.9Å
44K98.7Very high96.3Very high72 Ų7249.1 Ų49.131%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-99.1-31.5-174-66.8-63.1-157.2-1700112.8E18 L20 T42 K54E18-K44 PolarHBondContact O-N 2.72Å; L20-K44 HydrophobicContact CB-CD 4.23Å; L20-K44 HydrophobicContact CB-CG 3.69Å; T42-K44 HydrophobicContact CG2-CD 4.09Å; T42-K44 HydrophobicContact CG2-CG 4.48Å; T42-K44 PolarHBondContact O-N 3.44Å; K44-K54 WeakPolarHBondContact O-CE 3.47Å
45N98.5Very high96.4Very high74 Ų7449.4 Ų49.440%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-138.2136.8174-166.3-7.1000109.7R17 E18R17-N45 HydrophobicContact CB-CB 4.27Å; R17-N45 PolarHBondContact N-O 3.35Å; E18-N45 HydrophobicContact CB-CB 4.1Å; E18-N45 PolarHBondContact N-O 3.47Å; E18-N45 PolarHBondContact O-N 2.99Å
46A97.9Very high96.4Very high21 Ų2151 Ų5117%0.17431%0.313CS..EExtended strand (participates in β ladder)trans-145.6150.1178.700000110.3G15 V43G15-A46 CarbonylContact O-C 3.6Å; G15-A46 WeakPolarHBondContact O-CA 3.48Å; V43-A46 HydrophobicContact CG1-CB 4.05Å
47T96.6Very high96.5Very high46 Ų4655 Ų5528%0.28233%0.333SS..  trans-70.5143.1169.652.40000110.7G15 R17 G50G15-T47 VanDerWaalsContact CA-OG1 3.23Å; G15-T47 WeakPolarHBondContact CA-OG1 3.5Å; G15-T47 PolarHBondContact O-N 3.1Å; G15-T47 PolarHBondContact O-OG1 3.04Å; G15-T47 VanDerWaalsContact O-OG1 3.09Å; R17-T47 HydrophobicContact CG-CG2 4.25Å; T47-G50 PolarHBondContact O-N 2.94Å
48P93.5Very high96.6Very high132 Ų13254 Ų5486%0.85733%0.328SS*.THydrogen-bonded Turntrans-54140.8167.6-24.134.4000111.5G50P48-G50 VanDerWaalsContact C-N 3.25Å; P48-G50 PolarHBondContact O-N 3.15Å
49G90.7Very high96.7Very high90 Ų9056.5 Ų56.593%0.92834%0.337SS*.THydrogen-bonded Turntrans75.50.5178.800000116.1
50G90.5Very high96.7Very high19 Ų1956.5 Ų56.520%0.19634%0.337CS..  trans-64.115617500000113.7T47 P48 V52T47-G50 PolarHBondContact O-N 2.94Å; P48-G50 VanDerWaalsContact C-N 3.25Å; P48-G50 PolarHBondContact O-N 3.15Å; G50-V52 PolarHBondContact O-N 3.36Å
51V90.4Very high96.7Very high94 Ų9455.3 Ų55.357%0.5733%0.33SS*.SBendtrans-64.3-28.2174.9179.10000111.4S14 R94S14-V51 PolarHBondContact O-N 3.1Å; V51-R94 HydrophobicContact CG1-CG 4.31Å; V51-R94 PolarHBondContact O-NH2 3.44Å
52V95.1Very high96.7Very high0 Ų055.3 Ų55.30%033%0.33CS..SBendtrans-111.1131.5176.8-1780000108.9S14 A16 V43 G50 D56 V58 I86 R94S14-V52 PolarHBondContact O-N 3.38Å; A16-V52 HydrophobicContact CB-CB 4.29Å; A16-V52 HydrophobicContact CB-CG1 4.11Å; V43-V52 HydrophobicContact CB-CG1 4.33Å; V43-V52 HydrophobicContact CG1-CG1 4.31Å; V43-V52 HydrophobicContact CG2-CG1 3.43Å; V43-V52 VanDerWaalsContact CG2-CG1 3.43Å; G50-V52 PolarHBondContact O-N 3.36Å; V52-D56 HydrophobicContact CG1-CB 4.12Å; V52-V58 HydrophobicContact CG1-CG1 3.94Å; V52-I86 HydrophobicContact CG1-CD1 4.2Å; V52-I86 HydrophobicContact CG2-CD1 4.13Å; V52-I86 HydrophobicContact CG2-CG2 4.47Å; V52-R94 HydrophobicContact CG2-CG 4.48Å
53K96.5Very high96.7Very high147 Ų14754.2 Ų54.264%0.63932%0.323SS*.  trans-103.8160.4-177.8-61.1179.8-176.2177.70111.5V43 G55 D56V43-K53 WeakPolarHBondContact CB-O 3.48Å; V43-K53 WeakPolarHBondContact CG1-O 3.37Å; K53-G55 PolarHBondContact O-N 2.81Å; K53-D56 PolarHBondContact N-OD2 3.48Å; K53-D56 WeakPolarHBondContact O-CB 3.46Å; K53-D56 PolarHBondContact O-N 3.12Å
54K97.8Very high96.7Very high159 Ų15955 Ų5569%0.69133%0.326SS*.THydrogen-bonded Turntrans-60.4133.7170.8-178.8179.9178.2-176.30109.6K44K44-K54 WeakPolarHBondContact O-CE 3.47Å
55G97.9Very high96.7Very high45 Ų4551.6 Ų51.646%0.46431%0.311SS..THydrogen-bonded Turntrans95.3-22.8-177.400000114T42 V43 K53 V57T42-G55 PolarHBondContact OG1-O 2.87Å; V43-G55 PolarHBondContact O-N 3.14Å; K53-G55 PolarHBondContact O-N 2.81Å; G55-V57 PolarHBondContact O-N 3.16Å
56D98.3Very high96.6Very high52 Ų5254.4 Ų54.428%0.27832%0.32SS..  trans-55.9139.8-179.8-72.7-3000111.3T42 V43 V52 K53 V58T42-D56 CarbonylContact C-O 3.58Å; T42-D56 WeakPolarHBondContact CA-O 3.24Å; V43-D56 HydrophobicContact CG2-CB 4.2Å; V43-D56 WeakPolarHBondContact CG2-O 3.43Å; V43-D56 PolarHBondContact N-O 2.91Å; V52-D56 HydrophobicContact CG1-CB 4.12Å; K53-D56 PolarHBondContact N-OD2 3.48Å; K53-D56 WeakPolarHBondContact O-CB 3.46Å; K53-D56 PolarHBondContact O-N 3.12Å; D56-V58 HydrophobicContact CB-CG1 4.18Å
57V98.5Very high96.6Very high97 Ų9755.5 Ų55.559%0.58833%0.326SS*.EExtended strand (participates in β ladder)trans-93.2123.9169.6-179.60000108.3I22 V40 C41 G55I22-V57 HydrophobicContact CD1-CG1 4.04Å; V40-V57 HydrophobicContact CG1-CG1 3.5Å; C41-V57 CarbonylContact O-C 3.58Å; C41-V57 WeakPolarHBondContact O-CA 3.21Å; G55-V57 PolarHBondContact O-N 3.16Å
58V98.5Very high96.3Very high9 Ų953.6 Ų53.66%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-133.5156.4-172.8-61.90000111.2V40 C41 V43 V52 D56 I86V40-V58 WeakPolarHBondContact CA-O 3.47Å; C41-V58 HydrophobicContact CB-CG2 4.36Å; C41-V58 PolarHBondContact N-O 3.36Å; C41-V58 PolarHBondContact O-N 3.01Å; V43-V58 HydrophobicContact CG2-CG1 4.09Å; V43-V58 HydrophobicContact CG2-CG2 3.9Å; V52-V58 HydrophobicContact CG1-CG1 3.94Å; D56-V58 HydrophobicContact CB-CG1 4.18Å; V58-I86 HydrophobicContact CB-CG2 4.05Å; V58-I86 HydrophobicContact CG1-CG2 4.35Å; V58-I86 HydrophobicContact CG2-CD1 4.06Å; V58-I86 HydrophobicContact CG2-CG1 4.26Å; V58-I86 HydrophobicContact CG2-CG2 4.39Å
59K98.5Very high96.4Very high81 Ų8149 Ų4935%0.35229%0.285SS..EExtended strand (participates in β ladder)trans-91.8141.5164.7-69.7176.5-176.1168.40109.3V38 I39 I87 D89V38-K59 HydrophobicContact CG1-CB 4.2Å; I39-K59 WeakPolarHBondContact O-CA 3.41Å; K59-I87 HydrophobicContact CB-CG1 3.94Å; K59-I87 PolarHBondContact O-N 2.93Å; K59-D89 IonicContact NZ-OD1 2.67Å; K59-D89 PolarHBondContact NZ-OD1 3.05Å
60A98.8Very high96.5Very high0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-140.8144.4175.800000110.6V38 I39 C84 V85V38-A60 CarbonylContact C-O 3.55Å; V38-A60 WeakPolarHBondContact CA-O 3.23Å; I39-A60 HydrophobicContact CG1-CB 4.33Å; I39-A60 WeakPolarHBondContact CG1-O 3.33Å; I39-A60 PolarHBondContact N-O 3.13Å; I39-A60 PolarHBondContact O-N 3.09Å; A60-C84 HydrophobicContact CB-CB 3.89Å; A60-V85 CarbonylContact C-O 3.6Å; A60-V85 WeakPolarHBondContact CA-O 3.38Å; A60-V85 WeakPolarHBondContact CB-O 3.13Å
61V98.6Very high96.8Very high0 Ų053.2 Ų53.20%027%0.267CS..EExtended strand (participates in β ladder)trans-94.7136.7168.463.60000109.3D37 V63 C84 V85 I87 L106 F111 I114D37-V61 WeakPolarHBondContact O-CA 3.28Å; V61-V63 HydrophobicContact CG1-CG1 4.13Å; V61-C84 CarbonylContact O-C 3.56Å; V61-C84 WeakPolarHBondContact O-CA 3.36Å; V61-C84 WeakPolarHBondContact O-CB 3.31Å; V61-V85 HydrophobicContact CG1-CB 4.18Å; V61-V85 PolarHBondContact N-O 3.12Å; V61-V85 PolarHBondContact O-N 2.9Å; V61-I87 HydrophobicContact CB-CD1 4.42Å; V61-I87 HydrophobicContact CB-CG2 4.43Å; V61-I87 HydrophobicContact CG1-CG2 3.88Å; V61-L106 HydrophobicContact CG2-CD2 3.88Å; V61-F111 HydrophobicContact CB-CD1 4.27Å; V61-F111 HydrophobicContact CB-CE1 3.82Å; V61-F111 HydrophobicContact CB-CE2 4.22Å; V61-F111 HydrophobicContact CB-CZ 3.8Å; V61-F111 HydrophobicContact CG1-CD1 4.05Å; V61-F111 HydrophobicContact CG1-CE1 4.06Å; V61-F111 HydrophobicContact CG1-CG 4.43Å; V61-F111 HydrophobicContact CG1-CZ 4.47Å; V61-F111 HydrophobicContact CG2-CD1 4.33Å; V61-F111 HydrophobicContact CG2-CD2 3.84Å; V61-F111 HydrophobicContact CG2-CE1 4.01Å; V61-F111 HydrophobicContact CG2-CE2 3.48Å; V61-F111 VanDerWaalsContact CG2-CE2 3.48Å; V61-F111 HydrophobicContact CG2-CG 4.25Å; V61-F111 HydrophobicContact CG2-CZ 3.58Å; V61-I114 HydrophobicContact CG1-CD1 3.52Å
62I98.6Very high96.8Very high0 Ų056.5 Ų56.50%028%0.281CS..EExtended strand (participates in β ladder)trans-76.8125.8176-62158.2000108.9I2 L8 A33 N34 I35 G36 D37 I39 T65I2-I62 HydrophobicContact CB-CD1 3.76Å; I2-I62 HydrophobicContact CG1-CD1 3.63Å; I2-I62 HydrophobicContact CG1-CG1 4.2Å; I2-I62 HydrophobicContact CG1-CG2 4.3Å; I2-I62 HydrophobicContact CG2-CD1 4.08Å; L8-I62 HydrophobicContact CD2-CG1 4.15Å; A33-I62 HydrophobicContact CB-CD1 3.51Å; N34-I62 WeakPolarHBondContact O-CB 3.29Å; N34-I62 WeakPolarHBondContact O-CD1 3.48Å; I35-I62 WeakPolarHBondContact CA-O 3.35Å; I35-I62 HydrophobicContact CG1-CG2 4.47Å; G36-I62 PolarHBondContact N-O 2.86Å; D37-I62 HydrophobicContact CB-CD1 4.35Å; D37-I62 PolarHBondContact O-N 3.28Å; I39-I62 HydrophobicContact CD1-CD1 4.26Å; I39-I62 HydrophobicContact CD1-CG1 3.93Å; I39-I62 HydrophobicContact CG1-CG1 4.3Å; I39-I62 HydrophobicContact CG2-CD1 3.9Å; I39-I62 HydrophobicContact CG2-CG1 4.5Å; I62-T65 HydrophobicContact CG2-CG2 3.3Å
63V98.4Very high96.8Very high0 Ų061.9 Ų61.90%031%0.31CS..EExtended strand (participates in β ladder)trans-112.4-21.9-177.8-57.70000113.3A11 V61 A83 V85 V102 A103 L106 I114A11-V63 HydrophobicContact CB-CG2 4.14Å; V61-V63 HydrophobicContact CG1-CG1 4.13Å; V63-A83 HydrophobicContact CG2-CB 4.23Å; V63-A83 WeakPolarHBondContact CG2-O 3.47Å; V63-A83 PolarHBondContact N-O 3.33Å; V63-V85 HydrophobicContact CG1-CB 4.14Å; V63-V85 HydrophobicContact CG1-CG2 3.67Å; V63-V85 HydrophobicContact CG2-CG2 4.17Å; V63-V102 HydrophobicContact CB-CB 4.38Å; V63-V102 HydrophobicContact CB-CG1 4.01Å; V63-V102 HydrophobicContact CG1-CG1 4.44Å; V63-V102 HydrophobicContact CG2-CG1 4.36Å; V63-A103 PolarHBondContact O-N 3.06Å; V63-L106 HydrophobicContact CB-CD1 4.06Å; V63-L106 HydrophobicContact CG1-CD1 3.65Å; V63-L106 HydrophobicContact CG1-CD2 4.17Å; V63-I114 HydrophobicContact CG1-CG2 4.4Å
64R98.1Very high96.7Very high18 Ų1856.3 Ų56.37%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-141.6141.4176.3-64.5-168.8-74.6-98.66.7110.4F79 E81 N82 A83 F99 P101R64-F79 HydrophobicContact CB-CB 3.82Å; R64-F79 HydrophobicContact CB-CD1 4.02Å; R64-F79 HydrophobicContact CB-CD2 3.96Å; R64-F79 HydrophobicContact CB-CG 3.66Å; R64-F79 HydrophobicContact CG-CB 4.25Å; R64-F79 HydrophobicContact CG-CD1 3.5Å; R64-F79 HydrophobicContact CG-CD2 4.15Å; R64-F79 HydrophobicContact CG-CE1 3.74Å; R64-F79 HydrophobicContact CG-CE2 4.38Å; R64-F79 HydrophobicContact CG-CG 3.7Å; R64-F79 HydrophobicContact CG-CZ 4.18Å; R64-E81 CarbonylContact C-O 3.59Å; R64-E81 WeakPolarHBondContact CB-O 3.18Å; R64-E81 IonicContact CZ-OE1 3.48Å; R64-E81 IonicContact NE-OE1 3.82Å; R64-E81 PolarHBondContact NE-OE1 3.11Å; R64-E81 IonicContact NH2-OE1 2.76Å; R64-E81 PolarHBondContact NH2-OE1 3.48Å; R64-N82 WeakPolarHBondContact O-CA 3.39Å; R64-A83 HydrophobicContact CB-CB 4.03Å; R64-A83 HydrophobicContact CG-CB 4.44Å; R64-A83 PolarHBondContact N-O 3.01Å; R64-A83 VanDerWaalsContact N-O 3.16Å; R64-A83 PolarHBondContact O-N 2.94Å; R64-F99 PolarHBondContact NH1-O 3.02Å; R64-F99 PolarHBondContact NH2-O 2.7Å; R64-P101 WeakPolarHBondContact CD-O 3.26Å; R64-P101 PolarHBondContact NH1-O 2.95Å
65T98.3Very high96.5Very high0 Ų051 Ų510%028%0.277CS..  trans-140.2146.2171.571.60000113.2I2 N34 I35 I62 S67 G68 F79 N82I2-T65 HydrophobicContact CD1-CG2 4.31Å; I2-T65 HydrophobicContact CG1-CG2 4.06Å; N34-T65 VanDerWaalsContact OD1-CG2 3.3Å; N34-T65 WeakPolarHBondContact OD1-CG2 3.3Å; N34-T65 PolarHBondContact OD1-OG1 3.04Å; I35-T65 HydrophobicContact CG1-CG2 3.79Å; I62-T65 HydrophobicContact CG2-CG2 3.3Å; T65-S67 PolarHBondContact OG1-OG 2.87Å; T65-G68 PolarHBondContact O-N 2.71Å; T65-G68 WeakPolarHBondContact OG1-CA 3.47Å; T65-G68 PolarHBondContact OG1-N 2.86Å; T65-G68 VanDerWaalsContact OG1-N 3.11Å; T65-F79 PolarHBondContact O-N 3.42Å; T65-N82 WeakPolarHBondContact CA-OD1 3.28Å
66K98Very high96.4Very high133 Ų13355.7 Ų55.758%0.57828%0.282SS*.SBendtrans-69.5-29171.7-72.7-176.9166.5-175.20114.2G68 F79 D80 N82K66-G68 VanDerWaalsContact C-N 3.27Å; K66-F79 WeakPolarHBondContact CA-O 3.4Å; K66-D80 WeakPolarHBondContact CE-O 3.17Å; K66-N82 PolarHBondContact N-OD1 3.14Å
67S96.3Very high96.2Very high44 Ų4453.9 Ų53.931%0.30827%0.272SS..SBendtrans-73.9-26.2175.158.50000112.2M1 T65 K78M1-S67 VanDerWaalsContact CA-OG 3.31Å; M1-S67 WeakPolarHBondContact CA-OG 3.42Å; M1-S67 PolarHBondContact N-OG 2.86Å; T65-S67 PolarHBondContact OG1-OG 2.87Å; S67-K78 VanDerWaalsContact O-CE 3.23Å; S67-K78 WeakPolarHBondContact O-CE 3.34Å
68G91.8Very high96.1Very high5 Ų555.7 Ų55.75%0.05227%0.272CS..  trans69.5-176.9-172.200000114.8N34 T65 K66 I77N34-G68 PolarHBondContact ND2-O 3.43Å; N34-G68 PolarHBondContact OD1-O 2.88Å; T65-G68 PolarHBondContact O-N 2.71Å; T65-G68 WeakPolarHBondContact OG1-CA 3.47Å; T65-G68 PolarHBondContact OG1-N 2.86Å; T65-G68 VanDerWaalsContact OG1-N 3.11Å; K66-G68 VanDerWaalsContact C-N 3.27Å; G68-I77 CarbonylContact C-O 3.58Å; G68-I77 WeakPolarHBondContact CA-O 3.32Å
69V93.9Very high96.1Very high36 Ų3656.2 Ų56.222%0.21827%0.274CS..EExtended strand (participates in β ladder)trans-132.9146175.763.10000109.2I35 Y76 I77 E105I35-V69 HydrophobicContact CD1-CG1 4.1Å; V69-Y76 WeakPolarHBondContact O-CA 2.79Å; V69-I77 HydrophobicContact CG1-CG2 3.42Å; V69-I77 VanDerWaalsContact CG1-CG2 3.42Å; V69-I77 PolarHBondContact N-O 2.83Å; V69-I77 PolarHBondContact O-N 2.91Å; V69-E105 HydrophobicContact CG1-CG 4.05Å
70R94.8Very high96Very high162 Ų16259.9 Ų59.961%0.61130%0.297SS*.EExtended strand (participates in β ladder)trans-88.3134.6174.3-171.3-177.5-178.7-177.5-2.9108.8S75 Y76R70-S75 WeakPolarHBondContact CA-O 3.25Å; R70-Y76 HydrophobicContact CB-CD1 3.95Å; R70-Y76 HydrophobicContact CB-CE1 3.64Å; R70-Y76 HydrophobicContact CG-CD1 4.34Å; R70-Y76 HydrophobicContact CG-CE1 3.91Å; R70-Y76 HydrophobicContact CG-CE2 4.1Å
71R95Very high96Very high36 Ų3662.2 Ų62.214%0.13631%0.308CS..  trans-95.1163.4177.8-70.4173171.8164.8-6.2111.1D73 G74 S75 E105 L122R71-D73 VanDerWaalsContact CB-OD1 3.22Å; R71-D73 WeakPolarHBondContact CB-OD1 3.33Å; R71-D73 PolarHBondContact O-N 2.81Å; R71-G74 WeakPolarHBondContact O-CA 3.47Å; R71-G74 PolarHBondContact O-N 2.79Å; R71-S75 WeakPolarHBondContact CD-OG 3.45Å; R71-S75 PolarHBondContact N-O 2.86Å; R71-E105 WeakPolarHBondContact CG-OE1 3.3Å; R71-E105 IonicContact CZ-OE1 3.72Å; R71-E105 IonicContact NE-OE1 2.9Å; R71-E105 PolarHBondContact NE-OE1 2.76Å; R71-E105 IonicContact NH2-OE1 3.6Å; R71-E105 IonicContact NH2-OE2 3.86Å; R71-L122 PolarHBondContact NH2-O 2.84Å; R71-L122 PolarHBondContact NH2-OXT 3.44Å
72N91.8Very high96Very high163 Ų16363.6 Ų63.687%0.87232%0.315SS*.THydrogen-bonded Turntrans-63.7-26.6-177.9-63.8-20.6000113.2G74N72-G74 PolarHBondContact O-N 3.49Å
73D94.5Very high96Very high113 Ų11363.6 Ų63.660%0.60432%0.315SS*.THydrogen-bonded Turntrans-771.8172.662.26.5000113.2R71 S75R71-D73 VanDerWaalsContact CB-OD1 3.22Å; R71-D73 WeakPolarHBondContact CB-OD1 3.33Å; R71-D73 PolarHBondContact O-N 2.81Å; D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.84Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.48Å; D73-S75 PolarHBondContact OD1-OG 2.87Å; D73-S75 PolarHBondContact OD2-OG 2.79Å
74G93.8Very high96Very high30 Ų3063.6 Ų63.631%0.30932%0.315SS..SBendtrans85.7-9-179.200000114.6R71 N72R71-G74 WeakPolarHBondContact O-CA 3.47Å; R71-G74 PolarHBondContact O-N 2.79Å; N72-G74 PolarHBondContact O-N 3.49Å
75S95.2Very high96Very high46 Ų4662.8 Ų62.832%0.32231%0.312SS..  trans-69.8162.5176.271.80000111.9R70 R71 D73R70-S75 WeakPolarHBondContact CA-O 3.25Å; R71-S75 WeakPolarHBondContact CD-OG 3.45Å; R71-S75 PolarHBondContact N-O 2.86Å; D73-S75 VanDerWaalsContact C-N 3.28Å; D73-S75 PolarHBondContact O-N 2.84Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.41Å; D73-S75 PolarHBondContact OD1-N 3.48Å; D73-S75 PolarHBondContact OD1-OG 2.87Å; D73-S75 PolarHBondContact OD2-OG 2.79Å
76Y94.4Very high96Very high144 Ų14462.8 Ų62.857%0.56531%0.312SS*.EExtended strand (participates in β ladder)trans-119.7134.6174-70.3-99.4000109.5V69 R70V69-Y76 WeakPolarHBondContact O-CA 2.79Å; R70-Y76 HydrophobicContact CB-CD1 3.95Å; R70-Y76 HydrophobicContact CB-CE1 3.64Å; R70-Y76 HydrophobicContact CG-CD1 4.34Å; R70-Y76 HydrophobicContact CG-CE1 3.91Å; R70-Y76 HydrophobicContact CG-CE2 4.1Å
77I95.3Very high96.1Very high14 Ų1456.9 Ų56.97%0.07229%0.287CS..EExtended strand (participates in β ladder)trans-106128.8164.8-176.1165.4000109.5G68 V69 F79 A103 L122G68-I77 CarbonylContact C-O 3.58Å; G68-I77 WeakPolarHBondContact CA-O 3.32Å; V69-I77 HydrophobicContact CG1-CG2 3.42Å; V69-I77 VanDerWaalsContact CG1-CG2 3.42Å; V69-I77 PolarHBondContact N-O 2.83Å; V69-I77 PolarHBondContact O-N 2.91Å; I77-F79 HydrophobicContact CD1-CE2 3.81Å; I77-F79 HydrophobicContact CD1-CZ 3.64Å; I77-F79 HydrophobicContact CG1-CD2 4.43Å; I77-F79 HydrophobicContact CG1-CE2 3.79Å; I77-F79 HydrophobicContact CG1-CZ 4.09Å; I77-A103 HydrophobicContact CD1-CB 4.41Å; I77-L122 HydrophobicContact CD1-CB 3.54Å; I77-L122 HydrophobicContact CD1-CD1 4.42Å
78K96.4Very high96.1Very high136 Ų13660.8 Ų60.859%0.59130%0.295SS*.  trans-131.4149.5176.1-72.1177.8-176.2-176.30108.8S67S67-K78 VanDerWaalsContact O-CE 3.23Å; S67-K78 WeakPolarHBondContact O-CE 3.34Å
79F97.8Very high96.2Very high20 Ų2067 Ų679%0.08833%0.327CS..  trans-118.9157.1177-65.1-94.7000110.4I35 R64 T65 K66 I77 E81 P101 A103 L122I35-F79 HydrophobicContact CD1-CD2 4.07Å; I35-F79 HydrophobicContact CD1-CE2 3.69Å; R64-F79 HydrophobicContact CB-CB 3.82Å; R64-F79 HydrophobicContact CB-CD1 4.02Å; R64-F79 HydrophobicContact CB-CD2 3.96Å; R64-F79 HydrophobicContact CB-CG 3.66Å; R64-F79 HydrophobicContact CG-CB 4.25Å; R64-F79 HydrophobicContact CG-CD1 3.5Å; R64-F79 HydrophobicContact CG-CD2 4.15Å; R64-F79 HydrophobicContact CG-CE1 3.74Å; R64-F79 HydrophobicContact CG-CE2 4.38Å; R64-F79 HydrophobicContact CG-CG 3.7Å; R64-F79 HydrophobicContact CG-CZ 4.18Å; T65-F79 PolarHBondContact O-N 3.42Å; K66-F79 WeakPolarHBondContact CA-O 3.4Å; I77-F79 HydrophobicContact CD1-CE2 3.81Å; I77-F79 HydrophobicContact CD1-CZ 3.64Å; I77-F79 HydrophobicContact CG1-CD2 4.43Å; I77-F79 HydrophobicContact CG1-CE2 3.79Å; I77-F79 HydrophobicContact CG1-CZ 4.09Å; F79-E81 PolarHBondContact O-N 3.22Å; F79-P101 HydrophobicContact CE1-CB 4.38Å; F79-P101 HydrophobicContact CE1-CG 4.21Å; F79-A103 HydrophobicContact CE2-CB 3.84Å; F79-A103 HydrophobicContact CZ-CB 3.81Å; F79-L122 HydrophobicContact CE1-CD1 3.97Å; F79-L122 HydrophobicContact CZ-CD1 4.43Å
80D97Very high96.2Very high158 Ų15871 Ų7185%0.84535%0.347SS*.SBendtrans-70.7-13.4178.9-60.3-34000113.3K66K66-D80 WeakPolarHBondContact CE-O 3.17Å
81E97.6Very high96.2Very high48 Ų4867.5 Ų67.522%0.22434%0.336CS..SBendtrans-143.2157.1-179.262.8175.8-151.600113.6K9 R64 F79K9-E81 VanDerWaalsContact CD-OE2 3.25Å; K9-E81 WeakPolarHBondContact CD-OE2 3.12Å; K9-E81 VanDerWaalsContact CE-OE2 3.3Å; K9-E81 WeakPolarHBondContact CE-OE2 3.38Å; K9-E81 IonicContact NZ-OE2 2.7Å; K9-E81 PolarHBondContact NZ-OE2 2.92Å; R64-E81 CarbonylContact C-O 3.59Å; R64-E81 WeakPolarHBondContact CB-O 3.18Å; R64-E81 IonicContact CZ-OE1 3.48Å; R64-E81 IonicContact NE-OE1 3.82Å; R64-E81 PolarHBondContact NE-OE1 3.11Å; R64-E81 IonicContact NH2-OE1 2.76Å; R64-E81 PolarHBondContact NH2-OE1 3.48Å; F79-E81 PolarHBondContact O-N 3.22Å
82N98.6Very high96.3Very high30 Ų3066.1 Ų66.116%0.1633%0.334CS..  trans-87.6119.8166.5-60.9-36.8000108.3I2 L8 K9 R64 T65 K66I2-N82 HydrophobicContact CD1-CB 3.75Å; I2-N82 VanDerWaalsContact CD1-CG 3.46Å; L8-N82 HydrophobicContact CD2-CB 4.21Å; L8-N82 HydrophobicContact CG-CB 4.07Å; K9-N82 PolarHBondContact N-O 2.92Å; R64-N82 WeakPolarHBondContact O-CA 3.39Å; T65-N82 WeakPolarHBondContact CA-OD1 3.28Å; K66-N82 PolarHBondContact N-OD1 3.14Å
83A98.7Very high96.5Very high0 Ų058.5 Ų58.50%029%0.293CS..EExtended strand (participates in β ladder)trans-136.2149.5178.600000111.7K9 A11 V63 R64K9-A83 CarbonylContact O-C 3.5Å; K9-A83 VanDerWaalsContact O-CA 3.25Å; K9-A83 WeakPolarHBondContact O-CA 3.4Å; A11-A83 HydrophobicContact CB-CB 4.1Å; V63-A83 HydrophobicContact CG2-CB 4.23Å; V63-A83 WeakPolarHBondContact CG2-O 3.47Å; V63-A83 PolarHBondContact N-O 3.33Å; R64-A83 HydrophobicContact CB-CB 4.03Å; R64-A83 HydrophobicContact CG-CB 4.44Å; R64-A83 PolarHBondContact N-O 3.01Å; R64-A83 VanDerWaalsContact N-O 3.16Å; R64-A83 PolarHBondContact O-N 2.94Å
84C98.8Very high96.6Very high0 Ų056.8 Ų56.80%028%0.278CS..EExtended strand (participates in β ladder)trans-135.7159.817864.40000111.5L8 K9 V10 A11 V19 A60 V61L8-C84 HydrophobicContact CD2-CB 4.05Å; K9-C84 PolarHBondContact O-N 2.99Å; V10-C84 CarbonylContact C-O 3.55Å; V10-C84 WeakPolarHBondContact CA-O 3.48Å; A11-C84 PolarHBondContact N-O 2.67Å; V19-C84 VanDerWaalsContact CG2-SG 3.54Å; A60-C84 HydrophobicContact CB-CB 3.89Å; V61-C84 CarbonylContact O-C 3.56Å; V61-C84 WeakPolarHBondContact O-CA 3.36Å; V61-C84 WeakPolarHBondContact O-CB 3.31Å
85V98.8Very high96.7Very high0 Ų055.7 Ų55.70%027%0.267CS..EExtended strand (participates in β ladder)trans-112.2131.81721710000107.9A11 D12 A60 V61 V63 P93 I98 I114A11-V85 HydrophobicContact CB-CG2 4.28Å; D12-V85 HydrophobicContact CB-CG1 4.25Å; A60-V85 CarbonylContact C-O 3.6Å; A60-V85 WeakPolarHBondContact CA-O 3.38Å; A60-V85 WeakPolarHBondContact CB-O 3.13Å; V61-V85 HydrophobicContact CG1-CB 4.18Å; V61-V85 PolarHBondContact N-O 3.12Å; V61-V85 PolarHBondContact O-N 2.9Å; V63-V85 HydrophobicContact CG1-CB 4.14Å; V63-V85 HydrophobicContact CG1-CG2 3.67Å; V63-V85 HydrophobicContact CG2-CG2 4.17Å; V85-P93 HydrophobicContact CG1-CB 3.97Å; V85-I98 HydrophobicContact CB-CD1 4.4Å; V85-I98 HydrophobicContact CG1-CD1 3.63Å; V85-I98 HydrophobicContact CG2-CD1 3.83Å; V85-I98 HydrophobicContact CG2-CG2 4.21Å; V85-I114 HydrophobicContact CB-CD1 4.09Å; V85-I114 HydrophobicContact CG1-CD1 3.71Å; V85-I114 HydrophobicContact CG1-CG1 4.15Å; V85-I114 HydrophobicContact CG1-CG2 4.48Å; V85-I114 HydrophobicContact CG2-CG2 4.13Å
86I98.7Very high96.8Very high0 Ų058.2 Ų58.20%028%0.28CS..EExtended strand (participates in β ladder)trans-73.9131.1178-63.6-178.6000108.6V10 D12 A16 V52 V58 P93 R94V10-I86 HydrophobicContact CG1-CD1 4.17Å; V10-I86 HydrophobicContact CG1-CG1 4.13Å; V10-I86 HydrophobicContact CG2-CD1 4.31Å; D12-I86 PolarHBondContact OD2-N 2.82Å; A16-I86 HydrophobicContact CB-CD1 3.49Å; A16-I86 VanDerWaalsContact CB-CD1 3.49Å; V52-I86 HydrophobicContact CG1-CD1 4.2Å; V52-I86 HydrophobicContact CG2-CD1 4.13Å; V52-I86 HydrophobicContact CG2-CG2 4.47Å; V58-I86 HydrophobicContact CB-CG2 4.05Å; V58-I86 HydrophobicContact CG1-CG2 4.35Å; V58-I86 HydrophobicContact CG2-CD1 4.06Å; V58-I86 HydrophobicContact CG2-CG1 4.26Å; V58-I86 HydrophobicContact CG2-CG2 4.39Å; I86-P93 WeakPolarHBondContact O-CA 3.41Å; I86-R94 HydrophobicContact CB-CB 4.38Å; I86-R94 HydrophobicContact CG2-CB 3.85Å; I86-R94 PolarHBondContact O-N 2.95Å
87I98.4Very high96.9Very high10 Ų1059.6 Ų59.65%0.05128%0.284CS..EExtended strand (participates in β ladder)trans-121.9155-175.861.6173.7000111.6V38 K59 V61 G92 F111 I114V38-I87 HydrophobicContact CG1-CD1 3.86Å; V38-I87 HydrophobicContact CG2-CD1 3.86Å; K59-I87 HydrophobicContact CB-CG1 3.94Å; K59-I87 PolarHBondContact O-N 2.93Å; V61-I87 HydrophobicContact CB-CD1 4.42Å; V61-I87 HydrophobicContact CB-CG2 4.43Å; V61-I87 HydrophobicContact CG1-CG2 3.88Å; I87-G92 CarbonylContact C-O 3.43Å; I87-G92 WeakPolarHBondContact CA-O 3.25Å; I87-F111 HydrophobicContact CD1-CE1 3.87Å; I87-F111 HydrophobicContact CD1-CZ 4.37Å; I87-F111 HydrophobicContact CG2-CE1 4.37Å; I87-I114 HydrophobicContact CG2-CD1 3.85Å
88R96.9Very high97Very high126 Ų12659.4 Ų59.448%0.47528%0.283SS..  trans-83.1176.9165.4-63.5-175.6-174.387.35.7110.1D90 K91 G92 P93R88-D90 VanDerWaalsContact CB-OD1 3.24Å; R88-D90 WeakPolarHBondContact CB-OD1 3.49Å; R88-D90 PolarHBondContact O-N 2.87Å; R88-K91 PolarHBondContact O-N 3.15Å; R88-K91 VanDerWaalsContact O-N 3.09Å; R88-G92 PolarHBondContact N-O 3.42Å; R88-P93 PolarHBondContact NH1-O 2.94Å
89D93.7Very high97.1Very high135 Ų13557.6 Ų57.672%0.72228%0.275SS*.THydrogen-bonded Turntrans-65.1-26.2178.4-67.5-44.6000113.4K59 K91K59-D89 IonicContact NZ-OD1 2.67Å; K59-D89 PolarHBondContact NZ-OD1 3.05Å; D89-K91 PolarHBondContact O-N 2.83Å
90D94.1Very high97.1Very high119 Ų11958 Ų5864%0.63629%0.286SS*.THydrogen-bonded Turntrans-79.59.9173.671.3-9000113.7R88 G92R88-D90 VanDerWaalsContact CB-OD1 3.24Å; R88-D90 WeakPolarHBondContact CB-OD1 3.49Å; R88-D90 PolarHBondContact O-N 2.87Å; D90-G92 PolarHBondContact O-N 3.25Å; D90-G92 VanDerWaalsContact O-N 3.12Å; D90-G92 WeakPolarHBondContact OD1-CA 3.2Å; D90-G92 PolarHBondContact OD1-N 3.04Å
91K94.3Very high97.1Very high89 Ų8952.1 Ų52.139%0.38726%0.256SS..SBendtrans63.33.8-173.6-59.5-177.8173.1-173.30115.4R88 D89 G109 F111R88-K91 PolarHBondContact O-N 3.15Å; R88-K91 VanDerWaalsContact O-N 3.09Å; D89-K91 PolarHBondContact O-N 2.83Å; K91-G109 PolarHBondContact NZ-O 2.96Å; K91-F111 HydrophobicContact CB-CD1 4.02Å; K91-F111 HydrophobicContact CB-CE1 3.66Å; K91-F111 HydrophobicContact CD-CE1 3.95Å; K91-F111 HydrophobicContact CD-CZ 4.01Å; K91-F111 HydrophobicContact CG-CE1 3.89Å; K91-F111 HydrophobicContact CG-CZ 4.29Å
92G96.5Very high97.2Very high8 Ų849.9 Ų49.98%0.08225%0.245CC..  trans-70.1142.6173.100000111.4I87 R88 D90 R94I87-G92 CarbonylContact C-O 3.43Å; I87-G92 WeakPolarHBondContact CA-O 3.25Å; R88-G92 PolarHBondContact N-O 3.42Å; D90-G92 PolarHBondContact O-N 3.25Å; D90-G92 VanDerWaalsContact O-N 3.12Å; D90-G92 WeakPolarHBondContact OD1-CA 3.2Å; D90-G92 PolarHBondContact OD1-N 3.04Å; G92-R94 PolarHBondContact O-N 2.74Å
93P97.9Very high97Very high2 Ų248.4 Ų48.41%0.01324%0.238CC..BIsolated β-bridgetrans-63.1139.3175.926.7-32.9000110.5V85 I86 R88 G95 I98 K113 I114 L117V85-P93 HydrophobicContact CG1-CB 3.97Å; I86-P93 WeakPolarHBondContact O-CA 3.41Å; R88-P93 PolarHBondContact NH1-O 2.94Å; P93-G95 CarbonylContact C-O 3.5Å; P93-I98 HydrophobicContact CB-CD1 4.33Å; P93-K113 HydrophobicContact CG-CD 4.34Å; P93-K113 HydrophobicContact CG-CG 4.1Å; P93-I114 HydrophobicContact CB-CG1 4.05Å; P93-I114 HydrophobicContact CG-CG1 4.12Å; P93-L117 HydrophobicContact CG-CD1 4.06Å
94R96.6Very high96.9Very high78 Ų7853.4 Ų53.429%0.29426%0.257SS..SBendtrans-75.4-34.1173.7-166.6169.8177.2179.2-7.5110.9V51 V52 I86 G92V51-R94 HydrophobicContact CG1-CG 4.31Å; V51-R94 PolarHBondContact O-NH2 3.44Å; V52-R94 HydrophobicContact CG2-CG 4.48Å; I86-R94 HydrophobicContact CB-CB 4.38Å; I86-R94 HydrophobicContact CG2-CB 3.85Å; I86-R94 PolarHBondContact O-N 2.95Å; G92-R94 PolarHBondContact O-N 2.74Å
95G95.6Very high96.7Very high7 Ų754.2 Ų54.27%0.07226%0.26CS..SBendtrans-73.1167.8165.500000112.7N13 P93N13-G95 WeakPolarHBondContact OD1-CA 3.35Å; P93-G95 CarbonylContact C-O 3.5Å
96T95.8Very high96.6Very high98 Ų9854.2 Ų54.260%0.60126%0.26SS*.SBendtrans-107.9-10.9177.758.40000113.4N13N13-T96 PolarHBondContact ND2-OG1 2.57Å; N13-T96 PolarHBondContact OD1-N 3.29Å
97R97Very high96.5Very high174 Ų17460 Ų6066%0.65728%0.282SS*.  trans-135.7143.1177.2-62-176-177.7-179.70.3110.1D12 N13 F99D12-R97 VanDerWaalsContact CA-O 3.26Å; D12-R97 WeakPolarHBondContact CA-O 3.29Å; D12-R97 WeakPolarHBondContact CB-O 3.38Å; N13-R97 PolarHBondContact N-O 2.81Å; N13-R97 PolarHBondContact OD1-N 2.81Å; N13-R97 PolarHBondContact OD1-O 2.88Å; R97-F99 HydrophobicContact CB-CE1 4.4Å
98I98.3Very high96.1Very high9 Ų966.7 Ų66.75%0.04631%0.313CS..BIsolated β-bridgetrans-109139.8178.1-54.3-56.1000109.2A11 D12 V85 P93 V102 I114 L117 A118A11-I98 WeakPolarHBondContact O-CA 3.07Å; D12-I98 HydrophobicContact CB-CD1 4Å; V85-I98 HydrophobicContact CB-CD1 4.4Å; V85-I98 HydrophobicContact CG1-CD1 3.63Å; V85-I98 HydrophobicContact CG2-CD1 3.83Å; V85-I98 HydrophobicContact CG2-CG2 4.21Å; P93-I98 HydrophobicContact CB-CD1 4.33Å; I98-V102 HydrophobicContact CG2-CG1 3.95Å; I98-I114 HydrophobicContact CD1-CG2 4.15Å; I98-I114 HydrophobicContact CG1-CG2 4.09Å; I98-I114 HydrophobicContact CG2-CG2 4.38Å; I98-L117 HydrophobicContact CB-CB 4.37Å; I98-L117 HydrophobicContact CG1-CB 3.67Å; I98-A118 HydrophobicContact CB-CB 4.46Å; I98-A118 HydrophobicContact CG2-CB 4.14Å
99F98.2Very high95.8Very high98 Ų9861.5 Ų61.543%0.4330%0.299SS..  trans-106.7128.8-175-54.5-39.7000112.5A11 D12 N13 R64 R97A11-F99 PolarHBondContact O-N 3.49Å; D12-F99 WeakPolarHBondContact O-CE2 3.42Å; N13-F99 HydrophobicContact CB-CE1 4.3Å; N13-F99 HydrophobicContact CB-CE2 4.35Å; N13-F99 HydrophobicContact CB-CZ 3.62Å; R64-F99 PolarHBondContact NH1-O 3.02Å; R64-F99 PolarHBondContact NH2-O 2.7Å; R97-F99 HydrophobicContact CB-CE1 4.4Å
100G97.4Very high95.8Very high29 Ų2961 Ų6130%0.29930%0.296SS..SBendtrans69.2-177.6176.700000113.5P119G100-P119 WeakPolarHBondContact O-CD 3.38Å
101P97.9Very high96Very high35 Ų3555.5 Ų55.523%0.22727%0.267CS..  trans-69.2151.3-175.428.6-35.4000111.7R64 F79 E120 L122R64-P101 WeakPolarHBondContact CD-O 3.26Å; R64-P101 PolarHBondContact NH1-O 2.95Å; F79-P101 HydrophobicContact CE1-CB 4.38Å; F79-P101 HydrophobicContact CE1-CG 4.21Å; P101-E120 WeakPolarHBondContact CA-O 3.37Å; P101-E120 HydrophobicContact CB-CB 4.15Å; P101-E120 HydrophobicContact CB-CG 4.39Å; P101-L122 HydrophobicContact CB-CD1 3.83Å; P101-L122 HydrophobicContact CB-CG 4.09Å; P101-L122 HydrophobicContact CG-CD1 4.31Å
102V98Very high96.1Very high0 Ų055.9 Ų55.90%027%0.271CS..BIsolated β-bridgetrans-123.8151.5170.8-58.30000110.1V63 I98 L106 A118 E120 V121 L122V63-V102 HydrophobicContact CB-CB 4.38Å; V63-V102 HydrophobicContact CB-CG1 4.01Å; V63-V102 HydrophobicContact CG1-CG1 4.44Å; V63-V102 HydrophobicContact CG2-CG1 4.36Å; I98-V102 HydrophobicContact CG2-CG1 3.95Å; V102-L106 HydrophobicContact CB-CD1 3.71Å; V102-L106 HydrophobicContact CG1-CD1 4.23Å; V102-L106 HydrophobicContact CG2-CD1 4Å; V102-A118 HydrophobicContact CB-CB 4.3Å; V102-A118 HydrophobicContact CG1-CB 3.84Å; V102-A118 HydrophobicContact CG2-CB 3.51Å; V102-E120 PolarHBondContact N-O 3.09Å; V102-V121 HydrophobicContact CG2-CG2 4.07Å; V102-V121 CarbonylContact O-C 3.5Å; V102-V121 VanDerWaalsContact O-CA 3.31Å; V102-V121 WeakPolarHBondContact O-CA 3.21Å; V102-L122 PolarHBondContact O-N 2.76Å
103A96.3Very high96.1Very high0 Ų061.8 Ų61.80%030%0.295CS..  trans-80145.8177.600000111.9I35 V63 I77 F79 E105 L106 L122I35-A103 HydrophobicContact CD1-CB 3.87Å; I35-A103 HydrophobicContact CG2-CB 3.82Å; V63-A103 PolarHBondContact O-N 3.06Å; I77-A103 HydrophobicContact CD1-CB 4.41Å; F79-A103 HydrophobicContact CE2-CB 3.84Å; F79-A103 HydrophobicContact CZ-CB 3.81Å; A103-E105 WeakPolarHBondContact CB-OE2 3.25Å; A103-E105 PolarHBondContact O-N 2.84Å; A103-E105 VanDerWaalsContact O-N 3.16Å; A103-L106 WeakPolarHBondContact O-CB 3.42Å; A103-L106 WeakPolarHBondContact O-CG 3.36Å; A103-L106 PolarHBondContact O-N 2.84Å; A103-L122 CarbonylContact C-O 3.52Å; A103-L122 WeakPolarHBondContact CA-O 3.04Å
104R95Very high96.1Very high105 Ų10561.7 Ų61.740%0.39629%0.294SS..G310 helixtrans-60.2-22.8179.369.6-175.1-163.1176.83.9113.5L106 R107 V121 L122R104-L106 PolarHBondContact O-N 2.91Å; R104-R107 VanDerWaalsContact O-CB 3.3Å; R104-R107 WeakPolarHBondContact O-CB 3.42Å; R104-R107 WeakPolarHBondContact O-CG 3.33Å; R104-R107 PolarHBondContact O-N 3.41Å; R104-V121 HydrophobicContact CB-CG1 4.14Å; R104-L122 WeakPolarHBondContact CB-O 3.5Å; R104-L122 WeakPolarHBondContact CG-O 3.32Å; R104-L122 PolarHBondContact N-O 2.96Å
105E95.7Very high96.2Very high17 Ų1758.3 Ų58.38%0.07928%0.282CS..G310 helixtrans-59-18177.2-66.773.3-159.100112I35 V69 R71 A103 R107 E108I35-E105 HydrophobicContact CG2-CB 4.25Å; V69-E105 HydrophobicContact CG1-CG 4.05Å; R71-E105 WeakPolarHBondContact CG-OE1 3.3Å; R71-E105 IonicContact CZ-OE1 3.72Å; R71-E105 IonicContact NE-OE1 2.9Å; R71-E105 PolarHBondContact NE-OE1 2.76Å; R71-E105 IonicContact NH2-OE1 3.6Å; R71-E105 IonicContact NH2-OE2 3.86Å; A103-E105 WeakPolarHBondContact CB-OE2 3.25Å; A103-E105 PolarHBondContact O-N 2.84Å; A103-E105 VanDerWaalsContact O-N 3.16Å; E105-R107 PolarHBondContact O-N 2.87Å; E105-E108 WeakPolarHBondContact O-CB 3.29Å; E105-E108 PolarHBondContact O-N 3.17Å
106L96.6Very high96.2Very high0 Ų062.8 Ų62.80%031%0.312CS..G310 helixtrans-62.1-24.2169.6-68-173.6000114.3I35 V61 V63 V102 A103 R104 E108 G109 F111 I114 V115I35-L106 HydrophobicContact CG2-CD2 4.28Å; V61-L106 HydrophobicContact CG2-CD2 3.88Å; V63-L106 HydrophobicContact CB-CD1 4.06Å; V63-L106 HydrophobicContact CG1-CD1 3.65Å; V63-L106 HydrophobicContact CG1-CD2 4.17Å; V102-L106 HydrophobicContact CB-CD1 3.71Å; V102-L106 HydrophobicContact CG1-CD1 4.23Å; V102-L106 HydrophobicContact CG2-CD1 4Å; A103-L106 WeakPolarHBondContact O-CB 3.42Å; A103-L106 WeakPolarHBondContact O-CG 3.36Å; A103-L106 PolarHBondContact O-N 2.84Å; R104-L106 PolarHBondContact O-N 2.91Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-G109 PolarHBondContact O-N 2.87Å; L106-F111 HydrophobicContact CB-CB 4.28Å; L106-F111 HydrophobicContact CD2-CD2 4.42Å; L106-F111 PolarHBondContact O-N 3.01Å; L106-I114 HydrophobicContact CD1-CG2 4.07Å; L106-V115 HydrophobicContact CB-CG2 3.66Å; L106-V115 HydrophobicContact CD1-CG2 4.39Å
107R95.6Very high96.3Very high122 Ų12261.2 Ų61.246%0.4630%0.3SS..THydrogen-bonded Turntrans-65.6-40.4176.1-65.2178.2-179.1-88.51.3110.9R104 E105 G109 N110 M112 V115R104-R107 VanDerWaalsContact O-CB 3.3Å; R104-R107 WeakPolarHBondContact O-CB 3.42Å; R104-R107 WeakPolarHBondContact O-CG 3.33Å; R104-R107 PolarHBondContact O-N 3.41Å; E105-R107 PolarHBondContact O-N 2.87Å; R107-G109 PolarHBondContact O-N 3.48Å; R107-N110 PolarHBondContact O-N 2.81Å; R107-N110 VanDerWaalsContact O-N 3.08Å; R107-M112 HydrophobicContact CB-SD 4.33Å; R107-M112 HydrophobicContact CG-SD 4.05Å; R107-V115 HydrophobicContact CG-CG1 4.31Å; R107-V115 HydrophobicContact CG-CG2 4.17Å
108E91.4Very high96.4Very high149 Ų14953.7 Ų53.770%0.69628%0.275SS*.THydrogen-bonded Turntrans-64.4-30.5177.9-58.1175.3-170.700111.6E105 L106 N110E105-E108 WeakPolarHBondContact O-CB 3.29Å; E105-E108 PolarHBondContact O-N 3.17Å; L106-E108 VanDerWaalsContact C-N 3.34Å; E108-N110 VanDerWaalsContact C-N 3.29Å; E108-N110 PolarHBondContact O-N 3.23Å
109G90.4Very high96.4Very high18 Ų1858 Ų5819%0.18630%0.303CS..THydrogen-bonded Turntrans-80.60.8175.400000115.6K91 L106 R107 F111K91-G109 PolarHBondContact NZ-O 2.96Å; L106-G109 PolarHBondContact O-N 2.87Å; R107-G109 PolarHBondContact O-N 3.48Å; G109-F111 WeakPolarHBondContact O-CD2 3.12Å; G109-F111 VanDerWaalsContact O-CE2 3.31Å; G109-F111 WeakPolarHBondContact O-CE2 3.35Å
110N93.7Very high96.3Very high123 Ų12358.4 Ų58.466%0.65831%0.306SS*.THydrogen-bonded Turntrans62.234.5-172.7-61.4-21.1000114.5R107 E108 M112R107-N110 PolarHBondContact O-N 2.81Å; R107-N110 VanDerWaalsContact O-N 3.08Å; E108-N110 VanDerWaalsContact C-N 3.29Å; E108-N110 PolarHBondContact O-N 3.23Å; N110-M112 VanDerWaalsContact C-N 3.29Å; N110-M112 PolarHBondContact O-N 3.25Å
111F97Very high96.3Very high4 Ų459.5 Ų59.52%0.01831%0.307CS..  trans-93.741177.3-64.2-79.1000112.9G36 V38 V61 I87 K91 L106 G109 K113 I114 V115G36-F111 WeakPolarHBondContact O-CE2 3.09Å; V38-F111 HydrophobicContact CG2-CZ 3.77Å; V61-F111 HydrophobicContact CB-CD1 4.27Å; V61-F111 HydrophobicContact CB-CE1 3.82Å; V61-F111 HydrophobicContact CB-CE2 4.22Å; V61-F111 HydrophobicContact CB-CZ 3.8Å; V61-F111 HydrophobicContact CG1-CD1 4.05Å; V61-F111 HydrophobicContact CG1-CE1 4.06Å; V61-F111 HydrophobicContact CG1-CG 4.43Å; V61-F111 HydrophobicContact CG1-CZ 4.47Å; V61-F111 HydrophobicContact CG2-CD1 4.33Å; V61-F111 HydrophobicContact CG2-CD2 3.84Å; V61-F111 HydrophobicContact CG2-CE1 4.01Å; V61-F111 HydrophobicContact CG2-CE2 3.48Å; V61-F111 VanDerWaalsContact CG2-CE2 3.48Å; V61-F111 HydrophobicContact CG2-CG 4.25Å; V61-F111 HydrophobicContact CG2-CZ 3.58Å; I87-F111 HydrophobicContact CD1-CE1 3.87Å; I87-F111 HydrophobicContact CD1-CZ 4.37Å; I87-F111 HydrophobicContact CG2-CE1 4.37Å; K91-F111 HydrophobicContact CB-CD1 4.02Å; K91-F111 HydrophobicContact CB-CE1 3.66Å; K91-F111 HydrophobicContact CD-CE1 3.95Å; K91-F111 HydrophobicContact CD-CZ 4.01Å; K91-F111 HydrophobicContact CG-CE1 3.89Å; K91-F111 HydrophobicContact CG-CZ 4.29Å; L106-F111 HydrophobicContact CB-CB 4.28Å; L106-F111 HydrophobicContact CD2-CD2 4.42Å; L106-F111 PolarHBondContact O-N 3.01Å; G109-F111 WeakPolarHBondContact O-CD2 3.12Å; G109-F111 VanDerWaalsContact O-CE2 3.31Å; G109-F111 WeakPolarHBondContact O-CE2 3.35Å; F111-K113 VanDerWaalsContact C-N 3.25Å; F111-K113 PolarHBondContact O-N 3.48Å; F111-K113 VanDerWaalsContact O-N 3.15Å; F111-I114 HydrophobicContact CB-CB 4.35Å; F111-I114 HydrophobicContact CB-CD1 4.18Å; F111-I114 HydrophobicContact CD1-CD1 3.87Å; F111-I114 HydrophobicContact CG-CD1 4.36Å; F111-I114 WeakPolarHBondContact O-CB 3.39Å; F111-I114 PolarHBondContact O-N 3.24Å; F111-V115 PolarHBondContact O-N 2.87Å; F111-V115 VanDerWaalsContact O-N 3.1Å
112M96.4Very high96.2Very high98 Ų9861.6 Ų61.648%0.48332%0.316SS..Hα-helixtrans-56.6-35.6-172-69.5-58.7-62.400113.8R107 N110 I114 V115 S116R107-M112 HydrophobicContact CB-SD 4.33Å; R107-M112 HydrophobicContact CG-SD 4.05Å; N110-M112 VanDerWaalsContact C-N 3.29Å; N110-M112 PolarHBondContact O-N 3.25Å; M112-I114 VanDerWaalsContact C-N 3.34Å; M112-I114 PolarHBondContact O-N 2.8Å; M112-V115 PolarHBondContact O-N 3.19Å; M112-S116 WeakPolarHBondContact O-CB 3.43Å; M112-S116 PolarHBondContact O-N 2.86Å
113K97.1Very high96.1Very high131 Ų13164.7 Ų64.757%0.5733%0.332SS*.Hα-helixtrans-65.5-35.8176.6-172.9164.2177.1175.70112.6P93 F111 L117P93-K113 HydrophobicContact CG-CD 4.34Å; P93-K113 HydrophobicContact CG-CG 4.1Å; F111-K113 VanDerWaalsContact C-N 3.25Å; F111-K113 PolarHBondContact O-N 3.48Å; F111-K113 VanDerWaalsContact O-N 3.15Å; K113-L117 HydrophobicContact CG-CD1 4.1Å; K113-L117 WeakPolarHBondContact O-CB 3.23Å; K113-L117 WeakPolarHBondContact O-CD1 3.34Å; K113-L117 WeakPolarHBondContact O-CG 3.43Å; K113-L117 PolarHBondContact O-N 3.44Å
114I98.4Very high96.1Very high0 Ų068.1 Ų68.10%035%0.349CS..Hα-helixtrans-70.5-45.8176.2-62.6176.2000109.5V61 V63 V85 I87 P93 I98 L106 F111 M112 S116 L117 A118V61-I114 HydrophobicContact CG1-CD1 3.52Å; V63-I114 HydrophobicContact CG1-CG2 4.4Å; V85-I114 HydrophobicContact CB-CD1 4.09Å; V85-I114 HydrophobicContact CG1-CD1 3.71Å; V85-I114 HydrophobicContact CG1-CG1 4.15Å; V85-I114 HydrophobicContact CG1-CG2 4.48Å; V85-I114 HydrophobicContact CG2-CG2 4.13Å; I87-I114 HydrophobicContact CG2-CD1 3.85Å; P93-I114 HydrophobicContact CB-CG1 4.05Å; P93-I114 HydrophobicContact CG-CG1 4.12Å; I98-I114 HydrophobicContact CD1-CG2 4.15Å; I98-I114 HydrophobicContact CG1-CG2 4.09Å; I98-I114 HydrophobicContact CG2-CG2 4.38Å; L106-I114 HydrophobicContact CD1-CG2 4.07Å; F111-I114 HydrophobicContact CB-CB 4.35Å; F111-I114 HydrophobicContact CB-CD1 4.18Å; F111-I114 HydrophobicContact CD1-CD1 3.87Å; F111-I114 HydrophobicContact CG-CD1 4.36Å; F111-I114 WeakPolarHBondContact O-CB 3.39Å; F111-I114 PolarHBondContact O-N 3.24Å; M112-I114 VanDerWaalsContact C-N 3.34Å; M112-I114 PolarHBondContact O-N 2.8Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 PolarHBondContact O-N 2.82Å; I114-L117 PolarHBondContact O-N 2.72Å; I114-L117 VanDerWaalsContact O-N 3.14Å; I114-A118 PolarHBondContact O-N 3.33Å; I114-A118 VanDerWaalsContact O-N 3.1Å
115V97.9Very high96.2Very high7 Ų766 Ų664%0.04235%0.347CS..Hα-helixtrans-57.5-42.4176.6177.80000111.1L106 R107 F111 M112 L117 A118 V121L106-V115 HydrophobicContact CB-CG2 3.66Å; L106-V115 HydrophobicContact CD1-CG2 4.39Å; R107-V115 HydrophobicContact CG-CG1 4.31Å; R107-V115 HydrophobicContact CG-CG2 4.17Å; F111-V115 PolarHBondContact O-N 2.87Å; F111-V115 VanDerWaalsContact O-N 3.1Å; M112-V115 PolarHBondContact O-N 3.19Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.49Å; V115-A118 PolarHBondContact O-N 3.29Å; V115-V121 HydrophobicContact CG1-CG1 4.22Å; V115-V121 HydrophobicContact CG1-CG2 3.76Å
116S97.1Very high96.2Very high101 Ų10168.9 Ų68.971%0.70636%0.362SS*.Hα-helixtrans-70.1-24179-177.90000114.4M112 I114M112-S116 WeakPolarHBondContact O-CB 3.43Å; M112-S116 PolarHBondContact O-N 2.86Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 PolarHBondContact O-N 2.82Å
117L97.9Very high96.2Very high66 Ų6673.2 Ų73.235%0.34639%0.385SS..Hα-helixtrans-95.4-9.3-179.2-70.5171000112.6P93 I98 K113 I114 V115P93-L117 HydrophobicContact CG-CD1 4.06Å; I98-L117 HydrophobicContact CB-CB 4.37Å; I98-L117 HydrophobicContact CG1-CB 3.67Å; K113-L117 HydrophobicContact CG-CD1 4.1Å; K113-L117 WeakPolarHBondContact O-CB 3.23Å; K113-L117 WeakPolarHBondContact O-CD1 3.34Å; K113-L117 WeakPolarHBondContact O-CG 3.43Å; K113-L117 PolarHBondContact O-N 3.44Å; I114-L117 PolarHBondContact O-N 2.72Å; I114-L117 VanDerWaalsContact O-N 3.14Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.49Å
118A98Very high96.2Very high15 Ų1569.9 Ų69.912%0.12438%0.38CS..SBendtrans-76.5140.6178.300000110.6I98 V102 I114 V115 E120I98-A118 HydrophobicContact CB-CB 4.46Å; I98-A118 HydrophobicContact CG2-CB 4.14Å; V102-A118 HydrophobicContact CB-CB 4.3Å; V102-A118 HydrophobicContact CG1-CB 3.84Å; V102-A118 HydrophobicContact CG2-CB 3.51Å; I114-A118 PolarHBondContact O-N 3.33Å; I114-A118 VanDerWaalsContact O-N 3.1Å; V115-A118 PolarHBondContact O-N 3.29Å; A118-E120 PolarHBondContact O-N 3.32Å
119P97.7Very high96.6Very high100 Ų10064.3 Ų64.365%0.64936%0.358SS*.SBendtrans-66.2-25.5176.927.3-35.9000113G100G100-P119 WeakPolarHBondContact O-CD 3.38Å
120E97.6Very high97Very high106 Ų10667.8 Ų67.850%0.49537%0.371SS..  trans-150.7145.1-177.8-175.4176.7-159.100110.5P101 V102 A118 L122P101-E120 WeakPolarHBondContact CA-O 3.37Å; P101-E120 HydrophobicContact CB-CB 4.15Å; P101-E120 HydrophobicContact CB-CG 4.39Å; V102-E120 PolarHBondContact N-O 3.09Å; A118-E120 PolarHBondContact O-N 3.32Å; E120-L122 HydrophobicContact CG-CD2 4.03Å; E120-L122 HydrophobicContact CG-CG 4.35Å; E120-L122 WeakPolarHBondContact OE1-CD2 3.41Å
121V97.4Very high97.3Very high53 Ų5363.3 Ų63.332%0.32135%0.347SS..BIsolated β-bridgetrans-126.6122177.7-1750000108.8V102 R104 V115V102-V121 HydrophobicContact CG2-CG2 4.07Å; V102-V121 CarbonylContact O-C 3.5Å; V102-V121 VanDerWaalsContact O-CA 3.31Å; V102-V121 WeakPolarHBondContact O-CA 3.21Å; R104-V121 HydrophobicContact CB-CG1 4.14Å; V115-V121 HydrophobicContact CG1-CG1 4.22Å; V115-V121 HydrophobicContact CG1-CG2 3.76Å
122L95.2Very high97.3Very high78 Ų7868.6 Ų68.641%0.40838%0.377SS..  trans-108.80-173.9-63.5-179.9000113.8R71 I77 F79 P101 V102 A103 R104 E120R71-L122 PolarHBondContact NH2-O 2.84Å; R71-L122 PolarHBondContact NH2-OXT 3.44Å; I77-L122 HydrophobicContact CD1-CB 3.54Å; I77-L122 HydrophobicContact CD1-CD1 4.42Å; F79-L122 HydrophobicContact CE1-CD1 3.97Å; F79-L122 HydrophobicContact CZ-CD1 4.43Å; P101-L122 HydrophobicContact CB-CD1 3.83Å; P101-L122 HydrophobicContact CB-CG 4.09Å; P101-L122 HydrophobicContact CG-CD1 4.31Å; V102-L122 PolarHBondContact O-N 2.76Å; A103-L122 CarbonylContact C-O 3.52Å; A103-L122 WeakPolarHBondContact CA-O 3.04Å; R104-L122 WeakPolarHBondContact CB-O 3.5Å; R104-L122 WeakPolarHBondContact CG-O 3.32Å; R104-L122 PolarHBondContact N-O 2.96Å; E120-L122 HydrophobicContact CG-CD2 4.03Å; E120-L122 HydrophobicContact CG-CG 4.35Å; E120-L122 WeakPolarHBondContact OE1-CD2 3.41Å

Retrieved 122 of 122 residues in 323.6 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).