A0A087XSG1_POEFO Loading...

FAM3 metabolism regulating signaling molecule C

AlphaFold DB , UniProt , Accession A0A087XSG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1M46.3Very low64.2Low239 Ų239127.1 Ų127.1100%1.17767%0.672SS**  088.30-95.4177174.900109.2R3M1-R3 PolarHBondContact O-N 3.49Å
2F46.1Very low65.8Low197 Ų197121.5 Ų121.586%0.86466%0.657SS**  trans-73.3110.4169-82.9-87.4000107.5A4F2-A4 PolarHBondContact O-N 3.03Å
3R54.7Low67.4Low219 Ų219121.5 Ų121.583%0.82666%0.655SS**  trans-55.1126.3-178.4-79.6177.2163.7171.8-5.2109M1 S5 G6M1-R3 PolarHBondContact O-N 3.49Å; R3-S5 PolarHBondContact O-N 2.9Å; R3-G6 PolarHBondContact O-N 2.65Å
4A57.8Low68.9Low81 Ų81119.4 Ų119.467%0.66964%0.643SS**Hα-helixtrans-49.6-28-178.800000113.9F2 G6 I7 L8F2-A4 PolarHBondContact O-N 3.03Å; A4-G6 VanDerWaalsContact C-N 3.33Å; A4-G6 PolarHBondContact O-N 2.8Å; A4-I7 PolarHBondContact O-N 2.81Å; A4-L8 PolarHBondContact O-N 3.31Å; A4-L8 VanDerWaalsContact O-N 3.14Å
5S57.9Low70.2Confident73 Ų73118.9 Ų118.951%0.5164%0.639SS.*Hα-helixtrans-61.4-34.3173-174.10000113.9R3 K9R3-S5 PolarHBondContact O-N 2.9Å; S5-K9 VanDerWaalsContact O-CG 3.3Å; S5-K9 WeakPolarHBondContact O-CG 3.41Å; S5-K9 PolarHBondContact O-N 3.25Å; S5-K9 VanDerWaalsContact O-N 3.15Å
6G64.2Low71.4Confident45 Ų45115 Ų11546%0.46463%0.628SS.*Hα-helixtrans-72.5-37.2178.100000113R3 A4 K9 L10R3-G6 PolarHBondContact O-N 2.65Å; A4-G6 VanDerWaalsContact C-N 3.33Å; A4-G6 PolarHBondContact O-N 2.8Å; G6-K9 PolarHBondContact O-N 3.38Å; G6-L10 WeakPolarHBondContact O-CB 3.42Å; G6-L10 PolarHBondContact O-N 2.82Å
7I71.7Confident72.5Confident107 Ų107116.5 Ų116.555%0.54963%0.627SS.*Hα-helixtrans-68.7-41.3177.4-60.6172.9000110A4 L10 A11A4-I7 PolarHBondContact O-N 2.81Å; I7-L10 PolarHBondContact O-N 2.87Å; I7-A11 WeakPolarHBondContact O-CB 3.39Å; I7-A11 PolarHBondContact O-N 3.5Å
8L73.1Confident73.3Confident135 Ų135115.7 Ų115.771%0.70762%0.622SS**Hα-helixtrans-65.4-40177.7-151.782.8000112.1A4 A11 A12A4-L8 PolarHBondContact O-N 3.31Å; A4-L8 VanDerWaalsContact O-N 3.14Å; L8-A11 PolarHBondContact O-N 3.27Å; L8-A12 WeakPolarHBondContact O-CB 3.43Å; L8-A12 PolarHBondContact O-N 3.24Å
9K73.9Confident74.1Confident141 Ų141114.6 Ų114.661%0.61362%0.615SS**Hα-helixtrans-65.9-40.2174.9-75179.8179.5-171.50112S5 G6 A12 L13S5-K9 VanDerWaalsContact O-CG 3.3Å; S5-K9 WeakPolarHBondContact O-CG 3.41Å; S5-K9 PolarHBondContact O-N 3.25Å; S5-K9 VanDerWaalsContact O-N 3.15Å; G6-K9 PolarHBondContact O-N 3.38Å; K9-A12 PolarHBondContact O-N 2.93Å; K9-L13 WeakPolarHBondContact O-CB 3.34Å; K9-L13 VanDerWaalsContact O-CG 3.3Å; K9-L13 WeakPolarHBondContact O-CG 3.48Å; K9-L13 PolarHBondContact O-N 3.05Å
10L77.7Confident74.8Confident106 Ų106111.8 Ų111.856%0.55561%0.609SS**Hα-helixtrans-66-43176.7-170.766.4000111.3G6 I7 L13 I14G6-L10 WeakPolarHBondContact O-CB 3.42Å; G6-L10 PolarHBondContact O-N 2.82Å; I7-L10 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 2.96Å; L10-I14 HydrophobicContact CG-CD1 4.11Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3Å; L10-I14 PolarHBondContact O-N 3.24Å
11A82.9Confident75.2Confident55 Ų55108.9 Ų108.946%0.45559%0.594SS.*Hα-helixtrans-62.6-42.4175.600000112.1I7 L8 L13 I14 L15I7-A11 WeakPolarHBondContact O-CB 3.39Å; I7-A11 PolarHBondContact O-N 3.5Å; L8-A11 PolarHBondContact O-N 3.27Å; A11-L13 PolarHBondContact O-N 3.17Å; A11-I14 PolarHBondContact O-N 3.21Å; A11-L15 WeakPolarHBondContact O-CB 3.23Å; A11-L15 PolarHBondContact O-N 2.8Å
12A83.4Confident77Confident60 Ų60103.1 Ų103.150%0.49656%0.563SS.*Hα-helixtrans-64.1-3917600000112.3L8 K9 L15 A16L8-A12 WeakPolarHBondContact O-CB 3.43Å; L8-A12 PolarHBondContact O-N 3.24Å; K9-A12 PolarHBondContact O-N 2.93Å; A12-L15 PolarHBondContact O-N 2.87Å; A12-A16 WeakPolarHBondContact O-CB 3.47Å; A12-A16 PolarHBondContact O-N 3.22Å
13L86.8Confident78.7Confident121 Ų12198.6 Ų98.663%0.63455%0.547SS*.Hα-helixtrans-66.2-41.5175.5-75.7169.3000112.2K9 L10 A11 A16 F17K9-L13 WeakPolarHBondContact O-CB 3.34Å; K9-L13 VanDerWaalsContact O-CG 3.3Å; K9-L13 WeakPolarHBondContact O-CG 3.48Å; K9-L13 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 2.96Å; A11-L13 PolarHBondContact O-N 3.17Å; L13-A16 PolarHBondContact O-N 3.09Å; L13-F17 WeakPolarHBondContact O-CB 3.5Å; L13-F17 PolarHBondContact O-N 3.45Å
14I87.8Confident79.9Confident93 Ų9390.3 Ų90.348%0.47753%0.525SS..Hα-helixtrans-64-44.8176.1-67.6164.7000110.2L10 A11 A16 F17 L18L10-I14 HydrophobicContact CG-CD1 4.11Å; L10-I14 VanDerWaalsContact O-CG1 3.27Å; L10-I14 WeakPolarHBondContact O-CG1 3Å; L10-I14 PolarHBondContact O-N 3.24Å; A11-I14 PolarHBondContact O-N 3.21Å; I14-A16 PolarHBondContact O-N 3.38Å; I14-F17 PolarHBondContact O-N 3.23Å; I14-L18 HydrophobicContact CG2-CD1 3.98Å; I14-L18 HydrophobicContact CG2-CG 4.37Å; I14-L18 VanDerWaalsContact O-CG 3.32Å; I14-L18 WeakPolarHBondContact O-CG 3.33Å; I14-L18 PolarHBondContact O-N 3.47Å
15L88.3Confident80.6Confident112 Ų11292.4 Ų92.459%0.58652%0.52SS*.Hα-helixtrans-64.1-42.6179.3-168.871.8000111.7A11 A12 F17 L18 L19A11-L15 WeakPolarHBondContact O-CB 3.23Å; A11-L15 PolarHBondContact O-N 2.8Å; A12-L15 PolarHBondContact O-N 2.87Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 3.26Å; L15-L18 PolarHBondContact O-N 3.5Å; L15-L19 HydrophobicContact CG-CD1 4.48Å; L15-L19 WeakPolarHBondContact O-CB 2.95Å; L15-L19 PolarHBondContact O-N 2.8Å
16A89.1Confident81.3Confident56 Ų5693 Ų9346%0.46352%0.515SS..Hα-helixtrans-63.4-39.3175.700000111.9A12 L13 I14 L19 A20A12-A16 WeakPolarHBondContact O-CB 3.47Å; A12-A16 PolarHBondContact O-N 3.22Å; L13-A16 PolarHBondContact O-N 3.09Å; I14-A16 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 3.27Å; A16-A20 WeakPolarHBondContact O-CB 3.34Å; A16-A20 PolarHBondContact O-N 3.45Å
17F90.1Very high81.6Confident141 Ų14196.7 Ų96.762%0.61852%0.523SS*.Hα-helixtrans-64.6-45.6175.1-178.7-100000111.8L13 I14 L15 L19 A20 V21L13-F17 WeakPolarHBondContact O-CB 3.5Å; L13-F17 PolarHBondContact O-N 3.45Å; I14-F17 PolarHBondContact O-N 3.23Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 3.26Å; F17-L19 VanDerWaalsContact C-N 3.35Å; F17-L19 PolarHBondContact O-N 3.37Å; F17-A20 PolarHBondContact O-N 3.02Å; F17-V21 HydrophobicContact CD1-CG2 4.22Å; F17-V21 HydrophobicContact CE1-CG2 3.86Å; F17-V21 HydrophobicContact CE2-CG2 4.25Å; F17-V21 HydrophobicContact CZ-CG2 3.87Å; F17-V21 WeakPolarHBondContact O-CB 3.43Å; F17-V21 VanDerWaalsContact O-CG2 3.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 3.16Å
18L87.4Confident81.2Confident101 Ų10196.4 Ų96.453%0.52952%0.522SS..Hα-helixtrans-63.2-39.9177.3-69.5173.1000112.1I14 L15 V21 F22I14-L18 HydrophobicContact CG2-CD1 3.98Å; I14-L18 HydrophobicContact CG2-CG 4.37Å; I14-L18 VanDerWaalsContact O-CG 3.32Å; I14-L18 WeakPolarHBondContact O-CG 3.33Å; I14-L18 PolarHBondContact O-N 3.47Å; L15-L18 PolarHBondContact O-N 3.5Å; L18-V21 PolarHBondContact O-N 2.96Å; L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 3.39Å
19L88.6Confident80.2Confident95 Ų9596.1 Ų96.150%0.49752%0.517SS..Hα-helixtrans-63.7-43.4173.7-99.9155000112.2L15 A16 F17 V21 F22 L23L15-L19 HydrophobicContact CG-CD1 4.48Å; L15-L19 WeakPolarHBondContact O-CB 2.95Å; L15-L19 PolarHBondContact O-N 2.8Å; A16-L19 PolarHBondContact O-N 3.27Å; F17-L19 VanDerWaalsContact C-N 3.35Å; F17-L19 PolarHBondContact O-N 3.37Å; L19-V21 VanDerWaalsContact C-N 3.35Å; L19-F22 PolarHBondContact O-N 3.35Å; L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 3.08Å
20A88.3Confident79.3Confident59 Ų5995.6 Ų95.649%0.48852%0.52SS..Hα-helixtrans-63.9-4117700000111.8A16 F17 A24A16-A20 WeakPolarHBondContact O-CB 3.34Å; A16-A20 PolarHBondContact O-N 3.45Å; F17-A20 PolarHBondContact O-N 3.02Å; A20-A24 VanDerWaalsContact O-CB 3.3Å; A20-A24 WeakPolarHBondContact O-CB 3.2Å; A20-A24 PolarHBondContact O-N 2.63Å
21V83.9Confident77.9Confident50 Ų5096.7 Ų96.730%0.30353%0.526SS..Hα-helixtrans-65.7-44.8175.5171.40000110.9F17 L18 L19 L23 A24 F25F17-V21 HydrophobicContact CD1-CG2 4.22Å; F17-V21 HydrophobicContact CE1-CG2 3.86Å; F17-V21 HydrophobicContact CE2-CG2 4.25Å; F17-V21 HydrophobicContact CZ-CG2 3.87Å; F17-V21 WeakPolarHBondContact O-CB 3.43Å; F17-V21 VanDerWaalsContact O-CG2 3.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.48Å; F17-V21 PolarHBondContact O-N 3.16Å; L18-V21 PolarHBondContact O-N 2.96Å; L19-V21 VanDerWaalsContact C-N 3.35Å; V21-L23 PolarHBondContact O-N 3.03Å; V21-A24 PolarHBondContact O-N 2.92Å; V21-F25 HydrophobicContact CG1-CD2 3.59Å; V21-F25 HydrophobicContact CG1-CE2 3.44Å; V21-F25 VanDerWaalsContact CG1-CE2 3.44Å; V21-F25 WeakPolarHBondContact O-CD2 3.28Å; V21-F25 PolarHBondContact O-N 3.18Å
22F83.3Confident76.3Confident119 Ų11998.2 Ų98.252%0.52253%0.53SS..Hα-helixtrans-61-44.8176.6179.1-99.6000112.2L18 L19 A24 F25 Q26L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 3.39Å; L19-F22 PolarHBondContact O-N 3.35Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.24Å; F22-F25 PolarHBondContact O-N 3.08Å; F22-Q26 HydrophobicContact CD1-CG 4.32Å; F22-Q26 HydrophobicContact CE1-CG 3.96Å; F22-Q26 HydrophobicContact CE2-CG 4.5Å; F22-Q26 HydrophobicContact CZ-CG 4.07Å; F22-Q26 WeakPolarHBondContact O-CG 3.41Å; F22-Q26 PolarHBondContact O-N 3.23Å
23L82.1Confident74.6Confident101 Ų101103.9 Ų103.953%0.52955%0.546SS..Hα-helixtrans-65.5-36.3175.4-70.9170.8000112.1L19 V21 Q26 L27L19-L23 WeakPolarHBondContact O-CB 3.48Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 3.08Å; V21-L23 PolarHBondContact O-N 3.03Å; L23-Q26 PolarHBondContact O-N 3Å; L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 WeakPolarHBondContact O-CG 3.21Å; L23-L27 PolarHBondContact O-N 2.86Å
24A80.1Confident72.8Confident45 Ų45107.3 Ų107.337%0.37256%0.556SS.*Hα-helixtrans-65.8-40174.100000112A20 V21 F22 L27 L28A20-A24 VanDerWaalsContact O-CB 3.3Å; A20-A24 WeakPolarHBondContact O-CB 3.2Å; A20-A24 PolarHBondContact O-N 2.63Å; V21-A24 PolarHBondContact O-N 2.92Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.24Å; A24-L27 PolarHBondContact O-N 3.08Å; A24-L28 VanDerWaalsContact O-CB 3.32Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 PolarHBondContact O-N 3.38Å
25F72.5Confident70.8Confident125 Ų125110.9 Ų110.955%0.54857%0.568SS.*Hα-helixtrans-65.2-43.5174-84.7-69.1000112.1V21 F22 L27 L28 E29V21-F25 HydrophobicContact CG1-CD2 3.59Å; V21-F25 HydrophobicContact CG1-CE2 3.44Å; V21-F25 VanDerWaalsContact CG1-CE2 3.44Å; V21-F25 WeakPolarHBondContact O-CD2 3.28Å; V21-F25 PolarHBondContact O-N 3.18Å; F22-F25 PolarHBondContact O-N 3.08Å; F25-L27 VanDerWaalsContact C-N 3.32Å; F25-L27 PolarHBondContact O-N 3.29Å; F25-L28 PolarHBondContact O-N 3.41Å; F25-E29 PolarHBondContact O-N 2.84Å
26Q73.1Confident68.7Low86 Ų86113.1 Ų113.140%0.40258%0.58SS.*Hα-helixtrans-61.4-38.6174.5-71.1-75.1-1.300112.2F22 L23 I30F22-Q26 HydrophobicContact CD1-CG 4.32Å; F22-Q26 HydrophobicContact CE1-CG 3.96Å; F22-Q26 HydrophobicContact CE2-CG 4.5Å; F22-Q26 HydrophobicContact CZ-CG 4.07Å; F22-Q26 WeakPolarHBondContact O-CG 3.41Å; F22-Q26 PolarHBondContact O-N 3.23Å; L23-Q26 PolarHBondContact O-N 3Å; Q26-I30 WeakPolarHBondContact O-CD1 3.45Å; Q26-I30 VanDerWaalsContact O-CG1 3.31Å; Q26-I30 WeakPolarHBondContact O-CG1 3.48Å
27L69Low66.6Low122 Ų122114.5 Ų114.564%0.63960%0.6SS**Hα-helixtrans-72.8-31.1175.4-75.1171.8000113.3L23 A24 F25L23-L27 WeakPolarHBondContact O-CB 3.48Å; L23-L27 WeakPolarHBondContact O-CG 3.21Å; L23-L27 PolarHBondContact O-N 2.86Å; A24-L27 PolarHBondContact O-N 3.08Å; F25-L27 VanDerWaalsContact C-N 3.32Å; F25-L27 PolarHBondContact O-N 3.29Å
28L63.2Low64.7Low102 Ų102112 Ų11253%0.53460%0.6SS.*Hα-helixtrans-74.1-42.4175.5-89.3157000111.6A24 F25 I30 N31 V32A24-L28 VanDerWaalsContact O-CB 3.32Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 PolarHBondContact O-N 3.38Å; F25-L28 PolarHBondContact O-N 3.41Å; L28-I30 VanDerWaalsContact C-N 3.26Å; L28-I30 PolarHBondContact O-N 2.82Å; L28-N31 PolarHBondContact O-N 3.48Å; L28-V32 WeakPolarHBondContact O-CG2 3.26Å; L28-V32 PolarHBondContact O-N 2.83Å; L28-V32 VanDerWaalsContact O-N 3.13Å
29E53.7Low62.6Low128 Ų128115.8 Ų115.860%0.59862%0.617SS**Hα-helixtrans-60.4-33.3179.8-81.2-176.8161.300112.5F25 N31F25-E29 PolarHBondContact O-N 2.84Å; E29-N31 VanDerWaalsContact C-N 3.27Å; E29-N31 PolarHBondContact O-N 2.68Å
30I53.9Low60.8Low130 Ų130120 Ų12067%0.66764%0.636SS**Hα-helixtrans-68-22.9176.7-59.5163.3000112.6Q26 L28Q26-I30 WeakPolarHBondContact O-CD1 3.45Å; Q26-I30 VanDerWaalsContact O-CG1 3.31Å; Q26-I30 WeakPolarHBondContact O-CG1 3.48Å; L28-I30 VanDerWaalsContact C-N 3.26Å; L28-I30 PolarHBondContact O-N 2.82Å
31N49.1Very low58.8Low130 Ų130123.1 Ų123.170%0.69565%0.654SS**Hα-helixtrans-103.6-13.2-179.5-94.2-37000114.8L28 E29L28-N31 PolarHBondContact O-N 3.48Å; E29-N31 VanDerWaalsContact C-N 3.27Å; E29-N31 PolarHBondContact O-N 2.68Å
32V49Very low57Low87 Ų87132.4 Ų132.453%0.52768%0.684SS.*Hα-helixtrans-87.2-17.8-176.9-172.30000111.6L28 F34L28-V32 WeakPolarHBondContact O-CG2 3.26Å; L28-V32 PolarHBondContact O-N 2.83Å; L28-V32 VanDerWaalsContact O-N 3.13Å; V32-F34 VanDerWaalsContact C-N 3.3Å; V32-F34 PolarHBondContact O-N 2.93Å
33E48Very low55.3Low178 Ų178132 Ų13283%0.83270%0.696SS**THydrogen-bonded Turntrans-81.91.9178-151.4160.2-163.900114.3
34F49.1Very low53.2Low193 Ų193135.3 Ų135.385%0.84671%0.713SS**THydrogen-bonded Turntrans-129.511.1-178.2-133.9-93.8000117.2V32V32-F34 VanDerWaalsContact C-N 3.3Å; V32-F34 PolarHBondContact O-N 2.93Å
35K45.1Very low51.4Low169 Ų169139 Ų13974%0.73573%0.733SS**SBendtrans-153.624.1179.2-127.3-179.9-175.4-176.10118.9
36L44.1Very low50.1Low158 Ų158137.9 Ų137.983%0.82775%0.747SS**SBendtrans-90.7-9.1172.4-158.660.4000114
37G45.8Very low49Very low86 Ų86141.4 Ų141.489%0.88777%0.769SS**SBendtrans-82.9-817700000115.9
38S50.2Low47.7Very low89 Ų89143.5 Ų143.562%0.62278%0.775SS**SBendtrans-110.713.6-167.8102.30000116
39M43Very low46.7Very low179 Ų179142.7 Ų142.788%0.88278%0.783SS**SBendtrans-13321.9-174.7-135.3178.8-165.800116.5
40M51.3Low46.1Very low185 Ų185145 Ų14591%0.91179%0.794SS**  trans-132.378.7159.6-84.9-169.7179.500110.2
41S44.3Very low45.6Very low123 Ų123144.5 Ų144.586%0.8680%0.797SS**  trans-155.573.3163-85.70000110.4
42R47.8Very low45.8Very low246 Ų246147.3 Ų147.393%0.92880%0.803SS**  trans-140.2110.9151.9-78-177.4172-167.9-2.8102.1
43S45.9Very low46.3Very low110 Ų110148.5 Ų148.577%0.76981%0.812SS**  cis-172.8121.638.141.40000108.2
44L38.3Very low47Very low170 Ų170143.2 Ų143.289%0.8980%0.799SS**  trans-148.6147.1164-79.9177000108.4
45P42.4Very low48.6Very low122 Ų122140.2 Ų140.279%0.79280%0.797SS**  trans-68.2143.2-164.228.6-34.1000111.9N47P45-N47 PolarHBondContact O-N 2.8Å
46A46.2Very low51Low102 Ų102134.7 Ų134.784%0.84377%0.773SS**SBendtrans-60.997.6177.300000111.3
47N49.4Very low53.4Low160 Ų160131.5 Ų131.586%0.85675%0.752SS**  trans-170.358.7150-110.5-3.7000111.2P45P45-N47 PolarHBondContact O-N 2.8Å
48E40.8Very low55.8Low166 Ų166128.2 Ų128.278%0.77672%0.716SS**  trans-124.1100.7152.6-74.8-167.9171.900106.8H50E48-H50 VanDerWaalsContact C-N 3.27Å; E48-H50 PolarHBondContact O-N 2.92Å
49A42.8Very low57.9Low85 Ų85126 Ų12670%0.70271%0.707SS**  trans-55.5105155.600000105.8T51A49-T51 PolarHBondContact O-N 2.8Å; A49-T51 PolarHBondContact O-OG1 3.42Å
50H41.1Very low60.4Low177 Ų177118 Ų11882%0.81967%0.668SS**  trans-62.677.8155.7-81.1-62.5000106.6E48 K52E48-H50 VanDerWaalsContact C-N 3.27Å; E48-H50 PolarHBondContact O-N 2.92Å; H50-K52 VanDerWaalsContact C-N 3.28Å; H50-K52 PolarHBondContact O-N 2.88Å
51T42.9Very low62.4Low120 Ų120113.4 Ų113.474%0.73665%0.654SS**  trans-60101.4158.826.30000104.7A49A49-T51 PolarHBondContact O-N 2.8Å; A49-T51 PolarHBondContact O-OG1 3.42Å
52K54.5Low64.7Low189 Ų189115.1 Ų115.182%0.82265%0.646SS**  trans-41.2123.4153.7-79.2-179.6175.9178.70105.3H50 A54H50-K52 VanDerWaalsContact C-N 3.28Å; H50-K52 PolarHBondContact O-N 2.88Å; K52-A54 PolarHBondContact O-N 3.02Å
53P59Low67Low111 Ų111106.6 Ų106.672%0.72163%0.628SS**  trans-48.6125177.8-24.932.6000106.6V55P53-V55 PolarHBondContact O-N 3.31Å
54A62.3Low69.4Low67 Ų67103 Ų10355%0.55460%0.602SS**  trans-54.8111.6177.800000106.1K52 H56K52-A54 PolarHBondContact O-N 3.02Å; A54-H56 VanDerWaalsContact C-N 3.32Å; A54-H56 PolarHBondContact O-CD2 3.28Å; A54-H56 VanDerWaalsContact O-CD2 3.31Å; A54-H56 PolarHBondContact O-N 2.81Å
55V84.1Confident72.2Confident131 Ų13198 Ų9879%0.79458%0.58SS**  trans-71.798.5-176.2-178.30000105.8P53P53-V55 PolarHBondContact O-N 3.31Å
56H93.7Very high74.7Confident52 Ų5298.3 Ų98.324%0.24158%0.582CS.*  trans-72.8162.4175.5-57.6-58.6000109.8A54 C58 G59 L60 K62 A63A54-H56 VanDerWaalsContact C-N 3.32Å; A54-H56 PolarHBondContact O-CD2 3.28Å; A54-H56 VanDerWaalsContact O-CD2 3.31Å; A54-H56 PolarHBondContact O-N 2.81Å; H56-C58 PolarHBondContact O-N 2.96Å; H56-G59 WeakPolarHBondContact O-CA 3.3Å; H56-G59 PolarHBondContact O-N 3.34Å; H56-L60 HydrophobicContact CB-CB 4.02Å; H56-L60 WeakPolarHBondContact CB-O 3.4Å; H56-L60 PolarHBondContact CD2-O 2.92Å; H56-K62 WeakPolarHBondContact CD2-CA 3.39Å; H56-A63 PolarHBondContact CD2-N 3.29Å
57K95.7Very high77Confident91 Ų9195.4 Ų95.440%0.39656%0.562SS.*G310 helixtrans-50.3138.9-179.1-64-176.2171.9170.70110.9G59 L60 A70 E88 D89K57-G59 PolarHBondContact O-N 3Å; K57-G59 VanDerWaalsContact O-N 3.15Å; K57-L60 WeakPolarHBondContact O-CB 3.5Å; K57-L60 WeakPolarHBondContact O-CD1 3.05Å; K57-L60 PolarHBondContact O-N 3.41Å; K57-A70 HydrophobicContact CB-CB 3.73Å; K57-A70 HydrophobicContact CD-CB 4.46Å; K57-E88 WeakPolarHBondContact CD-OE1 3.5Å; K57-E88 IonicContact NZ-OE1 2.68Å; K57-E88 IonicContact NZ-OE2 2.63Å; K57-E88 PolarHBondContact NZ-OE2 2.99Å; K57-D89 VanDerWaalsContact CA-OD1 3.24Å; K57-D89 WeakPolarHBondContact CA-OD1 3.34Å; K57-D89 WeakPolarHBondContact CA-OD2 3.43Å; K57-D89 WeakPolarHBondContact CG-OD2 3.35Å
58C95.1Very high79.3Confident17 Ų1790.7 Ų90.712%0.11554%0.535CS..G310 helixtrans57.415.6-173.9-64.90000115.4H56 L60 K72 C86 L87 D89H56-C58 PolarHBondContact O-N 2.96Å; C58-L60 HydrophobicContact CB-CD1 3.85Å; C58-K72 HydrophobicContact CB-CB 3.83Å; C58-K72 VanDerWaalsContact O-CD 3.31Å; C58-K72 WeakPolarHBondContact O-CD 3.33Å; C58-C86 VanDerWaalsContact CA-SG 3.51Å; C58-C86 HydrophobicContact CB-CB 3.74Å; C58-C86 WeakPolarHBondContact CB-SG 3.43Å; C58-C86 WeakPolarHBondContact SG-CB 3.3Å; C58-C86 CovalentContact SG-SG 2.05Å; C58-C86 PolarHBondContact SG-SG 3.02Å; C58-L87 PolarHBondContact SG-N 2.91Å; C58-D89 PolarHBondContact N-OD1 3.09Å; C58-D89 PolarHBondContact SG-N 3.1Å; C58-D89 VanDerWaalsContact SG-N 3.41Å
59G94.8Very high82Confident42 Ų4282.8 Ų82.843%0.43350%0.498SS..G310 helixtrans71.729.3-17600000113.2H56 K57H56-G59 WeakPolarHBondContact O-CA 3.3Å; H56-G59 PolarHBondContact O-N 3.34Å; K57-G59 PolarHBondContact O-N 3Å; K57-G59 VanDerWaalsContact O-N 3.15Å
60L95.5Very high84.7Confident12 Ų1278.9 Ų78.96%0.06347%0.465CS..  trans-62.4150.4176-97.762.7000111.6H56 K57 C58 K62 A70 F71 K72 E219H56-L60 HydrophobicContact CB-CB 4.02Å; H56-L60 WeakPolarHBondContact CB-O 3.4Å; H56-L60 PolarHBondContact CD2-O 2.92Å; K57-L60 WeakPolarHBondContact O-CB 3.5Å; K57-L60 WeakPolarHBondContact O-CD1 3.05Å; K57-L60 PolarHBondContact O-N 3.41Å; C58-L60 HydrophobicContact CB-CD1 3.85Å; L60-K62 VanDerWaalsContact C-N 3.28Å; L60-K62 WeakPolarHBondContact CB-O 3.25Å; L60-K62 PolarHBondContact O-N 3.35Å; L60-A70 HydrophobicContact CD2-CB 3.85Å; L60-F71 WeakPolarHBondContact CD1-O 3.18Å; L60-K72 HydrophobicContact CD1-CB 4.12Å; L60-E219 HydrophobicContact CD1-CB 3.91Å; L60-E219 HydrophobicContact CG-CB 4Å; L60-E219 HydrophobicContact CG-CG 4.4Å
61S93.8Very high87.4Confident88 Ų8870.4 Ų70.462%0.61543%0.426SS*.SBendtrans-67.6-26.1173.757.20000113.7E219S61-E219 VanDerWaalsContact CB-OE1 3.28Å; S61-E219 WeakPolarHBondContact CB-OE1 3.32Å; S61-E219 PolarHBondContact N-OE1 3.03Å; S61-E219 PolarHBondContact OG-OE1 3.36Å
62K93.5Very high90Very high159 Ų15966.8 Ų66.869%0.69140%0.4SS*.SBendtrans-143152.8-179.5-61.6-178.6-175.3175.50111.3H56 L60H56-K62 WeakPolarHBondContact CD2-CA 3.39Å; L60-K62 VanDerWaalsContact C-N 3.28Å; L60-K62 WeakPolarHBondContact CB-O 3.25Å; L60-K62 PolarHBondContact O-N 3.35Å
63A95.4Very high92.1Very high67 Ų6757.8 Ų57.855%0.55436%0.361SS*.PPolyproline II helixtrans-68.1144.5174.200000111.9H56H56-A63 PolarHBondContact CD2-N 3.29Å
64C96.8Very high94Very high34 Ų3453.5 Ų53.523%0.2333%0.333CS..PPolyproline II helixtrans-75.5147172.7-71.60000112.2H68 A70 C221C64-H68 HydrophobicContact CB-CB 4.27Å; C64-A70 VanDerWaalsContact SG-CA 3.51Å; C64-C221 WeakPolarHBondContact CA-SG 3.27Å; C64-C221 HydrophobicContact CB-CB 3.77Å; C64-C221 WeakPolarHBondContact CB-SG 3.3Å; C64-C221 VanDerWaalsContact SG-CA 3.58Å; C64-C221 WeakPolarHBondContact SG-CB 3.32Å; C64-C221 CovalentContact SG-SG 2.03Å; C64-C221 PolarHBondContact SG-SG 2.79Å
65P96.6Very high95.7Very high65 Ų6550.4 Ų50.442%0.42231%0.308SS..PPolyproline II helixtrans-65.1161.5174.126.4-32.3000111.7H68P65-H68 HydrophobicContact CG-CB 4.32Å; P65-H68 WeakPolarHBondContact O-CB 3.47Å; P65-H68 PolarHBondContact O-N 2.91Å
66P94.8Very high96.4Very high129 Ų12944.2 Ų44.284%0.83827%0.27SS*.THydrogen-bonded Turntrans-53.2147.5174.6-25.234.6000112.3H68P66-H68 PolarHBondContact O-N 2.94Å; P66-H68 PolarHBondContact O-ND1 3.37Å
67G95.4Very high96.6Very high41 Ų4142.3 Ų42.342%0.42326%0.263SS..THydrogen-bonded Turntrans71.810.7-178.900000114.8R224G67-R224 VanDerWaalsContact O-CB 3.28Å; G67-R224 WeakPolarHBondContact O-CB 3.4Å; G67-R224 WeakPolarHBondContact O-CG 3.4Å; G67-R224 PolarHBondContact O-N 3.08Å
68H97.4Very high96.7Very high61 Ų6138.5 Ų38.528%0.28225%0.249SC..EExtended strand (participates in β ladder)trans-117.4159.5175-64.963.6000111.7C64 P65 P66 C221 V222C64-H68 HydrophobicContact CB-CB 4.27Å; P65-H68 HydrophobicContact CG-CB 4.32Å; P65-H68 WeakPolarHBondContact O-CB 3.47Å; P65-H68 PolarHBondContact O-N 2.91Å; P66-H68 PolarHBondContact O-N 2.94Å; P66-H68 PolarHBondContact O-ND1 3.37Å; H68-C221 HydrophobicContact CB-CB 3.93Å; H68-V222 CarbonylContact C-O 3.55Å; H68-V222 VanDerWaalsContact CA-O 3.27Å; H68-V222 WeakPolarHBondContact CA-O 3.48Å
69M97.3Very high96.8Very high0 Ų040.7 Ų40.70%026%0.264CS..EExtended strand (participates in β ladder)trans-113.8127.2175.2-67.6179.1-66.300110.1L87 E88 G114 I144 C221 V222 R224M69-L87 HydrophobicContact CB-CD1 4.03Å; M69-E88 WeakPolarHBondContact CA-OE1 3.21Å; M69-E88 HydrophobicContact CB-CG 3.87Å; M69-E88 HydrophobicContact CG-CG 3.94Å; M69-G114 WeakPolarHBondContact SD-CA 3.03Å; M69-I144 HydrophobicContact CE-CD1 3.16Å; M69-C221 CarbonylContact O-C 3.57Å; M69-C221 WeakPolarHBondContact O-CA 3.38Å; M69-V222 PolarHBondContact N-O 3.42Å; M69-V222 PolarHBondContact O-N 3.31Å; M69-R224 HydrophobicContact CE-CG 3.88Å; M69-R224 HydrophobicContact CG-CG 3.65Å; M69-R224 VanDerWaalsContact CG-NE 3.33Å; M69-R224 HydrophobicContact SD-CG 3.93Å
70A98.1Very high97Very high3 Ų344.5 Ų44.53%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-73.3131.5176.800000110.5K57 L60 C64 L87 E88 G220K57-A70 HydrophobicContact CB-CB 3.73Å; K57-A70 HydrophobicContact CD-CB 4.46Å; L60-A70 HydrophobicContact CD2-CB 3.85Å; C64-A70 VanDerWaalsContact SG-CA 3.51Å; A70-L87 CarbonylContact O-C 3.58Å; A70-L87 WeakPolarHBondContact O-CA 3.36Å; A70-L87 WeakPolarHBondContact O-CD1 3.39Å; A70-E88 PolarHBondContact N-OE1 2.03Å; A70-E88 PolarHBondContact O-N 2.86Å; A70-G220 WeakPolarHBondContact CA-O 3.29Å
71F98.5Very high97.1Very high0 Ų048.2 Ų48.20%030%0.302CS..EExtended strand (participates in β ladder)trans-132150.2171.678.2-87.8000111.4L60 L73 C86 L87 M146 V185 F196 M218 E219 G220 V222L60-F71 WeakPolarHBondContact CD1-O 3.18Å; F71-L73 HydrophobicContact CD2-CB 4.26Å; F71-L73 HydrophobicContact CE2-CB 4.45Å; F71-C86 CarbonylContact C-O 3.59Å; F71-C86 WeakPolarHBondContact CA-O 3.27Å; F71-C86 WeakPolarHBondContact CB-O 3.46Å; F71-L87 HydrophobicContact CB-CD1 3.77Å; F71-M146 HydrophobicContact CB-CE 3.97Å; F71-M146 HydrophobicContact CD2-CE 4.27Å; F71-M146 HydrophobicContact CG-CE 4.46Å; F71-V185 HydrophobicContact CD2-CG2 3.84Å; F71-V185 HydrophobicContact CE2-CG2 3.67Å; F71-V185 HydrophobicContact CG-CG2 4.44Å; F71-V185 HydrophobicContact CZ-CB 4.49Å; F71-V185 HydrophobicContact CZ-CG2 4.08Å; F71-F196 AromaticContact CE1-CD1 3.72Å; F71-F196 HydrophobicContact CE1-CD1 3.72Å; F71-F196 HydrophobicContact CE1-CD2 4.36Å; F71-F196 AromaticContact CE1-CE1 3.94Å; F71-F196 HydrophobicContact CE1-CE1 3.94Å; F71-F196 AromaticContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CZ 4.35Å; F71-F196 HydrophobicContact CZ-CB 3.96Å; F71-F196 AromaticContact CZ-CD1 3.57Å; F71-F196 HydrophobicContact CZ-CD1 3.57Å; F71-F196 HydrophobicContact CZ-CE1 4.21Å; F71-F196 AromaticContact CZ-CG 3.79Å; F71-F196 HydrophobicContact CZ-CG 3.79Å; F71-M218 HydrophobicContact CE2-CE 3.85Å; F71-M218 HydrophobicContact CE2-CG 4Å; F71-M218 HydrophobicContact CE2-SD 4.48Å; F71-M218 HydrophobicContact CZ-CE 4.13Å; F71-M218 HydrophobicContact CZ-CG 4.14Å; F71-M218 HydrophobicContact CZ-SD 4.39Å; F71-E219 VanDerWaalsContact O-CA 3.31Å; F71-E219 WeakPolarHBondContact O-CA 3.07Å; F71-G220 VanDerWaalsContact CD1-C 3.42Å; F71-G220 WeakPolarHBondContact CD1-O 3.49Å; F71-G220 VanDerWaalsContact CE1-CA 3.43Å; F71-G220 PolarHBondContact N-O 3.24Å; F71-G220 PolarHBondContact O-N 3.34Å; F71-V222 HydrophobicContact CD1-CG2 3.6Å; F71-V222 HydrophobicContact CE1-CG2 3.75Å
72K98.6Very high97.3Very high43 Ų4344.7 Ų44.719%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-135.6130.4167.4-171.3162.3-174.11400109.5C58 L60 C86 E217 M218 E219C58-K72 HydrophobicContact CB-CB 3.83Å; C58-K72 VanDerWaalsContact O-CD 3.31Å; C58-K72 WeakPolarHBondContact O-CD 3.33Å; L60-K72 HydrophobicContact CD1-CB 4.12Å; K72-C86 PolarHBondContact N-O 2.96Å; K72-C86 PolarHBondContact O-N 2.9Å; K72-E217 WeakPolarHBondContact CE-OE1 3.41Å; K72-E217 VanDerWaalsContact CE-OE2 3.29Å; K72-E217 WeakPolarHBondContact CE-OE2 3.3Å; K72-E217 IonicContact NZ-OE1 3.37Å; K72-E217 PolarHBondContact NZ-OE1 3.26Å; K72-E217 IonicContact NZ-OE2 3.64Å; K72-M218 WeakPolarHBondContact CA-O 3.34Å; K72-E219 HydrophobicContact CB-CB 4.38Å; K72-E219 HydrophobicContact CD-CB 4.45Å; K72-E219 HydrophobicContact CG-CB 4.2Å; K72-E219 IonicContact NZ-OE2 2.72Å; K72-E219 PolarHBondContact NZ-OE2 2.68Å
73L98.2Very high97.6Very high0 Ų037.1 Ų37.10%025%0.247CC..EExtended strand (participates in β ladder)trans-135134.6-170.4-175.158.7000109.9F71 R84 M85 M146 A148 I183 V185 E217 M218F71-L73 HydrophobicContact CD2-CB 4.26Å; F71-L73 HydrophobicContact CE2-CB 4.45Å; L73-R84 CarbonylContact C-O 3.57Å; L73-R84 WeakPolarHBondContact CA-O 3.36Å; L73-M85 HydrophobicContact CD1-CB 3.95Å; L73-M85 HydrophobicContact CD1-CE 4.22Å; L73-M85 HydrophobicContact CD1-CG 3.41Å; L73-M85 VanDerWaalsContact CD1-CG 3.41Å; L73-M85 HydrophobicContact CD1-SD 4.14Å; L73-M146 HydrophobicContact CD1-CE 4.45Å; L73-A148 HydrophobicContact CD1-CB 3.97Å; L73-I183 HydrophobicContact CD2-CB 3.8Å; L73-I183 HydrophobicContact CD2-CG2 4.35Å; L73-I183 HydrophobicContact CG-CB 3.98Å; L73-I183 HydrophobicContact CG-CG2 4.06Å; L73-V185 HydrophobicContact CD2-CG2 3.79Å; L73-E217 WeakPolarHBondContact O-CA 3.45Å; L73-M218 HydrophobicContact CD2-CE 4.39Å; L73-M218 PolarHBondContact N-O 2.87Å; L73-M218 PolarHBondContact O-N 3.15Å
74T98.7Very high97.7Very high21 Ų2139.9 Ų39.913%0.12924%0.243CC..EExtended strand (participates in β ladder)trans-132.9145.1174.155.70000110.8P83 R84 L216 E217T74-P83 WeakPolarHBondContact O-CA 3.33Å; T74-P83 WeakPolarHBondContact O-CB 3.5Å; T74-R84 PolarHBondContact N-O 3.33Å; T74-R84 PolarHBondContact O-N 2.72Å; T74-R84 WeakPolarHBondContact OG1-CB 3.37Å; T74-R84 PolarHBondContact OG1-N 3.19Å; T74-R84 VanDerWaalsContact OG1-N 3.08Å; T74-R84 PolarHBondContact OG1-O 2.83Å; T74-L216 CarbonylContact C-O 3.57Å; T74-L216 WeakPolarHBondContact CA-O 3.42Å; T74-E217 HydrophobicContact CG2-CB 3.92Å; T74-E217 HydrophobicContact CG2-CG 3.78Å; T74-E217 WeakPolarHBondContact CG2-OE2 3.27Å
75S98.8Very high97.8Very high3 Ų338.2 Ų38.22%0.02123%0.232CC..  trans-74.7172.616967.70000111N181 L216S75-N181 VanDerWaalsContact OG-CG 3.23Å; S75-N181 PolarHBondContact OG-ND2 2.76Å; S75-N181 VanDerWaalsContact OG-ND2 3.15Å; S75-N181 PolarHBondContact OG-OD1 3.49Å; S75-L216 PolarHBondContact N-O 3.42Å; S75-L216 PolarHBondContact OG-N 3.32Å
76G98.5Very high97.9Very high0 Ų035.4 Ų35.40%021%0.214CC..  trans-69.9157.4167.400000112.9V81 S149 N181G76-V81 CarbonylContact C-O 3.53Å; G76-V81 WeakPolarHBondContact CA-O 3.33Å; G76-S149 PolarHBondContact N-O 2.95Å; G76-N181 PolarHBondContact O-ND2 2.87Å
77A98.3Very high98.1Very high13 Ų1329.4 Ų29.411%0.10717%0.174CC..BIsolated β-bridgetrans-101.4105.6169.600000109.1S79 V80 V81 Y209 V215A77-S79 PolarHBondContact O-N 2.86Å; A77-V80 PolarHBondContact O-N 2.84Å; A77-V80 VanDerWaalsContact O-N 3.13Å; A77-V81 HydrophobicContact CB-CB 3.88Å; A77-V81 HydrophobicContact CB-CG2 4.32Å; A77-V81 PolarHBondContact N-O 3.23Å; A77-V81 PolarHBondContact O-N 2.05Å; A77-Y209 HydrophobicContact CB-CE2 4.24Å; A77-V215 HydrophobicContact CB-CG2 3.39Å
78A97.4Very high98.2Very high11 Ų1128.8 Ų28.89%0.09116%0.16CC..THydrogen-bonded Turntrans47.6-130.3-170.900000111F150 D151 Y209 W212A78-F150 WeakPolarHBondContact O-CD2 3.34Å; A78-F150 WeakPolarHBondContact O-CE2 3.38Å; A78-D151 WeakPolarHBondContact O-CA 3.3Å; A78-D151 PolarHBondContact O-N 2.97Å; A78-Y209 HydrophobicContact CB-CD2 4.48Å; A78-W212 HydrophobicContact CB-CB 4.01Å; A78-W212 HydrophobicContact CB-CD2 3.75Å; A78-W212 HydrophobicContact CB-CE3 4.03Å; A78-W212 HydrophobicContact CB-CG 3.77Å
79S97.1Very high98.1Very high62 Ų6230.8 Ų30.843%0.43417%0.173SC..THydrogen-bonded Turntrans-103.28.5174.957.60000113.9A77A77-S79 PolarHBondContact O-N 2.86Å
80V97.6Very high98.1Very high122 Ų12236.1 Ų36.174%0.73920%0.196SC*.THydrogen-bonded Turntrans-103.8-46.1-168.1-1740000112.3A77A77-V80 PolarHBondContact O-N 2.84Å; A77-V80 VanDerWaalsContact O-N 3.13Å
81V98.4Very high98.1Very high90 Ų9038.1 Ų38.155%0.54521%0.206SC..BIsolated β-bridgetrans-111.4118.2-178.6-175.60000108.8G76 A77 F150G76-V81 CarbonylContact C-O 3.53Å; G76-V81 WeakPolarHBondContact CA-O 3.33Å; A77-V81 HydrophobicContact CB-CB 3.88Å; A77-V81 HydrophobicContact CB-CG2 4.32Å; A77-V81 PolarHBondContact N-O 3.23Å; A77-V81 PolarHBondContact O-N 2.05Å; V81-F150 VanDerWaalsContact O-CE2 3.26Å; V81-F150 WeakPolarHBondContact O-CE2 3.45Å
82G98.5Very high98.1Very high15 Ų1538.5 Ų38.516%0.15521%0.208CC..  trans-71.6162.5177.400000113.3
83P98.8Very high98.1Very high0 Ų036.4 Ų36.40%020%0.199CC..  trans-65.6162.5-178.826.9-35.5000112.1T74 S94 V100 N105 A148 F150T74-P83 WeakPolarHBondContact O-CA 3.33Å; T74-P83 WeakPolarHBondContact O-CB 3.5Å; P83-S94 WeakPolarHBondContact O-CA 3.36Å; P83-V100 HydrophobicContact CG-CB 4.32Å; P83-V100 HydrophobicContact CG-CG1 4.11Å; P83-N105 HydrophobicContact CG-CB 3.96Å; P83-A148 HydrophobicContact CB-CB 3.66Å; P83-A148 HydrophobicContact CG-CB 4.3Å; P83-F150 HydrophobicContact CG-CB 4.31Å
84R98.7Very high98.1Very high124 Ų12436.6 Ų36.647%0.46820%0.201SC..EExtended strand (participates in β ladder)trans-126.8127.6175.2-171.7-173.3168.786-0.4110.4L73 T74 L91 M93L73-R84 CarbonylContact C-O 3.57Å; L73-R84 WeakPolarHBondContact CA-O 3.36Å; T74-R84 PolarHBondContact N-O 3.33Å; T74-R84 PolarHBondContact O-N 2.72Å; T74-R84 WeakPolarHBondContact OG1-CB 3.37Å; T74-R84 PolarHBondContact OG1-N 3.19Å; T74-R84 VanDerWaalsContact OG1-N 3.08Å; T74-R84 PolarHBondContact OG1-O 2.83Å; R84-L91 HydrophobicContact CG-CD1 3.68Å; R84-M93 WeakPolarHBondContact CA-O 3.24Å
85M98.8Very high98.1Very high0 Ų037.4 Ų37.40%021%0.213CC..EExtended strand (participates in β ladder)trans-124.3119.2178.1-45.2-170.7175.700110.4L73 L92 M93 N105 A107 M146 A148L73-M85 HydrophobicContact CD1-CB 3.95Å; L73-M85 HydrophobicContact CD1-CE 4.22Å; L73-M85 HydrophobicContact CD1-CG 3.41Å; L73-M85 VanDerWaalsContact CD1-CG 3.41Å; L73-M85 HydrophobicContact CD1-SD 4.14Å; M85-L92 HydrophobicContact CB-CB 4.42Å; M85-L92 PolarHBondContact O-N 2.98Å; M85-M93 HydrophobicContact CB-CB 4.19Å; M85-M93 HydrophobicContact CE-SD 3.97Å; M85-M93 HydrophobicContact CG-CB 3.91Å; M85-M93 PolarHBondContact N-O 2.63Å; M85-M93 PolarHBondContact O-N 2.88Å; M85-M93 HydrophobicContact SD-CB 4.05Å; M85-M93 HydrophobicContact SD-CG 4.07Å; M85-M93 HydrophobicContact SD-SD 3.63Å; M85-M93 VanDerWaalsContact SD-SD 3.63Å; M85-N105 HydrophobicContact CE-CB 3.64Å; M85-N105 WeakPolarHBondContact CE-O 3.15Å; M85-A107 HydrophobicContact SD-CB 3.91Å; M85-M146 HydrophobicContact CB-CE 4.37Å; M85-M146 HydrophobicContact SD-CB 4.28Å; M85-A148 HydrophobicContact CE-CB 3.57Å
86C98.6Very high98Very high6 Ų642.9 Ų42.94%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-123.3137.9176-177.90000110.3C58 F71 K72 K90C58-C86 VanDerWaalsContact CA-SG 3.51Å; C58-C86 HydrophobicContact CB-CB 3.74Å; C58-C86 WeakPolarHBondContact CB-SG 3.43Å; C58-C86 WeakPolarHBondContact SG-CB 3.3Å; C58-C86 CovalentContact SG-SG 2.05Å; C58-C86 PolarHBondContact SG-SG 3.02Å; F71-C86 CarbonylContact C-O 3.59Å; F71-C86 WeakPolarHBondContact CA-O 3.27Å; F71-C86 WeakPolarHBondContact CB-O 3.46Å; K72-C86 PolarHBondContact N-O 2.96Å; K72-C86 PolarHBondContact O-N 2.9Å; C86-K90 WeakPolarHBondContact CA-O 3.41Å
87L98.4Very high98Very high2 Ų248 Ų481%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-137.3128170.7-17580.2000109.4C58 M69 A70 F71 D89 K90 L92 V109 M146C58-L87 PolarHBondContact SG-N 2.91Å; M69-L87 HydrophobicContact CB-CD1 4.03Å; A70-L87 CarbonylContact O-C 3.58Å; A70-L87 WeakPolarHBondContact O-CA 3.36Å; A70-L87 WeakPolarHBondContact O-CD1 3.39Å; F71-L87 HydrophobicContact CB-CD1 3.77Å; L87-D89 VanDerWaalsContact C-N 3.31Å; L87-D89 PolarHBondContact O-N 3.49Å; L87-K90 PolarHBondContact N-O 2.81Å; L87-K90 WeakPolarHBondContact O-CA 3.47Å; L87-K90 VanDerWaalsContact O-CB 3.3Å; L87-K90 WeakPolarHBondContact O-CB 3.19Å; L87-K90 PolarHBondContact O-N 3.01Å; L87-L92 HydrophobicContact CB-CD1 3.87Å; L87-L92 HydrophobicContact CB-CG 4.37Å; L87-V109 HydrophobicContact CD2-CB 4.05Å; L87-V109 HydrophobicContact CD2-CG1 3.35Å; L87-V109 HydrophobicContact CD2-CG2 3.91Å; L87-M146 HydrophobicContact CB-SD 4.34Å
88E96.8Very high98Very high29 Ų2954.6 Ų54.614%0.13630%0.301CS..THydrogen-bonded Turntrans50.148177.5-67.9-73.599.900112.9K57 M69 A70 K90 R224K57-E88 WeakPolarHBondContact CD-OE1 3.5Å; K57-E88 IonicContact NZ-OE1 2.68Å; K57-E88 IonicContact NZ-OE2 2.63Å; K57-E88 PolarHBondContact NZ-OE2 2.99Å; M69-E88 WeakPolarHBondContact CA-OE1 3.21Å; M69-E88 HydrophobicContact CB-CG 3.87Å; M69-E88 HydrophobicContact CG-CG 3.94Å; A70-E88 PolarHBondContact N-OE1 2.03Å; A70-E88 PolarHBondContact O-N 2.86Å; E88-K90 PolarHBondContact O-N 2.93Å; E88-K90 VanDerWaalsContact O-N 3.08Å; E88-R224 IonicContact OE2-NH2 2.8Å; E88-R224 PolarHBondContact OE2-NH2 3.27Å
89D96.4Very high98Very high102 Ų10255.6 Ų55.655%0.54531%0.305SS..THydrogen-bonded Turntrans63.2-0.6-173-79.3-36.9000116.4K57 C58 L87K57-D89 VanDerWaalsContact CA-OD1 3.24Å; K57-D89 WeakPolarHBondContact CA-OD1 3.34Å; K57-D89 WeakPolarHBondContact CA-OD2 3.43Å; K57-D89 WeakPolarHBondContact CG-OD2 3.35Å; C58-D89 PolarHBondContact N-OD1 3.09Å; C58-D89 PolarHBondContact SG-N 3.1Å; C58-D89 VanDerWaalsContact SG-N 3.41Å; L87-D89 VanDerWaalsContact C-N 3.31Å; L87-D89 PolarHBondContact O-N 3.49Å
90K97.4Very high98.1Very high113 Ų11353.9 Ų53.949%0.49129%0.292SS..EExtended strand (participates in β ladder)trans-88.9115.3175.9-59.3175.8-176.1174.60109.2C86 L87 E88 L92C86-K90 WeakPolarHBondContact CA-O 3.41Å; L87-K90 PolarHBondContact N-O 2.81Å; L87-K90 WeakPolarHBondContact O-CA 3.47Å; L87-K90 VanDerWaalsContact O-CB 3.3Å; L87-K90 WeakPolarHBondContact O-CB 3.19Å; L87-K90 PolarHBondContact O-N 3.01Å; E88-K90 PolarHBondContact O-N 2.93Å; E88-K90 VanDerWaalsContact O-N 3.08Å; K90-L92 HydrophobicContact CB-CD2 4.01Å; K90-L92 PolarHBondContact O-N 2.82Å
91L98.1Very high98.2Very high44 Ų4448.5 Ų48.523%0.2326%0.261CS..EExtended strand (participates in β ladder)trans-72.8105.1171.1-172.961.6000109.5R84 S94 V96 K97R84-L91 HydrophobicContact CG-CD1 3.68Å; L91-S94 WeakPolarHBondContact CD2-OG 3.38Å; L91-V96 HydrophobicContact CD2-CG2 3.98Å; L91-K97 HydrophobicContact CB-CD 4.33Å; L91-K97 HydrophobicContact CD2-CD 4.19Å; L91-K97 HydrophobicContact CD2-CG 4.3Å; L91-K97 HydrophobicContact CG-CD 3.9Å; L91-K97 WeakPolarHBondContact O-CD 3.03Å; L91-K97 VanDerWaalsContact O-CE 3.25Å; L91-K97 WeakPolarHBondContact O-CE 3.07Å
92L98.6Very high98.2Very high8 Ų848.6 Ų48.64%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-82.7-51.8-174.8-51.5-174.8000111M85 L87 K90 K97 N99 A107 V109 L116 M146M85-L92 HydrophobicContact CB-CB 4.42Å; M85-L92 PolarHBondContact O-N 2.98Å; L87-L92 HydrophobicContact CB-CD1 3.87Å; L87-L92 HydrophobicContact CB-CG 4.37Å; K90-L92 HydrophobicContact CB-CD2 4.01Å; K90-L92 PolarHBondContact O-N 2.82Å; L92-K97 WeakPolarHBondContact O-CE 3.18Å; L92-N99 PolarHBondContact O-ND2 3.45Å; L92-A107 HydrophobicContact CB-CB 4.33Å; L92-A107 HydrophobicContact CD1-CB 4.08Å; L92-V109 HydrophobicContact CD1-CG2 3.73Å; L92-L116 HydrophobicContact CB-CD1 4.48Å; L92-L116 HydrophobicContact CD1-CD1 4.34Å; L92-L116 HydrophobicContact CD2-CB 4.26Å; L92-L116 HydrophobicContact CD2-CD1 4.23Å; L92-L116 HydrophobicContact CD2-CD2 4.38Å; L92-M146 HydrophobicContact CD1-SD 3.96Å
93M98.8Very high98.2Very high0 Ų047.9 Ų47.90%025%0.245CC..EExtended strand (participates in β ladder)trans-135136.9180-60-176.276.800110.8R84 M85 N99 V100 N105 I106 A107 T119 A120R84-M93 WeakPolarHBondContact CA-O 3.24Å; M85-M93 HydrophobicContact CB-CB 4.19Å; M85-M93 HydrophobicContact CE-SD 3.97Å; M85-M93 HydrophobicContact CG-CB 3.91Å; M85-M93 PolarHBondContact N-O 2.63Å; M85-M93 PolarHBondContact O-N 2.88Å; M85-M93 HydrophobicContact SD-CB 4.05Å; M85-M93 HydrophobicContact SD-CG 4.07Å; M85-M93 HydrophobicContact SD-SD 3.63Å; M85-M93 VanDerWaalsContact SD-SD 3.63Å; M93-N99 WeakPolarHBondContact CA-OD1 3.48Å; M93-N99 WeakPolarHBondContact CE-O 3.48Å; M93-V100 HydrophobicContact CB-CG1 3.92Å; M93-V100 HydrophobicContact CE-CG1 4.31Å; M93-N105 HydrophobicContact CE-CB 3.86Å; M93-N105 HydrophobicContact SD-CB 4.35Å; M93-I106 VanDerWaalsContact SD-C 3.56Å; M93-I106 VanDerWaalsContact SD-O 3.36Å; M93-A107 HydrophobicContact CG-CB 4.37Å; M93-A107 HydrophobicContact SD-CB 4.08Å; M93-T119 HydrophobicContact CG-CG2 3.66Å; M93-T119 HydrophobicContact SD-CG2 4.13Å; M93-A120 VanDerWaalsContact CE-O 3.3Å; M93-A120 WeakPolarHBondContact CE-O 3.46Å
94S98.6Very high98.2Very high4 Ų447.9 Ų47.93%0.02825%0.245CC..  trans-168.5162.417460.60000112.1P83 L91 V96 K97 N98 N99P83-S94 WeakPolarHBondContact O-CA 3.36Å; L91-S94 WeakPolarHBondContact CD2-OG 3.38Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.26Å; S94-V96 WeakPolarHBondContact OG-CG2 3.21Å; S94-K97 PolarHBondContact O-N 3.34Å; S94-K97 VanDerWaalsContact O-N 3.08Å; S94-K97 WeakPolarHBondContact OG-CG 3.43Å; S94-K97 PolarHBondContact OG-N 3.36Å; S94-N98 PolarHBondContact O-N 3.34Å; S94-N99 PolarHBondContact N-OD1 2.98Å; S94-N99 PolarHBondContact O-OD1 2.89Å
95G97.8Very high98.2Very high37 Ų3742 Ų4238%0.38122%0.222SC..G310 helixtrans-53-43.7169.100000112.9K97 N98G95-K97 PolarHBondContact O-N 3.02Å; G95-N98 PolarHBondContact O-N 3.32Å; G95-N98 PolarHBondContact O-OD1 2.92Å
96V96.9Very high98.2Very high118 Ų11842 Ų4272%0.71522%0.222SC*.G310 helixtrans-67.3-20.8179.7-59.60000114L91 S94 N98L91-V96 HydrophobicContact CD2-CG2 3.98Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.26Å; S94-V96 WeakPolarHBondContact OG-CG2 3.21Å; V96-N98 VanDerWaalsContact C-N 3.32Å
97K97.8Very high98.2Very high108 Ų10841.7 Ų41.747%0.4722%0.22SC..G310 helixtrans-87.4-3173.4-73.6-176.776.177.10112.7L91 L92 S94 G95 N99L91-K97 HydrophobicContact CB-CD 4.33Å; L91-K97 HydrophobicContact CD2-CD 4.19Å; L91-K97 HydrophobicContact CD2-CG 4.3Å; L91-K97 HydrophobicContact CG-CD 3.9Å; L91-K97 WeakPolarHBondContact O-CD 3.03Å; L91-K97 VanDerWaalsContact O-CE 3.25Å; L91-K97 WeakPolarHBondContact O-CE 3.07Å; L92-K97 WeakPolarHBondContact O-CE 3.18Å; S94-K97 PolarHBondContact O-N 3.34Å; S94-K97 VanDerWaalsContact O-N 3.08Å; S94-K97 WeakPolarHBondContact OG-CG 3.43Å; S94-K97 PolarHBondContact OG-N 3.36Å; G95-K97 PolarHBondContact O-N 3.02Å; K97-N99 VanDerWaalsContact CB-OD1 3.32Å; K97-N99 WeakPolarHBondContact CB-OD1 3.37Å; K97-N99 PolarHBondContact O-N 2.86Å; K97-N99 VanDerWaalsContact O-N 3.16Å
98N98.1Very high98.3Very high151 Ų15142.3 Ų42.381%0.80722%0.223SC*.THydrogen-bonded Turntrans5135.5-177.1-59.7-47.8000113.1S94 G95 V96S94-N98 PolarHBondContact O-N 3.34Å; G95-N98 PolarHBondContact O-N 3.32Å; G95-N98 PolarHBondContact O-OD1 2.92Å; V96-N98 VanDerWaalsContact C-N 3.32Å
99N98.6Very high98.3Very high32 Ų3240.9 Ų40.917%0.17122%0.217CC..  trans-126.924.4-176.974-22.3000113.3L92 M93 S94 K97L92-N99 PolarHBondContact O-ND2 3.45Å; M93-N99 WeakPolarHBondContact CA-OD1 3.48Å; M93-N99 WeakPolarHBondContact CE-O 3.48Å; S94-N99 PolarHBondContact N-OD1 2.98Å; S94-N99 PolarHBondContact O-OD1 2.89Å; K97-N99 VanDerWaalsContact CB-OD1 3.32Å; K97-N99 WeakPolarHBondContact CB-OD1 3.37Å; K97-N99 PolarHBondContact O-N 2.86Å; K97-N99 VanDerWaalsContact O-N 3.16Å
100V98.8Very high98.4Very high26 Ų2638.5 Ų38.516%0.15820%0.204CC..  trans-121.7150.5176.1-64.40000110P83 M93 N105P83-V100 HydrophobicContact CG-CB 4.32Å; P83-V100 HydrophobicContact CG-CG1 4.11Å; M93-V100 HydrophobicContact CB-CG1 3.92Å; M93-V100 HydrophobicContact CE-CG1 4.31Å; V100-N105 WeakPolarHBondContact CA-OD1 3.31Å; V100-N105 WeakPolarHBondContact CB-OD1 3.5Å
101G98.8Very high98.4Very high9 Ų933.3 Ų33.39%0.09318%0.182CC..  trans-154168-18000000112.1N105 F150G101-N105 PolarHBondContact N-OD1 3.47Å; G101-N105 PolarHBondContact O-ND2 3.29Å; G101-N105 PolarHBondContact O-OD1 3.19Å; G101-F150 VanDerWaalsContact C-CD1 3.43Å; G101-F150 WeakPolarHBondContact O-CB 3.34Å; G101-F150 WeakPolarHBondContact O-CD1 3.48Å
102R98.8Very high98.3Very high93 Ų9336.2 Ų36.235%0.35119%0.193SC..SBendtrans-52144.4177.3172.4169.569.3-131.2-4.6110.7D123 W125 D151R102-D123 IonicContact CZ-OD1 3.92Å; R102-D123 IonicContact CZ-OD2 2.75Å; R102-D123 IonicContact NE-OD1 3.98Å; R102-D123 PolarHBondContact NE-OD1 2.88Å; R102-D123 IonicContact NE-OD2 3.93Å; R102-D123 PolarHBondContact NE-OD2 3.16Å; R102-D123 IonicContact NH2-OD1 3.03Å; R102-D123 IonicContact NH2-OD2 2.88Å; R102-D123 PolarHBondContact NH2-OD2 2.92Å; R102-D123 VanDerWaalsContact O-CA 3.31Å; R102-D123 WeakPolarHBondContact O-CA 3.47Å; R102-W125 HydrophobicContact CG-CB 4.45Å; R102-D151 WeakPolarHBondContact CD-OD2 3.33Å; R102-D151 HydrophobicContact CG-CB 3.99Å
103G98.8Very high98.1Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans101-140.8178.900000113.3Y122 S149 F150 D152G103-Y122 CarbonylContact C-O 3.5Å; G103-Y122 VanDerWaalsContact CA-O 3.27Å; G103-Y122 WeakPolarHBondContact CA-O 3.42Å; G103-S149 CarbonylContact O-C 3.43Å; G103-F150 PolarHBondContact N-O 3.5Å; G103-F150 PolarHBondContact O-N 2.97Å; G103-D152 VanDerWaalsContact CA-O 3.31Å; G103-D152 WeakPolarHBondContact CA-O 3.35Å
104I98.9Very high98Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-96.1118.6179-65.5170.1000108.6Y121 Y122 M124 F132 M147 P153 L157 I165 W182I104-Y121 CarbonylContact O-C 3.56Å; I104-Y121 VanDerWaalsContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CA 3.26Å; I104-Y122 PolarHBondContact N-O 2.92Å; I104-Y122 PolarHBondContact O-N 2.81Å; I104-M124 HydrophobicContact CB-CG 4.44Å; I104-M124 HydrophobicContact CD1-CG 3.95Å; I104-M124 HydrophobicContact CG1-CG 3.95Å; I104-F132 HydrophobicContact CB-CZ 4.36Å; I104-F132 HydrophobicContact CD1-CE1 3.72Å; I104-F132 HydrophobicContact CD1-CZ 4.08Å; I104-F132 HydrophobicContact CG2-CZ 3.96Å; I104-M147 HydrophobicContact CG2-CB 4.2Å; I104-M147 HydrophobicContact CG2-CG 4.34Å; I104-M147 HydrophobicContact CG2-SD 3.94Å; I104-P153 HydrophobicContact CD1-CB 4.43Å; I104-P153 HydrophobicContact CG1-CB 3.77Å; I104-L157 HydrophobicContact CD1-CD1 4.12Å; I104-L157 HydrophobicContact CD1-CD2 3.95Å; I104-L157 HydrophobicContact CD1-CG 4.34Å; I104-I165 HydrophobicContact CD1-CD1 4.47Å; I104-W182 HydrophobicContact CD1-CZ3 4.49Å; I104-W182 HydrophobicContact CG2-CZ3 4.44Å
105N98.9Very high98Very high0 Ų044.8 Ų44.80%024%0.239CC..EExtended strand (participates in β ladder)trans-92137.5171.4-65-100.2000107.6P83 M85 M93 V100 G101 Y121 M147 A148P83-N105 HydrophobicContact CG-CB 3.96Å; M85-N105 HydrophobicContact CE-CB 3.64Å; M85-N105 WeakPolarHBondContact CE-O 3.15Å; M93-N105 HydrophobicContact CE-CB 3.86Å; M93-N105 HydrophobicContact SD-CB 4.35Å; V100-N105 WeakPolarHBondContact CA-OD1 3.31Å; V100-N105 WeakPolarHBondContact CB-OD1 3.5Å; G101-N105 PolarHBondContact N-OD1 3.47Å; G101-N105 PolarHBondContact O-ND2 3.29Å; G101-N105 PolarHBondContact O-OD1 3.19Å; N105-Y121 WeakPolarHBondContact OD1-CB 3.41Å; N105-M147 CarbonylContact O-C 3.57Å; N105-M147 WeakPolarHBondContact O-CA 3.14Å; N105-A148 WeakPolarHBondContact CB-O 3.49Å; N105-A148 PolarHBondContact N-O 3.04Å; N105-A148 PolarHBondContact O-N 3.48Å
106I98.9Very high98Very high0 Ų046.8 Ų46.80%024%0.241CC..EExtended strand (participates in β ladder)trans-139.6129.7-173.1-176.7164.4000111.9M93 L108 T119 A120 Y122 F132 F135 L136 V145 M146 M147M93-I106 VanDerWaalsContact SD-C 3.56Å; M93-I106 VanDerWaalsContact SD-O 3.36Å; I106-L108 HydrophobicContact CD1-CD2 4.16Å; I106-L108 HydrophobicContact CG1-CD2 4.11Å; I106-T119 CarbonylContact O-C 3.57Å; I106-T119 WeakPolarHBondContact O-CA 3.37Å; I106-A120 HydrophobicContact CG2-CB 3.99Å; I106-A120 WeakPolarHBondContact CG2-O 3.48Å; I106-A120 PolarHBondContact N-O 2.92Å; I106-A120 PolarHBondContact O-N 3.02Å; I106-Y122 HydrophobicContact CG2-CD2 4.26Å; I106-Y122 HydrophobicContact CG2-CE2 4.01Å; I106-F132 HydrophobicContact CD1-CE2 4.34Å; I106-F135 HydrophobicContact CD1-CD1 4.14Å; I106-F135 HydrophobicContact CD1-CE1 3.6Å; I106-F135 HydrophobicContact CG1-CE1 4.05Å; I106-F135 HydrophobicContact CG2-CE1 3.9Å; I106-F135 HydrophobicContact CG2-CZ 4.06Å; I106-L136 HydrophobicContact CD1-CD2 4.25Å; I106-V145 HydrophobicContact CD1-CG1 3.71Å; I106-V145 HydrophobicContact CG1-CG1 3.97Å; I106-M146 CarbonylContact C-O 3.58Å; I106-M146 VanDerWaalsContact CA-O 3.3Å; I106-M146 WeakPolarHBondContact CA-O 3.22Å; I106-M147 HydrophobicContact CB-CG 4.24Å; I106-M147 HydrophobicContact CD1-CE 3.59Å; I106-M147 HydrophobicContact CD1-CG 4.05Å; I106-M147 HydrophobicContact CD1-SD 4.11Å; I106-M147 HydrophobicContact CG1-CG 4Å
107A98.9Very high98.1Very high0 Ų045.5 Ų45.50%023%0.229CC..EExtended strand (participates in β ladder)trans-118.6128.8170.600000110.3M85 L92 M93 L116 K118 T119 M146M85-A107 HydrophobicContact SD-CB 3.91Å; L92-A107 HydrophobicContact CB-CB 4.33Å; L92-A107 HydrophobicContact CD1-CB 4.08Å; M93-A107 HydrophobicContact CG-CB 4.37Å; M93-A107 HydrophobicContact SD-CB 4.08Å; A107-L116 HydrophobicContact CB-CD1 4.46Å; A107-K118 WeakPolarHBondContact CA-O 3.32Å; A107-T119 HydrophobicContact CB-CG2 4.21Å; A107-M146 HydrophobicContact CB-CB 4.39Å; A107-M146 PolarHBondContact N-O 2.87Å; A107-M146 PolarHBondContact O-N 3.15Å
108L98.8Very high98.1Very high14 Ų1445 Ų457%0.07323%0.227CC..EExtended strand (participates in β ladder)trans-103.5129.5175.5-58.5-172.4000109.4I106 L117 K118 F135 I139 T143 I144 V145I106-L108 HydrophobicContact CD1-CD2 4.16Å; I106-L108 HydrophobicContact CG1-CD2 4.11Å; L108-L117 HydrophobicContact CB-CB 4.18Å; L108-L117 WeakPolarHBondContact O-CB 3.42Å; L108-L117 PolarHBondContact O-N 3.44Å; L108-K118 HydrophobicContact CB-CB 4.3Å; L108-K118 HydrophobicContact CD1-CB 4.22Å; L108-K118 HydrophobicContact CG-CB 4.44Å; L108-K118 PolarHBondContact N-O 3.03Å; L108-K118 PolarHBondContact O-N 3.48Å; L108-F135 HydrophobicContact CD1-CE1 3.66Å; L108-F135 HydrophobicContact CD1-CE2 4.49Å; L108-F135 HydrophobicContact CD1-CZ 3.55Å; L108-F135 HydrophobicContact CD2-CE1 4.08Å; L108-F135 HydrophobicContact CD2-CZ 4.46Å; L108-F135 HydrophobicContact CG-CE1 3.91Å; L108-F135 HydrophobicContact CG-CZ 3.8Å; L108-I139 HydrophobicContact CD1-CG1 3.98Å; L108-I139 HydrophobicContact CD2-CD1 3.82Å; L108-I139 HydrophobicContact CD2-CG1 4.12Å; L108-I139 HydrophobicContact CD2-CG2 4.42Å; L108-T143 HydrophobicContact CB-CG2 3.8Å; L108-T143 HydrophobicContact CD2-CG2 4.06Å; L108-T143 HydrophobicContact CG-CG2 4.36Å; L108-I144 WeakPolarHBondContact CA-O 3.31Å; L108-V145 HydrophobicContact CD2-CB 4.29Å; L108-V145 HydrophobicContact CD2-CG1 3.9Å; L108-V145 HydrophobicContact CD2-CG2 3.86Å
109V98.6Very high98.1Very high0 Ų040.1 Ų40.10%020%0.203CC..EExtended strand (participates in β ladder)trans-131.6139.3-177.5-176.30000109.5L87 L92 G111 G114 E115 L116 T143 I144L87-V109 HydrophobicContact CD2-CB 4.05Å; L87-V109 HydrophobicContact CD2-CG1 3.35Å; L87-V109 HydrophobicContact CD2-CG2 3.91Å; L92-V109 HydrophobicContact CD1-CG2 3.73Å; V109-G111 PolarHBondContact O-N 3.47Å; V109-G114 WeakPolarHBondContact CG1-O 3.28Å; V109-E115 CarbonylContact C-O 3.57Å; V109-E115 WeakPolarHBondContact CA-O 3.27Å; V109-E115 VanDerWaalsContact CG1-O 3.23Å; V109-E115 WeakPolarHBondContact CG1-O 3.2Å; V109-L116 HydrophobicContact CG2-CD1 4.48Å; V109-T143 CarbonylContact O-C 3.59Å; V109-T143 WeakPolarHBondContact O-CA 3.49Å; V109-I144 HydrophobicContact CB-CB 4.29Å; V109-I144 PolarHBondContact N-O 3.44Å; V109-I144 PolarHBondContact O-N 2.88Å
110N98.1Very high98.1Very high52 Ų5239.5 Ų39.528%0.27820%0.202SC..EExtended strand (participates in β ladder)trans-61.2120.4171.3-174.5-60000110.4K112 T113 G114 E115 L117N110-K112 PolarHBondContact O-N 3.31Å; N110-K112 WeakPolarHBondContact OD1-CA 3.21Å; N110-K112 WeakPolarHBondContact OD1-CB 3.33Å; N110-K112 PolarHBondContact OD1-N 2.89Å; N110-T113 WeakPolarHBondContact CB-OG1 3.36Å; N110-T113 PolarHBondContact OD1-N 3.08Å; N110-T113 PolarHBondContact OD1-OG1 3.34Å; N110-G114 WeakPolarHBondContact O-CA 3.38Å; N110-G114 PolarHBondContact O-N 2.88Å; N110-E115 PolarHBondContact N-O 2.91Å; N110-L117 HydrophobicContact CB-CD1 4.35Å; N110-L117 HydrophobicContact CB-CD2 4.15Å; N110-L117 HydrophobicContact CB-CG 4.29Å
111G96.9Very high98.1Very high3 Ų344.2 Ų44.23%0.03122%0.218CC..THydrogen-bonded Turntrans-70.2-12.4-175.600000115.7V109 G142 R225V109-G111 PolarHBondContact O-N 3.47Å; G111-G142 VanDerWaalsContact CA-O 3.25Å; G111-G142 WeakPolarHBondContact CA-O 3.02Å; G111-G142 PolarHBondContact N-O 2.85Å; G111-R225 PolarHBondContact O-N 3.03Å
112K95.3Very high98.1Very high106 Ų10645.6 Ų45.646%0.46122%0.221SC..THydrogen-bonded Turntrans-94.4-50176.3-177.4171.3-176.7169.30111.3N110 D227N110-K112 PolarHBondContact O-N 3.31Å; N110-K112 WeakPolarHBondContact OD1-CA 3.21Å; N110-K112 WeakPolarHBondContact OD1-CB 3.33Å; N110-K112 PolarHBondContact OD1-N 2.89Å; K112-D227 IonicContact NZ-OD1 3.86Å; K112-D227 PolarHBondContact NZ-OD1 3.26Å; K112-D227 IonicContact NZ-OD2 2.65Å; K112-D227 PolarHBondContact NZ-OD2 3.27Å
113T95.6Very high98.1Very high69 Ų6943 Ų4342%0.42321%0.214SC..THydrogen-bonded Turntrans-91.1-22.9-173.766.60000113.7N110 E115N110-T113 WeakPolarHBondContact CB-OG1 3.36Å; N110-T113 PolarHBondContact OD1-N 3.08Å; N110-T113 PolarHBondContact OD1-OG1 3.34Å; T113-E115 PolarHBondContact O-N 2.75Å; T113-E115 WeakPolarHBondContact OG1-CB 3.2Å; T113-E115 WeakPolarHBondContact OG1-CG 3.38Å; T113-E115 PolarHBondContact OG1-N 2.88Å
114G96.3Very high98.1Very high6 Ų643 Ų436%0.06221%0.214CC..  trans72.815.2-17100000113.5M69 V109 N110M69-G114 WeakPolarHBondContact SD-CA 3.03Å; V109-G114 WeakPolarHBondContact CG1-O 3.28Å; N110-G114 WeakPolarHBondContact O-CA 3.38Å; N110-G114 PolarHBondContact O-N 2.88Å
115E97.6Very high98.1Very high117 Ų11748.9 Ų48.955%0.54724%0.236SC..  trans-81.5140.2177.3-68.6-179.1152.500111.9V109 N110 T113 L117V109-E115 CarbonylContact C-O 3.57Å; V109-E115 WeakPolarHBondContact CA-O 3.27Å; V109-E115 VanDerWaalsContact CG1-O 3.23Å; V109-E115 WeakPolarHBondContact CG1-O 3.2Å; N110-E115 PolarHBondContact N-O 2.91Å; T113-E115 PolarHBondContact O-N 2.75Å; T113-E115 WeakPolarHBondContact OG1-CB 3.2Å; T113-E115 WeakPolarHBondContact OG1-CG 3.38Å; T113-E115 PolarHBondContact OG1-N 2.88Å; E115-L117 PolarHBondContact O-N 3.39Å
116L98.4Very high98Very high79 Ų7952 Ų5241%0.41426%0.262SS..EExtended strand (participates in β ladder)trans-68.3123.9176.9178.265.3000109.8L92 A107 V109 T119L92-L116 HydrophobicContact CB-CD1 4.48Å; L92-L116 HydrophobicContact CD1-CD1 4.34Å; L92-L116 HydrophobicContact CD2-CB 4.26Å; L92-L116 HydrophobicContact CD2-CD1 4.23Å; L92-L116 HydrophobicContact CD2-CD2 4.38Å; A107-L116 HydrophobicContact CB-CD1 4.46Å; V109-L116 HydrophobicContact CG2-CD1 4.48Å; L116-T119 HydrophobicContact CD1-CG2 3.7Å; L116-T119 HydrophobicContact CD2-CG2 4.02Å; L116-T119 HydrophobicContact CG-CG2 4.39Å
117L98.4Very high98Very high90 Ų9053.1 Ų53.147%0.47127%0.273SS..EExtended strand (participates in β ladder)trans-93-48.9175.9-60.2176.6000111L108 N110 E115 T143L108-L117 HydrophobicContact CB-CB 4.18Å; L108-L117 WeakPolarHBondContact O-CB 3.42Å; L108-L117 PolarHBondContact O-N 3.44Å; N110-L117 HydrophobicContact CB-CD1 4.35Å; N110-L117 HydrophobicContact CB-CD2 4.15Å; N110-L117 HydrophobicContact CB-CG 4.29Å; E115-L117 PolarHBondContact O-N 3.39Å; L117-T143 HydrophobicContact CD1-CG2 4.08Å
118K98.4Very high98Very high98 Ų9858.3 Ų58.343%0.42630%0.301SS..EExtended strand (participates in β ladder)trans-159.1147.4-174.4-159.6166.4179.6-175.30111.4A107 L108 F135A107-K118 WeakPolarHBondContact CA-O 3.32Å; L108-K118 HydrophobicContact CB-CB 4.3Å; L108-K118 HydrophobicContact CD1-CB 4.22Å; L108-K118 HydrophobicContact CG-CB 4.44Å; L108-K118 PolarHBondContact N-O 3.03Å; L108-K118 PolarHBondContact O-N 3.48Å; K118-F135 HydrophobicContact CB-CZ 4.49Å; K118-F135 HydrophobicContact CD-CD2 4.28Å; K118-F135 HydrophobicContact CD-CE2 3.46Å; K118-F135 VanDerWaalsContact CD-CE2 3.46Å; K118-F135 HydrophobicContact CD-CZ 4.1Å; K118-F135 HydrophobicContact CG-CE2 3.89Å; K118-F135 HydrophobicContact CG-CZ 4.27Å
119T98.8Very high97.9Very high48 Ų4858.6 Ų58.629%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-125.4142.3166.457.90000109.4M93 I106 A107 L116M93-T119 HydrophobicContact CG-CG2 3.66Å; M93-T119 HydrophobicContact SD-CG2 4.13Å; I106-T119 CarbonylContact O-C 3.57Å; I106-T119 WeakPolarHBondContact O-CA 3.37Å; A107-T119 HydrophobicContact CB-CG2 4.21Å; L116-T119 HydrophobicContact CD1-CG2 3.7Å; L116-T119 HydrophobicContact CD2-CG2 4.02Å; L116-T119 HydrophobicContact CG-CG2 4.39Å
120A98.8Very high98Very high20 Ų2061 Ų6117%0.16532%0.323CS..EExtended strand (participates in β ladder)trans-152.3166.8172.800000110.1M93 I106 Y122 F135M93-A120 VanDerWaalsContact CE-O 3.3Å; M93-A120 WeakPolarHBondContact CE-O 3.46Å; I106-A120 HydrophobicContact CG2-CB 3.99Å; I106-A120 WeakPolarHBondContact CG2-O 3.48Å; I106-A120 PolarHBondContact N-O 2.92Å; I106-A120 PolarHBondContact O-N 3.02Å; A120-Y122 HydrophobicContact CB-CE2 3.7Å; A120-F135 HydrophobicContact CB-CD2 4.38Å; A120-F135 HydrophobicContact CB-CE2 3.81Å; A120-F135 HydrophobicContact CB-CZ 4.23Å
121Y98.8Very high98Very high124 Ų12461.8 Ų61.849%0.48633%0.331SS..EExtended strand (participates in β ladder)trans-137.7150.4164.861.6-95.9000109.3I104 N105I104-Y121 CarbonylContact O-C 3.56Å; I104-Y121 VanDerWaalsContact O-CA 3.27Å; I104-Y121 WeakPolarHBondContact O-CA 3.26Å; N105-Y121 WeakPolarHBondContact OD1-CB 3.41Å
122Y98.8Very high98.1Very high38 Ų3861.6 Ų61.615%0.14933%0.329CS..EExtended strand (participates in β ladder)trans-131.5120.5-177-64.2-84.3000109.6G103 I104 I106 A120 M124 P131 F132 F135G103-Y122 CarbonylContact C-O 3.5Å; G103-Y122 VanDerWaalsContact CA-O 3.27Å; G103-Y122 WeakPolarHBondContact CA-O 3.42Å; I104-Y122 PolarHBondContact N-O 2.92Å; I104-Y122 PolarHBondContact O-N 2.81Å; I106-Y122 HydrophobicContact CG2-CD2 4.26Å; I106-Y122 HydrophobicContact CG2-CE2 4.01Å; A120-Y122 HydrophobicContact CB-CE2 3.7Å; Y122-M124 PolarHBondContact O-N 2.87Å; Y122-M124 VanDerWaalsContact O-N 3.09Å; Y122-P131 HydrophobicContact CD1-CB 4.31Å; Y122-P131 HydrophobicContact CE1-CB 3.95Å; Y122-F132 HydrophobicContact CD1-CB 3.64Å; Y122-F132 HydrophobicContact CD1-CD2 4.45Å; Y122-F132 HydrophobicContact CD1-CG 4.36Å; Y122-F132 HydrophobicContact CD2-CB 4.02Å; Y122-F132 AromaticContact CD2-CD2 3.27Å; Y122-F132 HydrophobicContact CD2-CD2 3.27Å; Y122-F132 AromaticContact CD2-CE2 3.93Å; Y122-F132 HydrophobicContact CD2-CE2 3.93Å; Y122-F132 AromaticContact CD2-CG 3.84Å; Y122-F132 HydrophobicContact CD2-CG 3.84Å; Y122-F132 HydrophobicContact CE1-CB 4.16Å; Y122-F132 AromaticContact CE2-CD2 3.62Å; Y122-F132 HydrophobicContact CE2-CD2 3.62Å; Y122-F132 HydrophobicContact CE2-CE2 4.33Å; Y122-F132 HydrophobicContact CE2-CG 4.43Å; Y122-F132 HydrophobicContact CG-CB 3.57Å; Y122-F132 AromaticContact CG-CD2 3.76Å; Y122-F132 HydrophobicContact CG-CD2 3.76Å; Y122-F132 AromaticContact CG-CG 3.81Å; Y122-F132 HydrophobicContact CG-CG 3.81Å; Y122-F135 HydrophobicContact CE2-CB 4.17Å; Y122-F135 HydrophobicContact CE2-CD1 4.31Å; Y122-F135 HydrophobicContact CE2-CD2 4.24Å; Y122-F135 HydrophobicContact CE2-CG 4.01Å; Y122-F135 AromaticContact CZ-CD2 3.99Å; Y122-F135 AromaticContact CZ-CG 3.92Å; Y122-F135 WeakPolarHBondContact OH-CB 3.34Å; Y122-F135 WeakPolarHBondContact OH-CD2 3.29Å; Y122-F135 WeakPolarHBondContact OH-CG 3.47Å
123D98.8Very high98.2Very high39 Ų3957.1 Ų57.121%0.20931%0.31CS..  trans-69.7102.4-179.4-175-8.9000110.8R102 W125 A126 G127R102-D123 IonicContact CZ-OD1 3.92Å; R102-D123 IonicContact CZ-OD2 2.75Å; R102-D123 IonicContact NE-OD1 3.98Å; R102-D123 PolarHBondContact NE-OD1 2.88Å; R102-D123 IonicContact NE-OD2 3.93Å; R102-D123 PolarHBondContact NE-OD2 3.16Å; R102-D123 IonicContact NH2-OD1 3.03Å; R102-D123 IonicContact NH2-OD2 2.88Å; R102-D123 PolarHBondContact NH2-OD2 2.92Å; R102-D123 VanDerWaalsContact O-CA 3.31Å; R102-D123 WeakPolarHBondContact O-CA 3.47Å; D123-W125 VanDerWaalsContact C-N 3.28Å; D123-W125 PolarHBondContact O-N 2.83Å; D123-W125 WeakPolarHBondContact OD1-CA 3.41Å; D123-W125 WeakPolarHBondContact OD1-CB 3.4Å; D123-W125 PolarHBondContact OD1-N 2.83Å; D123-A126 PolarHBondContact OD1-N 2.78Å; D123-G127 WeakPolarHBondContact O-CA 3.36Å; D123-G127 PolarHBondContact O-N 2.95Å; D123-G127 VanDerWaalsContact O-N 3.1Å
124M98.7Very high98.4Very high0 Ų060.3 Ų60.30%032%0.318CS..THydrogen-bonded Turntrans-87.57.6179.7-62.3-64.989.300113.5I104 Y122 V129 F132 P153 S155 K156 L157I104-M124 HydrophobicContact CB-CG 4.44Å; I104-M124 HydrophobicContact CD1-CG 3.95Å; I104-M124 HydrophobicContact CG1-CG 3.95Å; Y122-M124 PolarHBondContact O-N 2.87Å; Y122-M124 VanDerWaalsContact O-N 3.09Å; M124-V129 HydrophobicContact SD-CG2 4.41Å; M124-F132 HydrophobicContact CE-CB 4.43Å; M124-F132 HydrophobicContact CE-CD1 4.29Å; M124-F132 HydrophobicContact SD-CD1 3.95Å; M124-F132 HydrophobicContact SD-CE1 4.42Å; M124-P153 VanDerWaalsContact CB-O 3.3Å; M124-P153 WeakPolarHBondContact CB-O 3.41Å; M124-P153 WeakPolarHBondContact CG-O 3.35Å; M124-S155 CarbonylContact O-C 3.59Å; M124-S155 WeakPolarHBondContact O-CA 3.35Å; M124-S155 WeakPolarHBondContact O-CB 3.34Å; M124-S155 PolarHBondContact O-N 3.25Å; M124-S155 VanDerWaalsContact O-N 3.16Å; M124-K156 WeakPolarHBondContact O-CB 3.43Å; M124-K156 VanDerWaalsContact O-CG 3.31Å; M124-K156 WeakPolarHBondContact O-CG 3.5Å; M124-K156 PolarHBondContact O-N 2.91Å; M124-K156 HydrophobicContact SD-CB 4.49Å; M124-L157 HydrophobicContact SD-CD2 3.76Å; M124-L157 HydrophobicContact SD-CG 4.11Å
125W98.4Very high98.5Very high124 Ų12460.3 Ų60.347%0.4732%0.317SS..THydrogen-bonded Turntrans-101.5-59.2172.9173.9-111.5000111.3R102 D123 D152 S155 K156 F178R102-W125 HydrophobicContact CG-CB 4.45Å; D123-W125 VanDerWaalsContact C-N 3.28Å; D123-W125 PolarHBondContact O-N 2.83Å; D123-W125 WeakPolarHBondContact OD1-CA 3.41Å; D123-W125 WeakPolarHBondContact OD1-CB 3.4Å; D123-W125 PolarHBondContact OD1-N 2.83Å; W125-D152 HydrophobicContact CB-CB 4.26Å; W125-D152 HydrophobicContact CE3-CB 4.49Å; W125-S155 VanDerWaalsContact CE3-OG 3.29Å; W125-S155 WeakPolarHBondContact CZ3-OG 3.42Å; W125-K156 WeakPolarHBondContact O-CE 3.36Å; W125-F178 HydrophobicContact CE3-CD2 4.08Å; W125-F178 AromaticContact CE3-CE2 3.64Å; W125-F178 HydrophobicContact CE3-CE2 3.64Å; W125-F178 AromaticContact CH2-CE2 3.82Å; W125-F178 HydrophobicContact CH2-CE2 3.82Å; W125-F178 HydrophobicContact CH2-CZ 4.3Å; W125-F178 AromaticContact CZ3-CD2 3.68Å; W125-F178 HydrophobicContact CZ3-CD2 3.68Å; W125-F178 AromaticContact CZ3-CE2 3.17Å; W125-F178 HydrophobicContact CZ3-CE2 3.17Å; W125-F178 HydrophobicContact CZ3-CZ 4.07Å
126A97.7Very high98.6Very high65 Ų6554.9 Ų54.954%0.53729%0.291SS..THydrogen-bonded Turntrans-109.9-11.6-173.800000113.8D123D123-A126 PolarHBondContact OD1-N 2.78Å
127G97.8Very high98.6Very high23 Ų2356.7 Ų56.724%0.23730%0.296CS..SBendtrans-82178.8-176.700000114.8D123 K156D123-G127 WeakPolarHBondContact O-CA 3.36Å; D123-G127 PolarHBondContact O-N 2.95Å; D123-G127 VanDerWaalsContact O-N 3.1Å; G127-K156 VanDerWaalsContact O-CE 3.28Å; G127-K156 WeakPolarHBondContact O-CE 3.46Å; G127-K156 WeakPolarHBondContact O-CG 3.25Å
128D98.1Very high98.6Very high110 Ų11057.5 Ų57.559%0.58830%0.297SS*.  trans-92.8139.9167.7-172-7.4000109.7A130 P131D128-A130 PolarHBondContact OD1-N 3.32Å; D128-P131 WeakPolarHBondContact O-CD 3.38Å
129V98.6Very high98.6Very high19 Ų1953.2 Ų53.212%0.11528%0.279CS..SBendtrans-79.8-21.7178.371.60000112.5M124 F132 I133 K156 A161M124-V129 HydrophobicContact SD-CG2 4.41Å; V129-F132 WeakPolarHBondContact O-CB 3.38Å; V129-F132 PolarHBondContact O-N 3.07Å; V129-I133 HydrophobicContact CG1-CD1 4.05Å; V129-I133 HydrophobicContact CG2-CD1 4.06Å; V129-I133 HydrophobicContact CG2-CG1 4.19Å; V129-I133 PolarHBondContact O-N 3.3Å; V129-K156 WeakPolarHBondContact CB-O 3.26Å; V129-K156 WeakPolarHBondContact CG2-O 3.36Å; V129-A161 HydrophobicContact CG2-CB 3.93Å
130A98.7Very high98.5Very high51 Ų5158 Ų5842%0.42130%0.298SS..Hα-helixtrans-58.4-43-175.500000114.2D128 F132 I133 K134D128-A130 PolarHBondContact OD1-N 3.32Å; A130-F132 VanDerWaalsContact C-N 3.27Å; A130-F132 PolarHBondContact O-N 2.99Å; A130-I133 PolarHBondContact O-N 2.53Å; A130-K134 PolarHBondContact O-N 3.45Å
131P98.8Very high98.4Very high68 Ų6864 Ų6444%0.44232%0.323SS..Hα-helixtrans-61.3-33.7174-24.535.7000113.5Y122 D128 F135Y122-P131 HydrophobicContact CD1-CB 4.31Å; Y122-P131 HydrophobicContact CE1-CB 3.95Å; D128-P131 WeakPolarHBondContact O-CD 3.38Å; P131-F135 PolarHBondContact O-N 3.1Å; P131-F135 VanDerWaalsContact O-N 3.09Å
132F98.8Very high98.3Very high0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-71.1-44.2177.6-177.2-146.2000111.3I104 I106 Y122 M124 V129 A130 K134 F135 L136 M147 L157 I165I104-F132 HydrophobicContact CB-CZ 4.36Å; I104-F132 HydrophobicContact CD1-CE1 3.72Å; I104-F132 HydrophobicContact CD1-CZ 4.08Å; I104-F132 HydrophobicContact CG2-CZ 3.96Å; I106-F132 HydrophobicContact CD1-CE2 4.34Å; Y122-F132 HydrophobicContact CD1-CB 3.64Å; Y122-F132 HydrophobicContact CD1-CD2 4.45Å; Y122-F132 HydrophobicContact CD1-CG 4.36Å; Y122-F132 HydrophobicContact CD2-CB 4.02Å; Y122-F132 AromaticContact CD2-CD2 3.27Å; Y122-F132 HydrophobicContact CD2-CD2 3.27Å; Y122-F132 AromaticContact CD2-CE2 3.93Å; Y122-F132 HydrophobicContact CD2-CE2 3.93Å; Y122-F132 AromaticContact CD2-CG 3.84Å; Y122-F132 HydrophobicContact CD2-CG 3.84Å; Y122-F132 HydrophobicContact CE1-CB 4.16Å; Y122-F132 AromaticContact CE2-CD2 3.62Å; Y122-F132 HydrophobicContact CE2-CD2 3.62Å; Y122-F132 HydrophobicContact CE2-CE2 4.33Å; Y122-F132 HydrophobicContact CE2-CG 4.43Å; Y122-F132 HydrophobicContact CG-CB 3.57Å; Y122-F132 AromaticContact CG-CD2 3.76Å; Y122-F132 HydrophobicContact CG-CD2 3.76Å; Y122-F132 AromaticContact CG-CG 3.81Å; Y122-F132 HydrophobicContact CG-CG 3.81Å; M124-F132 HydrophobicContact CE-CB 4.43Å; M124-F132 HydrophobicContact CE-CD1 4.29Å; M124-F132 HydrophobicContact SD-CD1 3.95Å; M124-F132 HydrophobicContact SD-CE1 4.42Å; V129-F132 WeakPolarHBondContact O-CB 3.38Å; V129-F132 PolarHBondContact O-N 3.07Å; A130-F132 VanDerWaalsContact C-N 3.27Å; A130-F132 PolarHBondContact O-N 2.99Å; F132-K134 VanDerWaalsContact C-N 3.32Å; F132-K134 PolarHBondContact O-N 3.12Å; F132-F135 WeakPolarHBondContact O-CB 3.4Å; F132-F135 PolarHBondContact O-N 2.76Å; F132-F135 VanDerWaalsContact O-N 3.17Å; F132-L136 HydrophobicContact CD1-CD1 4.26Å; F132-L136 HydrophobicContact CD2-CD1 4.14Å; F132-L136 HydrophobicContact CD2-CD2 4.48Å; F132-L136 HydrophobicContact CD2-CG 3.98Å; F132-L136 HydrophobicContact CE1-CD1 3.99Å; F132-L136 HydrophobicContact CE2-CD1 3.87Å; F132-L136 HydrophobicContact CE2-CD2 3.75Å; F132-L136 HydrophobicContact CE2-CG 3.71Å; F132-L136 HydrophobicContact CG-CD1 4.33Å; F132-L136 HydrophobicContact CZ-CD1 3.79Å; F132-L136 HydrophobicContact CZ-CD2 4.06Å; F132-L136 HydrophobicContact CZ-CG 4.11Å; F132-L136 WeakPolarHBondContact O-CG 3.39Å; F132-L136 PolarHBondContact O-N 2.86Å; F132-M147 HydrophobicContact CZ-SD 4.39Å; F132-L157 HydrophobicContact CD1-CD2 4.33Å; F132-L157 HydrophobicContact CE1-CD2 4Å; F132-I165 HydrophobicContact CE1-CD1 3.77Å; F132-I165 HydrophobicContact CZ-CD1 3.82Å; F132-I165 HydrophobicContact CZ-CG1 4.38Å
133I98.9Very high98.3Very high12 Ų1257.4 Ų57.46%0.06230%0.302CS..Hα-helixtrans-58.5-45174.8-69.9167.8000110.8V129 A130 F135 L136 K137 E160 A161 L164V129-I133 HydrophobicContact CG1-CD1 4.05Å; V129-I133 HydrophobicContact CG2-CD1 4.06Å; V129-I133 HydrophobicContact CG2-CG1 4.19Å; V129-I133 PolarHBondContact O-N 3.3Å; A130-I133 PolarHBondContact O-N 2.53Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 2.68Å; I133-L136 PolarHBondContact O-N 2.93Å; I133-K137 HydrophobicContact CG2-CD 4.21Å; I133-K137 WeakPolarHBondContact O-CG 2.97Å; I133-K137 PolarHBondContact O-N 2.9Å; I133-K137 VanDerWaalsContact O-N 3.08Å; I133-E160 HydrophobicContact CD1-CB 4.28Å; I133-E160 HydrophobicContact CD1-CG 4.35Å; I133-E160 HydrophobicContact CG2-CG 4.18Å; I133-A161 HydrophobicContact CD1-CB 4.37Å; I133-A161 HydrophobicContact CG1-CB 3.91Å; I133-L164 HydrophobicContact CG2-CD1 3.9Å
134K98.8Very high98.3Very high135 Ų13556 Ų5659%0.58730%0.295SS*.Hα-helixtrans-57.9-47.3175.9-178.8177174.71800111.1A130 F132 L136 K137 E138A130-K134 PolarHBondContact O-N 3.45Å; F132-K134 VanDerWaalsContact C-N 3.32Å; F132-K134 PolarHBondContact O-N 3.12Å; K134-L136 PolarHBondContact O-N 3.25Å; K134-K137 PolarHBondContact O-N 3.28Å; K134-E138 WeakPolarHBondContact CE-OE1 3.46Å; K134-E138 WeakPolarHBondContact O-CG 3.45Å; K134-E138 PolarHBondContact O-N 2.71Å
135F98.7Very high98.3Very high6 Ų656 Ų563%0.02630%0.295CS..Hα-helixtrans-59.4-44.8177.3-177.6-80.6000112.6I106 L108 K118 A120 Y122 P131 F132 I133 K137 E138 I139I106-F135 HydrophobicContact CD1-CD1 4.14Å; I106-F135 HydrophobicContact CD1-CE1 3.6Å; I106-F135 HydrophobicContact CG1-CE1 4.05Å; I106-F135 HydrophobicContact CG2-CE1 3.9Å; I106-F135 HydrophobicContact CG2-CZ 4.06Å; L108-F135 HydrophobicContact CD1-CE1 3.66Å; L108-F135 HydrophobicContact CD1-CE2 4.49Å; L108-F135 HydrophobicContact CD1-CZ 3.55Å; L108-F135 HydrophobicContact CD2-CE1 4.08Å; L108-F135 HydrophobicContact CD2-CZ 4.46Å; L108-F135 HydrophobicContact CG-CE1 3.91Å; L108-F135 HydrophobicContact CG-CZ 3.8Å; K118-F135 HydrophobicContact CB-CZ 4.49Å; K118-F135 HydrophobicContact CD-CD2 4.28Å; K118-F135 HydrophobicContact CD-CE2 3.46Å; K118-F135 VanDerWaalsContact CD-CE2 3.46Å; K118-F135 HydrophobicContact CD-CZ 4.1Å; K118-F135 HydrophobicContact CG-CE2 3.89Å; K118-F135 HydrophobicContact CG-CZ 4.27Å; A120-F135 HydrophobicContact CB-CD2 4.38Å; A120-F135 HydrophobicContact CB-CE2 3.81Å; A120-F135 HydrophobicContact CB-CZ 4.23Å; Y122-F135 HydrophobicContact CE2-CB 4.17Å; Y122-F135 HydrophobicContact CE2-CD1 4.31Å; Y122-F135 HydrophobicContact CE2-CD2 4.24Å; Y122-F135 HydrophobicContact CE2-CG 4.01Å; Y122-F135 AromaticContact CZ-CD2 3.99Å; Y122-F135 AromaticContact CZ-CG 3.92Å; Y122-F135 WeakPolarHBondContact OH-CB 3.34Å; Y122-F135 WeakPolarHBondContact OH-CD2 3.29Å; Y122-F135 WeakPolarHBondContact OH-CG 3.47Å; P131-F135 PolarHBondContact O-N 3.1Å; P131-F135 VanDerWaalsContact O-N 3.09Å; F132-F135 WeakPolarHBondContact O-CB 3.4Å; F132-F135 PolarHBondContact O-N 2.76Å; F132-F135 VanDerWaalsContact O-N 3.17Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 2.68Å; F135-K137 VanDerWaalsContact C-N 3.29Å; F135-K137 PolarHBondContact O-N 3.15Å; F135-E138 PolarHBondContact O-N 2.95Å; F135-I139 HydrophobicContact CE1-CD1 4.47Å; F135-I139 WeakPolarHBondContact O-CG1 3.2Å
136L98.8Very high98.3Very high3 Ų350.1 Ų50.12%0.01627%0.272CS..Hα-helixtrans-62.4-35179.2-70.3170.6000112.7I106 F132 I133 K134 E138 I139 M147 L164 I165 L168I106-L136 HydrophobicContact CD1-CD2 4.25Å; F132-L136 HydrophobicContact CD1-CD1 4.26Å; F132-L136 HydrophobicContact CD2-CD1 4.14Å; F132-L136 HydrophobicContact CD2-CD2 4.48Å; F132-L136 HydrophobicContact CD2-CG 3.98Å; F132-L136 HydrophobicContact CE1-CD1 3.99Å; F132-L136 HydrophobicContact CE2-CD1 3.87Å; F132-L136 HydrophobicContact CE2-CD2 3.75Å; F132-L136 HydrophobicContact CE2-CG 3.71Å; F132-L136 HydrophobicContact CG-CD1 4.33Å; F132-L136 HydrophobicContact CZ-CD1 3.79Å; F132-L136 HydrophobicContact CZ-CD2 4.06Å; F132-L136 HydrophobicContact CZ-CG 4.11Å; F132-L136 WeakPolarHBondContact O-CG 3.39Å; F132-L136 PolarHBondContact O-N 2.86Å; I133-L136 PolarHBondContact O-N 2.93Å; K134-L136 PolarHBondContact O-N 3.25Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-I139 HydrophobicContact CD2-CD1 4Å; L136-I139 WeakPolarHBondContact O-CG1 3.42Å; L136-I139 PolarHBondContact O-N 3.22Å; L136-M147 HydrophobicContact CD2-CE 3.88Å; L136-L164 HydrophobicContact CB-CB 4.14Å; L136-L164 HydrophobicContact CB-CD1 4.01Å; L136-L164 HydrophobicContact CD1-CB 3.93Å; L136-L164 HydrophobicContact CD1-CD1 4.31Å; L136-I165 HydrophobicContact CD1-CD1 4.34Å; L136-I165 HydrophobicContact CD1-CG1 3.87Å; L136-I165 HydrophobicContact CD2-CG1 4.21Å; L136-L168 HydrophobicContact CD2-CD1 4.14Å
137K98.6Very high98.4Very high117 Ų11747 Ų4751%0.50925%0.247SC..Hα-helixtrans-70.6-29.7177.2-72.9175.7179.2175.60113.1I133 K134 F135 I139 E160 L164I133-K137 HydrophobicContact CG2-CD 4.21Å; I133-K137 WeakPolarHBondContact O-CG 2.97Å; I133-K137 PolarHBondContact O-N 2.9Å; I133-K137 VanDerWaalsContact O-N 3.08Å; K134-K137 PolarHBondContact O-N 3.28Å; F135-K137 VanDerWaalsContact C-N 3.29Å; F135-K137 PolarHBondContact O-N 3.15Å; K137-I139 VanDerWaalsContact C-N 3.28Å; K137-I139 PolarHBondContact O-N 3.13Å; K137-E160 WeakPolarHBondContact CE-OE1 3.31Å; K137-E160 IonicContact NZ-OE1 3.27Å; K137-E160 PolarHBondContact NZ-OE1 3.44Å; K137-L164 HydrophobicContact CG-CD1 4.06Å; K137-L164 HydrophobicContact CG-CD2 4.24Å
138E98.1Very high98.4Very high108 Ų10846 Ų4651%0.50524%0.235SC..THydrogen-bonded Turntrans-80.3-4.9179.6-69.8171.5-177.800113.3K134 F135 L136 E140K134-E138 WeakPolarHBondContact CE-OE1 3.46Å; K134-E138 WeakPolarHBondContact O-CG 3.45Å; K134-E138 PolarHBondContact O-N 2.71Å; F135-E138 PolarHBondContact O-N 2.95Å; L136-E138 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 2.72Å
139I98.6Very high98.5Very high7 Ų740.7 Ų40.74%0.03621%0.207CC..PPolyproline II helixtrans-69.1119.2178.9-56.2177000110L108 F135 L136 K137 T143 V145 L168 K188L108-I139 HydrophobicContact CD1-CG1 3.98Å; L108-I139 HydrophobicContact CD2-CD1 3.82Å; L108-I139 HydrophobicContact CD2-CG1 4.12Å; L108-I139 HydrophobicContact CD2-CG2 4.42Å; F135-I139 HydrophobicContact CE1-CD1 4.47Å; F135-I139 WeakPolarHBondContact O-CG1 3.2Å; L136-I139 HydrophobicContact CD2-CD1 4Å; L136-I139 WeakPolarHBondContact O-CG1 3.42Å; L136-I139 PolarHBondContact O-N 3.22Å; K137-I139 VanDerWaalsContact C-N 3.28Å; K137-I139 PolarHBondContact O-N 3.13Å; I139-T143 HydrophobicContact CG2-CG2 3.88Å; I139-V145 HydrophobicContact CD1-CG2 4.16Å; I139-V145 HydrophobicContact CG2-CG2 4.11Å; I139-L168 HydrophobicContact CD1-CD1 4.22Å; I139-K188 HydrophobicContact CB-CD 4.43Å; I139-K188 HydrophobicContact CG2-CB 3.8Å; I139-K188 HydrophobicContact CG2-CD 4.35Å; I139-K188 HydrophobicContact CG2-CG 4.2Å; I139-K188 VanDerWaalsContact O-CE 3.3Å; I139-K188 WeakPolarHBondContact O-CE 3.44Å; I139-K188 WeakPolarHBondContact O-CG 3.38Å
140E97.5Very high98.5Very high150 Ų15040.9 Ų40.970%0.70121%0.207SC*.PPolyproline II helixtrans-75.2150.2178.3-62.4-180-177.400112.5E138 T143 K188E138-E140 PolarHBondContact O-N 2.72Å; E140-T143 WeakPolarHBondContact O-CB 3.07Å; E140-T143 PolarHBondContact O-N 3.35Å; E140-T143 PolarHBondContact O-OG1 3.19Å; E140-K188 VanDerWaalsContact O-CB 3.26Å; E140-K188 WeakPolarHBondContact O-CB 3.5Å; E140-K188 WeakPolarHBondContact O-CG 3.06Å
141E97.2Very high98.5Very high145 Ų14539.4 Ų39.468%0.67819%0.192SC*.THydrogen-bonded Turntrans-56.8144.3176.3-72.6-156.315900112.6T143 K188E141-T143 PolarHBondContact O-N 2.81Å; E141-K188 HydrophobicContact CG-CG 4.39Å
142G96.1Very high98.5Very high15 Ų1536.2 Ų36.216%0.15517%0.171CC..THydrogen-bonded Turntrans78.71.1-178.200000114.6G111 K188G111-G142 VanDerWaalsContact CA-O 3.25Å; G111-G142 WeakPolarHBondContact CA-O 3.02Å; G111-G142 PolarHBondContact N-O 2.85Å; G142-K188 PolarHBondContact N-O 2.89Å
143T98.5Very high98.5Very high8 Ų836.2 Ų36.25%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-74.5129.2170.2-58.60000110.8L108 V109 L117 I139 E140 E141 V145 G187 K188L108-T143 HydrophobicContact CB-CG2 3.8Å; L108-T143 HydrophobicContact CD2-CG2 4.06Å; L108-T143 HydrophobicContact CG-CG2 4.36Å; V109-T143 CarbonylContact O-C 3.59Å; V109-T143 WeakPolarHBondContact O-CA 3.49Å; L117-T143 HydrophobicContact CD1-CG2 4.08Å; I139-T143 HydrophobicContact CG2-CG2 3.88Å; E140-T143 WeakPolarHBondContact O-CB 3.07Å; E140-T143 PolarHBondContact O-N 3.35Å; E140-T143 PolarHBondContact O-OG1 3.19Å; E141-T143 PolarHBondContact O-N 2.81Å; T143-V145 HydrophobicContact CG2-CG2 4.35Å; T143-G187 CarbonylContact O-C 3.57Å; T143-G187 WeakPolarHBondContact O-CA 3.3Å; T143-K188 PolarHBondContact O-N 3.23Å
144I98.5Very high98.4Very high11 Ų1135.8 Ų35.86%0.05617%0.169CC..EExtended strand (participates in β ladder)trans-78.1133.8165.5-65.8169.7000108.3M69 L108 V109 M146 V185 V222M69-I144 HydrophobicContact CE-CD1 3.16Å; L108-I144 WeakPolarHBondContact CA-O 3.31Å; V109-I144 HydrophobicContact CB-CB 4.29Å; V109-I144 PolarHBondContact N-O 3.44Å; V109-I144 PolarHBondContact O-N 2.88Å; I144-M146 HydrophobicContact CG2-CG 4.3Å; I144-V185 HydrophobicContact CG2-CG1 3.99Å; I144-V222 HydrophobicContact CD1-CG1 3.81Å; I144-V222 HydrophobicContact CG1-CG1 4.32Å
145V98.8Very high98.4Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-120113.2-177.3-172.30000109.1I106 L108 I139 T143 M147 L168 V185 G186I106-V145 HydrophobicContact CD1-CG1 3.71Å; I106-V145 HydrophobicContact CG1-CG1 3.97Å; L108-V145 HydrophobicContact CD2-CB 4.29Å; L108-V145 HydrophobicContact CD2-CG1 3.9Å; L108-V145 HydrophobicContact CD2-CG2 3.86Å; I139-V145 HydrophobicContact CD1-CG2 4.16Å; I139-V145 HydrophobicContact CG2-CG2 4.11Å; T143-V145 HydrophobicContact CG2-CG2 4.35Å; V145-M147 HydrophobicContact CG1-CE 3.43Å; V145-M147 VanDerWaalsContact CG1-CE 3.43Å; V145-M147 HydrophobicContact CG1-CG 4.09Å; V145-L168 HydrophobicContact CB-CD1 4.31Å; V145-L168 HydrophobicContact CG1-CD1 4.02Å; V145-L168 HydrophobicContact CG2-CD1 4.16Å; V145-L168 HydrophobicContact CG2-CD2 4.16Å; V145-V185 WeakPolarHBondContact O-CA 3.11Å; V145-G186 PolarHBondContact N-O 3.38Å; V145-G186 PolarHBondContact O-N 2.66Å
146M98.9Very high98.4Very high0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-103.5127.3174.7-55.8177.57000108.8F71 L73 M85 L87 L92 I106 A107 I144 F184 V185F71-M146 HydrophobicContact CB-CE 3.97Å; F71-M146 HydrophobicContact CD2-CE 4.27Å; F71-M146 HydrophobicContact CG-CE 4.46Å; L73-M146 HydrophobicContact CD1-CE 4.45Å; M85-M146 HydrophobicContact CB-CE 4.37Å; M85-M146 HydrophobicContact SD-CB 4.28Å; L87-M146 HydrophobicContact CB-SD 4.34Å; L92-M146 HydrophobicContact CD1-SD 3.96Å; I106-M146 CarbonylContact C-O 3.58Å; I106-M146 VanDerWaalsContact CA-O 3.3Å; I106-M146 WeakPolarHBondContact CA-O 3.22Å; A107-M146 HydrophobicContact CB-CB 4.39Å; A107-M146 PolarHBondContact N-O 2.87Å; A107-M146 PolarHBondContact O-N 3.15Å; I144-M146 HydrophobicContact CG2-CG 4.3Å; M146-F184 CarbonylContact C-O 3.45Å; M146-F184 WeakPolarHBondContact CA-O 3.26Å; M146-V185 HydrophobicContact CB-CG2 4.47Å; M146-V185 HydrophobicContact CE-CG2 4.33Å; M146-V185 HydrophobicContact CG-CG1 4.16Å; M146-V185 HydrophobicContact CG-CG2 4.12Å
147M98.9Very high98.4Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-128.9141.6177.1-57.8-168.6-155.900111.8I104 N105 I106 F132 L136 V145 I165 L168 W182 I183 F184I104-M147 HydrophobicContact CG2-CB 4.2Å; I104-M147 HydrophobicContact CG2-CG 4.34Å; I104-M147 HydrophobicContact CG2-SD 3.94Å; N105-M147 CarbonylContact O-C 3.57Å; N105-M147 WeakPolarHBondContact O-CA 3.14Å; I106-M147 HydrophobicContact CB-CG 4.24Å; I106-M147 HydrophobicContact CD1-CE 3.59Å; I106-M147 HydrophobicContact CD1-CG 4.05Å; I106-M147 HydrophobicContact CD1-SD 4.11Å; I106-M147 HydrophobicContact CG1-CG 4Å; F132-M147 HydrophobicContact CZ-SD 4.39Å; L136-M147 HydrophobicContact CD2-CE 3.88Å; V145-M147 HydrophobicContact CG1-CE 3.43Å; V145-M147 VanDerWaalsContact CG1-CE 3.43Å; V145-M147 HydrophobicContact CG1-CG 4.09Å; M147-I165 HydrophobicContact CE-CG1 4.12Å; M147-I165 HydrophobicContact CE-CG2 4.24Å; M147-I165 HydrophobicContact SD-CG1 4.41Å; M147-I165 HydrophobicContact SD-CG2 4.34Å; M147-L168 HydrophobicContact CE-CD1 3.57Å; M147-W182 HydrophobicContact CB-CH2 3.86Å; M147-W182 HydrophobicContact CB-CZ3 3.7Å; M147-W182 HydrophobicContact CG-CH2 4.33Å; M147-W182 HydrophobicContact CG-CZ3 4.46Å; M147-W182 HydrophobicContact SD-CH2 3.69Å; M147-W182 HydrophobicContact SD-CZ3 3.96Å; M147-I183 WeakPolarHBondContact O-CA 3.45Å; M147-F184 HydrophobicContact CB-CB 4.45Å; M147-F184 HydrophobicContact CB-CD1 4.15Å; M147-F184 HydrophobicContact CE-CE1 4.29Å; M147-F184 HydrophobicContact CG-CD1 4.07Å; M147-F184 PolarHBondContact N-O 2.83Å; M147-F184 PolarHBondContact O-N 3.38Å; M147-F184 HydrophobicContact SD-CD1 4.43Å
148A98.9Very high98.4Very high0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-141.2140.2172.400000111.3L73 P83 M85 N105 I183L73-A148 HydrophobicContact CD1-CB 3.97Å; P83-A148 HydrophobicContact CB-CB 3.66Å; P83-A148 HydrophobicContact CG-CB 4.3Å; M85-A148 HydrophobicContact CE-CB 3.57Å; N105-A148 WeakPolarHBondContact CB-O 3.49Å; N105-A148 PolarHBondContact N-O 3.04Å; N105-A148 PolarHBondContact O-N 3.48Å; A148-I183 HydrophobicContact CB-CG2 3.96Å
149S98.9Very high98.4Very high0 Ų035.6 Ų35.60%018%0.184CC..EExtended strand (participates in β ladder)trans-72.9148.5173.860.20000112.1G76 G103 N181 W182G76-S149 PolarHBondContact N-O 2.95Å; G103-S149 CarbonylContact O-C 3.43Å; S149-N181 WeakPolarHBondContact OG-CA 3.42Å; S149-N181 PolarHBondContact OG-OD1 2.95Å; S149-W182 PolarHBondContact N-O 3.46Å; S149-W182 PolarHBondContact OG-N 3.47Å; S149-W182 PolarHBondContact OG-O 2.94Å
150F98.9Very high98.4Very high23 Ų2339.2 Ų39.210%0.10120%0.201CC..EExtended strand (participates in β ladder)trans-139.8125163.7-172.3-162.2000109.7A78 V81 P83 G101 G103 D152A78-F150 WeakPolarHBondContact O-CD2 3.34Å; A78-F150 WeakPolarHBondContact O-CE2 3.38Å; V81-F150 VanDerWaalsContact O-CE2 3.26Å; V81-F150 WeakPolarHBondContact O-CE2 3.45Å; P83-F150 HydrophobicContact CG-CB 4.31Å; G101-F150 VanDerWaalsContact C-CD1 3.43Å; G101-F150 WeakPolarHBondContact O-CB 3.34Å; G101-F150 WeakPolarHBondContact O-CD1 3.48Å; G103-F150 PolarHBondContact N-O 3.5Å; G103-F150 PolarHBondContact O-N 2.97Å; F150-D152 PolarHBondContact O-N 3.15Å
151D98.8Very high98.5Very high19 Ų1932.1 Ų32.110%0.10217%0.167CC..SBendtrans62.3-80.2-175.4-179.218000114A78 R102 R179 W212A78-D151 WeakPolarHBondContact O-CA 3.3Å; A78-D151 PolarHBondContact O-N 2.97Å; R102-D151 WeakPolarHBondContact CD-OD2 3.33Å; R102-D151 HydrophobicContact CG-CB 3.99Å; D151-R179 WeakPolarHBondContact O-CA 3.31Å; D151-R179 WeakPolarHBondContact O-CG 3.39Å; D151-R179 IonicContact OD1-NE 2.77Å; D151-W212 PolarHBondContact O-NE1 2.81Å; D151-W212 WeakPolarHBondContact OD1-CZ2 3.31Å; D151-W212 PolarHBondContact OD1-NE1 3.02Å
152D98.8Very high98.6Very high1 Ų127.2 Ų27.21%0.00514%0.143CC..  trans-136.4112.6178174.747.7000112.2G103 W125 F150 A154 S155 F178 R179G103-D152 VanDerWaalsContact CA-O 3.31Å; G103-D152 WeakPolarHBondContact CA-O 3.35Å; W125-D152 HydrophobicContact CB-CB 4.26Å; W125-D152 HydrophobicContact CE3-CB 4.49Å; F150-D152 PolarHBondContact O-N 3.15Å; D152-A154 PolarHBondContact OD1-N 3.28Å; D152-S155 WeakPolarHBondContact OD2-CB 3.44Å; D152-S155 PolarHBondContact OD2-N 2.55Å; D152-S155 PolarHBondContact OD2-OG 3.18Å; D152-F178 HydrophobicContact CB-CD2 4.34Å; D152-F178 HydrophobicContact CB-CE2 4.36Å; D152-F178 WeakPolarHBondContact OD1-CA 3.3Å; D152-R179 HydrophobicContact CB-CG 4.17Å; D152-R179 PolarHBondContact OD1-N 3.09Å
153P98.6Very high98.7Very high0 Ų033.2 Ų33.20%016%0.164CC..SBendtrans-91.7-2179.937.8-36.9000114.2I104 M124 L157 L176 D180I104-P153 HydrophobicContact CD1-CB 4.43Å; I104-P153 HydrophobicContact CG1-CB 3.77Å; M124-P153 VanDerWaalsContact CB-O 3.3Å; M124-P153 WeakPolarHBondContact CB-O 3.41Å; M124-P153 WeakPolarHBondContact CG-O 3.35Å; P153-L157 VanDerWaalsContact O-CD1 3.25Å; P153-L157 WeakPolarHBondContact O-CD1 3.4Å; P153-L157 WeakPolarHBondContact O-CG 3.25Å; P153-L176 HydrophobicContact CB-CD2 3.85Å; P153-L176 HydrophobicContact CG-CD1 4.44Å; P153-L176 HydrophobicContact CG-CD2 3.7Å; P153-L176 HydrophobicContact CG-CG 4.06Å; P153-D180 WeakPolarHBondContact CD-O 3.43Å; P153-D180 VanDerWaalsContact CG-O 3.24Å; P153-D180 WeakPolarHBondContact CG-O 3.32Å
154A98.6Very high98.7Very high4 Ų434.2 Ų34.23%0.03317%0.169CC..SBendtrans-121-29-159.200000117D152 K156 L157 L176 A177D152-A154 PolarHBondContact OD1-N 3.28Å; A154-K156 PolarHBondContact O-N 2.88Å; A154-K156 VanDerWaalsContact O-N 3.07Å; A154-L157 WeakPolarHBondContact O-CB 3.46Å; A154-L157 PolarHBondContact O-N 2.97Å; A154-L176 HydrophobicContact CB-CG 4.39Å; A154-L176 WeakPolarHBondContact CB-O 3.49Å; A154-A177 WeakPolarHBondContact CB-O 3.36Å
155S98.6Very high98.7Very high58 Ų5833.7 Ų33.741%0.40617%0.167SC..THydrogen-bonded Turntrans-62-26.6-164.9-58.70000114.9M124 W125 D152 F178M124-S155 CarbonylContact O-C 3.59Å; M124-S155 WeakPolarHBondContact O-CA 3.35Å; M124-S155 WeakPolarHBondContact O-CB 3.34Å; M124-S155 PolarHBondContact O-N 3.25Å; M124-S155 VanDerWaalsContact O-N 3.16Å; W125-S155 VanDerWaalsContact CE3-OG 3.29Å; W125-S155 WeakPolarHBondContact CZ3-OG 3.42Å; D152-S155 WeakPolarHBondContact OD2-CB 3.44Å; D152-S155 PolarHBondContact OD2-N 2.55Å; D152-S155 PolarHBondContact OD2-OG 3.18Å; S155-F178 WeakPolarHBondContact OG-CD2 3.39Å
156K98.6Very high98.7Very high96 Ų9635.6 Ų35.642%0.41718%0.183SC..THydrogen-bonded Turntrans-104.3-2.1177.2-63.1-65.3-161.8178.10114M124 W125 G127 V129 A154 N158M124-K156 WeakPolarHBondContact O-CB 3.43Å; M124-K156 VanDerWaalsContact O-CG 3.31Å; M124-K156 WeakPolarHBondContact O-CG 3.5Å; M124-K156 PolarHBondContact O-N 2.91Å; M124-K156 HydrophobicContact SD-CB 4.49Å; W125-K156 WeakPolarHBondContact O-CE 3.36Å; G127-K156 VanDerWaalsContact O-CE 3.28Å; G127-K156 WeakPolarHBondContact O-CE 3.46Å; G127-K156 WeakPolarHBondContact O-CG 3.25Å; V129-K156 WeakPolarHBondContact CB-O 3.26Å; V129-K156 WeakPolarHBondContact CG2-O 3.36Å; A154-K156 PolarHBondContact O-N 2.88Å; A154-K156 VanDerWaalsContact O-N 3.07Å; K156-N158 PolarHBondContact O-N 3.43Å
157L98.3Very high98.7Very high15 Ų1540 Ų408%0.07921%0.206CC..  trans-67.8123.7176.8-77.3-179.6000110.8I104 M124 F132 P153 A154 A161 R162 I165 V173 L176I104-L157 HydrophobicContact CD1-CD1 4.12Å; I104-L157 HydrophobicContact CD1-CD2 3.95Å; I104-L157 HydrophobicContact CD1-CG 4.34Å; M124-L157 HydrophobicContact SD-CD2 3.76Å; M124-L157 HydrophobicContact SD-CG 4.11Å; F132-L157 HydrophobicContact CD1-CD2 4.33Å; F132-L157 HydrophobicContact CE1-CD2 4Å; P153-L157 VanDerWaalsContact O-CD1 3.25Å; P153-L157 WeakPolarHBondContact O-CD1 3.4Å; P153-L157 WeakPolarHBondContact O-CG 3.25Å; A154-L157 WeakPolarHBondContact O-CB 3.46Å; A154-L157 PolarHBondContact O-N 2.97Å; L157-A161 HydrophobicContact CD2-CB 3.86Å; L157-R162 HydrophobicContact CB-CG 4.28Å; L157-I165 HydrophobicContact CD2-CD1 4.38Å; L157-V173 HydrophobicContact CD1-CG2 4.44Å; L157-L176 HydrophobicContact CD1-CD2 4.13Å
158N98.4Very high98.7Very high58 Ų5840.1 Ų40.131%0.3121%0.207SC..  trans-103173.8172.3713.9000111.6K156 E160 A161 R162K156-N158 PolarHBondContact O-N 3.43Å; N158-E160 PolarHBondContact O-N 2.92Å; N158-E160 PolarHBondContact OD1-N 3.01Å; N158-A161 PolarHBondContact O-N 2.86Å; N158-A161 WeakPolarHBondContact OD1-CB 3.31Å; N158-A161 PolarHBondContact OD1-N 3.26Å; N158-R162 VanDerWaalsContact O-CG 3.31Å; N158-R162 WeakPolarHBondContact O-CG 3.49Å; N158-R162 PolarHBondContact O-N 2.93Å
159D98.7Very high98.7Very high137 Ų13740.3 Ų40.373%0.73321%0.209SC*.Hα-helixtrans-59.5-33.9-177.5-63.5-18.4000113K163D159-K163 VanDerWaalsContact O-CB 3.25Å; D159-K163 WeakPolarHBondContact O-CB 3.35Å; D159-K163 PolarHBondContact O-N 2.88Å
160E98.7Very high98.7Very high84 Ų8440.7 Ų40.739%0.39321%0.212SC..Hα-helixtrans-67-49.8177.6-176.8177.3-168.300111.7I133 K137 N158 R162 K163 L164I133-E160 HydrophobicContact CD1-CB 4.28Å; I133-E160 HydrophobicContact CD1-CG 4.35Å; I133-E160 HydrophobicContact CG2-CG 4.18Å; K137-E160 WeakPolarHBondContact CE-OE1 3.31Å; K137-E160 IonicContact NZ-OE1 3.27Å; K137-E160 PolarHBondContact NZ-OE1 3.44Å; N158-E160 PolarHBondContact O-N 2.92Å; N158-E160 PolarHBondContact OD1-N 3.01Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.2Å; E160-K163 PolarHBondContact O-N 3.46Å; E160-L164 HydrophobicContact CG-CD1 4.15Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 3.06Å
161A98.8Very high98.6Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-60.5-43.8176.700000111V129 I133 L157 N158 K163 L164 I165V129-A161 HydrophobicContact CG2-CB 3.93Å; I133-A161 HydrophobicContact CD1-CB 4.37Å; I133-A161 HydrophobicContact CG1-CB 3.91Å; L157-A161 HydrophobicContact CD2-CB 3.86Å; N158-A161 PolarHBondContact O-N 2.86Å; N158-A161 WeakPolarHBondContact OD1-CB 3.31Å; N158-A161 PolarHBondContact OD1-N 3.26Å; A161-K163 PolarHBondContact O-N 2.93Å; A161-L164 PolarHBondContact O-N 3.3Å; A161-I165 WeakPolarHBondContact O-CD1 3.09Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.42Å; A161-I165 PolarHBondContact O-N 3.04Å
162R98.8Very high98.6Very high43 Ų4342.2 Ų42.216%0.16223%0.227CC..Hα-helixtrans-60.7-44.6176.9-69176.2-173.5-89.13.1111.5L157 N158 E160 I165 A166 V173 L176L157-R162 HydrophobicContact CB-CG 4.28Å; N158-R162 VanDerWaalsContact O-CG 3.31Å; N158-R162 WeakPolarHBondContact O-CG 3.49Å; N158-R162 PolarHBondContact O-N 2.93Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.2Å; R162-I165 PolarHBondContact O-N 3.28Å; R162-A166 WeakPolarHBondContact O-CB 3.31Å; R162-A166 PolarHBondContact O-N 2.95Å; R162-V173 HydrophobicContact CB-CG2 4.48Å; R162-V173 HydrophobicContact CG-CG2 4.3Å; R162-V173 PolarHBondContact NH1-O 2.96Å; R162-V173 WeakPolarHBondContact O-CG1 3.24Å; R162-L176 PolarHBondContact NH1-O 3.47Å; R162-L176 PolarHBondContact NH2-O 2.88Å
163K98.8Very high98.6Very high140 Ų14042.1 Ų42.161%0.60923%0.227SC*.Hα-helixtrans-62-46.5176.5-176.6178.2178.6-178.90111.8D159 E160 A161 I165 A166 D167D159-K163 VanDerWaalsContact O-CB 3.25Å; D159-K163 WeakPolarHBondContact O-CB 3.35Å; D159-K163 PolarHBondContact O-N 2.88Å; E160-K163 PolarHBondContact O-N 3.46Å; A161-K163 PolarHBondContact O-N 2.93Å; K163-I165 VanDerWaalsContact C-N 3.28Å; K163-I165 PolarHBondContact O-N 3.36Å; K163-A166 WeakPolarHBondContact O-CB 3.48Å; K163-A166 PolarHBondContact O-N 2.94Å; K163-A166 VanDerWaalsContact O-N 3.15Å; K163-D167 VanDerWaalsContact O-CG 3.28Å; K163-D167 PolarHBondContact O-N 2.79Å
164L98.8Very high98.5Very high29 Ų2945.1 Ų45.115%0.15225%0.251CS..Hα-helixtrans-60.3-38.2178.5-73.3168.7000112.2I133 L136 K137 E160 A161 L168I133-L164 HydrophobicContact CG2-CD1 3.9Å; L136-L164 HydrophobicContact CB-CB 4.14Å; L136-L164 HydrophobicContact CB-CD1 4.01Å; L136-L164 HydrophobicContact CD1-CB 3.93Å; L136-L164 HydrophobicContact CD1-CD1 4.31Å; K137-L164 HydrophobicContact CG-CD1 4.06Å; K137-L164 HydrophobicContact CG-CD2 4.24Å; E160-L164 HydrophobicContact CG-CD1 4.15Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 3.06Å; A161-L164 PolarHBondContact O-N 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å
165I98.8Very high98.4Very high0 Ų051.3 Ų51.30%028%0.284CS..Hα-helixtrans-73.9-36.9176.1-61.3163.4000111.1I104 F132 L136 M147 L157 A161 R162 K163 D167 L168 S170 V173 W182I104-I165 HydrophobicContact CD1-CD1 4.47Å; F132-I165 HydrophobicContact CE1-CD1 3.77Å; F132-I165 HydrophobicContact CZ-CD1 3.82Å; F132-I165 HydrophobicContact CZ-CG1 4.38Å; L136-I165 HydrophobicContact CD1-CD1 4.34Å; L136-I165 HydrophobicContact CD1-CG1 3.87Å; L136-I165 HydrophobicContact CD2-CG1 4.21Å; M147-I165 HydrophobicContact CE-CG1 4.12Å; M147-I165 HydrophobicContact CE-CG2 4.24Å; M147-I165 HydrophobicContact SD-CG1 4.41Å; M147-I165 HydrophobicContact SD-CG2 4.34Å; L157-I165 HydrophobicContact CD2-CD1 4.38Å; A161-I165 WeakPolarHBondContact O-CD1 3.09Å; A161-I165 VanDerWaalsContact O-CG1 3.26Å; A161-I165 WeakPolarHBondContact O-CG1 3.42Å; A161-I165 PolarHBondContact O-N 3.04Å; R162-I165 PolarHBondContact O-N 3.28Å; K163-I165 VanDerWaalsContact C-N 3.28Å; K163-I165 PolarHBondContact O-N 3.36Å; I165-D167 VanDerWaalsContact C-N 3.29Å; I165-D167 PolarHBondContact O-N 2.96Å; I165-L168 WeakPolarHBondContact O-CB 3.4Å; I165-L168 PolarHBondContact O-N 3.05Å; I165-S170 PolarHBondContact O-N 3.03Å; I165-V173 HydrophobicContact CB-CB 4.29Å; I165-V173 HydrophobicContact CB-CG1 4.03Å; I165-V173 HydrophobicContact CB-CG2 3.87Å; I165-V173 HydrophobicContact CD1-CG2 3.79Å; I165-V173 HydrophobicContact CG1-CG2 4.45Å; I165-V173 HydrophobicContact CG2-CB 3.87Å; I165-V173 HydrophobicContact CG2-CG1 3.91Å; I165-V173 HydrophobicContact CG2-CG2 3.78Å; I165-W182 HydrophobicContact CG2-CH2 3.76Å; I165-W182 HydrophobicContact CG2-CZ2 4.08Å
166A98.7Very high98.4Very high41 Ų4148.6 Ų48.634%0.33927%0.265SS..Hα-helixtrans-61.5-38.9174.100000111.6R162 K163 L168 G169 S170 V173R162-A166 WeakPolarHBondContact O-CB 3.31Å; R162-A166 PolarHBondContact O-N 2.95Å; K163-A166 WeakPolarHBondContact O-CB 3.48Å; K163-A166 PolarHBondContact O-N 2.94Å; K163-A166 VanDerWaalsContact O-N 3.15Å; A166-L168 PolarHBondContact O-N 2.77Å; A166-G169 WeakPolarHBondContact O-CA 3.28Å; A166-G169 PolarHBondContact O-N 3.21Å; A166-S170 WeakPolarHBondContact CA-O 3.43Å; A166-S170 PolarHBondContact O-N 3.23Å; A166-V173 HydrophobicContact CB-CG1 4.08Å
167D98.5Very high98.4Very high92 Ų9245.9 Ų45.949%0.49226%0.26SS..THydrogen-bonded Turntrans-64.8-16.7174.5-68.3-17.7000113K163 I165 G169K163-D167 VanDerWaalsContact O-CG 3.28Å; K163-D167 PolarHBondContact O-N 2.79Å; I165-D167 VanDerWaalsContact C-N 3.29Å; I165-D167 PolarHBondContact O-N 2.96Å; D167-G169 VanDerWaalsContact C-N 3.29Å
168L98.7Very high98.4Very high3 Ų348.9 Ų48.92%0.01627%0.273CS..THydrogen-bonded Turntrans-85.6-1.4170.6-58.4172.6000113L136 I139 V145 M147 L164 I165 A166 F184 G186 G187 K188 I190L136-L168 HydrophobicContact CD2-CD1 4.14Å; I139-L168 HydrophobicContact CD1-CD1 4.22Å; V145-L168 HydrophobicContact CB-CD1 4.31Å; V145-L168 HydrophobicContact CG1-CD1 4.02Å; V145-L168 HydrophobicContact CG2-CD1 4.16Å; V145-L168 HydrophobicContact CG2-CD2 4.16Å; M147-L168 HydrophobicContact CE-CD1 3.57Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; I165-L168 WeakPolarHBondContact O-CB 3.4Å; I165-L168 PolarHBondContact O-N 3.05Å; A166-L168 PolarHBondContact O-N 2.77Å; L168-F184 HydrophobicContact CB-CE1 4.19Å; L168-F184 HydrophobicContact CB-CZ 3.9Å; L168-F184 WeakPolarHBondContact O-CZ 3.15Å; L168-G186 WeakPolarHBondContact O-CA 3.23Å; L168-G187 PolarHBondContact O-N 2.91Å; L168-G187 VanDerWaalsContact O-N 3.08Å; L168-K188 HydrophobicContact CD2-CB 4.1Å; L168-K188 HydrophobicContact CD2-CD 3.79Å; L168-I190 VanDerWaalsContact C-CG2 3.42Å; L168-I190 WeakPolarHBondContact O-CG2 3.47Å
169G98.5Very high98.5Very high4 Ų448.8 Ų48.84%0.04127%0.268CS..THydrogen-bonded Turntrans107.86.4176.100000115.1A166 D167 K193 T194A166-G169 WeakPolarHBondContact O-CA 3.28Å; A166-G169 PolarHBondContact O-N 3.21Å; D167-G169 VanDerWaalsContact C-N 3.29Å; G169-K193 WeakPolarHBondContact O-CA 3.41Å; G169-T194 PolarHBondContact O-N 3.49Å
170S98.7Very high98.5Very high8 Ų842.3 Ų42.36%0.05623%0.234CC..  trans-75.5137.4178.9175.10000111.9I165 A166 V173 E197I165-S170 PolarHBondContact O-N 3.03Å; A166-S170 WeakPolarHBondContact CA-O 3.43Å; A166-S170 PolarHBondContact O-N 3.23Å; S170-V173 VanDerWaalsContact OG-CB 3.24Å; S170-V173 WeakPolarHBondContact OG-CB 3.49Å; S170-V173 VanDerWaalsContact OG-CG1 3.31Å; S170-V173 WeakPolarHBondContact OG-CG1 3.49Å; S170-V173 PolarHBondContact OG-N 3.3Å; S170-V173 VanDerWaalsContact OG-N 3.1Å; S170-E197 WeakPolarHBondContact CB-OE1 3.34Å; S170-E197 PolarHBondContact OG-OE1 3.44Å
171S98Very high98.5Very high57 Ų5738.5 Ų38.540%0.39922%0.216SC..SBendtrans-105.1-30.917267.40000112.7E197S171-E197 WeakPolarHBondContact CA-OE2 3.42Å; S171-E197 WeakPolarHBondContact CB-OE2 3.31Å; S171-E197 PolarHBondContact N-OE2 3.47Å; S171-E197 PolarHBondContact OG-OE2 3.3Å
172A98.1Very high98.5Very high16 Ų1638.5 Ų38.513%0.13222%0.216CC..SBendtrans-79.4-27.3-177.300000113A174 N175 L176 E197 H199A172-A174 PolarHBondContact O-N 3.39Å; A172-N175 PolarHBondContact O-N 2.96Å; A172-L176 PolarHBondContact O-N 3.42Å; A172-E197 HydrophobicContact CB-CG 4.26Å; A172-E197 WeakPolarHBondContact CB-OE1 3.34Å; A172-E197 PolarHBondContact N-OE1 2.95Å; A172-E197 PolarHBondContact N-OE2 2.98Å; A172-E197 VanDerWaalsContact N-OE2 3.15Å; A172-H199 HydrophobicContact CB-CB 4.02Å
173V98.5Very high98.5Very high0 Ų036.4 Ų36.40%021%0.208CC..G310 helixtrans-59.7-26.2-17472.40000113.7L157 R162 I165 A166 S170 N175L157-V173 HydrophobicContact CD1-CG2 4.44Å; R162-V173 HydrophobicContact CB-CG2 4.48Å; R162-V173 HydrophobicContact CG-CG2 4.3Å; R162-V173 PolarHBondContact NH1-O 2.96Å; R162-V173 WeakPolarHBondContact O-CG1 3.24Å; I165-V173 HydrophobicContact CB-CB 4.29Å; I165-V173 HydrophobicContact CB-CG1 4.03Å; I165-V173 HydrophobicContact CB-CG2 3.87Å; I165-V173 HydrophobicContact CD1-CG2 3.79Å; I165-V173 HydrophobicContact CG1-CG2 4.45Å; I165-V173 HydrophobicContact CG2-CB 3.87Å; I165-V173 HydrophobicContact CG2-CG1 3.91Å; I165-V173 HydrophobicContact CG2-CG2 3.78Å; A166-V173 HydrophobicContact CB-CG1 4.08Å; S170-V173 VanDerWaalsContact OG-CB 3.24Å; S170-V173 WeakPolarHBondContact OG-CB 3.49Å; S170-V173 VanDerWaalsContact OG-CG1 3.31Å; S170-V173 WeakPolarHBondContact OG-CG1 3.49Å; S170-V173 PolarHBondContact OG-N 3.3Å; S170-V173 VanDerWaalsContact OG-N 3.1Å; V173-N175 PolarHBondContact O-N 3.49Å
174A97.5Very high98.5Very high62 Ų6229.8 Ų29.851%0.51218%0.179SC..G310 helixtrans-60.5-33.1176.200000112.3A172A172-A174 PolarHBondContact O-N 3.39Å
175N97.1Very high98.5Very high134 Ų13428.5 Ų28.572%0.71717%0.172SC*.G310 helixtrans-1145.7-173.3-61.1-45.7000113.5A172 V173 A177A172-N175 PolarHBondContact O-N 2.96Å; V173-N175 PolarHBondContact O-N 3.49Å; N175-A177 PolarHBondContact O-N 3.22Å
176L98.3Very high98.5Very high2 Ų228.9 Ų28.91%0.0118%0.177CC..  trans-61124.7-177.7-163.269000110.6P153 A154 L157 R162 A172 D180 W182P153-L176 HydrophobicContact CB-CD2 3.85Å; P153-L176 HydrophobicContact CG-CD1 4.44Å; P153-L176 HydrophobicContact CG-CD2 3.7Å; P153-L176 HydrophobicContact CG-CG 4.06Å; A154-L176 HydrophobicContact CB-CG 4.39Å; A154-L176 WeakPolarHBondContact CB-O 3.49Å; L157-L176 HydrophobicContact CD1-CD2 4.13Å; R162-L176 PolarHBondContact NH1-O 3.47Å; R162-L176 PolarHBondContact NH2-O 2.88Å; A172-L176 PolarHBondContact O-N 3.42Å; L176-D180 HydrophobicContact CD1-CB 3.69Å; L176-D180 HydrophobicContact CG-CB 4.4Å; L176-W182 HydrophobicContact CD1-CB 3.52Å; L176-W182 HydrophobicContact CD1-CG 3.92Å; L176-W182 HydrophobicContact CD2-CB 4.32Å; L176-W182 HydrophobicContact CD2-CD2 4.22Å; L176-W182 HydrophobicContact CD2-CE3 4.07Å; L176-W182 HydrophobicContact CD2-CG 4.36Å
177A98.6Very high98.4Very high38 Ų3827.6 Ų27.631%0.31417%0.167SC..  trans-120175.7-17300000112.5A154 N175 R179 D180A154-A177 WeakPolarHBondContact CB-O 3.36Å; N175-A177 PolarHBondContact O-N 3.22Å; A177-R179 PolarHBondContact O-N 3.13Å; A177-D180 WeakPolarHBondContact CB-OD2 3.12Å; A177-D180 PolarHBondContact N-OD2 3.2Å; A177-D180 WeakPolarHBondContact O-CB 3.39Å; A177-D180 PolarHBondContact O-N 3.27Å
178F98.7Very high98.4Very high79 Ų7925.9 Ų25.935%0.34616%0.155SC..THydrogen-bonded Turntrans-52.4120-174.6172.7-112.5000112.6W125 D152 S155 D180 N202W125-F178 HydrophobicContact CE3-CD2 4.08Å; W125-F178 AromaticContact CE3-CE2 3.64Å; W125-F178 HydrophobicContact CE3-CE2 3.64Å; W125-F178 AromaticContact CH2-CE2 3.82Å; W125-F178 HydrophobicContact CH2-CE2 3.82Å; W125-F178 HydrophobicContact CH2-CZ 4.3Å; W125-F178 AromaticContact CZ3-CD2 3.68Å; W125-F178 HydrophobicContact CZ3-CD2 3.68Å; W125-F178 AromaticContact CZ3-CE2 3.17Å; W125-F178 HydrophobicContact CZ3-CE2 3.17Å; W125-F178 HydrophobicContact CZ3-CZ 4.07Å; D152-F178 HydrophobicContact CB-CD2 4.34Å; D152-F178 HydrophobicContact CB-CE2 4.36Å; D152-F178 WeakPolarHBondContact OD1-CA 3.3Å; S155-F178 WeakPolarHBondContact OG-CD2 3.39Å; F178-D180 PolarHBondContact O-N 2.85Å; F178-N202 VanDerWaalsContact O-CB 3.23Å; F178-N202 WeakPolarHBondContact O-CB 3.36Å; F178-N202 PolarHBondContact O-ND2 2.95Å
179R98.6Very high98.2Very high55 Ų5527.1 Ų27.121%0.20817%0.169CC..THydrogen-bonded Turntrans59.117-178.2-58.3177.5171.5177.72.5116.2D151 D152 A177 N181 N202 G211 W212 P213D151-R179 WeakPolarHBondContact O-CA 3.31Å; D151-R179 WeakPolarHBondContact O-CG 3.39Å; D151-R179 IonicContact OD1-NE 2.77Å; D152-R179 HydrophobicContact CB-CG 4.17Å; D152-R179 PolarHBondContact OD1-N 3.09Å; A177-R179 PolarHBondContact O-N 3.13Å; R179-N181 PolarHBondContact O-N 3.09Å; R179-N202 HydrophobicContact CB-CB 4.23Å; R179-G211 WeakPolarHBondContact CD-O 3.45Å; R179-G211 PolarHBondContact NH1-O 2.95Å; R179-W212 VanDerWaalsContact CZ-CE2 3.4Å; R179-W212 VanDerWaalsContact NH1-CH2 3.31Å; R179-W212 VanDerWaalsContact NH2-CH2 3.28Å; R179-P213 WeakPolarHBondContact O-CD 3.39Å; R179-P213 WeakPolarHBondContact O-CG 3.2Å
180D98.7Very high98.1Very high2 Ų229.7 Ų29.71%0.01118%0.181CC..  trans-58.2139.3167-72.4-3.7000109.4P153 L176 A177 F178 H199 I200 K201 N202P153-D180 WeakPolarHBondContact CD-O 3.43Å; P153-D180 VanDerWaalsContact CG-O 3.24Å; P153-D180 WeakPolarHBondContact CG-O 3.32Å; L176-D180 HydrophobicContact CD1-CB 3.69Å; L176-D180 HydrophobicContact CG-CB 4.4Å; A177-D180 WeakPolarHBondContact CB-OD2 3.12Å; A177-D180 PolarHBondContact N-OD2 3.2Å; A177-D180 WeakPolarHBondContact O-CB 3.39Å; A177-D180 PolarHBondContact O-N 3.27Å; F178-D180 PolarHBondContact O-N 2.85Å; D180-H199 WeakPolarHBondContact CB-NE2 3.27Å; D180-H199 VanDerWaalsContact CG-NE2 3.29Å; D180-H199 IonicContact OD2-CD2 3.69Å; D180-H199 IonicContact OD2-CE1 3.83Å; D180-H199 IonicContact OD2-NE2 3.6Å; D180-H199 PolarHBondContact OD2-NE2 2.79Å; D180-I200 WeakPolarHBondContact CA-O 3.24Å; D180-K201 VanDerWaalsContact OD1-CA 3.3Å; D180-K201 WeakPolarHBondContact OD1-CA 3.02Å; D180-N202 PolarHBondContact OD1-N 3.5Å
181N98.7Very high97.8Very high3 Ų338.2 Ų38.22%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-87134.8167.1-97-20.1000109.3S75 G76 S149 R179 H199 I200 P213 E214 L216S75-N181 VanDerWaalsContact OG-CG 3.23Å; S75-N181 PolarHBondContact OG-ND2 2.76Å; S75-N181 VanDerWaalsContact OG-ND2 3.15Å; S75-N181 PolarHBondContact OG-OD1 3.49Å; G76-N181 PolarHBondContact O-ND2 2.87Å; S149-N181 WeakPolarHBondContact OG-CA 3.42Å; S149-N181 PolarHBondContact OG-OD1 2.95Å; R179-N181 PolarHBondContact O-N 3.09Å; N181-H199 CarbonylContact O-C 3.6Å; N181-H199 WeakPolarHBondContact O-CA 3.32Å; N181-H199 PolarHBondContact O-CD2 3.06Å; N181-I200 PolarHBondContact N-O 3.12Å; N181-I200 PolarHBondContact O-N 3.16Å; N181-P213 HydrophobicContact CB-CG 3.94Å; N181-E214 PolarHBondContact ND2-O 3.34Å; N181-L216 HydrophobicContact CB-CD1 4.07Å; N181-L216 HydrophobicContact CB-CG 4.32Å; N181-L216 VanDerWaalsContact O-CD1 3.27Å; N181-L216 WeakPolarHBondContact O-CD1 3.33Å
182W98.9Very high97.6Very high0 Ų040.2 Ų40.20%023%0.227CC..EExtended strand (participates in β ladder)trans-148.9134.7-176.8172.969.9000110.6I104 M147 S149 I165 L176 F184 E197 Q198I104-W182 HydrophobicContact CD1-CZ3 4.49Å; I104-W182 HydrophobicContact CG2-CZ3 4.44Å; M147-W182 HydrophobicContact CB-CH2 3.86Å; M147-W182 HydrophobicContact CB-CZ3 3.7Å; M147-W182 HydrophobicContact CG-CH2 4.33Å; M147-W182 HydrophobicContact CG-CZ3 4.46Å; M147-W182 HydrophobicContact SD-CH2 3.69Å; M147-W182 HydrophobicContact SD-CZ3 3.96Å; S149-W182 PolarHBondContact N-O 3.46Å; S149-W182 PolarHBondContact OG-N 3.47Å; S149-W182 PolarHBondContact OG-O 2.94Å; I165-W182 HydrophobicContact CG2-CH2 3.76Å; I165-W182 HydrophobicContact CG2-CZ2 4.08Å; L176-W182 HydrophobicContact CD1-CB 3.52Å; L176-W182 HydrophobicContact CD1-CG 3.92Å; L176-W182 HydrophobicContact CD2-CB 4.32Å; L176-W182 HydrophobicContact CD2-CD2 4.22Å; L176-W182 HydrophobicContact CD2-CE3 4.07Å; L176-W182 HydrophobicContact CD2-CG 4.36Å; W182-F184 HydrophobicContact CD2-CB 4.35Å; W182-F184 HydrophobicContact CH2-CB 3.78Å; W182-F184 HydrophobicContact CH2-CD1 4.05Å; W182-F184 HydrophobicContact CH2-CG 4.04Å; W182-F184 HydrophobicContact CZ2-CB 3.22Å; W182-F184 HydrophobicContact CZ2-CD1 4Å; W182-F184 HydrophobicContact CZ2-CD2 4.11Å; W182-F184 AromaticContact CZ2-CG 3.53Å; W182-F184 HydrophobicContact CZ2-CG 3.53Å; W182-E197 PolarHBondContact NE1-OE1 2.93Å; W182-Q198 WeakPolarHBondContact CA-O 3.18Å
183I98.9Very high97.6Very high0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-133.6141.2173.756.3177000109.4L73 M147 A148 E197 Q198 L216 M218L73-I183 HydrophobicContact CD2-CB 3.8Å; L73-I183 HydrophobicContact CD2-CG2 4.35Å; L73-I183 HydrophobicContact CG-CB 3.98Å; L73-I183 HydrophobicContact CG-CG2 4.06Å; M147-I183 WeakPolarHBondContact O-CA 3.45Å; A148-I183 HydrophobicContact CB-CG2 3.96Å; I183-E197 WeakPolarHBondContact O-CA 3.34Å; I183-Q198 HydrophobicContact CD1-CB 4.26Å; I183-Q198 HydrophobicContact CG1-CB 3.85Å; I183-Q198 PolarHBondContact N-O 2.91Å; I183-Q198 PolarHBondContact O-N 3.44Å; I183-L216 HydrophobicContact CD1-CB 3.7Å; I183-L216 HydrophobicContact CG1-CB 3.95Å; I183-L216 HydrophobicContact CG1-CD1 4.23Å; I183-L216 HydrophobicContact CG2-CB 4.3Å; I183-M218 HydrophobicContact CD1-CB 3.42Å; I183-M218 VanDerWaalsContact CD1-CB 3.42Å; I183-M218 HydrophobicContact CD1-CE 4.44Å; I183-M218 HydrophobicContact CG1-CB 4.39Å; I183-M218 HydrophobicContact CG1-CE 4.36Å
184F98.8Very high97.5Very high0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-150.6137.5-169.7164.1-99.3000110.9M146 M147 L168 W182 G186 T194 F196 E197M146-F184 CarbonylContact C-O 3.45Å; M146-F184 WeakPolarHBondContact CA-O 3.26Å; M147-F184 HydrophobicContact CB-CB 4.45Å; M147-F184 HydrophobicContact CB-CD1 4.15Å; M147-F184 HydrophobicContact CE-CE1 4.29Å; M147-F184 HydrophobicContact CG-CD1 4.07Å; M147-F184 PolarHBondContact N-O 2.83Å; M147-F184 PolarHBondContact O-N 3.38Å; M147-F184 HydrophobicContact SD-CD1 4.43Å; L168-F184 HydrophobicContact CB-CE1 4.19Å; L168-F184 HydrophobicContact CB-CZ 3.9Å; L168-F184 WeakPolarHBondContact O-CZ 3.15Å; W182-F184 HydrophobicContact CD2-CB 4.35Å; W182-F184 HydrophobicContact CH2-CB 3.78Å; W182-F184 HydrophobicContact CH2-CD1 4.05Å; W182-F184 HydrophobicContact CH2-CG 4.04Å; W182-F184 HydrophobicContact CZ2-CB 3.22Å; W182-F184 HydrophobicContact CZ2-CD1 4Å; W182-F184 HydrophobicContact CZ2-CD2 4.11Å; W182-F184 AromaticContact CZ2-CG 3.53Å; W182-F184 HydrophobicContact CZ2-CG 3.53Å; F184-G186 VanDerWaalsContact CZ-CA 3.46Å; F184-T194 HydrophobicContact CD2-CG2 3.68Å; F184-T194 HydrophobicContact CE2-CG2 3.44Å; F184-T194 VanDerWaalsContact CE2-CG2 3.44Å; F184-F196 WeakPolarHBondContact CA-O 3.09Å; F184-E197 HydrophobicContact CD2-CB 4.31Å; F184-E197 HydrophobicContact CD2-CG 4.31Å
185V98.8Very high97.5Very high2 Ų249.5 Ų49.51%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-129111.4167.1-176.20000108F71 L73 I144 V145 M146 T194 F196 M218 V222F71-V185 HydrophobicContact CD2-CG2 3.84Å; F71-V185 HydrophobicContact CE2-CG2 3.67Å; F71-V185 HydrophobicContact CG-CG2 4.44Å; F71-V185 HydrophobicContact CZ-CB 4.49Å; F71-V185 HydrophobicContact CZ-CG2 4.08Å; L73-V185 HydrophobicContact CD2-CG2 3.79Å; I144-V185 HydrophobicContact CG2-CG1 3.99Å; V145-V185 WeakPolarHBondContact O-CA 3.11Å; M146-V185 HydrophobicContact CB-CG2 4.47Å; M146-V185 HydrophobicContact CE-CG2 4.33Å; M146-V185 HydrophobicContact CG-CG1 4.16Å; M146-V185 HydrophobicContact CG-CG2 4.12Å; V185-T194 WeakPolarHBondContact O-CB 3.36Å; V185-T194 WeakPolarHBondContact O-CG2 3.42Å; V185-T194 PolarHBondContact O-OG1 3.26Å; V185-F196 HydrophobicContact CB-CB 3.79Å; V185-F196 PolarHBondContact N-O 2.91Å; V185-M218 HydrophobicContact CG2-CE 4.13Å; V185-V222 HydrophobicContact CG1-CG2 3.77Å
186G98.4Very high97.6Very high9 Ų945 Ų459%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-129.9-158.6177.400000111.7V145 L168 F184V145-G186 PolarHBondContact N-O 3.38Å; V145-G186 PolarHBondContact O-N 2.66Å; L168-G186 WeakPolarHBondContact O-CA 3.23Å; F184-G186 VanDerWaalsContact CZ-CA 3.46Å
187G97.7Very high97.6Very high13 Ų1346.4 Ų46.413%0.13425%0.246CC..EExtended strand (participates in β ladder)trans-162.3147.8-179.700000113.6T143 L168 G189 I190T143-G187 CarbonylContact O-C 3.57Å; T143-G187 WeakPolarHBondContact O-CA 3.3Å; L168-G187 PolarHBondContact O-N 2.91Å; L168-G187 VanDerWaalsContact O-N 3.08Å; G187-G189 PolarHBondContact O-N 2.92Å; G187-I190 WeakPolarHBondContact O-CB 3.34Å; G187-I190 WeakPolarHBondContact O-CG2 3.49Å; G187-I190 PolarHBondContact O-N 2.87Å
188K98Very high97.6Very high56 Ų5648.1 Ų48.124%0.24325%0.247CC..THydrogen-bonded Turntrans-71.2123.5175.3-171.572.7172.2-171.30110.1I139 E140 E141 G142 T143 L168I139-K188 HydrophobicContact CB-CD 4.43Å; I139-K188 HydrophobicContact CG2-CB 3.8Å; I139-K188 HydrophobicContact CG2-CD 4.35Å; I139-K188 HydrophobicContact CG2-CG 4.2Å; I139-K188 VanDerWaalsContact O-CE 3.3Å; I139-K188 WeakPolarHBondContact O-CE 3.44Å; I139-K188 WeakPolarHBondContact O-CG 3.38Å; E140-K188 VanDerWaalsContact O-CB 3.26Å; E140-K188 WeakPolarHBondContact O-CB 3.5Å; E140-K188 WeakPolarHBondContact O-CG 3.06Å; E141-K188 HydrophobicContact CG-CG 4.39Å; G142-K188 PolarHBondContact N-O 2.89Å; T143-K188 PolarHBondContact O-N 3.23Å; L168-K188 HydrophobicContact CD2-CB 4.1Å; L168-K188 HydrophobicContact CD2-CD 3.79Å
189G95.5Very high97.6Very high30 Ų3047.7 Ų47.731%0.30925%0.246SC..THydrogen-bonded Turntrans93.63.8-177.700000114.3G187G187-G189 PolarHBondContact O-N 2.92Å
190I95.1Very high97.6Very high57 Ų5747.3 Ų47.329%0.29225%0.248SC..  trans-59141.6172-159.3173.6000110.1L168 G187 T192L168-I190 VanDerWaalsContact C-CG2 3.42Å; L168-I190 WeakPolarHBondContact O-CG2 3.47Å; G187-I190 WeakPolarHBondContact O-CB 3.34Å; G187-I190 WeakPolarHBondContact O-CG2 3.49Å; G187-I190 PolarHBondContact O-N 2.87Å; I190-T192 WeakPolarHBondContact CD1-O 3.42Å; I190-T192 WeakPolarHBondContact CG1-O 3.3Å
191K92.9Very high97.6Very high188 Ų18853.6 Ų53.682%0.81728%0.275SS*.  trans-104.1-7.3-179.9-56.7-57.5179.7-173.50113.2
192T94.6Very high97.6Very high99 Ų9955.2 Ų55.261%0.60728%0.284SS*.SBendtrans-127.7168.7-179.162.80000110.4I190I190-T192 WeakPolarHBondContact CD1-O 3.42Å; I190-T192 WeakPolarHBondContact CG1-O 3.3Å
193K96.9Very high97.5Very high152 Ų15257 Ų5766%0.66130%0.297SS*.  trans-63.1145.4164.9-64.9176175.2-175.90109.6G169G169-K193 WeakPolarHBondContact O-CA 3.41Å
194T97.6Very high97.4Very high14 Ų1461.7 Ų61.79%0.08634%0.335CS..  trans-74.6143.6175-1720000110.4G169 F184 V185 F196 E197G169-T194 PolarHBondContact O-N 3.49Å; F184-T194 HydrophobicContact CD2-CG2 3.68Å; F184-T194 HydrophobicContact CE2-CG2 3.44Å; F184-T194 VanDerWaalsContact CE2-CG2 3.44Å; V185-T194 WeakPolarHBondContact O-CB 3.36Å; V185-T194 WeakPolarHBondContact O-CG2 3.42Å; V185-T194 PolarHBondContact O-OG1 3.26Å; T194-F196 PolarHBondContact OG1-N 3.1Å; T194-F196 VanDerWaalsContact OG1-N 3.12Å; T194-E197 HydrophobicContact CG2-CB 3.98Å
195P97.5Very high97.3Very high107 Ų10769 Ų6970%0.69537%0.374SS*.SBendtrans-77-9.8166.433.4-35.8000112.5E197P195-E197 PolarHBondContact O-N 3.07Å
196F98.5Very high97.2Very high40 Ų4074 Ų7418%0.17541%0.405CS..  trans-101.770.7-175.2-51.6-61000110.8F71 F184 V185 T194 M218 C221 V222F71-F196 AromaticContact CE1-CD1 3.72Å; F71-F196 HydrophobicContact CE1-CD1 3.72Å; F71-F196 HydrophobicContact CE1-CD2 4.36Å; F71-F196 AromaticContact CE1-CE1 3.94Å; F71-F196 HydrophobicContact CE1-CE1 3.94Å; F71-F196 AromaticContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CG 3.95Å; F71-F196 HydrophobicContact CE1-CZ 4.35Å; F71-F196 HydrophobicContact CZ-CB 3.96Å; F71-F196 AromaticContact CZ-CD1 3.57Å; F71-F196 HydrophobicContact CZ-CD1 3.57Å; F71-F196 HydrophobicContact CZ-CE1 4.21Å; F71-F196 AromaticContact CZ-CG 3.79Å; F71-F196 HydrophobicContact CZ-CG 3.79Å; F184-F196 WeakPolarHBondContact CA-O 3.09Å; V185-F196 HydrophobicContact CB-CB 3.79Å; V185-F196 PolarHBondContact N-O 2.91Å; T194-F196 PolarHBondContact OG1-N 3.1Å; T194-F196 VanDerWaalsContact OG1-N 3.12Å; F196-M218 VanDerWaalsContact C-CE 3.46Å; F196-M218 VanDerWaalsContact C-SD 3.52Å; F196-M218 VanDerWaalsContact CA-SD 3.56Å; F196-M218 HydrophobicContact CB-CE 3.87Å; F196-M218 HydrophobicContact CB-SD 3.97Å; F196-M218 WeakPolarHBondContact O-CE 3.44Å; F196-C221 VanDerWaalsContact CZ-O 3.32Å; F196-C221 WeakPolarHBondContact CZ-O 3.3Å; F196-V222 HydrophobicContact CD2-CG2 4.15Å; F196-V222 HydrophobicContact CE2-CG2 3.98Å
197E98.8Very high97.2Very high31 Ų3175 Ų7515%0.14541%0.408CS..EExtended strand (participates in β ladder)trans-145.5134.2176.6-175.8170.1-13300110.3S170 S171 A172 W182 I183 F184 T194 P195S170-E197 WeakPolarHBondContact CB-OE1 3.34Å; S170-E197 PolarHBondContact OG-OE1 3.44Å; S171-E197 WeakPolarHBondContact CA-OE2 3.42Å; S171-E197 WeakPolarHBondContact CB-OE2 3.31Å; S171-E197 PolarHBondContact N-OE2 3.47Å; S171-E197 PolarHBondContact OG-OE2 3.3Å; A172-E197 HydrophobicContact CB-CG 4.26Å; A172-E197 WeakPolarHBondContact CB-OE1 3.34Å; A172-E197 PolarHBondContact N-OE1 2.95Å; A172-E197 PolarHBondContact N-OE2 2.98Å; A172-E197 VanDerWaalsContact N-OE2 3.15Å; W182-E197 PolarHBondContact NE1-OE1 2.93Å; I183-E197 WeakPolarHBondContact O-CA 3.34Å; F184-E197 HydrophobicContact CD2-CB 4.31Å; F184-E197 HydrophobicContact CD2-CG 4.31Å; T194-E197 HydrophobicContact CG2-CB 3.98Å; P195-E197 PolarHBondContact O-N 3.07Å
198Q98.6Very high97.1Very high74 Ų7480.8 Ų80.835%0.34643%0.43SS..EExtended strand (participates in β ladder)trans-135.8149.5170.7-62.3-175.136.400110.3W182 I183 L216 E217 M218W182-Q198 WeakPolarHBondContact CA-O 3.18Å; I183-Q198 HydrophobicContact CD1-CB 4.26Å; I183-Q198 HydrophobicContact CG1-CB 3.85Å; I183-Q198 PolarHBondContact N-O 2.91Å; I183-Q198 PolarHBondContact O-N 3.44Å; Q198-L216 HydrophobicContact CB-CD1 4.12Å; Q198-L216 HydrophobicContact CB-CD2 3.9Å; Q198-E217 PolarHBondContact NE2-O 3.49Å; Q198-E217 VanDerWaalsContact NE2-O 3.09Å; Q198-M218 HydrophobicContact CG-SD 4.24Å
199H98.1Very high97.1Very high70 Ų7082 Ų8232%0.32443%0.433SS..EExtended strand (participates in β ladder)trans-148137-177166.3-113000109.9A172 D180 N181A172-H199 HydrophobicContact CB-CB 4.02Å; D180-H199 WeakPolarHBondContact CB-NE2 3.27Å; D180-H199 VanDerWaalsContact CG-NE2 3.29Å; D180-H199 IonicContact OD2-CD2 3.69Å; D180-H199 IonicContact OD2-CE1 3.83Å; D180-H199 IonicContact OD2-NE2 3.6Å; D180-H199 PolarHBondContact OD2-NE2 2.79Å; N181-H199 CarbonylContact O-C 3.6Å; N181-H199 WeakPolarHBondContact O-CA 3.32Å; N181-H199 PolarHBondContact O-CD2 3.06Å
200I98.4Very high97Very high47 Ų4789.4 Ų89.424%0.24146%0.46CS..EExtended strand (participates in β ladder)trans-128.1124.2169.1-63.1173.5000107.5D180 N181 P213 E214 L216D180-I200 WeakPolarHBondContact CA-O 3.24Å; N181-I200 PolarHBondContact N-O 3.12Å; N181-I200 PolarHBondContact O-N 3.16Å; I200-P213 HydrophobicContact CB-CB 4.23Å; I200-P213 HydrophobicContact CG2-CB 3.57Å; I200-E214 HydrophobicContact CD1-CG 3.81Å; I200-L216 HydrophobicContact CD1-CD2 3.43Å; I200-L216 VanDerWaalsContact CD1-CD2 3.43Å; I200-L216 HydrophobicContact CD1-CG 3.86Å; I200-L216 HydrophobicContact CG1-CD1 4.31Å; I200-L216 HydrophobicContact CG1-CD2 3.63Å; I200-L216 HydrophobicContact CG1-CG 4.02Å
201K98.4Very high97.1Very high134 Ų13488 Ų8858%0.58346%0.46SS*.  trans-71.6138.3177.8-169.1179.2177.7-178.80110.8D180 S203D180-K201 VanDerWaalsContact OD1-CA 3.3Å; D180-K201 WeakPolarHBondContact OD1-CA 3.02Å; K201-S203 PolarHBondContact O-N 3.46Å
202N98.3Very high97.3Very high36 Ų3681 Ų8119%0.19343%0.428CS..  trans-65.5120166.2175.220.7000110.3F178 R179 D180 N207F178-N202 VanDerWaalsContact O-CB 3.23Å; F178-N202 WeakPolarHBondContact O-CB 3.36Å; F178-N202 PolarHBondContact O-ND2 2.95Å; R179-N202 HydrophobicContact CB-CB 4.23Å; D180-N202 PolarHBondContact OD1-N 3.5Å; N202-N207 PolarHBondContact OD1-ND2 3.49Å
203S97.6Very high97.5Very high39 Ų3976.3 Ų76.327%0.27340%0.399SS..  trans-147.9128.1177.8179.40000110.9K201 D205 T206 N207K201-S203 PolarHBondContact O-N 3.46Å; S203-D205 PolarHBondContact O-N 2.94Å; S203-D205 VanDerWaalsContact O-N 3.07Å; S203-T206 WeakPolarHBondContact CB-OG1 3.38Å; S203-T206 PolarHBondContact O-N 3.36Å; S203-T206 VanDerWaalsContact O-N 3.1Å; S203-N207 PolarHBondContact N-OD1 3.49Å; S203-N207 VanDerWaalsContact O-CB 3.28Å; S203-N207 WeakPolarHBondContact O-CB 3.38Å; S203-N207 PolarHBondContact O-N 2.9Å; S203-N207 PolarHBondContact O-ND2 3.26Å; S203-N207 VanDerWaalsContact O-ND2 3.16Å; S203-N207 PolarHBondContact O-OD1 3.15Å; S203-N207 VanDerWaalsContact O-OD1 3.12Å
204A96.4Very high97.6Very high98 Ų9873.5 Ų73.581%0.8139%0.388SS*.THydrogen-bonded Turntrans-54.9-30.1179.500000113.1
205D96.9Very high97.6Very high153 Ų15375.3 Ų75.382%0.81840%0.399SS*.THydrogen-bonded Turntrans-79.4-24.9-177.3-56-38.6000113.6S203S203-D205 PolarHBondContact O-N 2.94Å; S203-D205 VanDerWaalsContact O-N 3.07Å
206T96.9Very high97.7Very high106 Ų10670.6 Ų70.665%0.6537%0.368SS*.THydrogen-bonded Turntrans-122.7-4-171.463.80000113.9S203S203-T206 WeakPolarHBondContact CB-OG1 3.38Å; S203-T206 PolarHBondContact O-N 3.36Å; S203-T206 VanDerWaalsContact O-N 3.1Å
207N97.8Very high97.7Very high30 Ų3073.6 Ų73.616%0.1638%0.383CS..  trans-65135.6-178.3-81-15.5000111.6N202 S203 Y209 W212 P213N202-N207 PolarHBondContact OD1-ND2 3.49Å; S203-N207 PolarHBondContact N-OD1 3.49Å; S203-N207 VanDerWaalsContact O-CB 3.28Å; S203-N207 WeakPolarHBondContact O-CB 3.38Å; S203-N207 PolarHBondContact O-N 2.9Å; S203-N207 PolarHBondContact O-ND2 3.26Å; S203-N207 VanDerWaalsContact O-ND2 3.16Å; S203-N207 PolarHBondContact O-OD1 3.15Å; S203-N207 VanDerWaalsContact O-OD1 3.12Å; N207-Y209 WeakPolarHBondContact CB-O 3.28Å; N207-W212 WeakPolarHBondContact CB-O 3.38Å; N207-P213 WeakPolarHBondContact OD1-CA 3.34Å
208K97.3Very high97.6Very high136 Ų13672.8 Ų72.859%0.59138%0.379SS*.SBendtrans-78.4-32.2173.8-179.9173.3-171.61600112.7E214K208-E214 HydrophobicContact CB-CB 3.72Å; K208-E214 HydrophobicContact CD-CB 3.45Å; K208-E214 VanDerWaalsContact CD-CB 3.45Å; K208-E214 HydrophobicContact CG-CB 4.25Å; K208-E214 IonicContact NZ-OE2 3.19Å
209Y96.4Very high97.6Very high81 Ų8172 Ų7232%0.31838%0.375SS..BIsolated β-bridgetrans-109.9160.6176.8-50.4-69.2000109.8A77 A78 N207 G211 W212 P213 V215A77-Y209 HydrophobicContact CB-CE2 4.24Å; A78-Y209 HydrophobicContact CB-CD2 4.48Å; N207-Y209 WeakPolarHBondContact CB-O 3.28Å; Y209-G211 PolarHBondContact O-N 3.47Å; Y209-W212 HydrophobicContact CD2-CB 4.35Å; Y209-W212 PolarHBondContact N-O 3.14Å; Y209-W212 VanDerWaalsContact N-O 3.09Å; Y209-W212 PolarHBondContact O-N 2.89Å; Y209-P213 VanDerWaalsContact CD2-O 3.26Å; Y209-P213 WeakPolarHBondContact CD2-O 3.47Å; Y209-V215 HydrophobicContact CE2-CG2 4.47Å
210E95.1Very high97.6Very high186 Ų18669.2 Ų69.287%0.86937%0.366SS*.THydrogen-bonded Turntrans-65.391.6179-171.2-178.4174.900111.5W212E210-W212 WeakPolarHBondContact O-CZ3 3.3Å
211G96.1Very high97.6Very high28 Ų2868.4 Ų68.429%0.28936%0.364SS..THydrogen-bonded Turntrans86.514.3-179.500000115.6R179 Y209R179-G211 WeakPolarHBondContact CD-O 3.45Å; R179-G211 PolarHBondContact NH1-O 2.95Å; Y209-G211 PolarHBondContact O-N 3.47Å
212W98.3Very high97.5Very high40 Ų4062.8 Ų62.815%0.15234%0.341CS..BIsolated β-bridgetrans-138.6143.8169.4-69-100.2000111.9A78 D151 R179 N207 Y209 E210A78-W212 HydrophobicContact CB-CB 4.01Å; A78-W212 HydrophobicContact CB-CD2 3.75Å; A78-W212 HydrophobicContact CB-CE3 4.03Å; A78-W212 HydrophobicContact CB-CG 3.77Å; D151-W212 PolarHBondContact O-NE1 2.81Å; D151-W212 WeakPolarHBondContact OD1-CZ2 3.31Å; D151-W212 PolarHBondContact OD1-NE1 3.02Å; R179-W212 VanDerWaalsContact CZ-CE2 3.4Å; R179-W212 VanDerWaalsContact NH1-CH2 3.31Å; R179-W212 VanDerWaalsContact NH2-CH2 3.28Å; N207-W212 WeakPolarHBondContact CB-O 3.38Å; Y209-W212 HydrophobicContact CD2-CB 4.35Å; Y209-W212 PolarHBondContact N-O 3.14Å; Y209-W212 VanDerWaalsContact N-O 3.09Å; Y209-W212 PolarHBondContact O-N 2.89Å; E210-W212 WeakPolarHBondContact O-CZ3 3.3Å
213P98.2Very high97.3Very high1 Ų164.6 Ų64.61%0.00636%0.355CS..PPolyproline II helixtrans-69.7170173.730.2-34.8000111.9R179 N181 I200 N207 Y209R179-P213 WeakPolarHBondContact O-CD 3.39Å; R179-P213 WeakPolarHBondContact O-CG 3.2Å; N181-P213 HydrophobicContact CB-CG 3.94Å; I200-P213 HydrophobicContact CB-CB 4.23Å; I200-P213 HydrophobicContact CG2-CB 3.57Å; N207-P213 WeakPolarHBondContact OD1-CA 3.34Å; Y209-P213 VanDerWaalsContact CD2-O 3.26Å; Y209-P213 WeakPolarHBondContact CD2-O 3.47Å
214E98.3Very high97.2Very high93 Ų9367.6 Ų67.644%0.43536%0.36SS..PPolyproline II helixtrans-67.9164.2176.172.5180147.700113.6N181 I200 K208 L216N181-E214 PolarHBondContact ND2-O 3.34Å; I200-E214 HydrophobicContact CD1-CG 3.81Å; K208-E214 HydrophobicContact CB-CB 3.72Å; K208-E214 HydrophobicContact CD-CB 3.45Å; K208-E214 VanDerWaalsContact CD-CB 3.45Å; K208-E214 HydrophobicContact CG-CB 4.25Å; K208-E214 IonicContact NZ-OE2 3.19Å; E214-L216 PolarHBondContact O-N 2.98Å
215V98.4Very high96.8Very high51 Ų5169.2 Ų69.231%0.30935%0.345SS..PPolyproline II helixtrans-67.1131.4176.5178.40000109.9A77 Y209A77-V215 HydrophobicContact CB-CG2 3.39Å; Y209-V215 HydrophobicContact CE2-CG2 4.47Å
216L98.5Very high96Very high9 Ų969.9 Ų69.95%0.04734%0.343CS..PPolyproline II helixtrans-85.2140.2168.1-79.4172.1000110.5T74 S75 N181 I183 Q198 I200 E214T74-L216 CarbonylContact C-O 3.57Å; T74-L216 WeakPolarHBondContact CA-O 3.42Å; S75-L216 PolarHBondContact N-O 3.42Å; S75-L216 PolarHBondContact OG-N 3.32Å; N181-L216 HydrophobicContact CB-CD1 4.07Å; N181-L216 HydrophobicContact CB-CG 4.32Å; N181-L216 VanDerWaalsContact O-CD1 3.27Å; N181-L216 WeakPolarHBondContact O-CD1 3.33Å; I183-L216 HydrophobicContact CD1-CB 3.7Å; I183-L216 HydrophobicContact CG1-CB 3.95Å; I183-L216 HydrophobicContact CG1-CD1 4.23Å; I183-L216 HydrophobicContact CG2-CB 4.3Å; Q198-L216 HydrophobicContact CB-CD1 4.12Å; Q198-L216 HydrophobicContact CB-CD2 3.9Å; I200-L216 HydrophobicContact CD1-CD2 3.43Å; I200-L216 VanDerWaalsContact CD1-CD2 3.43Å; I200-L216 HydrophobicContact CD1-CG 3.86Å; I200-L216 HydrophobicContact CG1-CD1 4.31Å; I200-L216 HydrophobicContact CG1-CD2 3.63Å; I200-L216 HydrophobicContact CG1-CG 4.02Å; E214-L216 PolarHBondContact O-N 2.98Å
217E98.5Very high94.3Very high103 Ų10373.6 Ų73.648%0.48136%0.36SS..EExtended strand (participates in β ladder)trans-130.4133.8169.9-178168.9113.900109.8K72 L73 T74 Q198K72-E217 WeakPolarHBondContact CE-OE1 3.41Å; K72-E217 VanDerWaalsContact CE-OE2 3.29Å; K72-E217 WeakPolarHBondContact CE-OE2 3.3Å; K72-E217 IonicContact NZ-OE1 3.37Å; K72-E217 PolarHBondContact NZ-OE1 3.26Å; K72-E217 IonicContact NZ-OE2 3.64Å; L73-E217 WeakPolarHBondContact O-CA 3.45Å; T74-E217 HydrophobicContact CG2-CB 3.92Å; T74-E217 HydrophobicContact CG2-CG 3.78Å; T74-E217 WeakPolarHBondContact CG2-OE2 3.27Å; Q198-E217 PolarHBondContact NE2-O 3.49Å; Q198-E217 VanDerWaalsContact NE2-O 3.09Å
218M98.3Very high94.1Very high13 Ų1375.8 Ų75.86%0.06437%0.37CS..EExtended strand (participates in β ladder)trans-136.7133.3173.4-175.8170.556.600109.2F71 K72 L73 I183 V185 F196 Q198F71-M218 HydrophobicContact CE2-CE 3.85Å; F71-M218 HydrophobicContact CE2-CG 4Å; F71-M218 HydrophobicContact CE2-SD 4.48Å; F71-M218 HydrophobicContact CZ-CE 4.13Å; F71-M218 HydrophobicContact CZ-CG 4.14Å; F71-M218 HydrophobicContact CZ-SD 4.39Å; K72-M218 WeakPolarHBondContact CA-O 3.34Å; L73-M218 HydrophobicContact CD2-CE 4.39Å; L73-M218 PolarHBondContact N-O 2.87Å; L73-M218 PolarHBondContact O-N 3.15Å; I183-M218 HydrophobicContact CD1-CB 3.42Å; I183-M218 VanDerWaalsContact CD1-CB 3.42Å; I183-M218 HydrophobicContact CD1-CE 4.44Å; I183-M218 HydrophobicContact CG1-CB 4.39Å; I183-M218 HydrophobicContact CG1-CE 4.36Å; V185-M218 HydrophobicContact CG2-CE 4.13Å; F196-M218 VanDerWaalsContact C-CE 3.46Å; F196-M218 VanDerWaalsContact C-SD 3.52Å; F196-M218 VanDerWaalsContact CA-SD 3.56Å; F196-M218 HydrophobicContact CB-CE 3.87Å; F196-M218 HydrophobicContact CB-SD 3.97Å; F196-M218 WeakPolarHBondContact O-CE 3.44Å; Q198-M218 HydrophobicContact CG-SD 4.24Å
219E97.9Very high93.9Very high57 Ų5772.6 Ų72.627%0.26636%0.358SS..EExtended strand (participates in β ladder)trans-124.1151.5168.762.5-179.5-13700110L60 S61 F71 K72L60-E219 HydrophobicContact CD1-CB 3.91Å; L60-E219 HydrophobicContact CG-CB 4Å; L60-E219 HydrophobicContact CG-CG 4.4Å; S61-E219 VanDerWaalsContact CB-OE1 3.28Å; S61-E219 WeakPolarHBondContact CB-OE1 3.32Å; S61-E219 PolarHBondContact N-OE1 3.03Å; S61-E219 PolarHBondContact OG-OE1 3.36Å; F71-E219 VanDerWaalsContact O-CA 3.31Å; F71-E219 WeakPolarHBondContact O-CA 3.07Å; K72-E219 HydrophobicContact CB-CB 4.38Å; K72-E219 HydrophobicContact CD-CB 4.45Å; K72-E219 HydrophobicContact CG-CB 4.2Å; K72-E219 IonicContact NZ-OE2 2.72Å; K72-E219 PolarHBondContact NZ-OE2 2.68Å
220G97.4Very high93.8Very high13 Ų1372.2 Ų72.213%0.13436%0.36CS..EExtended strand (participates in β ladder)trans-179-173.5-178.300000114A70 F71A70-G220 WeakPolarHBondContact CA-O 3.29Å; F71-G220 VanDerWaalsContact CD1-C 3.42Å; F71-G220 WeakPolarHBondContact CD1-O 3.49Å; F71-G220 VanDerWaalsContact CE1-CA 3.43Å; F71-G220 PolarHBondContact N-O 3.24Å; F71-G220 PolarHBondContact O-N 3.34Å
221C97.9Very high93.7Very high30 Ų3065.5 Ų65.520%0.20333%0.33CS..EExtended strand (participates in β ladder)trans-127107.3-175.3-570000109.1C64 H68 M69 F196C64-C221 WeakPolarHBondContact CA-SG 3.27Å; C64-C221 HydrophobicContact CB-CB 3.77Å; C64-C221 WeakPolarHBondContact CB-SG 3.3Å; C64-C221 VanDerWaalsContact SG-CA 3.58Å; C64-C221 WeakPolarHBondContact SG-CB 3.32Å; C64-C221 CovalentContact SG-SG 2.03Å; C64-C221 PolarHBondContact SG-SG 2.79Å; H68-C221 HydrophobicContact CB-CB 3.93Å; M69-C221 CarbonylContact O-C 3.57Å; M69-C221 WeakPolarHBondContact O-CA 3.38Å; F196-C221 VanDerWaalsContact CZ-O 3.32Å; F196-C221 WeakPolarHBondContact CZ-O 3.3Å
222V96.8Very high93.6Very high15 Ų1567.8 Ų67.89%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-83.7129.5176.8-179.40000109.1H68 M69 F71 I144 V185 F196 R224H68-V222 CarbonylContact C-O 3.55Å; H68-V222 VanDerWaalsContact CA-O 3.27Å; H68-V222 WeakPolarHBondContact CA-O 3.48Å; M69-V222 PolarHBondContact N-O 3.42Å; M69-V222 PolarHBondContact O-N 3.31Å; F71-V222 HydrophobicContact CD1-CG2 3.6Å; F71-V222 HydrophobicContact CE1-CG2 3.75Å; I144-V222 HydrophobicContact CD1-CG1 3.81Å; I144-V222 HydrophobicContact CG1-CG1 4.32Å; V185-V222 HydrophobicContact CG1-CG2 3.77Å; F196-V222 HydrophobicContact CD2-CG2 4.15Å; F196-V222 HydrophobicContact CE2-CG2 3.98Å; V222-R224 PolarHBondContact O-N 2.94Å
223P95.4Very high93.3Very high75 Ų7569.7 Ų69.749%0.48735%0.345SS..EExtended strand (participates in β ladder)trans-59.4133.2173.7-20.230.6000111.1
224R94.1Very high92.9Very high102 Ų10274.6 Ų74.639%0.38537%0.369SS..PPolyproline II helixtrans-68.8138169.2-70.7-175.6179.6172.71.5109G67 M69 E88 V222 Q226G67-R224 VanDerWaalsContact O-CB 3.28Å; G67-R224 WeakPolarHBondContact O-CB 3.4Å; G67-R224 WeakPolarHBondContact O-CG 3.4Å; G67-R224 PolarHBondContact O-N 3.08Å; M69-R224 HydrophobicContact CE-CG 3.88Å; M69-R224 HydrophobicContact CG-CG 3.65Å; M69-R224 VanDerWaalsContact CG-NE 3.33Å; M69-R224 HydrophobicContact SD-CG 3.93Å; E88-R224 IonicContact OE2-NH2 2.8Å; E88-R224 PolarHBondContact OE2-NH2 3.27Å; V222-R224 PolarHBondContact O-N 2.94Å; R224-Q226 PolarHBondContact O-N 3.39Å
225R88.3Confident92.5Very high131 Ų13173.2 Ų73.249%0.49436%0.364SS..PPolyproline II helixtrans-61.9131.8169.4-91-159.969.1149.1-0.2109.6G111G111-R225 PolarHBondContact O-N 3.03Å
226Q80.8Confident92Very high167 Ų16775 Ų7578%0.7837%0.369SS*.PPolyproline II helixtrans-94.5159.2162.2-58.8-173.97.600108R224R224-Q226 PolarHBondContact O-N 3.39Å
227D60.2Low91.4Very high185 Ų18581 Ų8199%0.98940%0.398SS*.  trans-63.70178.7-68.6-38.5000111.8K112K112-D227 IonicContact NZ-OD1 3.86Å; K112-D227 PolarHBondContact NZ-OD1 3.26Å; K112-D227 IonicContact NZ-OD2 2.65Å; K112-D227 PolarHBondContact NZ-OD2 3.27Å

Retrieved 227 of 227 residues in 330 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).