A0A096LNZ9_HUMAN Loading...

Ubiquitin-like protein ISG15

AlphaFold DB , UniProt , Accession A0A096LNZ9, Species HUMAN (Homo sapiens, Human), Gene ISG15, Length 143 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low70.2Confident239 Ų239122.5 Ų122.5100%1.17769%0.685SS**  0107.20-69.6171.272.400107.1A3M1-A3 PolarHBondContact O-N 3.3Å
2L45.1Very low70.9Confident159 Ų159117.8 Ų117.883%0.83267%0.667SS**  trans-67.6118.4165.1-71.3162.4000105.3G4L2-G4 PolarHBondContact O-N 3.04Å
3A51.5Low71Confident98 Ų98117.1 Ų117.181%0.8167%0.674SS**  trans-66.889172.900000107.1M1 N5M1-A3 PolarHBondContact O-N 3.3Å; A3-N5 VanDerWaalsContact C-N 3.33Å; A3-N5 PolarHBondContact O-N 2.58Å
4G64.5Low71.8Confident64 Ų64115.7 Ų115.766%0.6668%0.675SS**  trans-7979.8-17000000111L2 E6L2-G4 PolarHBondContact O-N 3.04Å; G4-E6 PolarHBondContact O-N 3.42Å
5N77.2Confident72.6Confident148 Ų148108.3 Ų108.379%0.79163%0.631SS**  trans-70.9116.6162.6-74.4-5.4000107.8A3A3-N5 VanDerWaalsContact C-N 3.33Å; A3-N5 PolarHBondContact O-N 2.58Å
6E82.3Confident73.6Confident176 Ų176103.3 Ų103.382%0.82261%0.605SS**  trans-89.3140.2174-63.2-178164.600109.6G4G4-E6 PolarHBondContact O-N 3.42Å
7F85.7Confident74.5Confident80 Ų8097.2 Ų97.235%0.35157%0.569SS.*  trans-136.8145.5171.261.5-88.2000109.4V9 I24 K27 I28 L65F7-V9 HydrophobicContact CD2-CG2 3.66Å; F7-V9 HydrophobicContact CE2-CG2 3.45Å; F7-V9 VanDerWaalsContact CE2-CG2 3.45Å; F7-I24 HydrophobicContact CE2-CG1 4.04Å; F7-I24 HydrophobicContact CZ-CG1 4.09Å; F7-I24 HydrophobicContact CZ-CG2 4.12Å; F7-K27 HydrophobicContact CD2-CD 3.92Å; F7-K27 HydrophobicContact CE2-CD 4.33Å; F7-I28 HydrophobicContact CD1-CG2 4.4Å; F7-I28 HydrophobicContact CE1-CG2 4.18Å; F7-I28 HydrophobicContact CZ-CD1 4.49Å; F7-I28 HydrophobicContact CZ-CG2 4.39Å; F7-L65 HydrophobicContact CE1-CD2 4.31Å; F7-L65 HydrophobicContact CZ-CD2 4.2Å
8Q85.8Confident75.2Confident177 Ų17795.6 Ų95.683%0.82756%0.563SS**  trans-87139.6178.7-66.6-177.4-16.700110.5K27Q8-K27 VanDerWaalsContact O-CE 3.28Å; Q8-K27 WeakPolarHBondContact O-CE 3.43Å; Q8-K27 PolarHBondContact O-NZ 2.9Å
9V85.1Confident75.9Confident35 Ų3595.6 Ų95.621%0.21256%0.558CS.*  trans-122.9140.3174.2-171.70000108F7 L11 L20 Q23 I24 K27F7-V9 HydrophobicContact CD2-CG2 3.66Å; F7-V9 HydrophobicContact CE2-CG2 3.45Å; F7-V9 VanDerWaalsContact CE2-CG2 3.45Å; V9-L11 PolarHBondContact O-N 2.83Å; V9-L20 HydrophobicContact CB-CD1 4.24Å; V9-L20 HydrophobicContact CG1-CD1 3.79Å; V9-Q23 HydrophobicContact CG1-CB 3.66Å; V9-Q23 HydrophobicContact CG1-CG 4.24Å; V9-I24 HydrophobicContact CG2-CG1 4.45Å; V9-K27 HydrophobicContact CG2-CD 4.37Å
10S82.8Confident76.6Confident92 Ų9291.3 Ų91.364%0.64353%0.532SS*.  trans-79.4119.9179.6-62.60000109.5Q23S10-Q23 PolarHBondContact O-NE2 3.17Å; S10-Q23 PolarHBondContact O-OE1 3.4Å
11L78.1Confident77.2Confident79 Ų7988.3 Ų88.341%0.41451%0.512SS..  trans-102138178.4-68.9169.6000110.7V9 M15 L20 L52V9-L11 PolarHBondContact O-N 2.83Å; L11-M15 HydrophobicContact CD2-SD 3.89Å; L11-L20 HydrophobicContact CD2-CD1 4.23Å; L11-L52 HydrophobicContact CD2-CD1 3.5Å
12S78.6Confident79.8Confident67 Ų6779.5 Ų79.547%0.46948%0.478SS..  trans-110.9152.616555.80000110.2S14 M15S12-S14 PolarHBondContact O-N 3.4Å; S12-M15 WeakPolarHBondContact O-CB 3.43Å; S12-M15 PolarHBondContact O-N 2.91Å; S12-M15 WeakPolarHBondContact OG-CB 3.05Å
13S72.4Confident81.9Confident108 Ų10874.4 Ų74.476%0.75545%0.45SS*.THydrogen-bonded Turntrans-62.7-25.3-174.847.80000114
14S81Confident83.7Confident98 Ų9870.1 Ų70.169%0.68541%0.413SS*.THydrogen-bonded Turntrans-97.76176.760.90000113.7S12S12-S14 PolarHBondContact O-N 3.4Å
15M84.3Confident84.9Confident4 Ų468.9 Ų68.92%0.0239%0.393CS..  trans-68.8139.2-172.5-164.1173.117800111.9L11 S12 E19 L20 Q23 L52L11-M15 HydrophobicContact CD2-SD 3.89Å; S12-M15 WeakPolarHBondContact O-CB 3.43Å; S12-M15 PolarHBondContact O-N 2.91Å; S12-M15 WeakPolarHBondContact OG-CB 3.05Å; M15-E19 VanDerWaalsContact CA-OE2 3.3Å; M15-E19 WeakPolarHBondContact CA-OE2 2.89Å; M15-E19 HydrophobicContact CE-CB 3.64Å; M15-E19 WeakPolarHBondContact CE-O 3.27Å; M15-E19 HydrophobicContact CG-CB 3.86Å; M15-E19 WeakPolarHBondContact CG-OE2 3.2Å; M15-L20 VanDerWaalsContact CE-CA 3.47Å; M15-L20 HydrophobicContact CE-CB 4.06Å; M15-L20 VanDerWaalsContact CE-N 3.31Å; M15-Q23 HydrophobicContact CE-CG 4.07Å; M15-L52 HydrophobicContact CB-CD1 3.98Å; M15-L52 HydrophobicContact CG-CD1 4Å; M15-L52 WeakPolarHBondContact O-CG 3.36Å; M15-L52 PolarHBondContact O-N 2.89Å; M15-L52 VanDerWaalsContact O-N 3.14Å; M15-L52 HydrophobicContact SD-CD1 4.26Å
16S88.6Confident85.5Confident29 Ų2970 Ų7020%0.20339%0.393CS..  trans-92.6162.4175.661.80000112S18 E19 L20S16-S18 VanDerWaalsContact C-N 3.28Å; S16-S18 PolarHBondContact O-N 3.32Å; S16-S18 PolarHBondContact OG-OG 3.44Å; S16-E19 PolarHBondContact N-OE2 3.29Å; S16-E19 PolarHBondContact O-N 3.01Å; S16-E19 VanDerWaalsContact OG-CD 3.3Å; S16-E19 VanDerWaalsContact OG-CG 3.26Å; S16-E19 WeakPolarHBondContact OG-CG 3.32Å; S16-E19 PolarHBondContact OG-N 3.1Å; S16-E19 PolarHBondContact OG-OE2 3.29Å; S16-E19 VanDerWaalsContact OG-OE2 3.04Å; S16-L20 PolarHBondContact O-N 2.88Å; S16-L20 VanDerWaalsContact O-N 3.1Å
17V88.6Confident85.8Confident0 Ų067.2 Ų67.20%038%0.379CS..Hα-helixtrans-65.7-32.9175.3-172.10000111.5L20 K21 L37 L46 Q47 D48 L52V17-L20 WeakPolarHBondContact O-CB 3.25Å; V17-L20 PolarHBondContact O-N 3.21Å; V17-K21 HydrophobicContact CG1-CD 4.33Å; V17-K21 HydrophobicContact CG1-CG 4.42Å; V17-K21 WeakPolarHBondContact O-CG 3.37Å; V17-K21 PolarHBondContact O-N 3.36Å; V17-L37 HydrophobicContact CG1-CD1 4.1Å; V17-L46 HydrophobicContact CG1-CB 3.91Å; V17-L46 HydrophobicContact CG1-CD1 4.3Å; V17-L46 HydrophobicContact CG2-CB 3.97Å; V17-Q47 VanDerWaalsContact CG2-O 3.27Å; V17-Q47 WeakPolarHBondContact CG2-O 3.16Å; V17-D48 WeakPolarHBondContact CB-OD1 3.35Å; V17-D48 WeakPolarHBondContact CG1-OD1 3.49Å; V17-L52 HydrophobicContact CB-CD2 4.39Å; V17-L52 HydrophobicContact CG2-CD2 3.73Å
18S87.4Confident85.9Confident67 Ų6766.9 Ų66.947%0.46938%0.38SS..Hα-helixtrans-63.8-42.4176.149.90000111.7S16 L20 K21 A22S16-S18 VanDerWaalsContact C-N 3.28Å; S16-S18 PolarHBondContact O-N 3.32Å; S16-S18 PolarHBondContact OG-OG 3.44Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.13Å; S18-K21 PolarHBondContact O-N 3.3Å; S18-A22 WeakPolarHBondContact O-CB 3.45Å; S18-A22 PolarHBondContact O-N 3.12Å
19E88.4Confident85.9Confident97 Ų9761.2 Ų61.245%0.45337%0.369SS..Hα-helixtrans-63.7-37173.2-71165.3155.200111.6M15 S16 A22 Q23M15-E19 VanDerWaalsContact CA-OE2 3.3Å; M15-E19 WeakPolarHBondContact CA-OE2 2.89Å; M15-E19 HydrophobicContact CE-CB 3.64Å; M15-E19 WeakPolarHBondContact CE-O 3.27Å; M15-E19 HydrophobicContact CG-CB 3.86Å; M15-E19 WeakPolarHBondContact CG-OE2 3.2Å; S16-E19 PolarHBondContact N-OE2 3.29Å; S16-E19 PolarHBondContact O-N 3.01Å; S16-E19 VanDerWaalsContact OG-CD 3.3Å; S16-E19 VanDerWaalsContact OG-CG 3.26Å; S16-E19 WeakPolarHBondContact OG-CG 3.32Å; S16-E19 PolarHBondContact OG-N 3.1Å; S16-E19 PolarHBondContact OG-OE2 3.29Å; S16-E19 VanDerWaalsContact OG-OE2 3.04Å; E19-A22 PolarHBondContact O-N 2.78Å; E19-Q23 PolarHBondContact O-N 2.95Å
20L89.5Confident86.1Confident8 Ų860.5 Ų60.54%0.04237%0.365CS..Hα-helixtrans-66-45.6177.7175.560.3000110.2V9 L11 M15 S16 V17 S18 A22 Q23 I24 L37 L46 L52V9-L20 HydrophobicContact CB-CD1 4.24Å; V9-L20 HydrophobicContact CG1-CD1 3.79Å; L11-L20 HydrophobicContact CD2-CD1 4.23Å; M15-L20 VanDerWaalsContact CE-CA 3.47Å; M15-L20 HydrophobicContact CE-CB 4.06Å; M15-L20 VanDerWaalsContact CE-N 3.31Å; S16-L20 PolarHBondContact O-N 2.88Å; S16-L20 VanDerWaalsContact O-N 3.1Å; V17-L20 WeakPolarHBondContact O-CB 3.25Å; V17-L20 PolarHBondContact O-N 3.21Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.13Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.28Å; L20-Q23 PolarHBondContact O-N 3.43Å; L20-I24 HydrophobicContact CD1-CD1 4.31Å; L20-I24 HydrophobicContact CG-CD1 4.16Å; L20-I24 VanDerWaalsContact O-CG1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.42Å; L20-I24 PolarHBondContact O-N 2.87Å; L20-L37 HydrophobicContact CD2-CD1 3.9Å; L20-L37 HydrophobicContact CG-CD1 4.09Å; L20-L46 HydrophobicContact CD2-CD1 3.96Å; L20-L52 HydrophobicContact CB-CD1 4.06Å; L20-L52 HydrophobicContact CD2-CD1 4.02Å; L20-L52 HydrophobicContact CD2-CD2 3.93Å
21K89.9Confident86.3Confident29 Ų2958.8 Ų58.813%0.12635%0.346CS..Hα-helixtrans-59.3-42174.6-73171.1174.1165.40111.5V17 S18 I24 T25 A32 Q35 L37 D48V17-K21 HydrophobicContact CG1-CD 4.33Å; V17-K21 HydrophobicContact CG1-CG 4.42Å; V17-K21 WeakPolarHBondContact O-CG 3.37Å; V17-K21 PolarHBondContact O-N 3.36Å; S18-K21 PolarHBondContact O-N 3.3Å; K21-I24 WeakPolarHBondContact O-CB 3.35Å; K21-I24 PolarHBondContact O-N 3.22Å; K21-T25 PolarHBondContact O-N 3.44Å; K21-T25 PolarHBondContact O-OG1 3.08Å; K21-A32 HydrophobicContact CB-CB 3.88Å; K21-A32 HydrophobicContact CD-CB 4.31Å; K21-Q35 HydrophobicContact CG-CB 4.36Å; K21-Q35 PolarHBondContact O-NE2 3.12Å; K21-Q35 PolarHBondContact O-OE1 3Å; K21-L37 HydrophobicContact CG-CD1 3.73Å; K21-D48 VanDerWaalsContact NZ-CG 3.32Å; K21-D48 IonicContact NZ-OD1 3.04Å; K21-D48 PolarHBondContact NZ-OD1 3.46Å; K21-D48 IonicContact NZ-OD2 2.79Å; K21-D48 PolarHBondContact NZ-OD2 3.39Å
22A88.8Confident86.8Confident55 Ų5555.9 Ų55.946%0.45533%0.334SS..Hα-helixtrans-62-42.9176.600000112.4S18 E19 L20 I24 T25 Q26S18-A22 WeakPolarHBondContact O-CB 3.45Å; S18-A22 PolarHBondContact O-N 3.12Å; E19-A22 PolarHBondContact O-N 2.78Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 3.28Å; A22-I24 VanDerWaalsContact C-N 3.32Å; A22-I24 PolarHBondContact O-N 3.24Å; A22-T25 WeakPolarHBondContact O-CB 3.36Å; A22-T25 PolarHBondContact O-N 3.42Å; A22-Q26 PolarHBondContact O-N 3.38Å
23Q90.2Very high87.2Confident52 Ų5254.2 Ų54.224%0.24332%0.318CS..Hα-helixtrans-63.1-38.8174.3-74.2-161.645.600112.2V9 S10 M15 E19 L20 Q26 K27V9-Q23 HydrophobicContact CG1-CB 3.66Å; V9-Q23 HydrophobicContact CG1-CG 4.24Å; S10-Q23 PolarHBondContact O-NE2 3.17Å; S10-Q23 PolarHBondContact O-OE1 3.4Å; M15-Q23 HydrophobicContact CE-CG 4.07Å; E19-Q23 PolarHBondContact O-N 2.95Å; L20-Q23 PolarHBondContact O-N 3.43Å; Q23-Q26 PolarHBondContact O-N 2.93Å; Q23-K27 PolarHBondContact O-N 2.84Å
24I89.6Confident87.9Confident7 Ų750.2 Ų50.24%0.03629%0.287CS..Hα-helixtrans-64.1-44.8174.5-66.1168.1000110F7 V9 L20 K21 A22 Q26 K27 I28 Q35 L37 L65F7-I24 HydrophobicContact CE2-CG1 4.04Å; F7-I24 HydrophobicContact CZ-CG1 4.09Å; F7-I24 HydrophobicContact CZ-CG2 4.12Å; V9-I24 HydrophobicContact CG2-CG1 4.45Å; L20-I24 HydrophobicContact CD1-CD1 4.31Å; L20-I24 HydrophobicContact CG-CD1 4.16Å; L20-I24 VanDerWaalsContact O-CG1 3.32Å; L20-I24 WeakPolarHBondContact O-CG1 3.42Å; L20-I24 PolarHBondContact O-N 2.87Å; K21-I24 WeakPolarHBondContact O-CB 3.35Å; K21-I24 PolarHBondContact O-N 3.22Å; A22-I24 VanDerWaalsContact C-N 3.32Å; A22-I24 PolarHBondContact O-N 3.24Å; I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 3.11Å; I24-K27 PolarHBondContact O-N 3.47Å; I24-K27 VanDerWaalsContact O-N 3.08Å; I24-I28 HydrophobicContact CG2-CD1 3.65Å; I24-I28 HydrophobicContact CG2-CG1 3.74Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 3.23Å; I24-Q35 VanDerWaalsContact CG2-CD 3.49Å; I24-Q35 HydrophobicContact CG2-CG 4.27Å; I24-L37 HydrophobicContact CD1-CD1 4.05Å; I24-L37 HydrophobicContact CD1-CD2 3.64Å; I24-L37 HydrophobicContact CD1-CG 4.48Å; I24-L65 HydrophobicContact CG2-CD2 3.8Å
25T89.4Confident88.3Confident39 Ų3945.6 Ų45.624%0.23926%0.255CS..Hα-helixtrans-54.8-44.8175.1-52.60000111K21 A22 K27 G29 V30 Q35K21-T25 PolarHBondContact O-N 3.44Å; K21-T25 PolarHBondContact O-OG1 3.08Å; A22-T25 WeakPolarHBondContact O-CB 3.36Å; A22-T25 PolarHBondContact O-N 3.42Å; T25-K27 VanDerWaalsContact C-N 3.35Å; T25-K27 PolarHBondContact O-N 3.28Å; T25-G29 WeakPolarHBondContact O-CA 3.49Å; T25-G29 PolarHBondContact O-N 2.78Å; T25-V30 VanDerWaalsContact CA-O 3.24Å; T25-V30 WeakPolarHBondContact CA-O 3.34Å; T25-V30 WeakPolarHBondContact CB-O 3.27Å; T25-V30 PolarHBondContact OG1-O 2.87Å; T25-Q35 PolarHBondContact OG1-NE2 2.79Å
26Q88.8Confident88.5Confident170 Ų17051.2 Ų51.279%0.79428%0.276SS*.Hα-helixtrans-67-33.5179.1-167.9177.819.400113.1A22 Q23 I24A22-Q26 PolarHBondContact O-N 3.38Å; Q23-Q26 PolarHBondContact O-N 2.93Å; I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 3.11Å
27K88.2Confident88.6Confident118 Ų11850.3 Ų50.351%0.51327%0.269SS..Hα-helixtrans-82-40.2-177.2-80-173.5175.9-116.70114.3F7 Q8 V9 Q23 I24 T25F7-K27 HydrophobicContact CD2-CD 3.92Å; F7-K27 HydrophobicContact CE2-CD 4.33Å; Q8-K27 VanDerWaalsContact O-CE 3.28Å; Q8-K27 WeakPolarHBondContact O-CE 3.43Å; Q8-K27 PolarHBondContact O-NZ 2.9Å; V9-K27 HydrophobicContact CG2-CD 4.37Å; Q23-K27 PolarHBondContact O-N 2.84Å; I24-K27 PolarHBondContact O-N 3.47Å; I24-K27 VanDerWaalsContact O-N 3.08Å; T25-K27 VanDerWaalsContact C-N 3.35Å; T25-K27 PolarHBondContact O-N 3.28Å
28I87.6Confident88.6Confident73 Ų7351.2 Ų51.237%0.37428%0.276SS..Hα-helixtrans-122.4-1.2-171.863.7162.1000113.9F7 I24 V30 L65F7-I28 HydrophobicContact CD1-CG2 4.4Å; F7-I28 HydrophobicContact CE1-CG2 4.18Å; F7-I28 HydrophobicContact CZ-CD1 4.49Å; F7-I28 HydrophobicContact CZ-CG2 4.39Å; I24-I28 HydrophobicContact CG2-CD1 3.65Å; I24-I28 HydrophobicContact CG2-CG1 3.74Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 3.23Å; I28-V30 VanDerWaalsContact C-N 3.3Å; I28-V30 HydrophobicContact CD1-CB 3.94Å; I28-V30 HydrophobicContact CD1-CG2 3.56Å; I28-V30 HydrophobicContact CG1-CB 4.1Å; I28-V30 HydrophobicContact CG1-CG2 3.89Å; I28-V30 PolarHBondContact O-N 3.08Å; I28-L65 HydrophobicContact CD1-CD2 3.49Å; I28-L65 VanDerWaalsContact CD1-CD2 3.49Å
29G86.7Confident88.7Confident58 Ų5848.8 Ų48.860%0.59826%0.259SS*.  trans73.414.7176.900000115.2T25T25-G29 WeakPolarHBondContact O-CA 3.49Å; T25-G29 PolarHBondContact O-N 2.78Å
30V88.4Confident88.6Confident21 Ų2148.8 Ų48.813%0.12726%0.258CS..  trans-94.3125.4179.5177.40000109.7T25 I28 Q34 Q35 V67T25-V30 VanDerWaalsContact CA-O 3.24Å; T25-V30 WeakPolarHBondContact CA-O 3.34Å; T25-V30 WeakPolarHBondContact CB-O 3.27Å; T25-V30 PolarHBondContact OG1-O 2.87Å; I28-V30 VanDerWaalsContact C-N 3.3Å; I28-V30 HydrophobicContact CD1-CB 3.94Å; I28-V30 HydrophobicContact CD1-CG2 3.56Å; I28-V30 HydrophobicContact CG1-CB 4.1Å; I28-V30 HydrophobicContact CG1-CG2 3.89Å; I28-V30 PolarHBondContact O-N 3.08Å; V30-Q34 HydrophobicContact CG1-CB 3.79Å; V30-Q35 HydrophobicContact CB-CG 4.46Å; V30-Q35 HydrophobicContact CG1-CG 3.82Å; V30-Q35 PolarHBondContact O-NE2 3.23Å; V30-V67 HydrophobicContact CG1-CB 4.5Å; V30-V67 HydrophobicContact CG1-CG1 3.71Å; V30-V67 HydrophobicContact CG1-CG2 4.1Å; V30-V67 HydrophobicContact CG2-CG1 4.32Å; V30-V67 HydrophobicContact CG2-CG2 4.17Å
31H88.9Confident88.2Confident56 Ų5653.8 Ų53.826%0.25929%0.291SS..  trans-66.4151.5-177.1-65.1-68.7000113.4F33 Q34 Q35 P128H31-F33 VanDerWaalsContact C-N 3.25Å; H31-F33 HydrophobicContact CB-CD1 3.5Å; H31-F33 VanDerWaalsContact CB-CD1 3.5Å; H31-F33 HydrophobicContact CB-CE1 3.29Å; H31-F33 HydrophobicContact CB-CZ 4.21Å; H31-F33 AromaticContact CG-CE1 3.78Å; H31-F33 PolarHBondContact O-N 3.02Å; H31-Q34 HydrophobicContact CB-CG 4.37Å; H31-Q34 WeakPolarHBondContact O-CB 3.45Å; H31-Q34 PolarHBondContact O-N 3.14Å; H31-Q35 WeakPolarHBondContact O-CG 3.44Å; H31-Q35 PolarHBondContact O-N 2.95Å; H31-P128 WeakPolarHBondContact ND1-CG 3.39Å
32A87.7Confident87.9Confident18 Ų1856 Ų5615%0.14931%0.31CS..G310 helixtrans-58.8-36.6-173.900000112.5K21 Q34 Q35K21-A32 HydrophobicContact CB-CB 3.88Å; K21-A32 HydrophobicContact CD-CB 4.31Å; A32-Q34 VanDerWaalsContact C-N 3.27Å; A32-Q34 PolarHBondContact O-N 3.17Å; A32-Q35 PolarHBondContact O-N 2.86Å; A32-Q35 VanDerWaalsContact O-N 3.17Å
33F86.1Confident87.6Confident31 Ų3155.6 Ų55.614%0.13631%0.312CS..G310 helixtrans-67.4-24.6177.775.8-90.9000113.8H31 R36 L92 T93 P128H31-F33 VanDerWaalsContact C-N 3.25Å; H31-F33 HydrophobicContact CB-CD1 3.5Å; H31-F33 VanDerWaalsContact CB-CD1 3.5Å; H31-F33 HydrophobicContact CB-CE1 3.29Å; H31-F33 HydrophobicContact CB-CZ 4.21Å; H31-F33 AromaticContact CG-CE1 3.78Å; H31-F33 PolarHBondContact O-N 3.02Å; F33-R36 PolarHBondContact O-NH1 2.96Å; F33-R36 VanDerWaalsContact O-NH1 3.07Å; F33-L92 HydrophobicContact CD2-CB 4.13Å; F33-L92 HydrophobicContact CD2-CD1 4.09Å; F33-L92 HydrophobicContact CE2-CB 3.42Å; F33-L92 VanDerWaalsContact CE2-CB 3.42Å; F33-L92 HydrophobicContact CE2-CD1 4.06Å; F33-L92 HydrophobicContact CE2-CG 4.4Å; F33-L92 HydrophobicContact CZ-CB 3.69Å; F33-L92 WeakPolarHBondContact CZ-O 3.39Å; F33-T93 HydrophobicContact CZ-CG2 3.94Å; F33-P128 HydrophobicContact CE1-CB 4.33Å; F33-P128 HydrophobicContact CE1-CG 4.5Å
34Q88.4Confident87.5Confident24 Ų2457 Ų5711%0.11232%0.324CS..G310 helixtrans-84.1-12.3175.9-61.8179.9-49.100112.3V30 H31 A32 D68V30-Q34 HydrophobicContact CG1-CB 3.79Å; H31-Q34 HydrophobicContact CB-CG 4.37Å; H31-Q34 WeakPolarHBondContact O-CB 3.45Å; H31-Q34 PolarHBondContact O-N 3.14Å; A32-Q34 VanDerWaalsContact C-N 3.27Å; A32-Q34 PolarHBondContact O-N 3.17Å; Q34-D68 WeakPolarHBondContact CB-O 3.11Å; Q34-D68 PolarHBondContact O-N 3.33Å
35Q89.6Confident87.4Confident1 Ų159.8 Ų59.81%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-89.5123.4-176.3-62.3173.334.200111.3K21 I24 T25 V30 H31 A32 L65K21-Q35 HydrophobicContact CG-CB 4.36Å; K21-Q35 PolarHBondContact O-NE2 3.12Å; K21-Q35 PolarHBondContact O-OE1 3Å; I24-Q35 VanDerWaalsContact CG2-CD 3.49Å; I24-Q35 HydrophobicContact CG2-CG 4.27Å; T25-Q35 PolarHBondContact OG1-NE2 2.79Å; V30-Q35 HydrophobicContact CB-CG 4.46Å; V30-Q35 HydrophobicContact CG1-CG 3.82Å; V30-Q35 PolarHBondContact O-NE2 3.23Å; H31-Q35 WeakPolarHBondContact O-CG 3.44Å; H31-Q35 PolarHBondContact O-N 2.95Å; A32-Q35 PolarHBondContact O-N 2.86Å; A32-Q35 VanDerWaalsContact O-N 3.17Å; Q35-L65 HydrophobicContact CB-CD1 3.81Å; Q35-L65 HydrophobicContact CG-CD1 3.93Å
36R88.8Confident87.3Confident122 Ų12258.9 Ų58.946%0.4634%0.342SS..EExtended strand (participates in β ladder)trans-109.4115.1166.9-59.5-69.3-177.1-101.2-10.5108.2F33 V66 D68F33-R36 PolarHBondContact O-NH1 2.96Å; F33-R36 VanDerWaalsContact O-NH1 3.07Å; R36-V66 HydrophobicContact CB-CB 4.17Å; R36-V66 WeakPolarHBondContact CB-O 3.33Å; R36-V66 PolarHBondContact N-O 3.01Å; R36-V66 PolarHBondContact O-N 2.78Å; R36-D68 HydrophobicContact CG-CB 4.33Å; R36-D68 IonicContact CZ-OD2 2.79Å; R36-D68 IonicContact NE-OD2 2.77Å; R36-D68 IonicContact NH2-OD2 3.61Å; R36-D68 PolarHBondContact NH2-OD2 3.12Å
37L89.6Confident87.1Confident11 Ų1156.3 Ų56.36%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-108.5131-176.7-60178000110.1V17 L20 K21 I24 A45 L46 V63 L64 L65V17-L37 HydrophobicContact CG1-CD1 4.1Å; L20-L37 HydrophobicContact CD2-CD1 3.9Å; L20-L37 HydrophobicContact CG-CD1 4.09Å; K21-L37 HydrophobicContact CG-CD1 3.73Å; I24-L37 HydrophobicContact CD1-CD1 4.05Å; I24-L37 HydrophobicContact CD1-CD2 3.64Å; I24-L37 HydrophobicContact CD1-CG 4.48Å; L37-A45 WeakPolarHBondContact O-CA 3.44Å; L37-L46 HydrophobicContact CB-CB 4.25Å; L37-L46 HydrophobicContact CB-CD1 3.68Å; L37-L46 HydrophobicContact CB-CG 4.07Å; L37-L46 HydrophobicContact CD1-CD1 4.11Å; L37-L46 PolarHBondContact O-N 3.31Å; L37-V63 HydrophobicContact CB-CG1 3.9Å; L37-V63 HydrophobicContact CD2-CG1 4.05Å; L37-V63 HydrophobicContact CG-CG1 4.49Å; L37-L64 WeakPolarHBondContact CA-O 3.41Å; L37-L65 HydrophobicContact CD2-CB 4.1Å; L37-L65 HydrophobicContact CD2-CD1 3.63Å; L37-L65 HydrophobicContact CD2-CG 4.43Å
38A89.7Confident86.7Confident19 Ų1954.9 Ų54.916%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-134.9142.4175.200000111.6V44 V63 L64A38-V44 CarbonylContact C-O 3.48Å; A38-V44 VanDerWaalsContact CA-O 3.22Å; A38-V44 WeakPolarHBondContact CA-O 3.34Å; A38-V63 CarbonylContact O-C 3.52Å; A38-V63 WeakPolarHBondContact O-CA 3.35Å; A38-V63 WeakPolarHBondContact O-CG1 3.32Å; A38-L64 PolarHBondContact N-O 2.84Å; A38-L64 PolarHBondContact O-N 3.25Å
39V88.9Confident86.4Confident16 Ų1663 Ų6310%0.09735%0.354CS..EExtended strand (participates in β ladder)trans-70.2131.4177.7-1770000109.8S42 G43 V44 L46 L57V39-S42 PolarHBondContact O-N 2.98Å; V39-S42 PolarHBondContact O-OG 2.83Å; V39-G43 WeakPolarHBondContact O-CA 3.33Å; V39-G43 PolarHBondContact O-N 2.88Å; V39-V44 PolarHBondContact N-O 2.91Å; V39-L46 HydrophobicContact CG2-CD2 3.42Å; V39-L46 VanDerWaalsContact CG2-CD2 3.42Å; V39-L46 HydrophobicContact CG2-CG 4.41Å; V39-L57 HydrophobicContact CG1-CD2 4.14Å; V39-L57 HydrophobicContact CG2-CD2 4.11Å; V39-L57 HydrophobicContact CG2-CG 4.28Å
40H85.3Confident86.2Confident96 Ų9662.3 Ų62.344%0.44434%0.338SS..THydrogen-bonded Turntrans-93.6139.7171.2-178-91.7000110.4T62 L64H40-T62 HydrophobicContact CB-CG2 4.26Å; H40-T62 WeakPolarHBondContact CB-O 3.42Å; H40-T62 PolarHBondContact N-O 2.97Å; H40-L64 HydrophobicContact CB-CG 4.18Å
41P82.3Confident86.1Confident113 Ų11364.1 Ų64.173%0.73435%0.35SS*.THydrogen-bonded Turncis-91.50.71.536-35.5000114.5G43P41-G43 PolarHBondContact O-N 2.85Å
42S82.8Confident85.9Confident75 Ų7561.7 Ų61.752%0.52434%0.339SS..THydrogen-bonded Turntrans-67.5-21.5-171.461.90000114.2V39 V44V39-S42 PolarHBondContact O-N 2.98Å; V39-S42 PolarHBondContact O-OG 2.83Å; S42-V44 PolarHBondContact O-N 2.91Å
43G83.3Confident85.8Confident48 Ų4863.5 Ų63.550%0.49535%0.353SS..THydrogen-bonded Turntrans7010.8-175.700000113.6V39 P41 A45V39-G43 WeakPolarHBondContact O-CA 3.33Å; V39-G43 PolarHBondContact O-N 2.88Å; P41-G43 PolarHBondContact O-N 2.85Å; G43-A45 PolarHBondContact O-N 2.84Å
44V87.8Confident85.7Confident82 Ų8266.4 Ų66.450%0.49738%0.377SS..EExtended strand (participates in β ladder)trans-74.9123.3-176.7176.10000109.8A38 V39 S42A38-V44 CarbonylContact C-O 3.48Å; A38-V44 VanDerWaalsContact CA-O 3.22Å; A38-V44 WeakPolarHBondContact CA-O 3.34Å; V39-V44 PolarHBondContact N-O 2.91Å; S42-V44 PolarHBondContact O-N 2.91Å
45A87.3Confident85.6Confident65 Ų6567.1 Ų67.154%0.53738%0.381SS..EExtended strand (participates in β ladder)trans-63.7135.317700000111.6L37 G43L37-A45 WeakPolarHBondContact O-CA 3.44Å; G43-A45 PolarHBondContact O-N 2.84Å
46L87.2Confident85.2Confident20 Ų2069.9 Ų69.911%0.10541%0.409CS..PPolyproline II helixtrans-68.3146.4174.4-63.7-177.4000110.8V17 L20 L37 V39 L52 Q55 L57 V63V17-L46 HydrophobicContact CG1-CB 3.91Å; V17-L46 HydrophobicContact CG1-CD1 4.3Å; V17-L46 HydrophobicContact CG2-CB 3.97Å; L20-L46 HydrophobicContact CD2-CD1 3.96Å; L37-L46 HydrophobicContact CB-CB 4.25Å; L37-L46 HydrophobicContact CB-CD1 3.68Å; L37-L46 HydrophobicContact CB-CG 4.07Å; L37-L46 HydrophobicContact CD1-CD1 4.11Å; L37-L46 PolarHBondContact O-N 3.31Å; V39-L46 HydrophobicContact CG2-CD2 3.42Å; V39-L46 VanDerWaalsContact CG2-CD2 3.42Å; V39-L46 HydrophobicContact CG2-CG 4.41Å; L46-L52 HydrophobicContact CD1-CD2 3.97Å; L46-Q55 HydrophobicContact CD2-CB 4.23Å; L46-Q55 VanDerWaalsContact CD2-OE1 3.3Å; L46-L57 HydrophobicContact CD1-CD1 3.92Å; L46-L57 HydrophobicContact CD2-CD1 3.65Å; L46-L57 HydrophobicContact CD2-CG 4.41Å; L46-L57 HydrophobicContact CG-CD1 4.47Å; L46-V63 HydrophobicContact CD1-CG1 4.09Å
47Q83.9Confident85Confident115 Ų11564.7 Ų64.754%0.53739%0.391SS..  trans-115.7122.1-176.9-59.6-176.617.300109.6V17 R49 V50 Q55V17-Q47 VanDerWaalsContact CG2-O 3.27Å; V17-Q47 WeakPolarHBondContact CG2-O 3.16Å; Q47-R49 PolarHBondContact O-N 2.92Å; Q47-V50 HydrophobicContact CB-CB 4.48Å; Q47-V50 HydrophobicContact CB-CG2 4.13Å; Q47-V50 PolarHBondContact O-N 3.38Å; Q47-Q55 VanDerWaalsContact N-NE2 3.1Å; Q47-Q55 VanDerWaalsContact N-OE1 3.07Å
48D80.6Confident84.7Confident88 Ų8865.4 Ų65.447%0.47140%0.401SS..THydrogen-bonded Turntrans-59.6-22.8-172.4-67.5-18.4000114.5V17 K21V17-D48 WeakPolarHBondContact CB-OD1 3.35Å; V17-D48 WeakPolarHBondContact CG1-OD1 3.49Å; K21-D48 VanDerWaalsContact NZ-CG 3.32Å; K21-D48 IonicContact NZ-OD1 3.04Å; K21-D48 PolarHBondContact NZ-OD1 3.46Å; K21-D48 IonicContact NZ-OD2 2.79Å; K21-D48 PolarHBondContact NZ-OD2 3.39Å
49R80.8Confident84.4Confident245 Ų24571.2 Ų71.293%0.92544%0.437SS*.THydrogen-bonded Turntrans-89-1-179-61-172-178.9-161.90.2114.4Q47Q47-R49 PolarHBondContact O-N 2.92Å
50V83.8Confident84.1Confident43 Ų4374.3 Ų74.326%0.26147%0.472SS..SBendtrans-119.2132.2-174.8-174.40000109.4Q47 Q55Q47-V50 HydrophobicContact CB-CB 4.48Å; Q47-V50 HydrophobicContact CB-CG2 4.13Å; Q47-V50 PolarHBondContact O-N 3.38Å; V50-Q55 HydrophobicContact CB-CG 3.93Å; V50-Q55 HydrophobicContact CG1-CG 3.57Å
51P85.9Confident84.2Confident59 Ų5972.3 Ų72.338%0.38347%0.469SS..  trans-59143.1175.1-22.532.8000111.6A53 S54 Q55P51-A53 PolarHBondContact O-N 2.56Å; P51-S54 WeakPolarHBondContact O-CB 3.27Å; P51-S54 PolarHBondContact O-N 2.87Å; P51-Q55 WeakPolarHBondContact O-CG 3.37Å; P51-Q55 PolarHBondContact O-N 2.87Å
52L85.1Confident84.5Confident5 Ų570 Ų703%0.02645%0.453CS..G310 helixtrans-56.1-39.7-177.1-63.2173.4000112.1L11 M15 V17 L20 L46 S54 Q55 L57L11-L52 HydrophobicContact CD2-CD1 3.5Å; M15-L52 HydrophobicContact CB-CD1 3.98Å; M15-L52 HydrophobicContact CG-CD1 4Å; M15-L52 WeakPolarHBondContact O-CG 3.36Å; M15-L52 PolarHBondContact O-N 2.89Å; M15-L52 VanDerWaalsContact O-N 3.14Å; M15-L52 HydrophobicContact SD-CD1 4.26Å; V17-L52 HydrophobicContact CB-CD2 4.39Å; V17-L52 HydrophobicContact CG2-CD2 3.73Å; L20-L52 HydrophobicContact CB-CD1 4.06Å; L20-L52 HydrophobicContact CD2-CD1 4.02Å; L20-L52 HydrophobicContact CD2-CD2 3.93Å; L46-L52 HydrophobicContact CD1-CD2 3.97Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.94Å; L52-Q55 WeakPolarHBondContact O-CA 3.42Å; L52-Q55 PolarHBondContact O-N 3.08Å; L52-L57 HydrophobicContact CB-CB 4.17Å; L52-L57 HydrophobicContact CB-CD1 3.95Å; L52-L57 HydrophobicContact CD2-CD1 3.58Å; L52-L57 HydrophobicContact CG-CD1 4.26Å; L52-L57 WeakPolarHBondContact O-CB 3.39Å; L52-L57 PolarHBondContact O-N 3.39Å; L52-L57 VanDerWaalsContact O-N 3.15Å
53A84.3Confident84.9Confident55 Ų5568.5 Ų68.546%0.45544%0.441SS..G310 helixtrans-58.8-38.9177.100000113P51 Q55 G56 L57P51-A53 PolarHBondContact O-N 2.56Å; A53-Q55 PolarHBondContact O-N 2.74Å; A53-G56 PolarHBondContact O-N 3.46Å; A53-L57 WeakPolarHBondContact CA-O 3.49Å
54S84.9Confident85.2Confident92 Ų9270.1 Ų70.164%0.64344%0.437SS*.G310 helixtrans-74.2-15.8177.2-55.90000113P51 L52 G56P51-S54 WeakPolarHBondContact O-CB 3.27Å; P51-S54 PolarHBondContact O-N 2.87Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.94Å; S54-G56 VanDerWaalsContact C-N 3.31Å
55Q85.3Confident85.2Confident39 Ų3968.5 Ų68.518%0.18243%0.426CS..G310 helixtrans-91.38.8174.8-49.4-153.4-74.200112.9L46 Q47 V50 P51 L52 A53L46-Q55 HydrophobicContact CD2-CB 4.23Å; L46-Q55 VanDerWaalsContact CD2-OE1 3.3Å; Q47-Q55 VanDerWaalsContact N-NE2 3.1Å; Q47-Q55 VanDerWaalsContact N-OE1 3.07Å; V50-Q55 HydrophobicContact CB-CG 3.93Å; V50-Q55 HydrophobicContact CG1-CG 3.57Å; P51-Q55 WeakPolarHBondContact O-CG 3.37Å; P51-Q55 PolarHBondContact O-N 2.87Å; L52-Q55 WeakPolarHBondContact O-CA 3.42Å; L52-Q55 PolarHBondContact O-N 3.08Å; A53-Q55 PolarHBondContact O-N 2.74Å
56G81.3Confident85.3Confident59 Ų5969.2 Ų69.261%0.60842%0.423SS*.THydrogen-bonded Turntrans81.517.6179.800000114A53 S54A53-G56 PolarHBondContact O-N 3.46Å; S54-G56 VanDerWaalsContact C-N 3.31Å
57L84.4Confident85.3Confident13 Ų1371.4 Ų71.47%0.06844%0.437CS..  trans-91.6129.5172.5-65.9172.5000110.9V39 L46 L52 A53 V63V39-L57 HydrophobicContact CG1-CD2 4.14Å; V39-L57 HydrophobicContact CG2-CD2 4.11Å; V39-L57 HydrophobicContact CG2-CG 4.28Å; L46-L57 HydrophobicContact CD1-CD1 3.92Å; L46-L57 HydrophobicContact CD2-CD1 3.65Å; L46-L57 HydrophobicContact CD2-CG 4.41Å; L46-L57 HydrophobicContact CG-CD1 4.47Å; L52-L57 HydrophobicContact CB-CB 4.17Å; L52-L57 HydrophobicContact CB-CD1 3.95Å; L52-L57 HydrophobicContact CD2-CD1 3.58Å; L52-L57 HydrophobicContact CG-CD1 4.26Å; L52-L57 WeakPolarHBondContact O-CB 3.39Å; L52-L57 PolarHBondContact O-N 3.39Å; L52-L57 VanDerWaalsContact O-N 3.15Å; A53-L57 WeakPolarHBondContact CA-O 3.49Å; L57-V63 HydrophobicContact CD1-CG2 4.02Å; L57-V63 HydrophobicContact CD2-CG2 3.6Å; L57-V63 HydrophobicContact CG-CG2 4.49Å
58G83.1Confident85.2Confident26 Ų2668.4 Ų68.427%0.26843%0.425SS..  trans-140.6-174.4174.900000112.1G60 S61G58-G60 PolarHBondContact O-N 3.35Å; G58-S61 PolarHBondContact N-OG 3.08Å; G58-S61 VanDerWaalsContact O-CB 3.3Å; G58-S61 WeakPolarHBondContact O-CB 3.45Å; G58-S61 PolarHBondContact O-N 3.04Å; G58-S61 PolarHBondContact O-OG 3.31Å
59P83.5Confident84.8Confident142 Ų14272.8 Ų72.892%0.92244%0.44SS*.THydrogen-bonded Turntrans-57.2124.3175.4-22.833.8000111S61P59-S61 VanDerWaalsContact C-N 3.34Å
60G83.6Confident84Confident81 Ų8163.4 Ų63.484%0.83541%0.411SS*.THydrogen-bonded Turntrans85.2-0.7-178.400000115.1G58G58-G60 PolarHBondContact O-N 3.35Å
61S87.8Confident83.6Confident54 Ų5464.5 Ų64.538%0.37842%0.415SS..  trans-67.8145.6169.7-61.60000111.5G58 P59G58-S61 PolarHBondContact N-OG 3.08Å; G58-S61 VanDerWaalsContact O-CB 3.3Å; G58-S61 WeakPolarHBondContact O-CB 3.45Å; G58-S61 PolarHBondContact O-N 3.04Å; G58-S61 PolarHBondContact O-OG 3.31Å; P59-S61 VanDerWaalsContact C-N 3.34Å
62T88.3Confident83.6Confident64 Ų6468.9 Ų68.939%0.39343%0.431SS..  trans-106138.5177.6-51.60000110.5H40H40-T62 HydrophobicContact CB-CG2 4.26Å; H40-T62 WeakPolarHBondContact CB-O 3.42Å; H40-T62 PolarHBondContact N-O 2.97Å
63V89.8Confident83.9Confident44 Ų4471.2 Ų71.227%0.26745%0.447SS..EExtended strand (participates in β ladder)trans-118.6131.4174.4-179.70000108.2L37 A38 L46 L57L37-V63 HydrophobicContact CB-CG1 3.9Å; L37-V63 HydrophobicContact CD2-CG1 4.05Å; L37-V63 HydrophobicContact CG-CG1 4.49Å; A38-V63 CarbonylContact O-C 3.52Å; A38-V63 WeakPolarHBondContact O-CA 3.35Å; A38-V63 WeakPolarHBondContact O-CG1 3.32Å; L46-V63 HydrophobicContact CD1-CG1 4.09Å; L57-V63 HydrophobicContact CD1-CG2 4.02Å; L57-V63 HydrophobicContact CD2-CG2 3.6Å; L57-V63 HydrophobicContact CG-CG2 4.49Å
64L89.6Confident84.3Confident81 Ų8169.5 Ų69.542%0.42443%0.429SS..EExtended strand (participates in β ladder)trans-79.3121.5169.9-63.3174.6000108.8L37 A38 H40L37-L64 WeakPolarHBondContact CA-O 3.41Å; A38-L64 PolarHBondContact N-O 2.84Å; A38-L64 PolarHBondContact O-N 3.25Å; H40-L64 HydrophobicContact CB-CG 4.18Å
65L89.1Confident84.9Confident48 Ų4867.5 Ų67.525%0.25142%0.415SS..EExtended strand (participates in β ladder)trans-97.7119.4168.3171.164.5000109.1F7 I24 I28 Q35 L37 V67F7-L65 HydrophobicContact CE1-CD2 4.31Å; F7-L65 HydrophobicContact CZ-CD2 4.2Å; I24-L65 HydrophobicContact CG2-CD2 3.8Å; I28-L65 HydrophobicContact CD1-CD2 3.49Å; I28-L65 VanDerWaalsContact CD1-CD2 3.49Å; Q35-L65 HydrophobicContact CB-CD1 3.81Å; Q35-L65 HydrophobicContact CG-CD1 3.93Å; L37-L65 HydrophobicContact CD2-CB 4.1Å; L37-L65 HydrophobicContact CD2-CD1 3.63Å; L37-L65 HydrophobicContact CD2-CG 4.43Å; L65-V67 HydrophobicContact CD1-CG2 4.47Å; L65-V67 HydrophobicContact CD2-CG2 4.29Å; L65-V67 HydrophobicContact CG-CG2 4.2Å
66V88.1Confident85.4Confident81 Ų8165.6 Ų65.649%0.49141%0.407SS..EExtended strand (participates in β ladder)trans-108.1121.8166.3-179.50000107.5R36R36-V66 HydrophobicContact CB-CB 4.17Å; R36-V66 WeakPolarHBondContact CB-O 3.33Å; R36-V66 PolarHBondContact N-O 3.01Å; R36-V66 PolarHBondContact O-N 2.78Å
67V87.1Confident86.2Confident66 Ų6664.9 Ų64.940%0.439%0.388SS..EExtended strand (participates in β ladder)trans-87.5113.5176.2-178.20000108.3V30 L65 K69V30-V67 HydrophobicContact CG1-CB 4.5Å; V30-V67 HydrophobicContact CG1-CG1 3.71Å; V30-V67 HydrophobicContact CG1-CG2 4.1Å; V30-V67 HydrophobicContact CG2-CG1 4.32Å; V30-V67 HydrophobicContact CG2-CG2 4.17Å; L65-V67 HydrophobicContact CD1-CG2 4.47Å; L65-V67 HydrophobicContact CD2-CG2 4.29Å; L65-V67 HydrophobicContact CG-CG2 4.2Å; V67-K69 PolarHBondContact O-N 2.85Å
68D82.4Confident86.9Confident51 Ų5164.5 Ų64.527%0.27339%0.387SS..  trans-79.9115173.8-161.4-15.6000108.6Q34 R36 C70Q34-D68 WeakPolarHBondContact CB-O 3.11Å; Q34-D68 PolarHBondContact O-N 3.33Å; R36-D68 HydrophobicContact CG-CB 4.33Å; R36-D68 IonicContact CZ-OD2 2.79Å; R36-D68 IonicContact NE-OD2 2.77Å; R36-D68 IonicContact NH2-OD2 3.61Å; R36-D68 PolarHBondContact NH2-OD2 3.12Å; D68-C70 PolarHBondContact O-N 2.86Å; D68-C70 PolarHBondContact OD1-SG 2.98Å; D68-C70 PolarHBondContact OD2-SG 2.85Å
69K71.4Confident87.6Confident181 Ų18168.2 Ų68.279%0.78739%0.393SS*.  trans-79.352.1174.7-64.4-173.8-179.6-176.80109.9V67 D71V67-K69 PolarHBondContact O-N 2.85Å; K69-D71 PolarHBondContact O-N 2.86Å
70C65.6Low88.1Confident47 Ų4761.8 Ų61.832%0.31835%0.351SS..  trans-72.365.1171.2-81.10000109.5D68D68-C70 PolarHBondContact O-N 2.86Å; D68-C70 PolarHBondContact OD1-SG 2.98Å; D68-C70 PolarHBondContact OD2-SG 2.85Å
71D75.8Confident88.5Confident66 Ų6663.8 Ų63.835%0.35334%0.342SS..  trans-11013.5172.4-159.844.5000111.8K69 R91 T93K69-D71 PolarHBondContact O-N 2.86Å; D71-R91 WeakPolarHBondContact O-CD 3.24Å; D71-R91 PolarHBondContact O-NE 3.48Å; D71-T93 HydrophobicContact CB-CG2 4.49Å; D71-T93 WeakPolarHBondContact OD1-CB 3.5Å; D71-T93 WeakPolarHBondContact OD1-CG2 3.44Å; D71-T93 PolarHBondContact OD1-OG1 3.46Å
72E84.8Confident88.7Confident151 Ų15169.4 Ų69.471%0.70636%0.36SS*.  trans-63.2139.5173.2-68.2-59.4140.600110.1L74E72-L74 PolarHBondContact O-N 3.46Å
73P91.4Very high88.9Confident55 Ų5568.6 Ų68.636%0.35736%0.364SS..  trans-58137.6173.6-19.330.5000110.9E89P73-E89 HydrophobicContact CB-CG 3.72Å
74L93.1Very high89.2Confident18 Ų1872.5 Ų72.59%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-126.1145.3172.677.9118.4000110.4E72 I76 E89 V90 L92E72-L74 PolarHBondContact O-N 3.46Å; L74-I76 HydrophobicContact CD1-CG2 3.29Å; L74-I76 HydrophobicContact CG-CG2 4.38Å; L74-E89 WeakPolarHBondContact O-CA 3.4Å; L74-V90 HydrophobicContact CD1-CG2 4.04Å; L74-V90 HydrophobicContact CD2-CG2 4.01Å; L74-V90 HydrophobicContact CG-CG2 3.69Å; L74-V90 PolarHBondContact N-O 2.92Å; L74-V90 PolarHBondContact O-N 2.91Å; L74-L92 HydrophobicContact CD2-CB 4.49Å; L74-L92 HydrophobicContact CD2-CD1 4.42Å; L74-L92 HydrophobicContact CD2-CD2 3.31Å; L74-L92 HydrophobicContact CD2-CG 3.44Å; L74-L92 VanDerWaalsContact CD2-CG 3.44Å
75S96.5Very high89.5Confident50 Ų5070.9 Ų70.935%0.3537%0.37SS..EExtended strand (participates in β ladder)trans-94.2124.4175.8-52.90000110Y88 L137S75-Y88 CarbonylContact C-O 3.54Å; S75-Y88 WeakPolarHBondContact CA-O 3.28Å; S75-L137 PolarHBondContact O-N 3Å
76I97.4Very high89.9Confident0 Ų069.7 Ų69.70%037%0.365CS..EExtended strand (participates in β ladder)trans-115166.1171.263.5171.3000110.8L74 V78 T87 Y88 V90 L99 L134 V140L74-I76 HydrophobicContact CD1-CG2 3.29Å; L74-I76 HydrophobicContact CG-CG2 4.38Å; I76-V78 HydrophobicContact CD1-CG2 4.46Å; I76-T87 CarbonylContact O-C 3.55Å; I76-T87 WeakPolarHBondContact O-CA 3.47Å; I76-Y88 PolarHBondContact N-O 2.8Å; I76-Y88 PolarHBondContact O-N 2.85Å; I76-V90 HydrophobicContact CD1-CG1 3.97Å; I76-V90 HydrophobicContact CD1-CG2 4.01Å; I76-V90 HydrophobicContact CG1-CG1 4.14Å; I76-V90 HydrophobicContact CG1-CG2 4.05Å; I76-V90 HydrophobicContact CG2-CG2 4.01Å; I76-L99 HydrophobicContact CD1-CD1 4.11Å; I76-L99 HydrophobicContact CD1-CD2 3.67Å; I76-L134 HydrophobicContact CD1-CD1 4.32Å; I76-V140 HydrophobicContact CD1-CG2 4.26Å
77L97.9Very high90.3Very high43 Ų4370 Ų7023%0.22537%0.368CS..EExtended strand (participates in β ladder)trans-107.9131.1173.1-61171000109.1S86 S138 T139 V140L77-S86 WeakPolarHBondContact CA-O 3.44Å; L77-S138 PolarHBondContact N-O 2.93Å; L77-T139 CarbonylContact O-C 3.55Å; L77-T139 WeakPolarHBondContact O-CA 3.19Å; L77-V140 PolarHBondContact O-N 3.22Å
78V97.9Very high90.8Very high6 Ų667.5 Ų67.54%0.03635%0.351CS..EExtended strand (participates in β ladder)trans-110122.6166.5179.20000108.2I76 S85 S86 Y88 L99 V103 L116 V140 M142I76-V78 HydrophobicContact CD1-CG2 4.46Å; V78-S85 WeakPolarHBondContact O-CA 3.43Å; V78-S86 PolarHBondContact N-O 3.13Å; V78-S86 PolarHBondContact O-N 3.24Å; V78-Y88 HydrophobicContact CB-CD2 3.85Å; V78-Y88 HydrophobicContact CB-CE2 3.6Å; V78-Y88 HydrophobicContact CG2-CD2 3.6Å; V78-Y88 HydrophobicContact CG2-CE2 3.81Å; V78-Y88 HydrophobicContact CG2-CG 4.3Å; V78-L99 HydrophobicContact CG2-CD1 4.33Å; V78-V103 HydrophobicContact CB-CG2 4.26Å; V78-V103 HydrophobicContact CG1-CG1 4.28Å; V78-V103 HydrophobicContact CG1-CG2 3.99Å; V78-V103 HydrophobicContact CG2-CG2 3.91Å; V78-L116 HydrophobicContact CG1-CD2 4.3Å; V78-V140 CarbonylContact C-O 3.57Å; V78-V140 WeakPolarHBondContact CA-O 3.45Å; V78-V140 HydrophobicContact CG2-CB 4.28Å; V78-M142 HydrophobicContact CG1-CB 4.2Å
79R97.7Very high91.5Very high103 Ų10371 Ų7139%0.38937%0.366SS..EExtended strand (participates in β ladder)trans-97.8123.4176.2-176.4174.4-72.6177.1-0.1110.2R84 S85 T139 V140 F141 M142R79-R84 WeakPolarHBondContact CA-O 3.39Å; R79-S85 PolarHBondContact NE-OG 2.91Å; R79-T139 HydrophobicContact CB-CG2 4.17Å; R79-V140 PolarHBondContact N-O 2.97Å; R79-F141 HydrophobicContact CB-CD1 4.17Å; R79-F141 HydrophobicContact CB-CE1 4.44Å; R79-F141 HydrophobicContact CG-CD1 4.47Å; R79-M142 PolarHBondContact O-N 2.78Å
80N95Very high92.6Very high7 Ų762.5 Ų62.54%0.03733%0.329CS..  trans-83.1171.6175.872.99.1000112.8K82 G83 R84 E107 M142N80-K82 PolarHBondContact O-N 2.93Å; N80-K82 VanDerWaalsContact O-N 3.14Å; N80-K82 WeakPolarHBondContact OD1-CA 3.48Å; N80-K82 WeakPolarHBondContact OD1-CB 3.17Å; N80-K82 PolarHBondContact OD1-N 2.89Å; N80-K82 VanDerWaalsContact OD1-N 3.08Å; N80-G83 PolarHBondContact O-N 3.26Å; N80-G83 PolarHBondContact OD1-N 3.42Å; N80-R84 PolarHBondContact N-O 3.02Å; N80-R84 WeakPolarHBondContact OD1-CB 3.12Å; N80-R84 PolarHBondContact OD1-N 3.33Å; N80-R84 PolarHBondContact OD1-O 3.36Å; N80-E107 PolarHBondContact ND2-OE1 3.14Å; N80-E107 PolarHBondContact ND2-OE2 3.34Å; N80-M142 HydrophobicContact CB-SD 4.14Å
81N91.1Very high94Very high123 Ų12364.9 Ų64.966%0.65833%0.331SS*.THydrogen-bonded Turntrans-62.3-15.9177.463.60000114.4G83N81-G83 VanDerWaalsContact C-N 3.28Å
82K92.4Very high94.8Very high172 Ų17263.2 Ų63.275%0.74832%0.322SS*.THydrogen-bonded Turntrans-85.50.6172.4-59.9174.1-175.5170.60112.7N80 R84N80-K82 PolarHBondContact O-N 2.93Å; N80-K82 VanDerWaalsContact O-N 3.14Å; N80-K82 WeakPolarHBondContact OD1-CA 3.48Å; N80-K82 WeakPolarHBondContact OD1-CB 3.17Å; N80-K82 PolarHBondContact OD1-N 2.89Å; N80-K82 VanDerWaalsContact OD1-N 3.08Å; K82-R84 VanDerWaalsContact C-N 3.29Å; K82-R84 PolarHBondContact O-N 3.28Å
83G92.9Very high95.1Very high47 Ų4758 Ų5849%0.48530%0.301SS..SBendtrans78.86.2-177.700000114.6N80 N81N80-G83 PolarHBondContact O-N 3.26Å; N80-G83 PolarHBondContact OD1-N 3.42Å; N81-G83 VanDerWaalsContact C-N 3.28Å
84R95.5Very high95.3Very high126 Ų12657 Ų5748%0.47529%0.291SS..  trans-82.9131.2176.8-176179.668.5-166.62.8109.8R79 N80 K82 E107R79-R84 WeakPolarHBondContact CA-O 3.39Å; N80-R84 PolarHBondContact N-O 3.02Å; N80-R84 WeakPolarHBondContact OD1-CB 3.12Å; N80-R84 PolarHBondContact OD1-N 3.33Å; N80-R84 PolarHBondContact OD1-O 3.36Å; K82-R84 VanDerWaalsContact C-N 3.29Å; K82-R84 PolarHBondContact O-N 3.28Å; R84-E107 IonicContact CZ-OE1 3.83Å; R84-E107 IonicContact NE-OE1 3.48Å; R84-E107 VanDerWaalsContact NH2-CD 3.28Å; R84-E107 IonicContact NH2-OE1 3.08Å; R84-E107 PolarHBondContact NH2-OE1 3.36Å; R84-E107 IonicContact NH2-OE2 3.32Å; R84-E107 PolarHBondContact NH2-OE2 3.09Å; R84-E107 VanDerWaalsContact NH2-OE2 3.08Å
85S96.6Very high95.4Very high47 Ų4758.8 Ų58.833%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-104128.9173.2-68.20000110.7V78 R79V78-S85 WeakPolarHBondContact O-CA 3.43Å; R79-S85 PolarHBondContact NE-OG 2.91Å
86S96.9Very high95.4Very high23 Ų2356.4 Ų56.416%0.16129%0.286CS..EExtended strand (participates in β ladder)trans-116.5147.6174.1-64.90000110L77 V78 Y88L77-S86 WeakPolarHBondContact CA-O 3.44Å; V78-S86 PolarHBondContact N-O 3.13Å; V78-S86 PolarHBondContact O-N 3.24Å; S86-Y88 WeakPolarHBondContact O-CD2 3.19Å
87T97.3Very high95.4Very high89 Ų8957.9 Ų57.955%0.54630%0.299SS..EExtended strand (participates in β ladder)trans-87.9134.6178.5-53.30000110.7I76I76-T87 CarbonylContact O-C 3.55Å; I76-T87 WeakPolarHBondContact O-CA 3.47Å
88Y96.9Very high95.4Very high13 Ų1359 Ų595%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-125131.9175.8-67.1-99000109.5S75 I76 V78 S86 L99 Q102 V103 L106S75-Y88 CarbonylContact C-O 3.54Å; S75-Y88 WeakPolarHBondContact CA-O 3.28Å; I76-Y88 PolarHBondContact N-O 2.8Å; I76-Y88 PolarHBondContact O-N 2.85Å; V78-Y88 HydrophobicContact CB-CD2 3.85Å; V78-Y88 HydrophobicContact CB-CE2 3.6Å; V78-Y88 HydrophobicContact CG2-CD2 3.6Å; V78-Y88 HydrophobicContact CG2-CE2 3.81Å; V78-Y88 HydrophobicContact CG2-CG 4.3Å; S86-Y88 WeakPolarHBondContact O-CD2 3.19Å; Y88-L99 HydrophobicContact CD1-CD1 4.39Å; Y88-L99 HydrophobicContact CG-CD1 4.34Å; Y88-Q102 HydrophobicContact CD1-CB 4.02Å; Y88-Q102 HydrophobicContact CE1-CB 4.15Å; Y88-V103 HydrophobicContact CD1-CG2 4.41Å; Y88-V103 HydrophobicContact CE1-CB 4.48Å; Y88-V103 HydrophobicContact CE1-CG2 3.86Å; Y88-V103 HydrophobicContact CE2-CG2 4.25Å; Y88-L106 HydrophobicContact CE1-CB 4.46Å; Y88-L106 HydrophobicContact CE1-CD1 4.29Å; Y88-L106 WeakPolarHBondContact OH-CB 3.43Å
89E96.6Very high95.3Very high124 Ų12458.7 Ų58.758%0.57930%0.301SS*.EExtended strand (participates in β ladder)trans-87.6121169.5-171179.5108.400109P73 L74P73-E89 HydrophobicContact CB-CG 3.72Å; L74-E89 WeakPolarHBondContact O-CA 3.4Å
90V95.4Very high95.3Very high2 Ų254.5 Ų54.51%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-134160.3-175.8-57.60000110.7L74 I76 L99 L129L74-V90 HydrophobicContact CD1-CG2 4.04Å; L74-V90 HydrophobicContact CD2-CG2 4.01Å; L74-V90 HydrophobicContact CG-CG2 3.69Å; L74-V90 PolarHBondContact N-O 2.92Å; L74-V90 PolarHBondContact O-N 2.91Å; I76-V90 HydrophobicContact CD1-CG1 3.97Å; I76-V90 HydrophobicContact CD1-CG2 4.01Å; I76-V90 HydrophobicContact CG1-CG1 4.14Å; I76-V90 HydrophobicContact CG1-CG2 4.05Å; I76-V90 HydrophobicContact CG2-CG2 4.01Å; V90-L99 HydrophobicContact CG1-CD1 3.87Å; V90-L129 HydrophobicContact CB-CD1 3.67Å; V90-L129 HydrophobicContact CG1-CD1 4.04Å; V90-L129 HydrophobicContact CG2-CD1 3.88Å
91R94.6Very high95.4Very high97 Ų9759.8 Ų59.837%0.36631%0.31SS..  trans-109.8143.6166-64.1-177.9175.387.93.6109.3D71 T93 Q94D71-R91 WeakPolarHBondContact O-CD 3.24Å; D71-R91 PolarHBondContact O-NE 3.48Å; R91-T93 PolarHBondContact O-N 3.35Å; R91-T93 VanDerWaalsContact O-N 3.12Å; R91-Q94 HydrophobicContact CB-CG 4.13Å; R91-Q94 WeakPolarHBondContact O-CB 3.49Å; R91-Q94 PolarHBondContact O-N 3.25Å
92L92.9Very high95.6Very high31 Ų3157.1 Ų57.116%0.16229%0.293CS..THydrogen-bonded Turntrans-62-22.2178.8-65.5-179000112.9F33 L74 P128 L129 G130 L134F33-L92 HydrophobicContact CD2-CB 4.13Å; F33-L92 HydrophobicContact CD2-CD1 4.09Å; F33-L92 HydrophobicContact CE2-CB 3.42Å; F33-L92 VanDerWaalsContact CE2-CB 3.42Å; F33-L92 HydrophobicContact CE2-CD1 4.06Å; F33-L92 HydrophobicContact CE2-CG 4.4Å; F33-L92 HydrophobicContact CZ-CB 3.69Å; F33-L92 WeakPolarHBondContact CZ-O 3.39Å; L74-L92 HydrophobicContact CD2-CB 4.49Å; L74-L92 HydrophobicContact CD2-CD1 4.42Å; L74-L92 HydrophobicContact CD2-CD2 3.31Å; L74-L92 HydrophobicContact CD2-CG 3.44Å; L74-L92 VanDerWaalsContact CD2-CG 3.44Å; L92-P128 WeakPolarHBondContact O-CB 3.49Å; L92-L129 PolarHBondContact O-N 2.97Å; L92-G130 PolarHBondContact O-N 3.36Å; L92-L134 HydrophobicContact CD2-CB 4.13Å
93T91.4Very high95.8Very high41 Ų4148.9 Ų48.925%0.25226%0.258SS..THydrogen-bonded Turntrans-77.3-19.3175.455.90000113.7F33 D71 R91F33-T93 HydrophobicContact CZ-CG2 3.94Å; D71-T93 HydrophobicContact CB-CG2 4.49Å; D71-T93 WeakPolarHBondContact OD1-CB 3.5Å; D71-T93 WeakPolarHBondContact OD1-CG2 3.44Å; D71-T93 PolarHBondContact OD1-OG1 3.46Å; R91-T93 PolarHBondContact O-N 3.35Å; R91-T93 VanDerWaalsContact O-N 3.12Å
94Q94.7Very high95.9Very high34 Ų3447.9 Ų47.916%0.15924%0.243CC..SBendtrans-68.8148176.5-73.7168.7-23.600110.3R91 H98 P128 L129R91-Q94 HydrophobicContact CB-CG 4.13Å; R91-Q94 WeakPolarHBondContact O-CB 3.49Å; R91-Q94 PolarHBondContact O-N 3.25Å; Q94-H98 HydrophobicContact CB-CB 4.32Å; Q94-H98 PolarHBondContact NE2-CE1 2.8Å; Q94-P128 CarbonylContact O-C 3.52Å; Q94-P128 VanDerWaalsContact O-CA 3.27Å; Q94-P128 WeakPolarHBondContact O-CA 3.42Å; Q94-L129 HydrophobicContact CB-CD1 4.33Å; Q94-L129 WeakPolarHBondContact O-CG 3.36Å; Q94-L129 PolarHBondContact O-N 3.04Å
95T95.9Very high95.9Very high56 Ų5645.1 Ų45.134%0.34425%0.254SS..BIsolated β-bridgetrans-75.8159176.259.70000111.6A97 H98 L99 L127T95-A97 PolarHBondContact O-N 3.47Å; T95-H98 WeakPolarHBondContact O-CB 3.44Å; T95-H98 PolarHBondContact O-N 3.38Å; T95-H98 VanDerWaalsContact O-N 3.12Å; T95-H98 PolarHBondContact OG1-N 2.81Å; T95-L99 PolarHBondContact O-N 2.78Å; T95-L127 CarbonylContact C-O 3.59Å; T95-L127 WeakPolarHBondContact CA-O 3.33Å
96V97.2Very high95.7Very high0 Ų047 Ų470%026%0.26CS..Hα-helixtrans-59.7-37.3171171.70000110.9H98 L99 K100 L123 E124 L127 L129 Y132V96-H98 VanDerWaalsContact C-N 3.26Å; V96-H98 PolarHBondContact O-N 2.95Å; V96-L99 PolarHBondContact O-N 2.81Å; V96-L99 VanDerWaalsContact O-N 3.12Å; V96-K100 HydrophobicContact CG1-CD 4.3Å; V96-K100 HydrophobicContact CG1-CG 4.39Å; V96-K100 PolarHBondContact O-N 3.45Å; V96-L123 HydrophobicContact CB-CB 4.32Å; V96-L123 HydrophobicContact CG1-CB 3.56Å; V96-L123 HydrophobicContact CG1-CD1 4.49Å; V96-L123 HydrophobicContact CG2-CB 3.77Å; V96-L123 HydrophobicContact CG2-CD1 4.39Å; V96-E124 VanDerWaalsContact CB-O 3.27Å; V96-E124 WeakPolarHBondContact CB-O 3.4Å; V96-E124 WeakPolarHBondContact CG2-O 3.21Å; V96-L127 WeakPolarHBondContact CG2-O 3.44Å; V96-L127 PolarHBondContact N-O 3.46Å; V96-L129 HydrophobicContact CG2-CD2 4.03Å; V96-Y132 HydrophobicContact CG2-CD2 4.32Å; V96-Y132 HydrophobicContact CG2-CE2 3.69Å
97A97.4Very high95.5Very high31 Ų3147.7 Ų47.726%0.25626%0.26SS..Hα-helixtrans-56.2-4017400000112.4T95 K100 Q101 D125T95-A97 PolarHBondContact O-N 3.47Å; A97-K100 PolarHBondContact O-N 2.85Å; A97-Q101 WeakPolarHBondContact O-CG 3.39Å; A97-Q101 PolarHBondContact O-N 3.17Å; A97-D125 HydrophobicContact CB-CB 4.13Å; A97-D125 WeakPolarHBondContact CB-O 3.38Å; A97-D125 PolarHBondContact N-O 3.04Å; A97-D125 VanDerWaalsContact N-O 3.1Å
98H96.8Very high95.3Very high66 Ų6646.9 Ų46.931%0.30627%0.27SS..Hα-helixtrans-63.5-43.4176.4-177.5-80000111.9Q94 T95 V96 Q101 Q102Q94-H98 HydrophobicContact CB-CB 4.32Å; Q94-H98 PolarHBondContact NE2-CE1 2.8Å; T95-H98 WeakPolarHBondContact O-CB 3.44Å; T95-H98 PolarHBondContact O-N 3.38Å; T95-H98 VanDerWaalsContact O-N 3.12Å; T95-H98 PolarHBondContact OG1-N 2.81Å; V96-H98 VanDerWaalsContact C-N 3.26Å; V96-H98 PolarHBondContact O-N 2.95Å; H98-Q101 PolarHBondContact O-N 3.37Å; H98-Q102 PolarHBondContact O-N 3.19Å
99L96.9Very high95.1Very high0 Ų048.5 Ų48.50%028%0.281CS..Hα-helixtrans-63.7-41.2174.4176.557.8000111.7I76 V78 Y88 V90 T95 V96 Q101 Q102 V103 L116 L129I76-L99 HydrophobicContact CD1-CD1 4.11Å; I76-L99 HydrophobicContact CD1-CD2 3.67Å; V78-L99 HydrophobicContact CG2-CD1 4.33Å; Y88-L99 HydrophobicContact CD1-CD1 4.39Å; Y88-L99 HydrophobicContact CG-CD1 4.34Å; V90-L99 HydrophobicContact CG1-CD1 3.87Å; T95-L99 PolarHBondContact O-N 2.78Å; V96-L99 PolarHBondContact O-N 2.81Å; V96-L99 VanDerWaalsContact O-N 3.12Å; L99-Q101 VanDerWaalsContact C-N 3.31Å; L99-Q101 PolarHBondContact O-N 3.07Å; L99-Q102 WeakPolarHBondContact O-CB 3.26Å; L99-Q102 PolarHBondContact O-N 3.42Å; L99-Q102 VanDerWaalsContact O-N 3.17Å; L99-V103 HydrophobicContact CD1-CG2 4.08Å; L99-V103 HydrophobicContact CG-CG2 4.38Å; L99-V103 WeakPolarHBondContact O-CG2 3.49Å; L99-V103 PolarHBondContact O-N 2.98Å; L99-L116 HydrophobicContact CB-CD1 4.4Å; L99-L116 HydrophobicContact CD2-CD1 3.74Å; L99-L116 HydrophobicContact CG-CD1 3.78Å; L99-L129 HydrophobicContact CB-CD1 4.35Å; L99-L129 HydrophobicContact CB-CD2 4.2Å; L99-L129 HydrophobicContact CD2-CD1 4.42Å; L99-L129 HydrophobicContact CD2-CD2 3.7Å
100K96.8Very high95.1Very high15 Ų1548.7 Ų48.77%0.06528%0.282CS..Hα-helixtrans-58.9-42.1175.8-74.2177.963.8-176.60111.7V96 A97 Q102 V103 S104 D111 F114 L116 D125V96-K100 HydrophobicContact CG1-CD 4.3Å; V96-K100 HydrophobicContact CG1-CG 4.39Å; V96-K100 PolarHBondContact O-N 3.45Å; A97-K100 PolarHBondContact O-N 2.85Å; K100-Q102 VanDerWaalsContact C-N 3.34Å; K100-Q102 PolarHBondContact O-N 3.21Å; K100-V103 PolarHBondContact O-N 3.31Å; K100-S104 WeakPolarHBondContact O-CB 3.33Å; K100-S104 PolarHBondContact O-N 3.49Å; K100-D111 HydrophobicContact CB-CB 4.27Å; K100-D111 WeakPolarHBondContact CE-O 3.41Å; K100-D111 PolarHBondContact NZ-O 2.9Å; K100-F114 HydrophobicContact CB-CE2 4.22Å; K100-F114 HydrophobicContact CB-CZ 4.11Å; K100-F114 HydrophobicContact CG-CE2 3.96Å; K100-F114 HydrophobicContact CG-CZ 4.35Å; K100-F114 WeakPolarHBondContact O-CZ 3.35Å; K100-L116 HydrophobicContact CG-CD1 3.77Å; K100-L116 HydrophobicContact CG-CG 4.04Å; K100-D125 WeakPolarHBondContact CD-OD1 3.27Å; K100-D125 IonicContact NZ-OD1 2.91Å; K100-D125 PolarHBondContact NZ-OD1 3.36Å; K100-D125 IonicContact NZ-OD2 3.73Å; K100-D125 PolarHBondContact NZ-OD2 2.91Å
101Q96.8Very high95Very high119 Ų11951.5 Ų51.556%0.55630%0.297SS*.Hα-helixtrans-61.4-41.4175.5-72.2177.6-1000112.5A97 H98 L99 S104 G105A97-Q101 WeakPolarHBondContact O-CG 3.39Å; A97-Q101 PolarHBondContact O-N 3.17Å; H98-Q101 PolarHBondContact O-N 3.37Å; L99-Q101 VanDerWaalsContact C-N 3.31Å; L99-Q101 PolarHBondContact O-N 3.07Å; Q101-S104 PolarHBondContact O-N 3.13Å; Q101-G105 PolarHBondContact O-N 2.97Å
102Q96.3Very high94.9Very high66 Ų6652.2 Ų52.231%0.30831%0.308SS..Hα-helixtrans-63.1-45175.5-67.8178.4-47.100111.9Y88 H98 L99 K100 G105 L106Y88-Q102 HydrophobicContact CD1-CB 4.02Å; Y88-Q102 HydrophobicContact CE1-CB 4.15Å; H98-Q102 PolarHBondContact O-N 3.19Å; L99-Q102 WeakPolarHBondContact O-CB 3.26Å; L99-Q102 PolarHBondContact O-N 3.42Å; L99-Q102 VanDerWaalsContact O-N 3.17Å; K100-Q102 VanDerWaalsContact C-N 3.34Å; K100-Q102 PolarHBondContact O-N 3.21Å; Q102-G105 PolarHBondContact O-N 3.2Å; Q102-L106 PolarHBondContact O-N 3.01Å
103V95.7Very high95Very high0 Ų055.9 Ų55.90%033%0.327CS..Hα-helixtrans-64.9-42.7178174.40000110.9V78 Y88 L99 K100 G105 L106 E107 F114 M142V78-V103 HydrophobicContact CB-CG2 4.26Å; V78-V103 HydrophobicContact CG1-CG1 4.28Å; V78-V103 HydrophobicContact CG1-CG2 3.99Å; V78-V103 HydrophobicContact CG2-CG2 3.91Å; Y88-V103 HydrophobicContact CD1-CG2 4.41Å; Y88-V103 HydrophobicContact CE1-CB 4.48Å; Y88-V103 HydrophobicContact CE1-CG2 3.86Å; Y88-V103 HydrophobicContact CE2-CG2 4.25Å; L99-V103 HydrophobicContact CD1-CG2 4.08Å; L99-V103 HydrophobicContact CG-CG2 4.38Å; L99-V103 WeakPolarHBondContact O-CG2 3.49Å; L99-V103 PolarHBondContact O-N 2.98Å; K100-V103 PolarHBondContact O-N 3.31Å; V103-G105 VanDerWaalsContact C-N 3.34Å; V103-G105 PolarHBondContact O-N 3.44Å; V103-L106 PolarHBondContact O-N 3.03Å; V103-E107 HydrophobicContact CG1-CG 4.18Å; V103-E107 WeakPolarHBondContact O-CB 3.42Å; V103-E107 PolarHBondContact O-N 3.2Å; V103-F114 HydrophobicContact CB-CE2 4.23Å; V103-F114 HydrophobicContact CB-CZ 4.02Å; V103-F114 HydrophobicContact CG1-CE2 3.94Å; V103-F114 HydrophobicContact CG1-CZ 3.89Å; V103-M142 HydrophobicContact CG1-SD 3.98Å
104S95.6Very high95.2Very high25 Ų2554.2 Ų54.218%0.17532%0.317CS..Hα-helixtrans-56.6-46.7176.1175.20000111.6K100 Q101 L106 G108 V109K100-S104 WeakPolarHBondContact O-CB 3.33Å; K100-S104 PolarHBondContact O-N 3.49Å; Q101-S104 PolarHBondContact O-N 3.13Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 3.23Å; S104-G108 VanDerWaalsContact O-CA 3.32Å; S104-G108 WeakPolarHBondContact O-CA 3.3Å; S104-G108 PolarHBondContact O-N 2.96Å; S104-V109 VanDerWaalsContact CA-O 3.27Å; S104-V109 WeakPolarHBondContact CA-O 3.44Å; S104-V109 WeakPolarHBondContact CB-O 3.5Å; S104-V109 PolarHBondContact O-N 3.49Å; S104-V109 PolarHBondContact OG-O 3.1Å
105G94.9Very high95.3Very high68 Ų6859.3 Ų59.370%0.70133%0.334SS*.Hα-helixtrans-63.1-35.4178.100000113.9Q101 Q102 V103Q101-G105 PolarHBondContact O-N 2.97Å; Q102-G105 PolarHBondContact O-N 3.2Å; V103-G105 VanDerWaalsContact C-N 3.34Å; V103-G105 PolarHBondContact O-N 3.44Å
106L92.9Very high95.4Very high88 Ų8856.7 Ų56.746%0.46132%0.318SS..Hα-helixtrans-82.3-41.2-179.1-168149.9000112.7Y88 Q102 V103 S104Y88-L106 HydrophobicContact CE1-CB 4.46Å; Y88-L106 HydrophobicContact CE1-CD1 4.29Å; Y88-L106 WeakPolarHBondContact OH-CB 3.43Å; Q102-L106 PolarHBondContact O-N 3.01Å; V103-L106 PolarHBondContact O-N 3.03Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 3.23Å
107E92.7Very high95.4Very high36 Ų3657.8 Ų57.817%0.16833%0.325CS..Hα-helixtrans-86.2-16.4-178.1-65.6-65.9141.400112.9N80 R84 V103 V109 M142N80-E107 PolarHBondContact ND2-OE1 3.14Å; N80-E107 PolarHBondContact ND2-OE2 3.34Å; R84-E107 IonicContact CZ-OE1 3.83Å; R84-E107 IonicContact NE-OE1 3.48Å; R84-E107 VanDerWaalsContact NH2-CD 3.28Å; R84-E107 IonicContact NH2-OE1 3.08Å; R84-E107 PolarHBondContact NH2-OE1 3.36Å; R84-E107 IonicContact NH2-OE2 3.32Å; R84-E107 PolarHBondContact NH2-OE2 3.09Å; R84-E107 VanDerWaalsContact NH2-OE2 3.08Å; V103-E107 HydrophobicContact CG1-CG 4.18Å; V103-E107 WeakPolarHBondContact O-CB 3.42Å; V103-E107 PolarHBondContact O-N 3.2Å; E107-V109 VanDerWaalsContact C-N 3.35Å; E107-V109 HydrophobicContact CB-CG2 4.33Å; E107-M142 HydrophobicContact CG-SD 4.17Å
108G93Very high95.4Very high72 Ų7257 Ų5774%0.74232%0.316SS*.THydrogen-bonded Turntrans71.827-17900000113.6S104S104-G108 VanDerWaalsContact O-CA 3.32Å; S104-G108 WeakPolarHBondContact O-CA 3.3Å; S104-G108 PolarHBondContact O-N 2.96Å
109V93.6Very high95.4Very high48 Ų4861.1 Ų61.129%0.29134%0.335SS..  trans-114.9133.7-179.1-177.30000108.5S104 E107 L113 F114 M142S104-V109 VanDerWaalsContact CA-O 3.27Å; S104-V109 WeakPolarHBondContact CA-O 3.44Å; S104-V109 WeakPolarHBondContact CB-O 3.5Å; S104-V109 PolarHBondContact O-N 3.49Å; S104-V109 PolarHBondContact OG-O 3.1Å; E107-V109 VanDerWaalsContact C-N 3.35Å; E107-V109 HydrophobicContact CB-CG2 4.33Å; V109-L113 HydrophobicContact CG1-CB 3.95Å; V109-L113 HydrophobicContact CG1-CD1 4.46Å; V109-F114 HydrophobicContact CB-CD1 4.39Å; V109-F114 HydrophobicContact CG1-CD1 4.01Å; V109-M142 HydrophobicContact CB-CE 4.07Å; V109-M142 HydrophobicContact CG1-CE 4.22Å; V109-M142 HydrophobicContact CG2-CE 4.12Å
110Q94.6Very high95.2Very high128 Ų12864.7 Ų64.760%0.59837%0.372SS*.  trans-61.2143.4177.8-56-176.8-90.500110.9D112 L113 F114Q110-D112 WeakPolarHBondContact CB-OD1 3.39Å; Q110-D112 PolarHBondContact O-N 2.88Å; Q110-L113 HydrophobicContact CB-CD1 3.95Å; Q110-L113 HydrophobicContact CB-CG 4.08Å; Q110-L113 HydrophobicContact CG-CD1 4.29Å; Q110-L113 WeakPolarHBondContact O-CB 3.5Å; Q110-L113 PolarHBondContact O-N 2.85Å; Q110-F114 VanDerWaalsContact O-CD1 3.25Å; Q110-F114 WeakPolarHBondContact O-CD1 3.25Å
111D93.6Very high95.1Very high60 Ų6070.3 Ų70.332%0.32140%0.396SS..THydrogen-bonded Turntrans-69.4-16.8-17356.7-6.8000114.4K100 F114K100-D111 HydrophobicContact CB-CB 4.27Å; K100-D111 WeakPolarHBondContact CE-O 3.41Å; K100-D111 PolarHBondContact NZ-O 2.9Å; D111-F114 HydrophobicContact CB-CE1 4.34Å
112D93.6Very high95.1Very high113 Ų11368.8 Ų68.860%0.60440%0.397SS*.THydrogen-bonded Turntrans-80.7-15.3170.665.1-43.8000113.4Q110Q110-D112 WeakPolarHBondContact CB-OD1 3.39Å; Q110-D112 PolarHBondContact O-N 2.88Å
113L95Very high95.1Very high108 Ų10866.1 Ų66.157%0.56539%0.385SS*.SBendtrans-92.3-1.6-177-61.6177.9000114.3V109 Q110V109-L113 HydrophobicContact CG1-CB 3.95Å; V109-L113 HydrophobicContact CG1-CD1 4.46Å; Q110-L113 HydrophobicContact CB-CD1 3.95Å; Q110-L113 HydrophobicContact CB-CG 4.08Å; Q110-L113 HydrophobicContact CG-CD1 4.29Å; Q110-L113 WeakPolarHBondContact O-CB 3.5Å; Q110-L113 PolarHBondContact O-N 2.85Å
114F95.7Very high95.1Very high6 Ų670.8 Ų70.83%0.02641%0.406CS..  trans-144.5162176.970.8-90000111.8K100 V103 V109 Q110 D111 L116 M142 N143K100-F114 HydrophobicContact CB-CE2 4.22Å; K100-F114 HydrophobicContact CB-CZ 4.11Å; K100-F114 HydrophobicContact CG-CE2 3.96Å; K100-F114 HydrophobicContact CG-CZ 4.35Å; K100-F114 WeakPolarHBondContact O-CZ 3.35Å; V103-F114 HydrophobicContact CB-CE2 4.23Å; V103-F114 HydrophobicContact CB-CZ 4.02Å; V103-F114 HydrophobicContact CG1-CE2 3.94Å; V103-F114 HydrophobicContact CG1-CZ 3.89Å; V109-F114 HydrophobicContact CB-CD1 4.39Å; V109-F114 HydrophobicContact CG1-CD1 4.01Å; Q110-F114 VanDerWaalsContact O-CD1 3.25Å; Q110-F114 WeakPolarHBondContact O-CD1 3.25Å; D111-F114 HydrophobicContact CB-CE1 4.34Å; F114-L116 HydrophobicContact CD2-CD2 4.13Å; F114-L116 HydrophobicContact CE2-CD2 3.93Å; F114-L116 HydrophobicContact CE2-CG 4.23Å; F114-M142 HydrophobicContact CB-CE 3.76Å; F114-M142 HydrophobicContact CB-CG 4.05Å; F114-M142 HydrophobicContact CD1-CE 3.71Å; F114-M142 HydrophobicContact CD2-CE 4.11Å; F114-M142 HydrophobicContact CD2-CG 3.74Å; F114-M142 HydrophobicContact CD2-SD 4.49Å; F114-M142 HydrophobicContact CE1-CE 4.26Å; F114-M142 HydrophobicContact CE2-CG 4.43Å; F114-M142 HydrophobicContact CG-CE 3.61Å; F114-M142 HydrophobicContact CG-CG 4.03Å; F114-N143 WeakPolarHBondContact CA-O 3.32Å; F114-N143 WeakPolarHBondContact CB-O 3.36Å
115W96.4Very high95.2Very high141 Ų14172.6 Ų72.653%0.53441%0.414SS..  trans-132.1157.5169.766.895000111.5N143W115-N143 HydrophobicContact CD2-CB 4.09Å; W115-N143 VanDerWaalsContact CE2-CB 3.5Å; W115-N143 HydrophobicContact CH2-CB 4.26Å; W115-N143 HydrophobicContact CZ2-CB 3.61Å; W115-N143 PolarHBondContact N-O 3.3Å; W115-N143 VanDerWaalsContact N-O 3.13Å; W115-N143 PolarHBondContact O-N 3.24Å
116L97.7Very high95.1Very high1 Ų175.9 Ų75.91%0.00541%0.411CS..EExtended strand (participates in β ladder)trans-101.2142.7-179.3-61.6-179.8000110.1V78 L99 K100 F114 L123 V140 F141 M142V78-L116 HydrophobicContact CG1-CD2 4.3Å; L99-L116 HydrophobicContact CB-CD1 4.4Å; L99-L116 HydrophobicContact CD2-CD1 3.74Å; L99-L116 HydrophobicContact CG-CD1 3.78Å; K100-L116 HydrophobicContact CG-CD1 3.77Å; K100-L116 HydrophobicContact CG-CG 4.04Å; F114-L116 HydrophobicContact CD2-CD2 4.13Å; F114-L116 HydrophobicContact CE2-CD2 3.93Å; F114-L116 HydrophobicContact CE2-CG 4.23Å; L116-L123 HydrophobicContact CB-CB 4.13Å; L116-L123 HydrophobicContact CB-CD1 3.74Å; L116-L123 HydrophobicContact CB-CG 4.01Å; L116-L123 HydrophobicContact CD1-CD1 4.47Å; L116-L123 PolarHBondContact O-N 2.79Å; L116-V140 HydrophobicContact CB-CG1 3.78Å; L116-V140 HydrophobicContact CD1-CG1 4.34Å; L116-V140 HydrophobicContact CD2-CG1 4.09Å; L116-V140 HydrophobicContact CG-CG1 4.29Å; L116-F141 CarbonylContact C-O 3.53Å; L116-F141 WeakPolarHBondContact CA-O 3.48Å; L116-M142 HydrophobicContact CD2-CB 4.09Å
117T97.7Very high95.1Very high22 Ų2274.4 Ų74.414%0.13540%0.404CS..EExtended strand (participates in β ladder)trans-130.8146.9172.664.20000111.6K121 V140 F141 N143T117-K121 CarbonylContact C-O 3.6Å; T117-K121 WeakPolarHBondContact CA-O 3.42Å; T117-K121 WeakPolarHBondContact CB-O 3.3Å; T117-V140 CarbonylContact O-C 3.56Å; T117-V140 WeakPolarHBondContact O-CA 3.39Å; T117-V140 WeakPolarHBondContact O-CG1 3.42Å; T117-F141 PolarHBondContact N-O 3.34Å; T117-F141 PolarHBondContact O-N 3.41Å; T117-N143 VanDerWaalsContact CG2-ND2 3.34Å; T117-N143 WeakPolarHBondContact CG2-ND2 3.12Å; T117-N143 PolarHBondContact OG1-ND2 3.43Å
118F97.6Very high95.2Very high16 Ų1673.2 Ų73.27%0.0740%0.399CS..EExtended strand (participates in β ladder)trans-137.6131.2174.3179.9-114.4000109.5G120 K121 L123 Y132 L134 T139 V140F118-G120 PolarHBondContact O-N 3.29Å; F118-G120 VanDerWaalsContact O-N 3.08Å; F118-K121 PolarHBondContact N-O 3.24Å; F118-K121 WeakPolarHBondContact O-CB 3.37Å; F118-K121 PolarHBondContact O-N 3.12Å; F118-L123 HydrophobicContact CB-CD2 3.93Å; F118-Y132 WeakPolarHBondContact CD1-O 3.4Å; F118-Y132 WeakPolarHBondContact CE1-O 3.22Å; F118-L134 HydrophobicContact CB-CD2 4.36Å; F118-L134 HydrophobicContact CD1-CD2 3.71Å; F118-L134 HydrophobicContact CD2-CD2 3.71Å; F118-L134 HydrophobicContact CE1-CD2 3.87Å; F118-L134 HydrophobicContact CE2-CD2 3.89Å; F118-L134 HydrophobicContact CG-CD2 3.64Å; F118-L134 HydrophobicContact CZ-CD2 3.97Å; F118-T139 WeakPolarHBondContact CD2-O 3.43Å; F118-V140 HydrophobicContact CD2-CG2 4.37Å
119E95.4Very high95.3Very high151 Ų15169.8 Ų69.871%0.70636%0.363SS*.THydrogen-bonded Turntrans49.136.1-176-63-174.9163.400113.7K121E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 2.8Å
120G92.9Very high95.2Very high75 Ų7567.8 Ų67.877%0.77335%0.352SS*.THydrogen-bonded Turntrans77.43.2-178.400000115.3F118F118-G120 PolarHBondContact O-N 3.29Å; F118-G120 VanDerWaalsContact O-N 3.08Å
121K95.2Very high95Very high134 Ų13465.6 Ų65.658%0.58334%0.342SS*.EExtended strand (participates in β ladder)trans-101.2134.9176.9-62178.3-177.2172.50111T117 F118 E119T117-K121 CarbonylContact C-O 3.6Å; T117-K121 WeakPolarHBondContact CA-O 3.42Å; T117-K121 WeakPolarHBondContact CB-O 3.3Å; F118-K121 PolarHBondContact N-O 3.24Å; F118-K121 WeakPolarHBondContact O-CB 3.37Å; F118-K121 PolarHBondContact O-N 3.12Å; E119-K121 VanDerWaalsContact C-N 3.27Å; E119-K121 PolarHBondContact O-N 2.8Å
122P96.6Very high94.9Very high87 Ų8764.4 Ų64.457%0.56533%0.333SS*.EExtended strand (participates in β ladder)trans-66.8141.617129.4-33.5000110.7
123L96.9Very high94.8Very high10 Ų1061.1 Ų61.15%0.05233%0.326CS..PPolyproline II helixtrans-89134172.8-53.7-168.1000109.4V96 L116 F118 Y132 V140V96-L123 HydrophobicContact CB-CB 4.32Å; V96-L123 HydrophobicContact CG1-CB 3.56Å; V96-L123 HydrophobicContact CG1-CD1 4.49Å; V96-L123 HydrophobicContact CG2-CB 3.77Å; V96-L123 HydrophobicContact CG2-CD1 4.39Å; L116-L123 HydrophobicContact CB-CB 4.13Å; L116-L123 HydrophobicContact CB-CD1 3.74Å; L116-L123 HydrophobicContact CB-CG 4.01Å; L116-L123 HydrophobicContact CD1-CD1 4.47Å; L116-L123 PolarHBondContact O-N 2.79Å; F118-L123 HydrophobicContact CB-CD2 3.93Å; L123-Y132 HydrophobicContact CB-CE2 4.35Å; L123-Y132 HydrophobicContact CD2-CD1 3.24Å; L123-Y132 HydrophobicContact CD2-CD2 3.73Å; L123-Y132 HydrophobicContact CD2-CE1 3.44Å; L123-Y132 VanDerWaalsContact CD2-CE1 3.44Å; L123-Y132 HydrophobicContact CD2-CE2 3.9Å; L123-Y132 HydrophobicContact CD2-CG 3.39Å; L123-V140 HydrophobicContact CD1-CG1 3.95Å
124E96.6Very high94.7Very high97 Ų9756.3 Ų56.345%0.45330%0.301SS..PPolyproline II helixtrans-98.8127.2-177.6-64.4-179.6-136.600110.1V96 Q126 L127 Y132V96-E124 VanDerWaalsContact CB-O 3.27Å; V96-E124 WeakPolarHBondContact CB-O 3.4Å; V96-E124 WeakPolarHBondContact CG2-O 3.21Å; E124-Q126 PolarHBondContact O-N 2.77Å; E124-Q126 VanDerWaalsContact O-N 3.11Å; E124-Q126 PolarHBondContact OE2-NE2 3.04Å; E124-L127 HydrophobicContact CB-CB 4.39Å; E124-L127 HydrophobicContact CB-CD1 4.03Å; E124-L127 HydrophobicContact CB-CG 4.04Å; E124-L127 HydrophobicContact CG-CD1 4.34Å; E124-L127 PolarHBondContact O-N 3.34Å; E124-Y132 WeakPolarHBondContact CB-OH 3.38Å; E124-Y132 PolarHBondContact N-OH 3.17Å
125D95.9Very high94.5Very high64 Ų6463 Ų6334%0.34233%0.33SS..THydrogen-bonded Turntrans-54.2-36.7-170.3-74.28.3000113.8A97 K100A97-D125 HydrophobicContact CB-CB 4.13Å; A97-D125 WeakPolarHBondContact CB-O 3.38Å; A97-D125 PolarHBondContact N-O 3.04Å; A97-D125 VanDerWaalsContact N-O 3.1Å; K100-D125 WeakPolarHBondContact CD-OD1 3.27Å; K100-D125 IonicContact NZ-OD1 2.91Å; K100-D125 PolarHBondContact NZ-OD1 3.36Å; K100-D125 IonicContact NZ-OD2 3.73Å; K100-D125 PolarHBondContact NZ-OD2 2.91Å
126Q93.9Very high94.4Very high137 Ų13761.1 Ų61.164%0.6434%0.336SS*.THydrogen-bonded Turntrans-79-14.1179.161.6-92.814.700115.3E124E124-Q126 PolarHBondContact O-N 2.77Å; E124-Q126 VanDerWaalsContact O-N 3.11Å; E124-Q126 PolarHBondContact OE2-NE2 3.04Å
127L93.6Very high94.2Very high57 Ų5766.7 Ų66.730%0.29837%0.366SS..SBendtrans-89.1146.1-175.9-66.7-175.6000111.6T95 V96 E124 Y132T95-L127 CarbonylContact C-O 3.59Å; T95-L127 WeakPolarHBondContact CA-O 3.33Å; V96-L127 WeakPolarHBondContact CG2-O 3.44Å; V96-L127 PolarHBondContact N-O 3.46Å; E124-L127 HydrophobicContact CB-CB 4.39Å; E124-L127 HydrophobicContact CB-CD1 4.03Å; E124-L127 HydrophobicContact CB-CG 4.04Å; E124-L127 HydrophobicContact CG-CD1 4.34Å; E124-L127 PolarHBondContact O-N 3.34Å; L127-Y132 HydrophobicContact CB-CE2 4.07Å; L127-Y132 WeakPolarHBondContact CD1-OH 3.49Å
128P93.6Very high94.2Very high10 Ų1066.5 Ų66.57%0.06537%0.365CS..BIsolated β-bridgetrans-70.7148.4172.616-11.4000111.4H31 F33 L92 Q94 G130 E131H31-P128 WeakPolarHBondContact ND1-CG 3.39Å; F33-P128 HydrophobicContact CE1-CB 4.33Å; F33-P128 HydrophobicContact CE1-CG 4.5Å; L92-P128 WeakPolarHBondContact O-CB 3.49Å; Q94-P128 CarbonylContact O-C 3.52Å; Q94-P128 VanDerWaalsContact O-CA 3.27Å; Q94-P128 WeakPolarHBondContact O-CA 3.42Å; P128-G130 PolarHBondContact O-N 3.19Å; P128-G130 VanDerWaalsContact O-N 3.13Å; P128-E131 HydrophobicContact CG-CG 3.83Å; P128-E131 PolarHBondContact O-N 3Å; P128-E131 VanDerWaalsContact O-N 3.09Å
129L94.6Very high94.2Very high0 Ų067.7 Ų67.70%037%0.373CS..G310 helixtrans-56.2-30.6178.6-70.4177.4000113V90 L92 Q94 V96 L99 E131 Y132 L134V90-L129 HydrophobicContact CB-CD1 3.67Å; V90-L129 HydrophobicContact CG1-CD1 4.04Å; V90-L129 HydrophobicContact CG2-CD1 3.88Å; L92-L129 PolarHBondContact O-N 2.97Å; Q94-L129 HydrophobicContact CB-CD1 4.33Å; Q94-L129 WeakPolarHBondContact O-CG 3.36Å; Q94-L129 PolarHBondContact O-N 3.04Å; V96-L129 HydrophobicContact CG2-CD2 4.03Å; L99-L129 HydrophobicContact CB-CD1 4.35Å; L99-L129 HydrophobicContact CB-CD2 4.2Å; L99-L129 HydrophobicContact CD2-CD1 4.42Å; L99-L129 HydrophobicContact CD2-CD2 3.7Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.31Å; L129-Y132 PolarHBondContact O-N 3.03Å; L129-L134 HydrophobicContact CB-CD1 4.01Å; L129-L134 HydrophobicContact CD2-CD1 3.92Å; L129-L134 HydrophobicContact CG-CD1 4.4Å
130G91.5Very high94.3Very high6 Ų660.5 Ų60.56%0.06234%0.34CS..G310 helixtrans-62.4-27.3177.200000115.2L92 P128 Y132 G133L92-G130 PolarHBondContact O-N 3.36Å; P128-G130 PolarHBondContact O-N 3.19Å; P128-G130 VanDerWaalsContact O-N 3.13Å; G130-Y132 PolarHBondContact O-N 3Å; G130-G133 PolarHBondContact O-N 3.15Å; G130-G133 VanDerWaalsContact O-N 3.13Å
131E90.8Very high94.5Very high82 Ų8260.9 Ų60.938%0.38332%0.32SS..G310 helixtrans-67.2-23.6178.5-64.8-60.7139.600112.1P128 L129 G133P128-E131 HydrophobicContact CG-CG 3.83Å; P128-E131 PolarHBondContact O-N 3Å; P128-E131 VanDerWaalsContact O-N 3.09Å; L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 PolarHBondContact O-N 3.31Å; E131-G133 VanDerWaalsContact C-N 3.32Å
132Y92.8Very high94.6Very high35 Ų3555.2 Ų55.214%0.13730%0.296CS..G310 helixtrans-87.7-1.3178.1-60.4-79.1000113.4V96 F118 L123 E124 L127 L129 G130 L134V96-Y132 HydrophobicContact CG2-CD2 4.32Å; V96-Y132 HydrophobicContact CG2-CE2 3.69Å; F118-Y132 WeakPolarHBondContact CD1-O 3.4Å; F118-Y132 WeakPolarHBondContact CE1-O 3.22Å; L123-Y132 HydrophobicContact CB-CE2 4.35Å; L123-Y132 HydrophobicContact CD2-CD1 3.24Å; L123-Y132 HydrophobicContact CD2-CD2 3.73Å; L123-Y132 HydrophobicContact CD2-CE1 3.44Å; L123-Y132 VanDerWaalsContact CD2-CE1 3.44Å; L123-Y132 HydrophobicContact CD2-CE2 3.9Å; L123-Y132 HydrophobicContact CD2-CG 3.39Å; E124-Y132 WeakPolarHBondContact CB-OH 3.38Å; E124-Y132 PolarHBondContact N-OH 3.17Å; L127-Y132 HydrophobicContact CB-CE2 4.07Å; L127-Y132 WeakPolarHBondContact CD1-OH 3.49Å; L129-Y132 PolarHBondContact O-N 3.03Å; G130-Y132 PolarHBondContact O-N 3Å; Y132-L134 VanDerWaalsContact C-N 3.3Å; Y132-L134 PolarHBondContact O-N 3.32Å
133G90.6Very high94.4Very high44 Ų4455.4 Ų55.445%0.45429%0.293SS..THydrogen-bonded Turntrans65.831.4179.200000113.6G130 E131G130-G133 PolarHBondContact O-N 3.15Å; G130-G133 VanDerWaalsContact O-N 3.13Å; E131-G133 VanDerWaalsContact C-N 3.32Å
134L92.8Very high94.3Very high8 Ų857.7 Ų57.74%0.04231%0.305CS..  trans-58.1141175.9-64.9-177000111.1I76 L92 F118 L129 Y132 V140I76-L134 HydrophobicContact CD1-CD1 4.32Å; L92-L134 HydrophobicContact CD2-CB 4.13Å; F118-L134 HydrophobicContact CB-CD2 4.36Å; F118-L134 HydrophobicContact CD1-CD2 3.71Å; F118-L134 HydrophobicContact CD2-CD2 3.71Å; F118-L134 HydrophobicContact CE1-CD2 3.87Å; F118-L134 HydrophobicContact CE2-CD2 3.89Å; F118-L134 HydrophobicContact CG-CD2 3.64Å; F118-L134 HydrophobicContact CZ-CD2 3.97Å; L129-L134 HydrophobicContact CB-CD1 4.01Å; L129-L134 HydrophobicContact CD2-CD1 3.92Å; L129-L134 HydrophobicContact CG-CD1 4.4Å; Y132-L134 VanDerWaalsContact C-N 3.3Å; Y132-L134 PolarHBondContact O-N 3.32Å; L134-V140 HydrophobicContact CD1-CG2 4.45Å; L134-V140 HydrophobicContact CD2-CG2 3.97Å
135K91.9Very high94.2Very high145 Ų14555.6 Ų55.663%0.6330%0.297SS*.  trans-124.4165.6180-66.7-179.6-174.6174.90109.6L137 S138K135-L137 PolarHBondContact O-N 3Å; K135-S138 PolarHBondContact N-OG 2.84Å; K135-S138 VanDerWaalsContact O-CB 3.25Å; K135-S138 WeakPolarHBondContact O-CB 3.41Å; K135-S138 PolarHBondContact O-N 2.75Å; K135-S138 PolarHBondContact O-OG 3.3Å
136P93.6Very high94.1Very high103 Ų10355.2 Ų55.267%0.66929%0.294SS*.THydrogen-bonded Turntrans-51.2129.6169.8-2735.9000110.7S138P136-S138 PolarHBondContact O-N 2.81Å
137L94.8Very high94.1Very high118 Ų11850.4 Ų50.462%0.61827%0.274SS*.THydrogen-bonded Turntrans65.814.9-178.6-49.4174.7000115.4S75 K135 T139S75-L137 PolarHBondContact O-N 3Å; K135-L137 PolarHBondContact O-N 3Å; L137-T139 PolarHBondContact O-N 2.96Å
138S96.2Very high94.1Very high17 Ų1749.9 Ų49.912%0.11927%0.273CS..  trans-54.8138.7166.6-81.80000110.7L77 K135 P136L77-S138 PolarHBondContact N-O 2.93Å; K135-S138 PolarHBondContact N-OG 2.84Å; K135-S138 VanDerWaalsContact O-CB 3.25Å; K135-S138 WeakPolarHBondContact O-CB 3.41Å; K135-S138 PolarHBondContact O-N 2.75Å; K135-S138 PolarHBondContact O-OG 3.3Å; P136-S138 PolarHBondContact O-N 2.81Å
139T97.4Very high94.1Very high41 Ų4152.6 Ų52.625%0.25229%0.286SS..EExtended strand (participates in β ladder)trans-100.8114.3177.1-57.40000110.8L77 R79 F118 L137 F141L77-T139 CarbonylContact O-C 3.55Å; L77-T139 WeakPolarHBondContact O-CA 3.19Å; R79-T139 HydrophobicContact CB-CG2 4.17Å; F118-T139 WeakPolarHBondContact CD2-O 3.43Å; L137-T139 PolarHBondContact O-N 2.96Å; T139-F141 HydrophobicContact CG2-CE1 4.47Å; T139-F141 HydrophobicContact CG2-CE2 4.12Å; T139-F141 HydrophobicContact CG2-CZ 4.06Å
140V97.8Very high94.1Very high0 Ų056.4 Ų56.40%031%0.307CS..EExtended strand (participates in β ladder)trans-94.4141.1169.81790000108.5I76 L77 V78 R79 L116 T117 F118 L123 L134I76-V140 HydrophobicContact CD1-CG2 4.26Å; L77-V140 PolarHBondContact O-N 3.22Å; V78-V140 CarbonylContact C-O 3.57Å; V78-V140 WeakPolarHBondContact CA-O 3.45Å; V78-V140 HydrophobicContact CG2-CB 4.28Å; R79-V140 PolarHBondContact N-O 2.97Å; L116-V140 HydrophobicContact CB-CG1 3.78Å; L116-V140 HydrophobicContact CD1-CG1 4.34Å; L116-V140 HydrophobicContact CD2-CG1 4.09Å; L116-V140 HydrophobicContact CG-CG1 4.29Å; T117-V140 CarbonylContact O-C 3.56Å; T117-V140 WeakPolarHBondContact O-CA 3.39Å; T117-V140 WeakPolarHBondContact O-CG1 3.42Å; F118-V140 HydrophobicContact CD2-CG2 4.37Å; L123-V140 HydrophobicContact CD1-CG1 3.95Å; L134-V140 HydrophobicContact CD1-CG2 4.45Å; L134-V140 HydrophobicContact CD2-CG2 3.97Å
141F97.5Very high94.3Very high83 Ų8360.2 Ų60.236%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-105130.1179-64.4-95.4000110.2R79 L116 T117 T139 N143R79-F141 HydrophobicContact CB-CD1 4.17Å; R79-F141 HydrophobicContact CB-CE1 4.44Å; R79-F141 HydrophobicContact CG-CD1 4.47Å; L116-F141 CarbonylContact C-O 3.53Å; L116-F141 WeakPolarHBondContact CA-O 3.48Å; T117-F141 PolarHBondContact N-O 3.34Å; T117-F141 PolarHBondContact O-N 3.41Å; T139-F141 HydrophobicContact CG2-CE1 4.47Å; T139-F141 HydrophobicContact CG2-CE2 4.12Å; T139-F141 HydrophobicContact CG2-CZ 4.06Å; F141-N143 PolarHBondContact O-ND2 3.29Å
142M96.4Very high94.6Very high15 Ų1558.4 Ų58.47%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-89.4122.4168.1173.8-168.4-178.500108.1V78 R79 N80 V103 E107 V109 F114 L116V78-M142 HydrophobicContact CG1-CB 4.2Å; R79-M142 PolarHBondContact O-N 2.78Å; N80-M142 HydrophobicContact CB-SD 4.14Å; V103-M142 HydrophobicContact CG1-SD 3.98Å; E107-M142 HydrophobicContact CG-SD 4.17Å; V109-M142 HydrophobicContact CB-CE 4.07Å; V109-M142 HydrophobicContact CG1-CE 4.22Å; V109-M142 HydrophobicContact CG2-CE 4.12Å; F114-M142 HydrophobicContact CB-CE 3.76Å; F114-M142 HydrophobicContact CB-CG 4.05Å; F114-M142 HydrophobicContact CD1-CE 3.71Å; F114-M142 HydrophobicContact CD2-CE 4.11Å; F114-M142 HydrophobicContact CD2-CG 3.74Å; F114-M142 HydrophobicContact CD2-SD 4.49Å; F114-M142 HydrophobicContact CE1-CE 4.26Å; F114-M142 HydrophobicContact CE2-CG 4.43Å; F114-M142 HydrophobicContact CG-CE 3.61Å; F114-M142 HydrophobicContact CG-CG 4.03Å; L116-M142 HydrophobicContact CD2-CB 4.09Å
143N93.4Very high94.8Very high92 Ų9260.5 Ų60.549%0.49234%0.338SS..  trans-114.70-179.7-56.4-92.6000110.4F114 W115 T117 F141F114-N143 WeakPolarHBondContact CA-O 3.32Å; F114-N143 WeakPolarHBondContact CB-O 3.36Å; W115-N143 HydrophobicContact CD2-CB 4.09Å; W115-N143 VanDerWaalsContact CE2-CB 3.5Å; W115-N143 HydrophobicContact CH2-CB 4.26Å; W115-N143 HydrophobicContact CZ2-CB 3.61Å; W115-N143 PolarHBondContact N-O 3.3Å; W115-N143 VanDerWaalsContact N-O 3.13Å; W115-N143 PolarHBondContact O-N 3.24Å; T117-N143 VanDerWaalsContact CG2-ND2 3.34Å; T117-N143 WeakPolarHBondContact CG2-ND2 3.12Å; T117-N143 PolarHBondContact OG1-ND2 3.43Å; F141-N143 PolarHBondContact O-ND2 3.29Å

Retrieved 143 of 143 residues in 147.5 ms (Link to these results)

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