A0A077Z7N7_TRITR Loading...

Beta-sarcoglycan

Component of the sarcoglycan complex, a subcomplex of the dystrophin-glycoprotein complex which forms a link between the F-actin cytoskeleton and the extracellular matrix.

AlphaFold DB , UniProt , Accession A0A077Z7N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 aa.

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

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
1M41.5Very low44.3Very low251 Ų251164.9 Ų164.9100%1.23685%0.846SS**  0133.90-91.6165.4133.400109
2K44Very low44.2Very low184 Ų184168.1 Ų168.180%0.884%0.842SS**  trans-20141171.8-80.3174.8174.2177.80119.6
3N43.2Very low44.5Very low145 Ų145171.2 Ų171.278%0.77584%0.84SS**  67122.6129.9-57.3-2.4000119.2
4A49.3Very low44.7Very low100 Ų100166.9 Ų166.983%0.82682%0.822SS**  -176.6134.188.200000110.9
5E43.9Very low45Very low194 Ų194165.8 Ų165.891%0.90781%0.811SS**  trans-65.8144.2170.3-61.8164129.800110.9
6S51.4Low45.3Very low113 Ų113162.4 Ų162.479%0.7980%0.798SS**  trans-138.895.4154.4-174.90000109.3K8S6-K8 PolarHBondContact O-N 3.25Å
7R41.9Very low45.8Very low247 Ų247164.7 Ų164.793%0.93280%0.803SS**  trans-42.9117164.9-95.3172.7171.6169.9-1.7110.7
8K42.4Very low46Very low200 Ų200164.9 Ų164.987%0.8780%0.795SS**  trans-102.9107.1154.5-78.4-176178179.10107.2S6 S10S6-K8 PolarHBondContact O-N 3.25Å; K8-S10 PolarHBondContact O-N 3.22Å
9S44.4Very low45.8Very low101 Ų101166.8 Ų166.871%0.70679%0.793SS**  trans-58.5113.4173.447.10000109.9F11S9-F11 PolarHBondContact O-N 3.14Å; S9-F11 VanDerWaalsContact O-N 3.14Å
10S40.7Very low45.9Very low91 Ų91164 Ų16464%0.63679%0.787SS**  trans-68.7106.4169.364.50000108.6K8 Y12K8-S10 PolarHBondContact O-N 3.22Å; S10-Y12 VanDerWaalsContact C-N 3.26Å; S10-Y12 PolarHBondContact O-N 2.89Å
11F44.4Very low46.2Very low188 Ų188160.2 Ų160.283%0.82579%0.791SS**  trans-66.694.6159.1-100.1-95.1000107S9 Y13S9-F11 PolarHBondContact O-N 3.14Å; S9-F11 VanDerWaalsContact O-N 3.14Å; F11-Y13 PolarHBondContact O-N 2.99Å
12Y43.4Very low46.6Very low203 Ų203156.4 Ų156.480%0.79678%0.775SS**  trans-63.7100.4170.4-115.1-104.3000107.2S10 D14S10-Y12 VanDerWaalsContact C-N 3.26Å; S10-Y12 PolarHBondContact O-N 2.89Å; Y12-D14 PolarHBondContact O-N 2.96Å
13Y48.1Very low47.5Very low209 Ų209156.7 Ų156.782%0.8277%0.771SS**  trans-66.492161.1-103.6-91000106.5F11 K15F11-Y13 PolarHBondContact O-N 2.99Å; Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.27Å
14D46.8Very low48.7Very low111 Ų111151.4 Ų151.459%0.59475%0.751SS**  trans-65.495.2177.6-158.1-11.3000108.6Y12 D16Y12-D14 PolarHBondContact O-N 2.96Å; D14-D16 VanDerWaalsContact C-N 3.26Å; D14-D16 PolarHBondContact OD1-N 3.41Å
15K49.6Very low50.2Low150 Ų150155.5 Ų155.565%0.65275%0.75SS**  trans-85.66178.9-94.2-176-179.9172.90111.5Y13 F17 Y18Y13-K15 VanDerWaalsContact C-N 3.33Å; Y13-K15 PolarHBondContact O-N 3.27Å; K15-F17 VanDerWaalsContact C-N 3.34Å; K15-F17 PolarHBondContact O-N 2.95Å; K15-Y18 HydrophobicContact CB-CE1 4.16Å; K15-Y18 WeakPolarHBondContact O-CD1 2.85Å; K15-Y18 WeakPolarHBondContact O-CE1 2.89Å
16D50.3Low52Low112 Ų112154.5 Ų154.560%0.59974%0.743SS**G310 helixtrans-85.36.1-168.4-72.7-25.6000116.3D14 Y18D14-D16 VanDerWaalsContact C-N 3.26Å; D14-D16 PolarHBondContact OD1-N 3.41Å; D16-Y18 PolarHBondContact O-N 3.16Å; D16-Y18 VanDerWaalsContact O-N 3.16Å
17F54.1Low53.5Low201 Ų201154.2 Ų154.288%0.88273%0.731SS**G310 helixtrans-74.61.8175.3-89.4-75.8000115.9K15K15-F17 VanDerWaalsContact C-N 3.34Å; K15-F17 PolarHBondContact O-N 2.95Å
18Y48Very low55.6Low168 Ų168147 Ų14766%0.65971%0.711SS**G310 helixtrans-95.63.9175.563.6-99.4000115.7K15 D16K15-Y18 HydrophobicContact CB-CE1 4.16Å; K15-Y18 WeakPolarHBondContact O-CD1 2.85Å; K15-Y18 WeakPolarHBondContact O-CE1 2.89Å; D16-Y18 PolarHBondContact O-N 3.16Å; D16-Y18 VanDerWaalsContact O-N 3.16Å
19R43Very low57.8Low201 Ų201140.3 Ų140.376%0.75869%0.692SS**  trans-106.168.6-179.6-81.2-172172.3-172.30.1114.4
20T47.4Very low59.8Low111 Ų111140.9 Ų140.968%0.68169%0.687SS**  trans-148.886.9146.439.20000110.3L22 R23T20-L22 VanDerWaalsContact C-N 3.31Å; T20-L22 PolarHBondContact O-N 2.82Å; T20-R23 PolarHBondContact O-N 3.22Å
21G51.7Low62.2Low84 Ų84142 Ų14287%0.86669%0.685SS**THydrogen-bonded Turntrans-70.110.4-159.500000119.6
22L50.6Low64.4Low172 Ų172137.6 Ų137.690%0.90167%0.669SS**THydrogen-bonded Turntrans-121.2-10.2175.6-13475.1000113.8T20T20-L22 VanDerWaalsContact C-N 3.31Å; T20-L22 PolarHBondContact O-N 2.82Å
23R63.6Low66.8Low190 Ų190134.2 Ų134.272%0.71766%0.659SS**THydrogen-bonded Turntrans-93.6-15.4-177.8-158170.5-177.4168.4-0.5113.3T20 K25 K26 L27T20-R23 PolarHBondContact O-N 3.22Å; R23-K25 PolarHBondContact O-N 3.46Å; R23-K26 PolarHBondContact O-N 3.4Å; R23-L27 WeakPolarHBondContact O-CB 3.47Å; R23-L27 PolarHBondContact O-N 2.95Å
24G68.3Low69Low34 Ų34128 Ų12835%0.35164%0.642SS.*Hα-helixtrans-58.6-46.8-175.200000114.4K26 L27 I28G24-K26 PolarHBondContact O-N 3.01Å; G24-L27 PolarHBondContact O-N 2.98Å; G24-I28 WeakPolarHBondContact O-CB 3.34Å; G24-I28 WeakPolarHBondContact O-CD1 3.46Å; G24-I28 WeakPolarHBondContact O-CG1 3.47Å; G24-I28 PolarHBondContact O-N 3.48Å
25K79.5Confident71.3Confident186 Ų186125.3 Ų125.381%0.80964%0.636SS**Hα-helixtrans-64.4-41.4-179.1-65.7-173.2-178.7-177.60112.8R23 L27 I28 A29R23-K25 PolarHBondContact O-N 3.46Å; K25-L27 VanDerWaalsContact C-N 3.35Å; K25-I28 PolarHBondContact O-N 3.4Å; K25-A29 WeakPolarHBondContact O-CB 3.21Å; K25-A29 PolarHBondContact O-N 3.44Å
26K82.2Confident73.5Confident173 Ų173122.4 Ų122.475%0.75263%0.627SS**Hα-helixtrans-66.4-37.9175-71.1-173.4177.5-177.80111.5R23 G24 L30R23-K26 PolarHBondContact O-N 3.4Å; G24-K26 PolarHBondContact O-N 3.01Å; K26-L30 WeakPolarHBondContact O-CB 3.48Å; K26-L30 PolarHBondContact O-N 2.86Å
27L82.3Confident75.6Confident106 Ų106122 Ų12256%0.55562%0.622SS**Hα-helixtrans-67.3-41.5176-174.5140.7000111.8R23 G24 K25 L30 L31R23-L27 WeakPolarHBondContact O-CB 3.47Å; R23-L27 PolarHBondContact O-N 2.95Å; G24-L27 PolarHBondContact O-N 2.98Å; K25-L27 VanDerWaalsContact C-N 3.35Å; L27-L30 PolarHBondContact O-N 2.94Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 PolarHBondContact O-N 3.45Å
28I87.8Confident77.6Confident97 Ų97120.9 Ų120.950%0.49761%0.612SS.*Hα-helixtrans-63.8-44.4175.3-67.7161.5000110.6G24 K25 L30 L31 I32G24-I28 WeakPolarHBondContact O-CB 3.34Å; G24-I28 WeakPolarHBondContact O-CD1 3.46Å; G24-I28 WeakPolarHBondContact O-CG1 3.47Å; G24-I28 PolarHBondContact O-N 3.48Å; K25-I28 PolarHBondContact O-N 3.4Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 3.2Å; I28-L31 WeakPolarHBondContact O-CB 3.48Å; I28-L31 PolarHBondContact O-N 2.99Å; I28-I32 HydrophobicContact CG2-CD1 3.94Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 3.01Å
29A86.6Confident79.9Confident59 Ų59117.7 Ų117.749%0.48861%0.606SS.*Hα-helixtrans-60.6-42.1175.900000112.1K25 I32 F33K25-A29 WeakPolarHBondContact O-CB 3.21Å; K25-A29 PolarHBondContact O-N 3.44Å; A29-I32 PolarHBondContact O-N 2.97Å; A29-F33 WeakPolarHBondContact O-CB 3.5Å; A29-F33 PolarHBondContact O-N 2.95Å
30L88.3Confident82.5Confident113 Ų113112 Ų11259%0.59259%0.59SS**Hα-helixtrans-63.4-42.5174.6-172.4154000111.3K26 L27 I28 I32 F33 V34K26-L30 WeakPolarHBondContact O-CB 3.48Å; K26-L30 PolarHBondContact O-N 2.86Å; L27-L30 PolarHBondContact O-N 2.94Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 3.2Å; L30-I32 PolarHBondContact O-N 3.44Å; L30-F33 PolarHBondContact O-N 3.34Å; L30-V34 HydrophobicContact CD2-CG2 3.82Å; L30-V34 WeakPolarHBondContact O-CG2 3.5Å; L30-V34 PolarHBondContact O-N 3.23Å
31L89.5Confident84.8Confident114 Ų114109.5 Ų109.560%0.59758%0.58SS**Hα-helixtrans-62-42.9178.2-17272.9000111.8L27 I28 V34 A35L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 PolarHBondContact O-N 3.45Å; I28-L31 WeakPolarHBondContact O-CB 3.48Å; I28-L31 PolarHBondContact O-N 2.99Å; L31-V34 PolarHBondContact O-N 3.4Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.46Å
32I91.9Very high87Confident96 Ų96108.7 Ų108.749%0.49256%0.556SS.*Hα-helixtrans-62.4-44.4174.9-67.1165.5000110.3I28 A29 L30 V34 A35 I36I28-I32 HydrophobicContact CG2-CD1 3.94Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 3.01Å; A29-I32 PolarHBondContact O-N 2.97Å; L30-I32 PolarHBondContact O-N 3.44Å; I32-V34 PolarHBondContact O-N 3.44Å; I32-A35 WeakPolarHBondContact O-CB 3.43Å; I32-A35 PolarHBondContact O-N 3.26Å; I32-I36 HydrophobicContact CG2-CD1 3.99Å; I32-I36 WeakPolarHBondContact O-CG1 3.34Å; I32-I36 PolarHBondContact O-N 3Å
33F93.7Very high89.1Confident131 Ų131104.4 Ų104.458%0.57553%0.533SS*.Hα-helixtrans-61.8-43.7177.6-177.4-102.3000112.2A29 L30 A35 I36 M37A29-F33 WeakPolarHBondContact O-CB 3.5Å; A29-F33 PolarHBondContact O-N 2.95Å; L30-F33 PolarHBondContact O-N 3.34Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 2.93Å; F33-I36 PolarHBondContact O-N 3.24Å; F33-M37 HydrophobicContact CD1-CG 4.24Å; F33-M37 HydrophobicContact CE1-CG 3.87Å; F33-M37 HydrophobicContact CE2-CG 4.46Å; F33-M37 HydrophobicContact CZ-CG 3.99Å; F33-M37 HydrophobicContact CZ-SD 4.11Å; F33-M37 WeakPolarHBondContact O-CG 3.37Å; F33-M37 PolarHBondContact O-N 3.41Å
34V94Very high90.7Very high78 Ų78100 Ų10047%0.47352%0.524SS..Hα-helixtrans-61.7-40.8174.8171.40000111.1L30 L31 I32 M37 W38L30-V34 HydrophobicContact CD2-CG2 3.82Å; L30-V34 WeakPolarHBondContact O-CG2 3.5Å; L30-V34 PolarHBondContact O-N 3.23Å; L31-V34 PolarHBondContact O-N 3.4Å; I32-V34 PolarHBondContact O-N 3.44Å; V34-M37 PolarHBondContact O-N 2.99Å; V34-W38 WeakPolarHBondContact O-CB 3.49Å; V34-W38 PolarHBondContact O-N 2.9Å
35A94.5Very high92Very high55 Ų55103.3 Ų103.346%0.45553%0.533SS..Hα-helixtrans-64.1-40176.700000112.4L31 I32 F33 W38 L39L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.46Å; I32-A35 WeakPolarHBondContact O-CB 3.43Å; I32-A35 PolarHBondContact O-N 3.26Å; F33-A35 VanDerWaalsContact C-N 3.32Å; F33-A35 PolarHBondContact O-N 2.93Å; A35-W38 PolarHBondContact O-N 3.46Å; A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 PolarHBondContact O-N 2.88Å
36I95.6Very high92.8Very high90 Ų9099.4 Ų99.446%0.46252%0.52SS..Hα-helixtrans-64.8-45.7174.9-66.8166.4000110.7I32 F33 W38 L39 L40I32-I36 HydrophobicContact CG2-CD1 3.99Å; I32-I36 WeakPolarHBondContact O-CG1 3.34Å; I32-I36 PolarHBondContact O-N 3Å; F33-I36 PolarHBondContact O-N 3.24Å; I36-W38 VanDerWaalsContact C-N 3.29Å; I36-W38 PolarHBondContact O-N 3.22Å; I36-L39 WeakPolarHBondContact O-CB 3.33Å; I36-L39 PolarHBondContact O-N 3.23Å; I36-L40 HydrophobicContact CG2-CD1 4.14Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.86Å
37M95.2Very high93.4Very high102 Ų10294.1 Ų94.150%0.50250%0.504SS..Hα-helixtrans-61.5-38.7177.1-70.4-63.9-7000111.9F33 V34 L40 A41F33-M37 HydrophobicContact CD1-CG 4.24Å; F33-M37 HydrophobicContact CE1-CG 3.87Å; F33-M37 HydrophobicContact CE2-CG 4.46Å; F33-M37 HydrophobicContact CZ-CG 3.99Å; F33-M37 HydrophobicContact CZ-SD 4.11Å; F33-M37 WeakPolarHBondContact O-CG 3.37Å; F33-M37 PolarHBondContact O-N 3.41Å; V34-M37 PolarHBondContact O-N 2.99Å; M37-L40 PolarHBondContact O-N 3.4Å; M37-L40 HydrophobicContact SD-CD1 4.47Å; M37-A41 WeakPolarHBondContact O-CB 3.34Å; M37-A41 PolarHBondContact O-N 3.27Å
38W96.4Very high93.9Very high178 Ų17893.7 Ų93.767%0.67450%0.503SS*.Hα-helixtrans-66.9-42.1175.6-173.178.4000112.1V34 A35 I36 A41 I42V34-W38 WeakPolarHBondContact O-CB 3.49Å; V34-W38 PolarHBondContact O-N 2.9Å; A35-W38 PolarHBondContact O-N 3.46Å; I36-W38 VanDerWaalsContact C-N 3.29Å; I36-W38 PolarHBondContact O-N 3.22Å; W38-A41 PolarHBondContact O-N 3.36Å; W38-I42 HydrophobicContact CD2-CD1 3.67Å; W38-I42 HydrophobicContact CD2-CG1 4.48Å; W38-I42 HydrophobicContact CE3-CD1 3.51Å; W38-I42 HydrophobicContact CH2-CD1 3.35Å; W38-I42 HydrophobicContact CZ2-CD1 3.51Å; W38-I42 HydrophobicContact CZ3-CD1 3.35Å; W38-I42 WeakPolarHBondContact O-CG1 3.19Å; W38-I42 PolarHBondContact O-N 3.49Å
39L96.6Very high94.1Very high101 Ų10193 Ų9353%0.52950%0.499SS..Hα-helixtrans-60.5-45.6174-169.7103.2000111.5A35 I36 A41 I42 I43A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 PolarHBondContact O-N 2.88Å; I36-L39 WeakPolarHBondContact O-CB 3.33Å; I36-L39 PolarHBondContact O-N 3.23Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.93Å; L39-I42 PolarHBondContact O-N 2.96Å; L39-I43 HydrophobicContact CD2-CD1 3.96Å; L39-I43 HydrophobicContact CG-CD1 4.18Å; L39-I43 WeakPolarHBondContact O-CG1 3.33Å; L39-I43 PolarHBondContact O-N 3.28Å
40L96.4Very high94.4Very high83 Ų8394.2 Ų94.244%0.43550%0.497SS..Hα-helixtrans-61.1-40.2175.8-72.9170.1000112I36 M37 I43 N44I36-L40 HydrophobicContact CG2-CD1 4.14Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.86Å; M37-L40 PolarHBondContact O-N 3.4Å; M37-L40 HydrophobicContact SD-CD1 4.47Å; L40-I43 PolarHBondContact O-N 3.46Å; L40-N44 WeakPolarHBondContact O-CB 3.46Å; L40-N44 PolarHBondContact O-N 3.49Å; L40-N44 PolarHBondContact O-ND2 2.85Å
41A96.4Very high94.4Very high57 Ų5793.5 Ų93.547%0.47149%0.493SS..Hα-helixtrans-63.5-40.8175.600000112.1M37 W38 L39 N44 L45M37-A41 WeakPolarHBondContact O-CB 3.34Å; M37-A41 PolarHBondContact O-N 3.27Å; W38-A41 PolarHBondContact O-N 3.36Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 2.93Å; A41-N44 PolarHBondContact O-N 3.23Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.29Å
42I96.6Very high94.2Very high68 Ų6892.7 Ų92.735%0.34949%0.489SS..Hα-helixtrans-64.7-43.4175.3-69.7170.7000111.1W38 L39 L45 L46W38-I42 HydrophobicContact CD2-CD1 3.67Å; W38-I42 HydrophobicContact CD2-CG1 4.48Å; W38-I42 HydrophobicContact CE3-CD1 3.51Å; W38-I42 HydrophobicContact CH2-CD1 3.35Å; W38-I42 HydrophobicContact CZ2-CD1 3.51Å; W38-I42 HydrophobicContact CZ3-CD1 3.35Å; W38-I42 WeakPolarHBondContact O-CG1 3.19Å; W38-I42 PolarHBondContact O-N 3.49Å; L39-I42 PolarHBondContact O-N 2.96Å; I42-L45 PolarHBondContact O-N 2.93Å; I42-L46 WeakPolarHBondContact O-CB 3.34Å; I42-L46 PolarHBondContact O-N 2.93Å
43I96.6Very high93.9Very high81 Ų8192.9 Ų92.942%0.41549%0.494SS..Hα-helixtrans-61.7-45.7177.3-67.9166.4000110.2L39 L40 L45 L46 C47L39-I43 HydrophobicContact CD2-CD1 3.96Å; L39-I43 HydrophobicContact CG-CD1 4.18Å; L39-I43 WeakPolarHBondContact O-CG1 3.33Å; L39-I43 PolarHBondContact O-N 3.28Å; L40-I43 PolarHBondContact O-N 3.46Å; I43-L45 VanDerWaalsContact C-N 3.34Å; I43-L45 PolarHBondContact O-N 3.46Å; I43-L46 PolarHBondContact O-N 3.42Å; I43-C47 WeakPolarHBondContact O-CB 3.29Å; I43-C47 PolarHBondContact O-N 3.48Å; I43-C47 PolarHBondContact O-SG 2.87Å
44N96.3Very high93.5Very high99 Ų9994.5 Ų94.553%0.52950%0.501SS..Hα-helixtrans-63.1-40176.6-74.9-21.5000112.3L40 A41 C47 N48L40-N44 WeakPolarHBondContact O-CB 3.46Å; L40-N44 PolarHBondContact O-N 3.49Å; L40-N44 PolarHBondContact O-ND2 2.85Å; A41-N44 PolarHBondContact O-N 3.23Å; N44-C47 PolarHBondContact O-N 3.45Å; N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 VanDerWaalsContact O-CG 3.28Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 3.23Å
45L96Very high92.8Very high103 Ų10395.3 Ų95.354%0.53950%0.503SS..Hα-helixtrans-61.8-45174.2-179.366.7000111A41 I42 I43 N48 I49A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.29Å; I42-L45 PolarHBondContact O-N 2.93Å; I43-L45 VanDerWaalsContact C-N 3.34Å; I43-L45 PolarHBondContact O-N 3.46Å; L45-N48 PolarHBondContact O-N 3.28Å; L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CG-CD1 4.01Å; L45-I49 VanDerWaalsContact O-CG1 3.29Å; L45-I49 WeakPolarHBondContact O-CG1 3.35Å; L45-I49 PolarHBondContact O-N 2.88Å
46L96.2Very high91.8Very high104 Ų10498.5 Ų98.555%0.54551%0.506SS..Hα-helixtrans-64.9-44179.3-15777.6000111.4I42 I43 N48 I49 L50I42-L46 WeakPolarHBondContact O-CB 3.34Å; I42-L46 PolarHBondContact O-N 2.93Å; I43-L46 PolarHBondContact O-N 3.42Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 3.42Å; L46-I49 PolarHBondContact O-N 3.36Å; L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.98Å
47C94.8Very high90.6Very high62 Ų6298.2 Ų98.242%0.41951%0.505SS..Hα-helixtrans-59.1-43.7173.3-74.60000111.8I43 N44 L50 L51I43-C47 WeakPolarHBondContact O-CB 3.29Å; I43-C47 PolarHBondContact O-N 3.48Å; I43-C47 PolarHBondContact O-SG 2.87Å; N44-C47 PolarHBondContact O-N 3.45Å; C47-L50 PolarHBondContact O-N 2.83Å; C47-L51 WeakPolarHBondContact O-CB 3.19Å; C47-L51 WeakPolarHBondContact O-CG 3.5Å; C47-L51 PolarHBondContact O-N 3.27Å
48N92.3Very high89.2Confident97 Ų9796.8 Ų96.852%0.51951%0.505SS..Hα-helixtrans-63.7-41.2176.8-75.6-23000112.1N44 L45 L46 L51 L52N44-N48 WeakPolarHBondContact O-CB 3.47Å; N44-N48 VanDerWaalsContact O-CG 3.28Å; N44-N48 PolarHBondContact O-N 3.32Å; N44-N48 PolarHBondContact O-ND2 3.23Å; L45-N48 PolarHBondContact O-N 3.28Å; L46-N48 VanDerWaalsContact C-N 3.34Å; L46-N48 PolarHBondContact O-N 3.42Å; N48-L51 PolarHBondContact O-N 2.97Å; N48-L52 WeakPolarHBondContact O-CG 3.46Å; N48-L52 PolarHBondContact O-N 3.22Å
49I92.4Very high87.7Confident83 Ų8398.4 Ų98.443%0.42652%0.52SS..Hα-helixtrans-63.4-45.1174.8-68.1165.6000110.5L45 L46 L51 L52 V53L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CG-CD1 4.01Å; L45-I49 VanDerWaalsContact O-CG1 3.29Å; L45-I49 WeakPolarHBondContact O-CG1 3.35Å; L45-I49 PolarHBondContact O-N 2.88Å; L46-I49 PolarHBondContact O-N 3.36Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 2.87Å; I49-L52 PolarHBondContact O-N 2.99Å; I49-V53 HydrophobicContact CG2-CG2 4.45Å; I49-V53 WeakPolarHBondContact O-CG2 3.36Å; I49-V53 PolarHBondContact O-N 3.47Å
50L91.8Very high85.8Confident84 Ų84101 Ų10144%0.4453%0.53SS..Hα-helixtrans-60.1-44.5176.3-72.8171.4000111.3L46 C47 L52 V53 F54L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.98Å; C47-L50 PolarHBondContact O-N 2.83Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 3.48Å; L50-V53 PolarHBondContact O-N 3.39Å; L50-F54 HydrophobicContact CB-CD2 4.29Å; L50-F54 HydrophobicContact CB-CE2 4.46Å; L50-F54 HydrophobicContact CD2-CE2 4.21Å; L50-F54 WeakPolarHBondContact O-CB 3.34Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 3.34Å
51L89.1Confident83.9Confident98 Ų9897.8 Ų97.851%0.51352%0.516SS..Hα-helixtrans-59.2-44175.3-75.3174.7000111.7C47 N48 I49 V53 L55C47-L51 WeakPolarHBondContact O-CB 3.19Å; C47-L51 WeakPolarHBondContact O-CG 3.5Å; C47-L51 PolarHBondContact O-N 3.27Å; N48-L51 PolarHBondContact O-N 2.97Å; I49-L51 VanDerWaalsContact C-N 3.35Å; I49-L51 PolarHBondContact O-N 2.87Å; L51-V53 PolarHBondContact O-N 2.85Å; L51-L55 HydrophobicContact CB-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.48Å; L51-L55 WeakPolarHBondContact O-CG 3.35Å; L51-L55 PolarHBondContact O-N 3.45Å
52L86.5Confident82.4Confident96 Ų9698.8 Ų98.850%0.50351%0.512SS..Hα-helixtrans-62.4-41.3177.1-73.6169.2000112.4N48 I49 L50 K56 L57N48-L52 WeakPolarHBondContact O-CG 3.46Å; N48-L52 PolarHBondContact O-N 3.22Å; I49-L52 PolarHBondContact O-N 2.99Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 3.48Å; L52-K56 PolarHBondContact O-N 2.77Å; L52-K56 VanDerWaalsContact O-N 3.13Å; L52-L57 HydrophobicContact CD2-CB 4.15Å; L52-L57 PolarHBondContact O-N 3.19Å
53V85Confident80.8Confident100 Ų100101.3 Ų101.361%0.60652%0.523SS*.Hα-helixtrans-69.3-46.7178.3172.80000111.3I49 L50 L51 K56I49-V53 HydrophobicContact CG2-CG2 4.45Å; I49-V53 WeakPolarHBondContact O-CG2 3.36Å; I49-V53 PolarHBondContact O-N 3.47Å; L50-V53 PolarHBondContact O-N 3.39Å; L51-V53 PolarHBondContact O-N 2.85Å; V53-K56 PolarHBondContact O-N 3.31Å
54F84.3Confident79.4Confident165 Ų16599.3 Ų99.372%0.72452%0.516SS*.Hα-helixtrans-69.3-41.5-179.3-83.1-65.2000112.7L50 K56L50-F54 HydrophobicContact CB-CD2 4.29Å; L50-F54 HydrophobicContact CB-CE2 4.46Å; L50-F54 HydrophobicContact CD2-CE2 4.21Å; L50-F54 WeakPolarHBondContact O-CB 3.34Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 3.34Å; F54-K56 PolarHBondContact O-N 2.95Å
55L80.4Confident78.2Confident96 Ų9696.5 Ų96.550%0.50350%0.501SS..THydrogen-bonded Turntrans-75-6.7175.5-69.1162.3000112.3L51 L57L51-L55 HydrophobicContact CB-CD1 4.42Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.48Å; L51-L55 WeakPolarHBondContact O-CG 3.35Å; L51-L55 PolarHBondContact O-N 3.45Å; L55-L57 HydrophobicContact CB-CD1 3.59Å; L55-L57 HydrophobicContact CB-CG 3.73Å; L55-L57 HydrophobicContact CD1-CD1 3.76Å; L55-L57 HydrophobicContact CG-CD1 4.27Å; L55-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact O-N 3.15Å
56K73Confident77Confident122 Ų12295.1 Ų95.153%0.5349%0.491SS..THydrogen-bonded Turntrans47.839.8-175.4-66.1-176.2161-158.30112.3L52 V53 F54 S58 M62 E63L52-K56 PolarHBondContact O-N 2.77Å; L52-K56 VanDerWaalsContact O-N 3.13Å; V53-K56 PolarHBondContact O-N 3.31Å; F54-K56 PolarHBondContact O-N 2.95Å; K56-S58 PolarHBondContact O-N 3.32Å; K56-M62 WeakPolarHBondContact O-CA 3.49Å; K56-E63 IonicContact NZ-OE2 2.77Å; K56-E63 PolarHBondContact NZ-OE2 2.82Å
57L70.5Confident76.1Confident84 Ų8497 Ų9744%0.4450%0.495SS..EExtended strand (participates in β ladder)trans-82.1104.4179.7-72.8162.6000108.7L52 L55 M62L52-L57 HydrophobicContact CD2-CB 4.15Å; L52-L57 PolarHBondContact O-N 3.19Å; L55-L57 HydrophobicContact CB-CD1 3.59Å; L55-L57 HydrophobicContact CB-CG 3.73Å; L55-L57 HydrophobicContact CD1-CD1 3.76Å; L55-L57 HydrophobicContact CG-CD1 4.27Å; L55-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact O-N 3.15Å; L57-M62 HydrophobicContact CD2-CG 3.98Å
58S66.2Low75.2Confident72 Ų7295.4 Ų95.450%0.50349%0.489SS..EExtended strand (participates in β ladder)trans-89.7165.7169.482.20000110.8K56 Q60 G61K56-S58 PolarHBondContact O-N 3.32Å; S58-Q60 PolarHBondContact O-N 3.19Å; S58-Q60 PolarHBondContact OG-N 3.03Å; S58-G61 WeakPolarHBondContact CA-O 3.38Å; S58-G61 WeakPolarHBondContact CB-O 3.42Å; S58-G61 PolarHBondContact N-O 2.77Å; S58-G61 PolarHBondContact O-N 3.33Å; S58-G61 PolarHBondContact OG-N 3.13Å; S58-G61 PolarHBondContact OG-O 3.48Å
59Q65.2Low74.4Confident212 Ų21298 Ų9899%0.99150%0.499SS*.THydrogen-bonded Turntrans-57.1-17.4172.7-85.4-176.3-11.700113.6
60Q55.8Low73.4Confident155 Ų15597.4 Ų97.472%0.72450%0.496SS*.THydrogen-bonded Turntrans-104.70.8178.4-68.2176.4-12.100113.4S58S58-Q60 PolarHBondContact O-N 3.19Å; S58-Q60 PolarHBondContact OG-N 3.03Å
61G56.7Low72.4Confident15 Ų15101 Ų10116%0.15552%0.516CS..EExtended strand (participates in β ladder)trans123.1-171.2-178.500000113.6S58S58-G61 WeakPolarHBondContact CA-O 3.38Å; S58-G61 WeakPolarHBondContact CB-O 3.42Å; S58-G61 PolarHBondContact N-O 2.77Å; S58-G61 PolarHBondContact O-N 3.33Å; S58-G61 PolarHBondContact OG-N 3.13Å; S58-G61 PolarHBondContact OG-O 3.48Å
62M65Low71.4Confident78 Ų78102.4 Ų102.438%0.38452%0.524SS..EExtended strand (participates in β ladder)trans-70.1141.9169.5-70172.458.800108.7K56 L57 S64 L65K56-M62 WeakPolarHBondContact O-CA 3.49Å; L57-M62 HydrophobicContact CD2-CG 3.98Å; M62-S64 PolarHBondContact O-N 2.87Å; M62-L65 HydrophobicContact CB-CB 4.29Å; M62-L65 CarbonylContact O-C 3.4Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact SD-CD1 4.1Å
63E63Low70.7Confident121 Ų12199.8 Ų99.857%0.56552%0.52SS*.THydrogen-bonded Turntrans-49.6-29.1177.2-171.7-178.6-172.300113K56 H66 A80K56-E63 IonicContact NZ-OE2 2.77Å; K56-E63 PolarHBondContact NZ-OE2 2.82Å; E63-H66 PolarHBondContact O-CE1 3Å; E63-A80 WeakPolarHBondContact O-CB 3.42Å
64S66.3Low70.2Confident40 Ų4099.5 Ų99.528%0.2852%0.515SS..THydrogen-bonded Turntrans-86.7-13177.556.30000115.7M62 F79 A80 P81M62-S64 PolarHBondContact O-N 2.87Å; S64-F79 WeakPolarHBondContact O-CA 3.39Å; S64-A80 PolarHBondContact O-N 3.27Å; S64-P81 WeakPolarHBondContact O-CD 3.41Å
65L72.3Confident69.8Low39 Ų3996.6 Ų96.620%0.20452%0.516CS..EExtended strand (participates in β ladder)trans-133.2103.6-173-66.7171.6000110.3M62 V77 Q78 F79M62-L65 HydrophobicContact CB-CB 4.29Å; M62-L65 CarbonylContact O-C 3.4Å; M62-L65 PolarHBondContact O-N 2.93Å; M62-L65 HydrophobicContact SD-CD1 4.1Å; L65-V77 HydrophobicContact CD2-CG1 3.88Å; L65-Q78 CarbonylContact C-O 3.6Å; L65-Q78 WeakPolarHBondContact CA-O 3.49Å; L65-F79 HydrophobicContact CD2-CD1 3.38Å; L65-F79 HydrophobicContact CD2-CE1 3.29Å; L65-F79 HydrophobicContact CD2-CG 4.27Å; L65-F79 HydrophobicContact CD2-CZ 4.1Å
66H70.7Confident69.6Low74 Ų7494.7 Ų94.734%0.34351%0.508SS..EExtended strand (participates in β ladder)trans-95.5125.9173.5-72.362.2000109.5E63 Q78E63-H66 PolarHBondContact O-CE1 3Å; H66-Q78 HydrophobicContact CB-CB 4.1Å; H66-Q78 HydrophobicContact CB-CG 4.48Å; H66-Q78 PolarHBondContact N-O 3.06Å; H66-Q78 PolarHBondContact O-N 3.28Å
67F76.7Confident69.9Low143 Ų14392.5 Ų92.563%0.62750%0.504SS*.EExtended strand (participates in β ladder)trans-92.2108.6171.8-62.2-84.7000108V77F67-V77 HydrophobicContact CD1-CG2 3.8Å; F67-V77 HydrophobicContact CE1-CG1 4.22Å; F67-V77 HydrophobicContact CE1-CG2 3.72Å
68G75.8Confident70.1Confident29 Ų2992 Ų9230%0.29950%0.5SS..EExtended strand (participates in β ladder)trans-118179.3-179.300000112.3V76G68-V76 PolarHBondContact N-O 3.37Å; G68-V76 PolarHBondContact O-N 2.79Å
69Q75.6Confident70.7Confident153 Ų15392.4 Ų92.472%0.71549%0.493SS*.EExtended strand (participates in β ladder)trans-114.1138.2163.2-69.2-178.57.400108.5D74Q69-D74 VanDerWaalsContact CA-O 3.3Å; Q69-D74 WeakPolarHBondContact CA-O 3.4Å
70D71.6Confident70.8Confident70 Ų7084.6 Ų84.637%0.37446%0.464SS..  trans-68.1170168.5-17628.1000110.5N72 G73 D74 V76D70-N72 PolarHBondContact O-N 3.03Å; D70-N72 PolarHBondContact OD2-ND2 3.28Å; D70-G73 PolarHBondContact O-N 2.83Å; D70-D74 PolarHBondContact N-O 2.7Å; D70-V76 HydrophobicContact CB-CG1 3.91Å
71D69.7Low71.3Confident160 Ų16079.7 Ų79.786%0.85645%0.446SS*.THydrogen-bonded Turntrans-53-25.4174.2-69.2-26.3000112.6
72N69.5Low71.7Confident127 Ų12784.3 Ų84.368%0.67948%0.483SS*.THydrogen-bonded Turntrans-85.7-2.7178.5-59.6-58.2000114.3D70 D74D70-N72 PolarHBondContact O-N 3.03Å; D70-N72 PolarHBondContact OD2-ND2 3.28Å; N72-D74 VanDerWaalsContact C-N 3.32Å
73G72Confident71.8Confident41 Ų4187.5 Ų87.542%0.42350%0.496SS..SBendtrans80.75-174.800000114.9D70D70-G73 PolarHBondContact O-N 2.83Å
74D75Confident72.3Confident93 Ų9384.5 Ų84.550%0.49749%0.486SS..  trans-76.1136.9178-77.8-32.1000111Q69 D70 N72 V76Q69-D74 VanDerWaalsContact CA-O 3.3Å; Q69-D74 WeakPolarHBondContact CA-O 3.4Å; D70-D74 PolarHBondContact N-O 2.7Å; N72-D74 VanDerWaalsContact C-N 3.32Å; D74-V76 PolarHBondContact O-N 2.91Å
75S75.5Confident72.5Confident105 Ų10592.2 Ų92.273%0.73451%0.511SS*.EExtended strand (participates in β ladder)trans-66.4117.4177.260.30000110.7
76V76.5Confident72.6Confident56 Ų5694.3 Ų94.334%0.33952%0.522SS..EExtended strand (participates in β ladder)trans-115.1142.5178.1-67.70000110.8G68 D70 D74G68-V76 PolarHBondContact N-O 3.37Å; G68-V76 PolarHBondContact O-N 2.79Å; D70-V76 HydrophobicContact CB-CG1 3.91Å; D74-V76 PolarHBondContact O-N 2.91Å
77V78.3Confident72.6Confident75 Ų75100.5 Ų100.546%0.45555%0.551SS.*EExtended strand (participates in β ladder)trans-103.2114171.4-175.70000107L65 F67L65-V77 HydrophobicContact CD2-CG1 3.88Å; F67-V77 HydrophobicContact CD1-CG2 3.8Å; F67-V77 HydrophobicContact CE1-CG1 4.22Å; F67-V77 HydrophobicContact CE1-CG2 3.72Å
78Q75.2Confident72.3Confident75 Ų75101.1 Ų101.135%0.3556%0.556SS.*EExtended strand (participates in β ladder)trans-98.8125.3179.9174.9-174-4.800109L65 H66 Y99L65-Q78 CarbonylContact C-O 3.6Å; L65-Q78 WeakPolarHBondContact CA-O 3.49Å; H66-Q78 HydrophobicContact CB-CB 4.1Å; H66-Q78 HydrophobicContact CB-CG 4.48Å; H66-Q78 PolarHBondContact N-O 3.06Å; H66-Q78 PolarHBondContact O-N 3.28Å; Q78-Y99 PolarHBondContact NE2-OH 3.29Å
79F77.6Confident72.1Confident80 Ų80103.9 Ų103.935%0.35157%0.566SS.*EExtended strand (participates in β ladder)trans-84.8115.2169.7-62.7-86.5000108S64 L65 P81 T84 L86S64-F79 WeakPolarHBondContact O-CA 3.39Å; L65-F79 HydrophobicContact CD2-CD1 3.38Å; L65-F79 HydrophobicContact CD2-CE1 3.29Å; L65-F79 HydrophobicContact CD2-CG 4.27Å; L65-F79 HydrophobicContact CD2-CZ 4.1Å; F79-P81 VanDerWaalsContact C-CD 3.49Å; F79-T84 HydrophobicContact CB-CG2 3.84Å; F79-T84 HydrophobicContact CD1-CG2 4.08Å; F79-T84 HydrophobicContact CG-CG2 4.27Å; F79-L86 HydrophobicContact CD1-CD1 4.43Å; F79-L86 HydrophobicContact CE1-CD1 3.8Å; F79-L86 HydrophobicContact CE1-CD2 3.97Å; F79-L86 HydrophobicContact CE1-CG 4.48Å; F79-L86 HydrophobicContact CE2-CD1 3.99Å; F79-L86 HydrophobicContact CZ-CD1 3.57Å; F79-L86 HydrophobicContact CZ-CD2 4.37Å
80A67.7Low71.8Confident47 Ų47101.9 Ų101.939%0.38856%0.564SS.*  trans-75.6-30.4178.400000115.2E63 S64E63-A80 WeakPolarHBondContact O-CB 3.42Å; S64-A80 PolarHBondContact O-N 3.27Å
81P67Low71.8Confident53 Ų53100.6 Ų100.634%0.34456%0.561SS.*SBendtrans-65.2144.5178.8-18.831.7000111.6S64 F79 E83 T84S64-P81 WeakPolarHBondContact O-CD 3.41Å; F79-P81 VanDerWaalsContact C-CD 3.49Å; P81-E83 PolarHBondContact O-N 2.94Å; P81-T84 HydrophobicContact CB-CG2 3.75Å; P81-T84 HydrophobicContact CG-CG2 3.69Å
82A65.1Low71.6Confident112 Ų112105.2 Ų105.293%0.92657%0.566SS**SBendtrans-59.8-30.7174.800000112.4
83E67.5Low71.3Confident144 Ų144103 Ų10367%0.67356%0.557SS**  trans-132.7121.9177.3-67.4172.4-166.200109P81P81-E83 PolarHBondContact O-N 2.94Å
84T72.2Confident70.9Confident58 Ų58102.3 Ų102.336%0.35655%0.55SS.*  trans-124.3117.5173.155.10000110.3F79 P81F79-T84 HydrophobicContact CB-CG2 3.84Å; F79-T84 HydrophobicContact CD1-CG2 4.08Å; F79-T84 HydrophobicContact CG-CG2 4.27Å; P81-T84 HydrophobicContact CB-CG2 3.75Å; P81-T84 HydrophobicContact CG-CG2 3.69Å
85Y71.1Confident70.5Confident202 Ų202102.1 Ų102.179%0.79255%0.553SS**  trans-85.9113.4172.4-62.1-78.4000109.3
86L74Confident70.5Confident83 Ų83101.1 Ų101.144%0.43554%0.542SS..  trans-120.3119.3177.8-60.3170000108.1F79 H88 V89F79-L86 HydrophobicContact CD1-CD1 4.43Å; F79-L86 HydrophobicContact CE1-CD1 3.8Å; F79-L86 HydrophobicContact CE1-CD2 3.97Å; F79-L86 HydrophobicContact CE1-CG 4.48Å; F79-L86 HydrophobicContact CE2-CD1 3.99Å; F79-L86 HydrophobicContact CZ-CD1 3.57Å; F79-L86 HydrophobicContact CZ-CD2 4.37Å; L86-H88 VanDerWaalsContact C-N 3.34Å; L86-V89 HydrophobicContact CB-CG2 3.51Å; L86-V89 HydrophobicContact CD1-CG2 3.51Å; L86-V89 HydrophobicContact CG-CG2 4.13Å
87E71Confident70.3Confident204 Ų204101.1 Ų101.195%0.95355%0.553SS**SBendtrans-66.3-38178.5-174.1-179.8177.400111.6
88H70.7Confident70.1Confident157 Ų15799.6 Ų99.673%0.72755%0.553SS**  trans-148.5123-179.8-172.4-112.6000111.3L86 V90L86-H88 VanDerWaalsContact C-N 3.34Å; H88-V90 WeakPolarHBondContact CE1-CG2 3.49Å; H88-V90 WeakPolarHBondContact ND1-CG2 3.3Å
89V71.3Confident69.9Low86 Ų86102.3 Ų102.352%0.52156%0.561SS.*  trans-113.8117.9179.2-175.80000109.6L86L86-V89 HydrophobicContact CB-CG2 3.51Å; L86-V89 HydrophobicContact CD1-CG2 3.51Å; L86-V89 HydrophobicContact CG-CG2 4.13Å
90V70.5Confident69.7Low111 Ų111107.7 Ų107.767%0.67359%0.587SS**  trans-118.6111173.4-174.20000109H88H88-V90 WeakPolarHBondContact CE1-CG2 3.49Å; H88-V90 WeakPolarHBondContact ND1-CG2 3.3Å
91S70Confident69.8Low43 Ų43109.5 Ų109.530%0.30161%0.61SS.*  trans-91.7129.2171.91740000110.2T93 G94 T95S91-T93 VanDerWaalsContact C-N 3.33Å; S91-T93 PolarHBondContact OG-N 3.22Å; S91-T93 PolarHBondContact OG-OG1 3.13Å; S91-G94 PolarHBondContact O-N 3.13Å; S91-G94 PolarHBondContact OG-N 2.88Å; S91-G94 VanDerWaalsContact OG-N 3.13Å; S91-T95 PolarHBondContact OG-N 3.4Å; S91-T95 PolarHBondContact OG-O 3.3Å; S91-T95 VanDerWaalsContact OG-O 3.13Å
92R65.1Low70.1Confident257 Ų257110.9 Ų110.997%0.9762%0.618SS**SBendtrans-67.4-35.2174-173.1179.7-178.2-174.60.8111.9G94R92-G94 VanDerWaalsContact C-N 3.29Å
93T63.5Low70.2Confident81 Ų81110.3 Ų110.350%0.49761%0.605SS.*SBendtrans-77.6-18.9176.857.10000111.8S91 T95S91-T93 VanDerWaalsContact C-N 3.33Å; S91-T93 PolarHBondContact OG-N 3.22Å; S91-T93 PolarHBondContact OG-OG1 3.13Å; T93-T95 PolarHBondContact O-N 2.82Å; T93-T95 PolarHBondContact OG1-N 2.76Å; T93-T95 PolarHBondContact OG1-OG1 2.96Å
94G65.3Low70.6Confident27 Ų27107.5 Ų107.528%0.27859%0.594SS.*  trans72.812.9-17400000113S91 R92S91-G94 PolarHBondContact O-N 3.13Å; S91-G94 PolarHBondContact OG-N 2.88Å; S91-G94 VanDerWaalsContact OG-N 3.13Å; R92-G94 VanDerWaalsContact C-N 3.29Å
95T66Low70.4Confident89 Ų89111.3 Ų111.355%0.54661%0.612SS.*  trans-106.8134.3177.455.60000110.2S91 T93S91-T95 PolarHBondContact OG-N 3.4Å; S91-T95 PolarHBondContact OG-O 3.3Å; S91-T95 VanDerWaalsContact OG-O 3.13Å; T93-T95 PolarHBondContact O-N 2.82Å; T93-T95 PolarHBondContact OG1-N 2.76Å; T93-T95 PolarHBondContact OG1-OG1 2.96Å
96V74Confident70.4Confident83 Ų83106.5 Ų106.550%0.50360%0.599SS.*  trans-131.4134.1168.2-175.80000105.9L104V96-L104 HydrophobicContact CG1-CD2 4.11Å
97G73.1Confident70.1Confident56 Ų56111.5 Ų111.558%0.57762%0.62SS**  trans-156.8150.2-17500000111.1
98G74.6Confident69.9Low44 Ų44104.7 Ų104.745%0.45460%0.599SS.*  trans-93.2-175.7168.200000111.2
99Y71.4Confident69.6Low131 Ų131105.2 Ų105.251%0.51460%0.602SS.*  trans-65.2152.7175.4-59.6-82.7000112Q78 G101 T102Q78-Y99 PolarHBondContact NE2-OH 3.29Å; Y99-G101 PolarHBondContact O-N 2.99Å; Y99-T102 PolarHBondContact O-N 2.97Å
100Q72Confident68.8Low193 Ų193110 Ų11090%0.90261%0.61SS**THydrogen-bonded Turntrans-55.3128174.9-170.2179.323.200110.6T102Q100-T102 PolarHBondContact O-N 2.93Å
101G70.2Confident68.3Low85 Ų85106 Ų10688%0.87659%0.586SS**THydrogen-bonded Turntrans74.91.9179.200000115.4Y99Y99-G101 PolarHBondContact O-N 2.99Å
102T72.6Confident67.6Low83 Ų83107.5 Ų107.551%0.50960%0.596SS.*SBendtrans-108.5131.1175.9-49.80000109.6Y99 Q100Y99-T102 PolarHBondContact O-N 2.97Å; Q100-T102 PolarHBondContact O-N 2.93Å
103P67.7Low67.2Low100 Ų10098.2 Ų98.265%0.64957%0.57SS**  trans-62.1139.517426.9-33.4000110.3
104L75.8Confident67Low84 Ų84101.5 Ų101.544%0.4458%0.577SS.*  trans-98.3103.3170.9176.469.5000108V96 I106V96-L104 HydrophobicContact CG1-CD2 4.11Å; L104-I106 HydrophobicContact CD2-CD1 3.92Å; L104-I106 HydrophobicContact CD2-CG1 4.18Å; L104-I106 HydrophobicContact CG-CD1 4.28Å; L104-I106 HydrophobicContact CG-CG1 3.98Å
105D68.4Low66.6Low138 Ų138102.7 Ų102.774%0.73857%0.574SS**  trans-89.3119.7175.8-66.2-30000109.4
106I72.4Confident66Low101 Ų101106.5 Ų106.552%0.51858%0.583SS.*  trans-114.9106.4177-56.3177.6000107.3L104 V111L104-I106 HydrophobicContact CD2-CD1 3.92Å; L104-I106 HydrophobicContact CD2-CG1 4.18Å; L104-I106 HydrophobicContact CG-CD1 4.28Å; L104-I106 HydrophobicContact CG-CG1 3.98Å; I106-V111 HydrophobicContact CG2-CG2 4.08Å
107E67.2Low64.8Low188 Ų188106 Ų10688%0.87958%0.581SS**  trans-95116.6170.7-65.3-172.2174.800109.5
108A66.8Low63.7Low61 Ų61111.7 Ų111.750%0.50459%0.59SS.*  trans-154.7146.1174.200000110.5R110 V111A108-R110 PolarHBondContact O-N 2.84Å; A108-V111 HydrophobicContact CB-CG2 3.62Å
109E64.2Low62.4Low168 Ų168113.1 Ų113.179%0.78560%0.598SS**SBendtrans-62-33.9175.6-171.6-176.116700111.5
110R54.8Low61.5Low186 Ų186112.5 Ų112.570%0.70260%0.598SS**  trans-144.9116.9173.6-67.6-176.5176.8155.43.3110.4A108A108-R110 PolarHBondContact O-N 2.84Å
111V58.5Low60.2Low27 Ų27110.8 Ų110.816%0.16459%0.587CS.*EExtended strand (participates in β ladder)trans-101.2114.5171.6-177.20000108.6I106 A108 V141 L142I106-V111 HydrophobicContact CG2-CG2 4.08Å; A108-V111 HydrophobicContact CB-CG2 3.62Å; V111-V141 CarbonylContact O-C 3.59Å; V111-V141 VanDerWaalsContact O-CA 3.29Å; V111-V141 WeakPolarHBondContact O-CA 3.29Å; V111-L142 HydrophobicContact CB-CB 4.21Å; V111-L142 HydrophobicContact CB-CD1 4.22Å; V111-L142 HydrophobicContact CG1-CD1 4.25Å; V111-L142 PolarHBondContact N-O 3.35Å; V111-L142 PolarHBondContact O-N 3.25Å
112C55.2Low59.3Low75 Ų75111 Ų11151%0.50757%0.567SS.*EExtended strand (participates in β ladder)trans-114.299.9172.8-1760000109.8V140C112-V140 WeakPolarHBondContact CA-O 3.03Å
113C58.4Low58.5Low63 Ų63114.9 Ų114.943%0.42659%0.585SS.*EExtended strand (participates in β ladder)trans-89.6109175.1-61.60000109.6Y115 S139 V140C113-Y115 PolarHBondContact O-N 2.8Å; C113-S139 VanDerWaalsContact O-CA 3.3Å; C113-S139 WeakPolarHBondContact O-CA 3.41Å; C113-V140 HydrophobicContact CB-CB 4.46Å; C113-V140 PolarHBondContact N-O 3.3Å; C113-V140 PolarHBondContact O-N 2.79Å
114K58.1Low58Low150 Ų150116 Ų11665%0.65258%0.582SS**EExtended strand (participates in β ladder)trans-87.1100.8168.8-70.4-180-177.31750108.9P137 V138K114-P137 HydrophobicContact CB-CB 4.1Å; K114-P137 HydrophobicContact CB-CG 4.03Å; K114-P137 HydrophobicContact CD-CG 4.03Å; K114-P137 HydrophobicContact CG-CG 4.12Å; K114-V138 CarbonylContact C-O 2.96Å; K114-V138 WeakPolarHBondContact CA-O 3.3Å
115Y56.8Low56.7Low52 Ų52115.7 Ų115.720%0.20458%0.576CS.*EExtended strand (participates in β ladder)trans-98.4136.8-174.8-168.9-116.7000111.8C113 K118 V138C113-Y115 PolarHBondContact O-N 2.8Å; Y115-K118 VanDerWaalsContact OH-C 3.27Å; Y115-K118 WeakPolarHBondContact OH-CA 3.45Å; Y115-K118 WeakPolarHBondContact OH-CB 3.35Å; Y115-K118 PolarHBondContact OH-N 3.39Å; Y115-K118 PolarHBondContact OH-O 3.43Å; Y115-V138 PolarHBondContact N-O 3.06Å; Y115-V138 PolarHBondContact O-N 2.7Å
116K53.9Low56.3Low169 Ų169111.1 Ų111.174%0.73555%0.551SS**  trans-94.7131.7159.8-73.5-161.5176.9-172.80108.3K118K116-K118 PolarHBondContact O-N 3.41Å
117P49.9Very low55.7Low73 Ų73110 Ų11047%0.47455%0.545SS..  trans-60.2115.3-172.524.6-33.9000111.5T131P117-T131 HydrophobicContact CG-CG2 4.2Å
118K48.9Very low55.5Low175 Ų175102.2 Ų102.276%0.76151%0.51SS*.  trans-130154.7150.2-78.9-172.7175.3-178.40107.9Y115 K116 K120Y115-K118 VanDerWaalsContact OH-C 3.27Å; Y115-K118 WeakPolarHBondContact OH-CA 3.45Å; Y115-K118 WeakPolarHBondContact OH-CB 3.35Å; Y115-K118 PolarHBondContact OH-N 3.39Å; Y115-K118 PolarHBondContact OH-O 3.43Å; K116-K118 PolarHBondContact O-N 3.41Å; K118-K120 PolarHBondContact O-N 2.89Å
119A47.9Very low55.4Low74 Ų74100.4 Ų100.461%0.61249%0.492SS*.PPolyproline II helixtrans-73.3116.7176.700000108.9
120K51.8Low55.3Low118 Ų11896.4 Ų96.451%0.51347%0.473SS..EExtended strand (participates in β ladder)trans-100.7129.6171.1-165.7173.1-177-178.40109.9K118K118-K120 PolarHBondContact O-N 2.89Å
121K44.7Very low55.7Low157 Ų15789.3 Ų89.368%0.68345%0.451SS*.EExtended strand (participates in β ladder)trans-83.5117.4175.3-165.1168.7-172.4-175.20107.6L160K121-L160 HydrophobicContact CD-CD1 4.17Å; K121-L160 HydrophobicContact CD-CD2 4.13Å; K121-L160 HydrophobicContact CG-CD1 3.57Å; K121-L160 HydrophobicContact CG-CD2 3.68Å; K121-L160 HydrophobicContact CG-CG 4.17Å
122I52Low55.7Low89 Ų8994.6 Ų94.646%0.45648%0.478SS..  trans-109.1144.3163.4-54.8168.3000105.5E124 F125 I127 L160I122-E124 PolarHBondContact O-N 3.31Å; I122-F125 WeakPolarHBondContact CB-O 3.47Å; I122-F125 PolarHBondContact N-O 2.78Å; I122-F125 PolarHBondContact O-N 2.8Å; I122-F125 VanDerWaalsContact O-N 3.17Å; I122-I127 HydrophobicContact CD1-CD1 4.44Å; I122-L160 WeakPolarHBondContact O-CD2 3.12Å
123D55.1Low55.7Low164 Ų16494.5 Ų94.588%0.87748%0.475SS*.SBendtrans-44.6-26.9-162.2-64.2-40.5000116.7
124E56.9Low55.8Low125 Ų12598 Ų9858%0.58450%0.501SS*.SBendtrans-125.4-27.8177-163.4177.5179.700114.4I122 L160I122-E124 PolarHBondContact O-N 3.31Å; E124-L160 WeakPolarHBondContact O-CB 3.45Å; E124-L160 PolarHBondContact O-N 3.24Å; E124-L160 VanDerWaalsContact O-N 3.15Å
125F49.4Very low56Low76 Ų7695.4 Ų95.433%0.33350%0.501SS..EExtended strand (participates in β ladder)trans-131.2137-172.3-58.6-74.5000112.5I122 V157 R158 R159 I166I122-F125 WeakPolarHBondContact CB-O 3.47Å; I122-F125 PolarHBondContact N-O 2.78Å; I122-F125 PolarHBondContact O-N 2.8Å; I122-F125 VanDerWaalsContact O-N 3.17Å; F125-V157 HydrophobicContact CB-CG1 4.38Å; F125-V157 HydrophobicContact CD1-CG1 4.3Å; F125-R158 WeakPolarHBondContact CA-O 3.46Å; F125-R159 HydrophobicContact CE1-CG 4.43Å; F125-I166 HydrophobicContact CD1-CD1 3.65Å; F125-I166 HydrophobicContact CE1-CD1 3.38Å
126Q60.5Low56.4Low43 Ų4395.3 Ų95.320%0.20151%0.508CS..EExtended strand (participates in β ladder)trans-100.7117.3170.5-172.4-174.460.400109.5V128 R158 L160Q126-V128 HydrophobicContact CG-CG2 3.72Å; Q126-R158 HydrophobicContact CB-CB 4.34Å; Q126-R158 PolarHBondContact N-O 2.88Å; Q126-R158 PolarHBondContact O-N 3.02Å; Q126-L160 HydrophobicContact CB-CD1 4.29Å
127I58.5Low57Low78 Ų7889.9 Ų89.940%0.449%0.49SS..EExtended strand (participates in β ladder)trans-91119.5170.4-58.1175.1000107.8I122 L129 F155I122-I127 HydrophobicContact CD1-CD1 4.44Å; I127-L129 HydrophobicContact CG2-CD2 4.44Å; I127-L129 HydrophobicContact CG2-CG 4.49Å; I127-F155 HydrophobicContact CG2-CD2 4.44Å; I127-F155 HydrophobicContact CG2-CE2 3.77Å; I127-F155 HydrophobicContact CG2-CZ 4.47Å
128V62.5Low58Low24 Ų2486.4 Ų86.415%0.14547%0.468CS..EExtended strand (participates in β ladder)trans-117.7119.9178.5-175.60000109.5Q126 Q130 L156Q126-V128 HydrophobicContact CG-CG2 3.72Å; V128-Q130 HydrophobicContact CG1-CG 4.26Å; V128-L156 HydrophobicContact CB-CB 4.32Å; V128-L156 PolarHBondContact N-O 3.35Å; V128-L156 PolarHBondContact O-N 2.89Å; V128-L156 VanDerWaalsContact O-N 3.09Å
129L64.7Low59.2Low22 Ų2278.6 Ų78.612%0.11544%0.435CS..EExtended strand (participates in β ladder)trans-103.7117.7176.2-58.3173.1000108.5I127 V138 V140 I149 F155I127-L129 HydrophobicContact CG2-CD2 4.44Å; I127-L129 HydrophobicContact CG2-CG 4.49Å; L129-V138 HydrophobicContact CB-CG1 4.18Å; L129-V138 HydrophobicContact CD1-CG1 3.76Å; L129-V138 HydrophobicContact CG-CG1 4.44Å; L129-V140 HydrophobicContact CD1-CG2 4.11Å; L129-I149 HydrophobicContact CD2-CD1 4.33Å; L129-I149 HydrophobicContact CD2-CG2 3.89Å; L129-F155 HydrophobicContact CD2-CD2 3.56Å; L129-F155 HydrophobicContact CD2-CE2 4.26Å
130Q62.1Low60.5Low85 Ų8576.4 Ų76.440%0.39741%0.414SS..EExtended strand (participates in β ladder)trans-102.9134.1178.5-63.5-179.8-30.700110.1V128 N153 N154 L156V128-Q130 HydrophobicContact CG1-CG 4.26Å; Q130-N153 PolarHBondContact O-N 3.09Å; Q130-N154 HydrophobicContact CB-CB 4.21Å; Q130-N154 PolarHBondContact N-O 2.97Å; Q130-N154 VanDerWaalsContact N-O 3.08Å; Q130-N154 PolarHBondContact O-N 3.28Å; Q130-N154 PolarHBondContact OE1-ND2 3.23Å; Q130-L156 HydrophobicContact CG-CD1 4.47Å
131T64.1Low61.6Low37 Ų3772.2 Ų72.223%0.22740%0.398CS..  trans-129.9140.9173.3177.40000109.6P117 T133 V138P117-T131 HydrophobicContact CG-CG2 4.2Å; T131-T133 PolarHBondContact OG1-N 3.44Å; T131-T133 PolarHBondContact OG1-O 2.81Å; T131-V138 HydrophobicContact CG2-CG2 4.03Å
132D58.4Low63Low138 Ų13868.4 Ų68.474%0.73839%0.385SS*.SBendtrans-90-21177.5-60.4-2.1000110.5N153D132-N153 WeakPolarHBondContact CB-ND2 2.91Å; D132-N153 PolarHBondContact N-ND2 3.48Å; D132-N153 PolarHBondContact OD1-ND2 3.17Å; D132-N153 PolarHBondContact OD2-ND2 3.23Å
133T54.5Low64.1Low73 Ų7367.2 Ų67.245%0.44838%0.379SS..  trans-109.7125.6-172.759.90000111.2T131 S135T131-T133 PolarHBondContact OG1-N 3.44Å; T131-T133 PolarHBondContact OG1-O 2.81Å; T133-S135 PolarHBondContact O-N 3.31Å
134S60.5Low65Low137 Ų13766.7 Ų66.796%0.95838%0.377SS*.SBendtrans-70.9-10.7170.2570000113.1
135S62.7Low65.8Low95 Ų9565.1 Ų65.166%0.66439%0.394SS*.SBendtrans-84-29.2-168.862.10000114.5T133T133-S135 PolarHBondContact O-N 3.31Å
136S65.3Low67Low50 Ų5069.4 Ų69.435%0.3541%0.408SS..SBendtrans-126.2121.6179.5-66.90000110.5
137P67.8Low67.9Low54 Ų5472.1 Ų72.135%0.35143%0.427SS..  trans-65147.1176.227.9-33.1000110.2K114 S139 N151K114-P137 HydrophobicContact CB-CB 4.1Å; K114-P137 HydrophobicContact CB-CG 4.03Å; K114-P137 HydrophobicContact CD-CG 4.03Å; K114-P137 HydrophobicContact CG-CG 4.12Å; P137-S139 PolarHBondContact O-N 2.82Å; P137-N151 PolarHBondContact O-ND2 2.97Å
138V70.9Confident69Low1 Ų172 Ų721%0.00643%0.425CS..EExtended strand (participates in β ladder)trans-62.2125.8171179.90000107.3K114 Y115 L129 T131 I149 C152K114-V138 CarbonylContact C-O 2.96Å; K114-V138 WeakPolarHBondContact CA-O 3.3Å; Y115-V138 PolarHBondContact N-O 3.06Å; Y115-V138 PolarHBondContact O-N 2.7Å; L129-V138 HydrophobicContact CB-CG1 4.18Å; L129-V138 HydrophobicContact CD1-CG1 3.76Å; L129-V138 HydrophobicContact CG-CG1 4.44Å; T131-V138 HydrophobicContact CG2-CG2 4.03Å; V138-I149 HydrophobicContact CG1-CG2 4.29Å; V138-C152 HydrophobicContact CG1-CB 4.25Å
139S72.4Confident69.9Low10 Ų1073.6 Ų73.67%0.0743%0.432CS..EExtended strand (participates in β ladder)trans-108.8129.2175.547.90000110.5C113 P137 Q150C113-S139 VanDerWaalsContact O-CA 3.3Å; C113-S139 WeakPolarHBondContact O-CA 3.41Å; P137-S139 PolarHBondContact O-N 2.82Å; S139-Q150 PolarHBondContact N-O 3.1Å; S139-Q150 VanDerWaalsContact N-O 3.1Å; S139-Q150 PolarHBondContact O-N 3.31Å; S139-Q150 WeakPolarHBondContact OG-CB 3.48Å
140V75.5Confident70.7Confident28 Ų2876.5 Ų76.517%0.1745%0.445CS..EExtended strand (participates in β ladder)trans-105.5116.6165.3-173.90000106.7C112 C113 L129 L142 V147 Q148 I149C112-V140 WeakPolarHBondContact CA-O 3.03Å; C113-V140 HydrophobicContact CB-CB 4.46Å; C113-V140 PolarHBondContact N-O 3.3Å; C113-V140 PolarHBondContact O-N 2.79Å; L129-V140 HydrophobicContact CD1-CG2 4.11Å; V140-L142 HydrophobicContact CG1-CD1 3.88Å; V140-V147 HydrophobicContact CG1-CG1 3.95Å; V140-Q148 CarbonylContact C-O 3.57Å; V140-Q148 WeakPolarHBondContact CA-O 3.39Å; V140-I149 HydrophobicContact CG1-CG1 4.37Å; V140-I149 HydrophobicContact CG2-CG1 4.38Å; V140-I149 HydrophobicContact CG2-CG2 4.41Å
141V75.5Confident71.4Confident30 Ų3076.4 Ų76.418%0.18245%0.447CS..EExtended strand (participates in β ladder)trans-106.2118.6177.1-177.30000107.8V111 Q148V111-V141 CarbonylContact O-C 3.59Å; V111-V141 VanDerWaalsContact O-CA 3.29Å; V111-V141 WeakPolarHBondContact O-CA 3.29Å; V141-Q148 HydrophobicContact CB-CB 4.28Å; V141-Q148 PolarHBondContact N-O 3.06Å; V141-Q148 PolarHBondContact O-N 2.93Å
142L73Confident71.8Confident78 Ų7876.2 Ų76.241%0.40845%0.447SS..EExtended strand (participates in β ladder)trans-99.3119.9167.9-64.481.9000107V111 V140 V147V111-L142 HydrophobicContact CB-CB 4.21Å; V111-L142 HydrophobicContact CB-CD1 4.22Å; V111-L142 HydrophobicContact CG1-CD1 4.25Å; V111-L142 PolarHBondContact N-O 3.35Å; V111-L142 PolarHBondContact O-N 3.25Å; V140-L142 HydrophobicContact CG1-CD1 3.88Å; L142-V147 HydrophobicContact CG-CG2 4.41Å
143D75.2Confident72.8Confident64 Ų6473.5 Ų73.534%0.34243%0.432SS..EExtended strand (participates in β ladder)trans-129.2164.7177.9-173.527.4000107.5G145 R146D143-G145 PolarHBondContact O-N 2.82Å; D143-R146 PolarHBondContact N-O 3.15Å; D143-R146 PolarHBondContact O-N 3Å; D143-R146 VanDerWaalsContact O-O 3.04Å
144D74.5Confident74Confident153 Ų15370.4 Ų70.482%0.81841%0.413SS*.THydrogen-bonded Turntrans-44.299.6-171.7-85-21.8000113.9R146D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.89Å
145G74.8Confident75.1Confident92 Ų9266.1 Ų66.195%0.94838%0.377SS*.THydrogen-bonded Turntrans69.410-178.700000116.2D143D143-G145 PolarHBondContact O-N 2.82Å
146R73.8Confident76Confident166 Ų16661.9 Ų61.963%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-126.9125.5-177.5-63.3-178.5-177.7-176.42.4111.5D143 D144D143-R146 PolarHBondContact N-O 3.15Å; D143-R146 PolarHBondContact O-N 3Å; D143-R146 VanDerWaalsContact O-O 3.04Å; D144-R146 VanDerWaalsContact C-N 3.26Å; D144-R146 PolarHBondContact O-N 2.89Å
147V80.3Confident76.7Confident99 Ų9960.8 Ų60.860%0.634%0.339SS*.EExtended strand (participates in β ladder)trans-101.3111.8167.1-1770000108.1V140 L142 I149V140-V147 HydrophobicContact CG1-CG1 3.95Å; L142-V147 HydrophobicContact CG-CG2 4.41Å; V147-I149 HydrophobicContact CG1-CG1 4.38Å
148Q81.3Confident77.2Confident76 Ų7661.4 Ų61.436%0.35533%0.334SS..EExtended strand (participates in β ladder)trans-104.8123.1174.9-60.2-173.79.100109.9V140 V141V140-Q148 CarbonylContact C-O 3.57Å; V140-Q148 WeakPolarHBondContact CA-O 3.39Å; V141-Q148 HydrophobicContact CB-CB 4.28Å; V141-Q148 PolarHBondContact N-O 3.06Å; V141-Q148 PolarHBondContact O-N 2.93Å
149I81.8Confident77.4Confident57 Ų5766 Ų6629%0.29235%0.351SS..EExtended strand (participates in β ladder)trans-107118.9173.4-52.3176.1000106.9L129 V138 V140 V147 C152 F155L129-I149 HydrophobicContact CD2-CD1 4.33Å; L129-I149 HydrophobicContact CD2-CG2 3.89Å; V138-I149 HydrophobicContact CG1-CG2 4.29Å; V140-I149 HydrophobicContact CG1-CG1 4.37Å; V140-I149 HydrophobicContact CG2-CG1 4.38Å; V140-I149 HydrophobicContact CG2-CG2 4.41Å; V147-I149 HydrophobicContact CG1-CG1 4.38Å; I149-C152 HydrophobicContact CG2-CB 4.15Å; I149-C152 WeakPolarHBondContact CG2-SG 3.49Å; I149-F155 HydrophobicContact CD1-CD2 3.41Å; I149-F155 VanDerWaalsContact CD1-CD2 3.41Å; I149-F155 HydrophobicContact CD1-CE2 3.41Å; I149-F155 VanDerWaalsContact CD1-CE2 3.41Å; I149-F155 HydrophobicContact CD1-CG 4.38Å; I149-F155 HydrophobicContact CD1-CZ 4.37Å
150Q81.1Confident77.5Confident84 Ų8467.9 Ų67.939%0.39336%0.36SS..EExtended strand (participates in β ladder)trans-119.3157.1-177.3-55.9177.10.300110.3S139 C152S139-Q150 PolarHBondContact N-O 3.1Å; S139-Q150 VanDerWaalsContact N-O 3.1Å; S139-Q150 PolarHBondContact O-N 3.31Å; S139-Q150 WeakPolarHBondContact OG-CB 3.48Å; Q150-C152 PolarHBondContact O-N 3.09Å
151N75.7Confident77.5Confident82 Ų8272.5 Ų72.544%0.43938%0.384SS..SBendtrans57.728.5-178.3-55.3-31.1000114.4P137P137-N151 PolarHBondContact O-ND2 2.97Å
152C74Confident77.6Confident34 Ų3474.3 Ų74.323%0.2340%0.398CS..  trans-108.4133.5168.966.90000110.2V138 I149 Q150V138-C152 HydrophobicContact CG1-CB 4.25Å; I149-C152 HydrophobicContact CG2-CB 4.15Å; I149-C152 WeakPolarHBondContact CG2-SG 3.49Å; Q150-C152 PolarHBondContact O-N 3.09Å
153N78.3Confident77.7Confident80 Ų8072.8 Ų72.843%0.42840%0.401SS..SBendtrans-80.9-29.6173.1-66.5-34000111.7Q130 D132Q130-N153 PolarHBondContact O-N 3.09Å; D132-N153 WeakPolarHBondContact CB-ND2 2.91Å; D132-N153 PolarHBondContact N-ND2 3.48Å; D132-N153 PolarHBondContact OD1-ND2 3.17Å; D132-N153 PolarHBondContact OD2-ND2 3.23Å
154N80.7Confident78Confident9 Ų975 Ų755%0.04841%0.409CS..EExtended strand (participates in β ladder)trans-146.1141.2177.6-161.912.6000111.4Q130 N168 M170Q130-N154 HydrophobicContact CB-CB 4.21Å; Q130-N154 PolarHBondContact N-O 2.97Å; Q130-N154 VanDerWaalsContact N-O 3.08Å; Q130-N154 PolarHBondContact O-N 3.28Å; Q130-N154 PolarHBondContact OE1-ND2 3.23Å; N154-N168 PolarHBondContact OD1-OD1 3.44Å; N154-N168 VanDerWaalsContact OD1-OD1 3.12Å; N154-M170 HydrophobicContact CB-CG 4.47Å
155F83.3Confident78.2Confident46 Ų4671 Ų7120%0.20239%0.391CS..EExtended strand (participates in β ladder)trans-117.7118.3174.6171.3-91.5000108.3I127 L129 I149 V157 F167 A169I127-F155 HydrophobicContact CG2-CD2 4.44Å; I127-F155 HydrophobicContact CG2-CE2 3.77Å; I127-F155 HydrophobicContact CG2-CZ 4.47Å; L129-F155 HydrophobicContact CD2-CD2 3.56Å; L129-F155 HydrophobicContact CD2-CE2 4.26Å; I149-F155 HydrophobicContact CD1-CD2 3.41Å; I149-F155 VanDerWaalsContact CD1-CD2 3.41Å; I149-F155 HydrophobicContact CD1-CE2 3.41Å; I149-F155 VanDerWaalsContact CD1-CE2 3.41Å; I149-F155 HydrophobicContact CD1-CG 4.38Å; I149-F155 HydrophobicContact CD1-CZ 4.37Å; F155-V157 HydrophobicContact CD1-CG2 4.47Å; F155-V157 HydrophobicContact CE1-CG2 3.54Å; F155-V157 HydrophobicContact CZ-CG2 3.66Å; F155-F167 AromaticContact CD1-CD1 3.54Å; F155-F167 HydrophobicContact CD1-CD1 3.54Å; F155-F167 AromaticContact CD1-CE1 3.57Å; F155-F167 HydrophobicContact CD1-CE1 3.57Å; F155-F167 AromaticContact CE1-CD1 3.61Å; F155-F167 HydrophobicContact CE1-CD1 3.61Å; F155-F167 AromaticContact CE1-CE1 3.88Å; F155-F167 HydrophobicContact CE1-CE1 3.88Å; F155-A169 HydrophobicContact CB-CB 3.96Å; F155-A169 PolarHBondContact O-N 2.81Å
156L80.6Confident78.4Confident6 Ų670.1 Ų70.13%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-123132.2-176-65.8164.6000109.9V128 Q130 T165 F167 N168V128-L156 HydrophobicContact CB-CB 4.32Å; V128-L156 PolarHBondContact N-O 3.35Å; V128-L156 PolarHBondContact O-N 2.89Å; V128-L156 VanDerWaalsContact O-N 3.09Å; Q130-L156 HydrophobicContact CG-CD1 4.47Å; L156-T165 HydrophobicContact CD2-CG2 4.44Å; L156-F167 WeakPolarHBondContact CA-O 3.42Å; L156-N168 HydrophobicContact CD2-CB 3.79Å
157V81.2Confident78.8Confident28 Ų2865.7 Ų65.717%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-111.6118168-174.70000107.3F125 F155 I166 F167F125-V157 HydrophobicContact CB-CG1 4.38Å; F125-V157 HydrophobicContact CD1-CG1 4.3Å; F155-V157 HydrophobicContact CD1-CG2 4.47Å; F155-V157 HydrophobicContact CE1-CG2 3.54Å; F155-V157 HydrophobicContact CZ-CG2 3.66Å; V157-I166 PolarHBondContact O-N 3.06Å; V157-F167 HydrophobicContact CB-CB 3.92Å; V157-F167 HydrophobicContact CG2-CB 3.98Å; V157-F167 PolarHBondContact N-O 3.15Å; V157-F167 PolarHBondContact O-N 3.3Å
158R78.5Confident79.1Confident67 Ų6762.3 Ų62.325%0.25333%0.327SS..EExtended strand (participates in β ladder)trans-112.3144.8177.1-66.8-176.5-174.8131.8-0.8110.6F125 Q126 E164 T165F125-R158 WeakPolarHBondContact CA-O 3.46Å; Q126-R158 HydrophobicContact CB-CB 4.34Å; Q126-R158 PolarHBondContact N-O 2.88Å; Q126-R158 PolarHBondContact O-N 3.02Å; R158-E164 CarbonylContact C-O 3.58Å; R158-E164 VanDerWaalsContact CA-O 3.26Å; R158-E164 WeakPolarHBondContact CA-O 3.34Å; R158-T165 HydrophobicContact CG-CG2 3.83Å
159R74.5Confident79.1Confident96 Ų9661.1 Ų61.136%0.36233%0.33SS..EExtended strand (participates in β ladder)trans-73.5141.5166.3-145.1-173.3-80.3161.32.6109.5F125 D161 G163 E164 I166F125-R159 HydrophobicContact CE1-CG 4.43Å; R159-D161 WeakPolarHBondContact CB-OD1 3.49Å; R159-D161 WeakPolarHBondContact CD-OD1 2.81Å; R159-D161 WeakPolarHBondContact CD-OD2 3.35Å; R159-D161 WeakPolarHBondContact CG-OD1 3.36Å; R159-G163 WeakPolarHBondContact O-CA 3.21Å; R159-G163 PolarHBondContact O-N 2.92Å; R159-E164 PolarHBondContact N-O 3.17Å; R159-I166 HydrophobicContact CB-CD1 3.92Å; R159-I166 HydrophobicContact CB-CG1 4.35Å; R159-I166 HydrophobicContact CG-CD1 4.15Å
160L73.4Confident79.1Confident51 Ų5164.7 Ų64.727%0.26735%0.347SS..THydrogen-bonded Turntrans-80.3-34-170.9-167.469.4000114.2K121 I122 E124 Q126K121-L160 HydrophobicContact CD-CD1 4.17Å; K121-L160 HydrophobicContact CD-CD2 4.13Å; K121-L160 HydrophobicContact CG-CD1 3.57Å; K121-L160 HydrophobicContact CG-CD2 3.68Å; K121-L160 HydrophobicContact CG-CG 4.17Å; I122-L160 WeakPolarHBondContact O-CD2 3.12Å; E124-L160 WeakPolarHBondContact O-CB 3.45Å; E124-L160 PolarHBondContact O-N 3.24Å; E124-L160 VanDerWaalsContact O-N 3.15Å; Q126-L160 HydrophobicContact CB-CD1 4.29Å
161D76.3Confident78.9Confident125 Ų12570 Ų7067%0.66836%0.364SS*.THydrogen-bonded Turntrans-70.4-46.4178.359.3-21.3000112.6R159R159-D161 WeakPolarHBondContact CB-OD1 3.49Å; R159-D161 WeakPolarHBondContact CD-OD1 2.81Å; R159-D161 WeakPolarHBondContact CD-OD2 3.35Å; R159-D161 WeakPolarHBondContact CG-OD1 3.36Å
162S78.5Confident78.8Confident67 Ų6770.3 Ų70.347%0.46937%0.37SS..THydrogen-bonded Turntrans-102-16.1-173.669.60000113.7E164S162-E164 PolarHBondContact O-N 3.2Å; S162-E164 WeakPolarHBondContact OG-CB 3.26Å; S162-E164 PolarHBondContact OG-N 2.81Å; S162-E164 VanDerWaalsContact OG-N 3.15Å
163G74.6Confident78.8Confident46 Ų4673.2 Ų73.247%0.47439%0.391SS..  trans67.44.9-169.300000113.8R159 T165R159-G163 WeakPolarHBondContact O-CA 3.21Å; R159-G163 PolarHBondContact O-N 2.92Å; G163-T165 PolarHBondContact O-N 2.98Å
164E80.8Confident78.5Confident110 Ų11075.5 Ų75.551%0.51440%0.403SS..  trans-66.1131.1-178.2-173.4-175.4174.800111.2R158 R159 S162 I166R158-E164 CarbonylContact C-O 3.58Å; R158-E164 VanDerWaalsContact CA-O 3.26Å; R158-E164 WeakPolarHBondContact CA-O 3.34Å; R159-E164 PolarHBondContact N-O 3.17Å; S162-E164 PolarHBondContact O-N 3.2Å; S162-E164 WeakPolarHBondContact OG-CB 3.26Å; S162-E164 PolarHBondContact OG-N 2.81Å; S162-E164 VanDerWaalsContact OG-N 3.15Å; E164-I166 PolarHBondContact O-N 3.29Å
165T79.4Confident78.3Confident71 Ų7179.7 Ų79.744%0.43643%0.43SS..EExtended strand (participates in β ladder)trans-72.7109.8172.353.70000110.6L156 R158 G163L156-T165 HydrophobicContact CD2-CG2 4.44Å; R158-T165 HydrophobicContact CG-CG2 3.83Å; G163-T165 PolarHBondContact O-N 2.98Å
166I79.2Confident78Confident73 Ų7383.1 Ų83.137%0.37445%0.45SS..EExtended strand (participates in β ladder)trans-80.4-40.7176.5-58171.9000109.9F125 V157 R159 E164F125-I166 HydrophobicContact CD1-CD1 3.65Å; F125-I166 HydrophobicContact CE1-CD1 3.38Å; V157-I166 PolarHBondContact O-N 3.06Å; R159-I166 HydrophobicContact CB-CD1 3.92Å; R159-I166 HydrophobicContact CB-CG1 4.35Å; R159-I166 HydrophobicContact CG-CD1 4.15Å; E164-I166 PolarHBondContact O-N 3.29Å
167F82Confident78.1Confident73 Ų7389.2 Ų89.232%0.3248%0.478SS..EExtended strand (participates in β ladder)trans-133.4138.3179.7-173.6-95.6000111F155 L156 V157 A169F155-F167 AromaticContact CD1-CD1 3.54Å; F155-F167 HydrophobicContact CD1-CD1 3.54Å; F155-F167 AromaticContact CD1-CE1 3.57Å; F155-F167 HydrophobicContact CD1-CE1 3.57Å; F155-F167 AromaticContact CE1-CD1 3.61Å; F155-F167 HydrophobicContact CE1-CD1 3.61Å; F155-F167 AromaticContact CE1-CE1 3.88Å; F155-F167 HydrophobicContact CE1-CE1 3.88Å; L156-F167 WeakPolarHBondContact CA-O 3.42Å; V157-F167 HydrophobicContact CB-CB 3.92Å; V157-F167 HydrophobicContact CG2-CB 3.98Å; V157-F167 PolarHBondContact N-O 3.15Å; V157-F167 PolarHBondContact O-N 3.3Å; F167-A169 HydrophobicContact CE1-CB 4.17Å
168N85.1Confident78.1Confident28 Ų2898.1 Ų98.115%0.1552%0.515CS..EExtended strand (participates in β ladder)trans-137.6116.8174.6-177.6-17.7000108.8N154 L156 M170 R171 P172N154-N168 PolarHBondContact OD1-OD1 3.44Å; N154-N168 VanDerWaalsContact OD1-OD1 3.12Å; L156-N168 HydrophobicContact CD2-CB 3.79Å; N168-M170 PolarHBondContact O-N 3.45Å; N168-M170 WeakPolarHBondContact OD1-CB 3.1Å; N168-M170 PolarHBondContact OD1-N 2.85Å; N168-R171 CarbonylContact O-C 3.56Å; N168-R171 PolarHBondContact O-N 3.08Å; N168-R171 VanDerWaalsContact O-O 3.09Å; N168-P172 WeakPolarHBondContact O-CA 3.42Å; N168-P172 VanDerWaalsContact O-N 3.12Å
169A82.8Confident78.3Confident50 Ų50101.3 Ų101.341%0.41354%0.537SS..THydrogen-bonded Turntrans-62.2-30.8-179.900000113F155 F167 R171F155-A169 HydrophobicContact CB-CB 3.96Å; F155-A169 PolarHBondContact O-N 2.81Å; F167-A169 HydrophobicContact CE1-CB 4.17Å; A169-R171 VanDerWaalsContact C-N 3.34Å
170M80.2Confident78.8Confident132 Ų132100.1 Ų100.165%0.6554%0.537SS*.THydrogen-bonded Turntrans-73.9-25174.8-68.7-147.1-65.400113.5N154 N168N154-M170 HydrophobicContact CB-CG 4.47Å; N168-M170 PolarHBondContact O-N 3.45Å; N168-M170 WeakPolarHBondContact OD1-CB 3.1Å; N168-M170 PolarHBondContact OD1-N 2.85Å
171R77.4Confident79.3Confident195 Ų195107.9 Ų107.974%0.73657%0.568SS**SBendtrans-135.474.8177.7-64.6-169.4-171.41162.1109.1N168 A169 S173N168-R171 CarbonylContact O-C 3.56Å; N168-R171 PolarHBondContact O-N 3.08Å; N168-R171 VanDerWaalsContact O-O 3.09Å; A169-R171 VanDerWaalsContact C-N 3.34Å; R171-S173 PolarHBondContact O-N 2.98Å
172P74.8Confident79.9Confident89 Ų89110.6 Ų110.658%0.57857%0.574SS**  trans-66.5102-176.626.2-33.1000109.2N168 L174N168-P172 WeakPolarHBondContact O-CA 3.42Å; N168-P172 VanDerWaalsContact O-N 3.12Å; P172-L174 PolarHBondContact O-N 3.18Å
173S73.5Confident80.3Confident96 Ų96112.4 Ų112.467%0.67158%0.578SS**  trans-86.985168.3-174.10000107.8R171 P175R171-S173 PolarHBondContact O-N 2.98Å; S173-P175 WeakPolarHBondContact O-CD 3.44Å
174L72Confident81Confident128 Ų128114.8 Ų114.867%0.6759%0.593SS**  trans-91.3110.5174-173.770.5000108.6P172 L176P172-L174 PolarHBondContact O-N 3.18Å; L174-L176 PolarHBondContact O-N 3.48Å
175P76.1Confident81.2Confident96 Ų96113.6 Ų113.662%0.62359%0.594SS**  trans-61.6122.9170.225.5-32.2000108.4S173 Q177S173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-Q177 PolarHBondContact O-N 3.02Å
176L78.1Confident81.6Confident119 Ų119120.4 Ų120.462%0.62362%0.617SS**  trans-65.8103.4177-71.6172.2000108.9L174 I180 I183L174-L176 PolarHBondContact O-N 3.48Å; L176-I180 HydrophobicContact CB-CD1 4.36Å; L176-I180 HydrophobicContact CD2-CD1 3.71Å; L176-I180 HydrophobicContact CD2-CG2 4.41Å; L176-I183 HydrophobicContact CD1-CD1 3.88Å; L176-I183 HydrophobicContact CD2-CD1 3.9Å; L176-I183 HydrophobicContact CD2-CG1 4.36Å
177Q81.7Confident81.9Confident133 Ų133122.9 Ų122.962%0.62163%0.63SS**  trans-65.8151.6175.3-64.5-173.7-11.300110.4P175 N179 I180P175-Q177 PolarHBondContact O-N 3.02Å; Q177-N179 PolarHBondContact O-N 2.89Å; Q177-I180 HydrophobicContact CB-CD1 4.39Å; Q177-I180 HydrophobicContact CB-CG1 4.33Å; Q177-I180 PolarHBondContact O-N 2.94Å; Q177-I180 VanDerWaalsContact O-N 3.09Å
178K81.1Confident82.2Confident216 Ų216124.3 Ų124.394%0.93964%0.644SS**THydrogen-bonded Turntrans-57.3-19179.8-64.4-177.3-178.5177.20113.7
179N83.7Confident82.2Confident134 Ų134132.4 Ų132.472%0.71768%0.678SS**THydrogen-bonded Turntrans-90.1-5.9-176.6-60.7-14.2000113.8Q177 K181Q177-N179 PolarHBondContact O-N 2.89Å; N179-K181 PolarHBondContact O-N 3.12Å
180I84.2Confident82.4Confident70 Ų70134 Ų13436%0.35968%0.683SS.*  trans-75.2112.3-179.4-60.9175.2000109.4L176 Q177 I183L176-I180 HydrophobicContact CB-CD1 4.36Å; L176-I180 HydrophobicContact CD2-CD1 3.71Å; L176-I180 HydrophobicContact CD2-CG2 4.41Å; Q177-I180 HydrophobicContact CB-CD1 4.39Å; Q177-I180 HydrophobicContact CB-CG1 4.33Å; Q177-I180 PolarHBondContact O-N 2.94Å; Q177-I180 VanDerWaalsContact O-N 3.09Å; I180-I183 HydrophobicContact CG2-CG1 4.14Å
181K85Confident82.6Confident214 Ų214138.4 Ų138.493%0.9370%0.698SS**  trans-92.6-26.2-178.8-64.7-178.1-1791780114.2N179N179-K181 PolarHBondContact O-N 3.12Å
182K87.4Confident83.2Confident183 Ų183136 Ų13680%0.79669%0.693SS**  trans-133.7131.1-173.8-172.6176.4-179.4179.50109.8
183I87.7Confident83.9Confident104 Ų104137.5 Ų137.553%0.53370%0.695SS.*  trans-119.2118.4173.1-58.2174.6000106.8L176 I180 T185L176-I183 HydrophobicContact CD1-CD1 3.88Å; L176-I183 HydrophobicContact CD2-CD1 3.9Å; L176-I183 HydrophobicContact CD2-CG1 4.36Å; I180-I183 HydrophobicContact CG2-CG1 4.14Å; I183-T185 HydrophobicContact CG2-CG2 3.98Å
184A88.1Confident84.6Confident97 Ų97142.4 Ų142.480%0.80270%0.699SS**  trans-109.3106.4173.200000108.4
185T85.5Confident85.5Confident85 Ų85137.8 Ų137.852%0.52168%0.679SS.*  trans-146.5156-179.5-1790000110.5I183 I187 V188I183-T185 HydrophobicContact CG2-CG2 3.98Å; T185-I187 WeakPolarHBondContact CG2-O 3.06Å; T185-I187 PolarHBondContact OG1-N 3.04Å; T185-I187 PolarHBondContact OG1-O 2.82Å; T185-V188 HydrophobicContact CG2-CG2 3.35Å
186K88Confident86.1Confident213 Ų213137.1 Ų137.193%0.92668%0.675SS**SBendtrans-71.2-34.7175.9-64.7-175.7179.2-179.20112.3
187I86.3Confident86.5Confident125 Ų125138.3 Ų138.364%0.64169%0.687SS**  trans-140.1128.8-174.8-57177.1000108.9T185 K189T185-I187 WeakPolarHBondContact CG2-O 3.06Å; T185-I187 PolarHBondContact OG1-N 3.04Å; T185-I187 PolarHBondContact OG1-O 2.82Å; I187-K189 HydrophobicContact CG2-CG 4.21Å
188V86.6Confident86.7Confident104 Ų104139.2 Ų139.263%0.6370%0.696SS**  trans-111.3118.7170.3-178.80000108.7T185 T190T185-V188 HydrophobicContact CG2-CG2 3.35Å; V188-T190 HydrophobicContact CG1-CG2 4.34Å
189K85.6Confident87.2Confident197 Ų197134.1 Ų134.186%0.85768%0.679SS**  trans-103.1115.1170.7-66.6-176.7-179.8179.90108.7I187I187-K189 HydrophobicContact CG2-CG 4.21Å
190T87.1Confident87.5Confident84 Ų84131.3 Ų131.352%0.51567%0.67SS.*  trans-143.1151.4176.3179.70000110.5V188 K192 I193V188-T190 HydrophobicContact CG1-CG2 4.34Å; T190-K192 PolarHBondContact OG1-N 3.27Å; T190-K192 PolarHBondContact OG1-O 3.47Å; T190-I193 HydrophobicContact CG2-CD1 4.18Å; T190-I193 HydrophobicContact CG2-CG1 3.56Å
191K85.5Confident87.8Confident224 Ų224132.3 Ų132.397%0.97468%0.675SS**SBendtrans-76-28174.2-63.4-176.3179.3-177.90112.4
192K88.7Confident88.1Confident145 Ų145131.9 Ų131.963%0.6367%0.668SS**  trans-151.8138.9-173.3-172.9171.5-176.9171.60110.9T190T190-K192 PolarHBondContact OG1-N 3.27Å; T190-K192 PolarHBondContact OG1-O 3.47Å
193I89.7Confident88.2Confident121 Ų121127.7 Ų127.762%0.62165%0.653SS**  trans-116.3123.8170.9-55173.4000106.6T190 I201T190-I193 HydrophobicContact CG2-CD1 4.18Å; T190-I193 HydrophobicContact CG2-CG1 3.56Å; I193-I201 HydrophobicContact CG2-CD1 3.46Å; I193-I201 VanDerWaalsContact CG2-CD1 3.46Å
194R89.4Confident88.4Confident198 Ų198132.1 Ų132.175%0.74767%0.672SS**  trans-143.3145.1179.366.7177.7179.9-179-1.8110.8
195A90.2Very high88.4Confident31 Ų31131.7 Ų131.726%0.25666%0.659SS.*  trans-77.5162.316300000110.7N199 I201A195-N199 WeakPolarHBondContact CB-O 3.47Å; A195-I201 HydrophobicContact CB-CB 4.07Å
196P88.7Confident88.6Confident83 Ų83136.7 Ų136.754%0.53968%0.676SS.*  trans-54.4158.2162.9-22.932.5000112.2D198 N199P196-D198 PolarHBondContact O-N 2.97Å; P196-N199 HydrophobicContact CB-CB 4.03Å; P196-N199 HydrophobicContact CG-CB 4.11Å; P196-N199 PolarHBondContact O-N 3.28Å
197V85.4Confident88.5Confident143 Ų143133.3 Ų133.387%0.86767%0.668SS**THydrogen-bonded Turntrans-54-30.4-169.8176.50000113.5
198D86.9Confident88.6Confident152 Ų152131.4 Ų131.481%0.81366%0.659SS**THydrogen-bonded Turntrans-117.816.7-177.8-57-57.2000114P196P196-D198 PolarHBondContact O-N 2.97Å
199N90.6Very high88.6Confident110 Ų110131.5 Ų131.559%0.58866%0.664SS**  trans-118.5147.7-176.6-77.3-29.3000112.2A195 P196A195-N199 WeakPolarHBondContact CB-O 3.47Å; P196-N199 HydrophobicContact CB-CB 4.03Å; P196-N199 HydrophobicContact CG-CB 4.11Å; P196-N199 PolarHBondContact O-N 3.28Å
200S90.6Very high88.6Confident74 Ų74127 Ų12752%0.51765%0.645SS.*  trans-82.7135.2173.665.40000111
201I91.6Very high88.4Confident91 Ų91133.8 Ų133.847%0.46766%0.661SS.*  trans-77.5131.9163.4-169.7163.1000109.3I193 A195 L203I193-I201 HydrophobicContact CG2-CD1 3.46Å; I193-I201 VanDerWaalsContact CG2-CD1 3.46Å; A195-I201 HydrophobicContact CB-CB 4.07Å; I201-L203 HydrophobicContact CD1-CD2 4.31Å; I201-L203 HydrophobicContact CG1-CD2 4.27Å; I201-L203 HydrophobicContact CG1-CG 4.37Å
202R90.9Very high88.3Confident206 Ų206124.8 Ų124.878%0.77763%0.632SS**  trans-118.3128.7174-62.5-176.7-174.5-179.90.2108.2
203L89.7Confident87.9Confident94 Ų94125.4 Ų125.449%0.49264%0.642SS.*  trans-121.3114.7177.4-60.4174.3000106.8I201 L208 F210I201-L203 HydrophobicContact CD1-CD2 4.31Å; I201-L203 HydrophobicContact CG1-CD2 4.27Å; I201-L203 HydrophobicContact CG1-CG 4.37Å; L203-L208 HydrophobicContact CB-CD2 4.42Å; L203-L208 HydrophobicContact CD1-CD2 4.29Å; L203-F210 HydrophobicContact CD1-CE1 4.44Å; L203-F210 HydrophobicContact CD1-CZ 3.76Å
204E90.3Very high87.5Confident198 Ų198129.3 Ų129.393%0.92566%0.657SS**  trans-115.3109175.5-175.2172.1-165.100107.1
205V88.9Confident87.1Confident87 Ų87122.5 Ų122.553%0.52765%0.649SS.*  trans-148140.5-171.7-1710000107.9L208V205-L208 HydrophobicContact CB-CB 4.27Å; V205-L208 HydrophobicContact CG2-CD1 4.27Å
206E88.7Confident86.7Confident190 Ų190124.5 Ų124.589%0.88866%0.658SS**SBendtrans-64.5-47.4174.9-65.3176177.600111.8
207N86.7Confident86.4Confident143 Ų143124.8 Ų124.877%0.76567%0.668SS**SBendtrans-128.795.6179.2-69.8-57.6000110.5
208L87.8Confident86.4Confident84 Ų84123.1 Ų123.144%0.4465%0.649SS.*  trans-93.7121.1177.2-173.759.9000110.7L203 V205 F210L203-L208 HydrophobicContact CB-CD2 4.42Å; L203-L208 HydrophobicContact CD1-CD2 4.29Å; V205-L208 HydrophobicContact CB-CB 4.27Å; V205-L208 HydrophobicContact CG2-CD1 4.27Å; L208-F210 HydrophobicContact CD1-CE1 4.25Å; L208-F210 HydrophobicContact CD1-CE2 3.99Å; L208-F210 HydrophobicContact CD1-CZ 3.77Å; L208-F210 HydrophobicContact CD2-CE2 3.49Å; L208-F210 VanDerWaalsContact CD2-CE2 3.49Å; L208-F210 HydrophobicContact CD2-CZ 3.74Å; L208-F210 HydrophobicContact CG-CD2 4.24Å; L208-F210 HydrophobicContact CG-CE2 3.61Å; L208-F210 HydrophobicContact CG-CZ 3.9Å
209S87.4Confident86.3Confident107 Ų107127.3 Ų127.375%0.74865%0.653SS**  trans-128.8137.8170.969.40000110.5
210F85.7Confident86Confident101 Ų101125.5 Ų125.544%0.44365%0.649SS.*  trans-117.9121.9173.2-63.1-78.1000109L203 L208 F218L203-F210 HydrophobicContact CD1-CE1 4.44Å; L203-F210 HydrophobicContact CD1-CZ 3.76Å; L208-F210 HydrophobicContact CD1-CE1 4.25Å; L208-F210 HydrophobicContact CD1-CE2 3.99Å; L208-F210 HydrophobicContact CD1-CZ 3.77Å; L208-F210 HydrophobicContact CD2-CE2 3.49Å; L208-F210 VanDerWaalsContact CD2-CE2 3.49Å; L208-F210 HydrophobicContact CD2-CZ 3.74Å; L208-F210 HydrophobicContact CG-CD2 4.24Å; L208-F210 HydrophobicContact CG-CE2 3.61Å; L208-F210 HydrophobicContact CG-CZ 3.9Å; F210-F218 HydrophobicContact CB-CE1 4.49Å; F210-F218 HydrophobicContact CB-CE2 4.44Å; F210-F218 HydrophobicContact CB-CZ 3.61Å; F210-F218 AromaticContact CD1-CE1 3.98Å; F210-F218 HydrophobicContact CD1-CE1 3.98Å; F210-F218 AromaticContact CD1-CZ 3.92Å; F210-F218 HydrophobicContact CD1-CZ 3.92Å; F210-F218 AromaticContact CD2-CE1 3.88Å; F210-F218 HydrophobicContact CD2-CE1 3.88Å; F210-F218 AromaticContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CE1-CE1 4.07Å; F210-F218 HydrophobicContact CE1-CZ 4.45Å; F210-F218 AromaticContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CZ 4.18Å; F210-F218 AromaticContact CG-CE1 3.88Å; F210-F218 HydrophobicContact CG-CE1 3.88Å; F210-F218 AromaticContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CG-CZ 3.46Å; F210-F218 VanDerWaalsContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CZ-CE1 4.04Å
211R83.7Confident85.7Confident228 Ų228134.4 Ų134.486%0.8667%0.671SS**  trans-132.3132179.5-173.6177.3177.3176.20.1109.5
212G81.7Confident85.3Confident34 Ų34134 Ų13435%0.35168%0.682SS.*  trans-133.7138174.300000109.5E214G212-E214 VanDerWaalsContact C-N 3.32Å
213N80.3Confident84.9Confident159 Ų159130.1 Ų130.185%0.8567%0.671SS**THydrogen-bonded Turntrans-72.7-28.1179.5-69.52.4000112
214E82.5Confident84.7Confident202 Ų202134.1 Ų134.194%0.94469%0.685SS**THydrogen-bonded Turntrans-113.222.7179.7-64.3173.7-174.800111.5G212G212-E214 VanDerWaalsContact C-N 3.32Å
215G79.7Confident84.4Confident55 Ų55128.6 Ų128.657%0.56766%0.661SS**  trans93.1168.9-17300000113.8
216T82.5Confident84.3Confident73 Ų73132.3 Ų132.345%0.44868%0.678SS.*  trans-126.6122.9178.147.80000108.6
217A83.7Confident84Confident90 Ų90125.5 Ų125.574%0.74465%0.654SS**  trans-104.5113179.200000110.1
218F84.8Confident83.8Confident107 Ų107123.3 Ų123.347%0.46966%0.656SS.*  trans-99.5117.4171.7-62.7-87.5000109.1F210F210-F218 HydrophobicContact CB-CE1 4.49Å; F210-F218 HydrophobicContact CB-CE2 4.44Å; F210-F218 HydrophobicContact CB-CZ 3.61Å; F210-F218 AromaticContact CD1-CE1 3.98Å; F210-F218 HydrophobicContact CD1-CE1 3.98Å; F210-F218 AromaticContact CD1-CZ 3.92Å; F210-F218 HydrophobicContact CD1-CZ 3.92Å; F210-F218 AromaticContact CD2-CE1 3.88Å; F210-F218 HydrophobicContact CD2-CE1 3.88Å; F210-F218 AromaticContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CD2-CZ 3.62Å; F210-F218 HydrophobicContact CE1-CE1 4.07Å; F210-F218 HydrophobicContact CE1-CZ 4.45Å; F210-F218 AromaticContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CE1 3.95Å; F210-F218 HydrophobicContact CE2-CZ 4.18Å; F210-F218 AromaticContact CG-CE1 3.88Å; F210-F218 HydrophobicContact CG-CE1 3.88Å; F210-F218 AromaticContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CG-CZ 3.46Å; F210-F218 VanDerWaalsContact CG-CZ 3.46Å; F210-F218 HydrophobicContact CZ-CE1 4.04Å
219R85.4Confident83.5Confident240 Ų240128.2 Ų128.291%0.90668%0.676SS**  trans-121117.5176.3-66.4-174.1-177.8175.41.4109.2
220S83.9Confident83.2Confident72 Ų72129.4 Ų129.450%0.50367%0.673SS.*  trans-153.4154.6176.168.60000109.9A222S220-A222 VanDerWaalsContact C-N 3.31Å; S220-A222 PolarHBondContact OG-O 3.25Å
221R84Confident82.9Confident261 Ų261128.9 Ų128.999%0.98567%0.674SS**SBendtrans-64.7-38.3171.2178.8178.5175.5172.20.1111.5
222A83Confident82.8Confident84 Ų84121 Ų12169%0.69465%0.654SS**  trans-143127.8176.900000109S220S220-A222 VanDerWaalsContact C-N 3.31Å; S220-A222 PolarHBondContact OG-O 3.25Å
223F83.6Confident82.8Confident123 Ų123124 Ų12454%0.53966%0.661SS.*  trans-112.4112.5177.8-175.6-117.3000108.8L225F223-L225 HydrophobicContact CD1-CD1 4.3Å; F223-L225 HydrophobicContact CD1-CG 4.1Å; F223-L225 HydrophobicContact CE1-CD1 3.27Å; F223-L225 HydrophobicContact CE1-CD2 3.98Å; F223-L225 HydrophobicContact CE1-CG 3.37Å; F223-L225 HydrophobicContact CE2-CD2 3.91Å; F223-L225 HydrophobicContact CE2-CG 4.18Å; F223-L225 HydrophobicContact CZ-CD1 3.49Å; F223-L225 VanDerWaalsContact CZ-CD1 3.49Å; F223-L225 HydrophobicContact CZ-CD2 3.44Å; F223-L225 VanDerWaalsContact CZ-CD2 3.44Å; F223-L225 HydrophobicContact CZ-CG 3.42Å; F223-L225 VanDerWaalsContact CZ-CG 3.42Å
224K84.2Confident82.7Confident179 Ų179125 Ų12578%0.77866%0.658SS**  trans-114.7122.9177.654.4176.3-178.2176.20109.1
225L84.5Confident82.5Confident81 Ų81118.7 Ų118.742%0.42463%0.634SS.*  trans-115.4130.6173.5-69.7-179.7000108.7F223 I231F223-L225 HydrophobicContact CD1-CD1 4.3Å; F223-L225 HydrophobicContact CD1-CG 4.1Å; F223-L225 HydrophobicContact CE1-CD1 3.27Å; F223-L225 HydrophobicContact CE1-CD2 3.98Å; F223-L225 HydrophobicContact CE1-CG 3.37Å; F223-L225 HydrophobicContact CE2-CD2 3.91Å; F223-L225 HydrophobicContact CE2-CG 4.18Å; F223-L225 HydrophobicContact CZ-CD1 3.49Å; F223-L225 VanDerWaalsContact CZ-CD1 3.49Å; F223-L225 HydrophobicContact CZ-CD2 3.44Å; F223-L225 VanDerWaalsContact CZ-CD2 3.44Å; F223-L225 HydrophobicContact CZ-CG 3.42Å; F223-L225 VanDerWaalsContact CZ-CG 3.42Å; L225-I231 HydrophobicContact CB-CD1 3.83Å; L225-I231 HydrophobicContact CD1-CG2 4.01Å
226N85.6Confident82.3Confident165 Ų165118.8 Ų118.888%0.88264%0.635SS**  trans-128128.4171-169.46.6000107.4
227A83.5Confident81.9Confident47 Ų47121.3 Ų121.339%0.38866%0.663SS.*  trans-138.5139.817700000108.7H229 I231A227-H229 VanDerWaalsContact C-N 3.35Å; A227-H229 PolarHBondContact O-N 3.49Å; A227-I231 HydrophobicContact CB-CD1 4.34Å; A227-I231 HydrophobicContact CB-CG1 3.61Å
228A82.4Confident81.4Confident97 Ų97123.1 Ų123.180%0.80267%0.67SS**SBendtrans-67.3-35.2-178.600000112.9
229H82Confident80.7Confident188 Ų188119.7 Ų119.787%0.8767%0.665SS**SBendtrans-118.3-49.3-171.1-61.7-60.2000114A227A227-H229 VanDerWaalsContact C-N 3.35Å; A227-H229 PolarHBondContact O-N 3.49Å
230L79.5Confident80.1Confident132 Ų132112 Ų11269%0.69165%0.652SS**  trans-155.6137.2-173-178.663.6000112.1
231I80.9Confident79.5Confident89 Ų89112.5 Ų112.546%0.45665%0.649SS.*  trans-110.1110.8162-58.5174.3000106.8L225 A227L225-I231 HydrophobicContact CB-CD1 3.83Å; L225-I231 HydrophobicContact CD1-CG2 4.01Å; A227-I231 HydrophobicContact CB-CD1 4.34Å; A227-I231 HydrophobicContact CB-CG1 3.61Å
232S81.5Confident78.9Confident64 Ų64107.1 Ų107.145%0.44864%0.64SS.*  trans-113.9114.8-179171.30000110.3K234S232-K234 WeakPolarHBondContact OG-CE 3.48Å
233L80.8Confident78.4Confident95 Ų95109.4 Ų109.450%0.49763%0.634SS.*  trans-100.6114.5170.6-57.8177000107.9L241 F243L233-L241 HydrophobicContact CB-CD1 3.99Å; L233-L241 HydrophobicContact CB-CD2 4.48Å; L233-F243 HydrophobicContact CD1-CE1 3.84Å; L233-F243 HydrophobicContact CD1-CZ 3.52Å
234K78.6Confident77.6Confident181 Ų181109.3 Ų109.379%0.78765%0.649SS**  trans-120.9138.1-178.7-72.3179.1178.2-1790109.9S232S232-K234 WeakPolarHBondContact OG-CE 3.48Å
235T78.2Confident76.9Confident70 Ų70103.1 Ų103.143%0.42963%0.632SS.*  trans-112.3161.7168.555.70000110.4G239 L241T235-G239 VanDerWaalsContact CB-O 3.26Å; T235-G239 WeakPolarHBondContact CB-O 3.23Å; T235-G239 PolarHBondContact OG1-O 3.15Å; T235-L241 HydrophobicContact CG2-CD1 4.01Å; T235-L241 HydrophobicContact CG2-CD2 3.64Å; T235-L241 HydrophobicContact CG2-CG 3.39Å
236G74.8Confident76.2Confident57 Ų57105.8 Ų105.859%0.58865%0.653SS**  trans-69.8177.3166.500000111.6S238 G239G236-S238 PolarHBondContact O-N 3.4Å; G236-G239 PolarHBondContact O-N 3.07Å
237A74.9Confident75.6Confident125 Ų125105.4 Ų105.4100%1.03365%0.651SS**THydrogen-bonded Turntrans-54.7-29.9-176.400000114.7
238S73.5Confident74.5Confident128 Ų128105.3 Ų105.390%0.89566%0.655SS**THydrogen-bonded Turntrans-113.71117757.20000113.8G236G236-S238 PolarHBondContact O-N 3.4Å
239G70.5Confident73.7Confident36 Ų36106.1 Ų106.137%0.37164%0.644SS.*  trans-86.7136.8-176.500000112.3T235 G236T235-G239 VanDerWaalsContact CB-O 3.26Å; T235-G239 WeakPolarHBondContact CB-O 3.23Å; T235-G239 PolarHBondContact OG1-O 3.15Å; G236-G239 PolarHBondContact O-N 3.07Å
240A71.3Confident72.8Confident77 Ų77104.8 Ų104.864%0.63664%0.642SS**  trans-102.8139.2175.500000111.7
241L73.1Confident72Confident84 Ų84103.5 Ų103.544%0.4464%0.636SS.*  trans-98.9103.6166.9-68.6164.9000108.6L233 T235 F243L233-L241 HydrophobicContact CB-CD1 3.99Å; L233-L241 HydrophobicContact CB-CD2 4.48Å; T235-L241 HydrophobicContact CG2-CD1 4.01Å; T235-L241 HydrophobicContact CG2-CD2 3.64Å; T235-L241 HydrophobicContact CG2-CG 3.39Å; L241-F243 HydrophobicContact CB-CD2 4.49Å; L241-F243 HydrophobicContact CB-CE2 3.79Å; L241-F243 HydrophobicContact CB-CZ 4.22Å
242N70.8Confident71.1Confident147 Ų147105.1 Ų105.179%0.78666%0.655SS**  trans-99.1103.8177.2-67.9-16.6000109.6
243F71.6Confident69.9Low132 Ų132109.9 Ų109.958%0.57966%0.663SS**  trans-88.6106168.4-57.2-82000108.4L233 L241 M249L233-F243 HydrophobicContact CD1-CE1 3.84Å; L233-F243 HydrophobicContact CD1-CZ 3.52Å; L241-F243 HydrophobicContact CB-CD2 4.49Å; L241-F243 HydrophobicContact CB-CE2 3.79Å; L241-F243 HydrophobicContact CB-CZ 4.22Å; F243-M249 HydrophobicContact CB-SD 4.44Å
244S67.1Low68.8Low121 Ų121108.6 Ų108.685%0.84667%0.666SS**  trans-111.7116.1174.5-174.90000108.9
245A70Confident67.8Low50 Ų50106.5 Ų106.541%0.41366%0.662SS.*  trans-126.1124.1174.300000107.9N247 G248A245-N247 PolarHBondContact O-N 3.35Å; A245-N247 VanDerWaalsContact O-N 3.15Å; A245-G248 VanDerWaalsContact CB-O 3.31Å; A245-G248 WeakPolarHBondContact CB-O 3.31Å; A245-G248 PolarHBondContact O-N 3.3Å
246P70.3Confident66.8Low136 Ų136108.3 Ų108.388%0.88367%0.669SS**THydrogen-bonded Turntrans-55.9-33.5-177.5-25.732.7000113.5
247N72.6Confident66.1Low157 Ų157108.4 Ų108.484%0.8466%0.656SS**THydrogen-bonded Turntrans-102.219-176.9-61-17.5000112.8A245A245-N247 PolarHBondContact O-N 3.35Å; A245-N247 VanDerWaalsContact O-N 3.15Å
248G60.9Low65.2Low46 Ų46108.8 Ų108.847%0.47465%0.648SS.*  trans78.5171.1-175.300000113.9A245A245-G248 VanDerWaalsContact CB-O 3.31Å; A245-G248 WeakPolarHBondContact CB-O 3.31Å; A245-G248 PolarHBondContact O-N 3.3Å
249M64Low64.5Low113 Ų113108 Ų10856%0.55763%0.633SS**PPolyproline II helixtrans-103117.4178.4-170.9178.269.200109F243 L283F243-M249 HydrophobicContact CB-SD 4.44Å; M249-L283 HydrophobicContact CE-CD1 3.73Å
250L63.5Low63.9Low160 Ų160109.9 Ų109.984%0.83864%0.64SS**PPolyproline II helixtrans-103.2124.7-179.5-66.5163.1000109.3
251L62.7Low63.2Low105 Ų105114.6 Ų114.655%0.5565%0.654SS.*PPolyproline II helixtrans-98.5116.1171.8-125.457.4000107.9R253 L257L251-R253 PolarHBondContact O-N 3.21Å; L251-L257 HydrophobicContact CD2-CD1 3.25Å; L251-L257 HydrophobicContact CD2-CD2 3.73Å; L251-L257 HydrophobicContact CD2-CG 4Å; L251-L257 HydrophobicContact CG-CD1 4.01Å
252S62.1Low62.5Low124 Ų124113.1 Ų113.187%0.86765%0.651SS**SBendtrans-61.1-31.1-170.7-43.70000113.4
253R57Low61.6Low164 Ų164111.6 Ų111.662%0.61965%0.649SS**  trans-149.3111.8179.6-87.2-175.2-93.8-167.5-5.9109.7L251 I255 D256L251-R253 PolarHBondContact O-N 3.21Å; R253-I255 HydrophobicContact CB-CG2 4.26Å; R253-I255 PolarHBondContact O-N 3.35Å; R253-D256 HydrophobicContact CB-CB 4.33Å; R253-D256 VanDerWaalsContact CB-OD2 3.23Å; R253-D256 WeakPolarHBondContact CB-OD2 3.33Å; R253-D256 WeakPolarHBondContact CD-OD2 3.31Å; R253-D256 IonicContact CZ-OD2 3.98Å; R253-D256 IonicContact NE-OD2 3.4Å; R253-D256 PolarHBondContact NE-OD2 3.25Å; R253-D256 PolarHBondContact O-N 3.21Å
254A58.1Low60.8Low67 Ų67109.1 Ų109.155%0.55465%0.648SS**G310 helixtrans-62.9-27.3174.200000112.3D256 L257 L259A254-D256 PolarHBondContact O-N 2.65Å; A254-L257 WeakPolarHBondContact O-CB 3.45Å; A254-L257 WeakPolarHBondContact O-CD1 3.43Å; A254-L257 PolarHBondContact O-N 3.16Å; A254-L259 VanDerWaalsContact O-CD1 3.31Å; A254-L259 WeakPolarHBondContact O-CD1 3.33Å
255I56.1Low60.1Low137 Ų137107.6 Ų107.670%0.70363%0.63SS**G310 helixtrans-69.5-20.8-178.2-154.5154.4000113.7R253 L257R253-I255 HydrophobicContact CB-CG2 4.26Å; R253-I255 PolarHBondContact O-N 3.35Å; I255-L257 VanDerWaalsContact C-N 3.27Å
256D57.1Low59.4Low109 Ų109114.9 Ų114.958%0.58365%0.652SS**G310 helixtrans-83.9-7.7178-62-20.1000111.7R253 A254R253-D256 HydrophobicContact CB-CB 4.33Å; R253-D256 VanDerWaalsContact CB-OD2 3.23Å; R253-D256 WeakPolarHBondContact CB-OD2 3.33Å; R253-D256 WeakPolarHBondContact CD-OD2 3.31Å; R253-D256 IonicContact CZ-OD2 3.98Å; R253-D256 IonicContact NE-OD2 3.4Å; R253-D256 PolarHBondContact NE-OD2 3.25Å; R253-D256 PolarHBondContact O-N 3.21Å; A254-D256 PolarHBondContact O-N 2.65Å
257L61.7Low58.6Low59 Ų59112.3 Ų112.331%0.30964%0.642SS.*SBendtrans-73.8144166.8-75.881.2000107.1L251 A254 I255 L259L251-L257 HydrophobicContact CD2-CD1 3.25Å; L251-L257 HydrophobicContact CD2-CD2 3.73Å; L251-L257 HydrophobicContact CD2-CG 4Å; L251-L257 HydrophobicContact CG-CD1 4.01Å; A254-L257 WeakPolarHBondContact O-CB 3.45Å; A254-L257 WeakPolarHBondContact O-CD1 3.43Å; A254-L257 PolarHBondContact O-N 3.16Å; I255-L257 VanDerWaalsContact C-N 3.27Å; L257-L259 HydrophobicContact CB-CG 4.33Å; L257-L259 PolarHBondContact O-N 2.88Å
258P55.4Low58.1Low133 Ų133108.3 Ų108.386%0.86462%0.621SS**  trans-65.280.3168.128.9-33.7000108.4
259L58.4Low58.2Low112 Ų112110.6 Ų110.659%0.58663%0.626SS**  trans-75.8126.8170.6-67170.3000105.7A254 L257 L261A254-L259 VanDerWaalsContact O-CD1 3.31Å; A254-L259 WeakPolarHBondContact O-CD1 3.33Å; L257-L259 HydrophobicContact CB-CG 4.33Å; L257-L259 PolarHBondContact O-N 2.88Å; L259-L261 PolarHBondContact O-N 2.97Å
260S57.4Low58.3Low75 Ų75113 Ų11352%0.52464%0.64SS.*  trans-54130.2169.8-178.90000108.9S262S260-S262 PolarHBondContact O-N 3.04Å; S260-S262 PolarHBondContact OG-N 3.39Å
261L58.2Low58.6Low176 Ų176106.4 Ų106.492%0.92161%0.61SS**SBendtrans-59.6-12.3174-78.3147.7000112.7L259 P263L259-L261 PolarHBondContact O-N 2.97Å; L261-P263 VanDerWaalsContact C-CD 3.43Å; L261-P263 WeakPolarHBondContact O-CD 3.3Å
262S56.9Low59.1Low53 Ų53107.5 Ų107.537%0.37162%0.616SS.*  trans-99.185.2178.2-55.10000110.2S260 S264S260-S262 PolarHBondContact O-N 3.04Å; S260-S262 PolarHBondContact OG-N 3.39Å; S262-S264 PolarHBondContact O-N 2.79Å
263P53.4Low59.6Low114 Ų114106.5 Ų106.574%0.7459%0.593SS**  trans-60.4-24.6167.126.3-33.6000111L261 L265L261-P263 VanDerWaalsContact C-CD 3.43Å; L261-P263 WeakPolarHBondContact O-CD 3.3Å; P263-L265 WeakPolarHBondContact O-CD1 3.26Å; P263-L265 PolarHBondContact O-N 3.43Å
264S54.6Low60.5Low81 Ų81103.4 Ų103.457%0.56659%0.588SS**SBendtrans-74.4107.617227.40000110.4S262 K266S262-S264 PolarHBondContact O-N 2.79Å; S264-K266 PolarHBondContact O-N 3.26Å
265L52.2Low61.5Low88 Ų88100.4 Ų100.446%0.46156%0.563SS.*THydrogen-bonded Turntrans-42.813.5174.6-86.664.3000118.5P263P263-L265 WeakPolarHBondContact O-CD1 3.26Å; P263-L265 PolarHBondContact O-N 3.43Å
266K55.2Low62.5Low203 Ų20398 Ų9888%0.88356%0.559SS**THydrogen-bonded Turntrans-107-6.4-164.2-82.4-168176-1760118S264S264-K266 PolarHBondContact O-N 3.26Å
267A53.7Low63.5Low82 Ų8293 Ų9368%0.67853%0.532SS*.SBendtrans-131.7-17.4-166.400000119
268D61.1Low64.2Low73 Ų7396.4 Ų96.439%0.3956%0.561SS.*  trans-119.298.2-177.5-1621.8000113.1L270 G271D268-L270 VanDerWaalsContact C-N 3.27Å; D268-L270 WeakPolarHBondContact OD1-CA 2.93Å; D268-L270 VanDerWaalsContact OD1-CB 3.3Å; D268-L270 WeakPolarHBondContact OD1-CB 3.23Å; D268-L270 PolarHBondContact OD1-N 2.9Å; D268-G271 VanDerWaalsContact CG-N 3.33Å; D268-G271 PolarHBondContact OD1-N 2.04Å; D268-G271 VanDerWaalsContact OD1-N 3.13Å; D268-G271 PolarHBondContact OD2-N 2.97Å
269V64.4Low65Low95 Ų9594.7 Ų94.758%0.57655%0.552SS**SBendtrans-76.4-19.1172.2-171.90000111
270L66.1Low65.7Low164 Ų16492.7 Ų92.786%0.85954%0.544SS*.SBendtrans-87.6-20-179.4-57.1174.5000112.4D268D268-L270 VanDerWaalsContact C-N 3.27Å; D268-L270 WeakPolarHBondContact OD1-CA 2.93Å; D268-L270 VanDerWaalsContact OD1-CB 3.3Å; D268-L270 WeakPolarHBondContact OD1-CB 3.23Å; D268-L270 PolarHBondContact OD1-N 2.9Å
271G69.7Low66.3Low20 Ų2091.7 Ų91.721%0.20655%0.546CS..  trans-68.9151.8175.400000113.3D268 G288D268-G271 VanDerWaalsContact CG-N 3.33Å; D268-G271 PolarHBondContact OD1-N 2.04Å; D268-G271 VanDerWaalsContact OD1-N 3.13Å; D268-G271 PolarHBondContact OD2-N 2.97Å; G271-G288 WeakPolarHBondContact O-CA 3.48Å; G271-G288 PolarHBondContact O-N 3.07Å
272L72Confident66.7Low128 Ų12889.8 Ų89.867%0.6753%0.527SS*.EExtended strand (participates in β ladder)trans-111.2135.5170.3-70.8165.8000109.6V286L272-V286 CarbonylContact C-O 3.55Å; L272-V286 WeakPolarHBondContact CA-O 3.39Å
273R73.4Confident67.6Low104 Ų10491.1 Ų91.139%0.39253%0.529SS..EExtended strand (participates in β ladder)trans-101.1122.8175178179.3-173.3155.66.1109.4T285 V286R273-T285 CarbonylContact O-C 3.55Å; R273-T285 VanDerWaalsContact O-CA 3.27Å; R273-T285 WeakPolarHBondContact O-CA 3.3Å; R273-V286 HydrophobicContact CB-CG2 3.75Å; R273-V286 HydrophobicContact CG-CG2 4.18Å; R273-V286 PolarHBondContact N-O 2.88Å; R273-V286 PolarHBondContact O-N 3.13Å
274L75.9Confident68.7Low99 Ų9986.9 Ų86.952%0.51850%0.499SS..EExtended strand (participates in β ladder)trans-78.2123171.3-170.466.2000109.7L283 T285L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD2 4.49Å; L274-L283 HydrophobicContact CD2-CD2 4.46Å; L274-L283 HydrophobicContact CG-CD2 4.31Å; L274-T285 HydrophobicContact CD1-CG2 4.15Å
275C78.5Confident69.7Low4 Ų486.9 Ų86.93%0.02750%0.496CS..EExtended strand (participates in β ladder)trans-114.3147.1177.7-63.10000109.5L283 F284 C292C275-L283 VanDerWaalsContact O-CA 3.3Å; C275-L283 WeakPolarHBondContact O-CA 3.42Å; C275-F284 HydrophobicContact CB-CD1 3.94Å; C275-F284 HydrophobicContact CB-CD2 3.91Å; C275-F284 HydrophobicContact CB-CE1 3.52Å; C275-F284 HydrophobicContact CB-CE2 3.5Å; C275-F284 VanDerWaalsContact CB-CE2 3.5Å; C275-F284 HydrophobicContact CB-CG 4.13Å; C275-F284 HydrophobicContact CB-CZ 3.29Å; C275-F284 PolarHBondContact N-O 3.41Å; C275-F284 PolarHBondContact O-N 2.97Å; C275-C292 HydrophobicContact CB-CB 3.7Å; C275-C292 WeakPolarHBondContact CB-SG 3.39Å; C275-C292 WeakPolarHBondContact SG-CA 3.01Å; C275-C292 WeakPolarHBondContact SG-CB 3.26Å; C275-C292 CovalentContact SG-SG 2.03Å; C275-C292 PolarHBondContact SG-SG 2.98Å
276S77.8Confident70.9Confident87 Ų8782.8 Ų82.861%0.60847%0.474SS*.EExtended strand (participates in β ladder)trans-119.9137173.367.20000110.4R282S276-R282 WeakPolarHBondContact CA-O 3.43Å
277C76.6Confident71.9Confident3 Ų377.3 Ų77.32%0.0245%0.452CS..  trans-79122173.1-62.90000109.4S279 T280 G281 R282 F284 C299C277-S279 PolarHBondContact O-N 2.03Å; C277-T280 VanDerWaalsContact CB-OG1 3.23Å; C277-T280 WeakPolarHBondContact CB-OG1 3.44Å; C277-G281 WeakPolarHBondContact O-CA 3.27Å; C277-G281 PolarHBondContact O-N 2.78Å; C277-R282 HydrophobicContact CB-CB 4.41Å; C277-R282 PolarHBondContact N-O 3.22Å; C277-F284 VanDerWaalsContact SG-CE1 3.59Å; C277-C299 VanDerWaalsContact CA-SG 3.59Å; C277-C299 HydrophobicContact CB-CB 3.71Å; C277-C299 WeakPolarHBondContact CB-SG 3.04Å; C277-C299 WeakPolarHBondContact SG-CA 3.06Å; C277-C299 WeakPolarHBondContact SG-CB 2.99Å; C277-C299 CovalentContact SG-SG 2.04Å; C277-C299 PolarHBondContact SG-SG 2.78Å
278S76.4Confident72.9Confident131 Ų13174.6 Ų74.692%0.91643%0.432SS*.THydrogen-bonded Turntrans-61.2-31.4-178.455.90000113.3
279S72.5Confident73.5Confident97 Ų9774.8 Ų74.868%0.67843%0.433SS*.THydrogen-bonded Turntrans-85.3-39.4-177.253.50000114.1C277C277-S279 PolarHBondContact O-N 2.03Å
280T72.7Confident74.1Confident69 Ų6973.7 Ų73.742%0.42342%0.421SS..THydrogen-bonded Turntrans-108.6-13.9-172.658.80000114C277 R282C277-T280 VanDerWaalsContact CB-OG1 3.23Å; C277-T280 WeakPolarHBondContact CB-OG1 3.44Å; T280-R282 PolarHBondContact O-N 2.78Å; T280-R282 VanDerWaalsContact O-N 3.16Å; T280-R282 WeakPolarHBondContact OG1-CG 3.45Å; T280-R282 PolarHBondContact OG1-N 2.89Å
281G70.2Confident74.6Confident55 Ų5573.9 Ų73.957%0.56741%0.41SS*.  trans67.63.7-171.600000114.3C277C277-G281 WeakPolarHBondContact O-CA 3.27Å; C277-G281 PolarHBondContact O-N 2.78Å
282R68.1Low74.9Confident135 Ų13574.7 Ų74.751%0.50941%0.412SS..  trans-60.6137.5176.2-74.1-178-179.2164.54.2110.2S276 C277 T280 Y300S276-R282 WeakPolarHBondContact CA-O 3.43Å; C277-R282 HydrophobicContact CB-CB 4.41Å; C277-R282 PolarHBondContact N-O 3.22Å; T280-R282 PolarHBondContact O-N 2.78Å; T280-R282 VanDerWaalsContact O-N 3.16Å; T280-R282 WeakPolarHBondContact OG1-CG 3.45Å; T280-R282 PolarHBondContact OG1-N 2.89Å; R282-Y300 PolarHBondContact NH1-O 3.33Å
283L75.6Confident75.1Confident82 Ų8272.2 Ų72.243%0.42941%0.41SS..EExtended strand (participates in β ladder)trans-101.6135.2174.8-65.5174.3000109.9M249 L274 C275M249-L283 HydrophobicContact CE-CD1 3.73Å; L274-L283 HydrophobicContact CD1-CB 4.08Å; L274-L283 HydrophobicContact CD1-CD2 4.49Å; L274-L283 HydrophobicContact CD2-CD2 4.46Å; L274-L283 HydrophobicContact CG-CD2 4.31Å; C275-L283 VanDerWaalsContact O-CA 3.3Å; C275-L283 WeakPolarHBondContact O-CA 3.42Å
284F76.1Confident75Confident25 Ų2572 Ų7211%0.1142%0.417CS..EExtended strand (participates in β ladder)trans-140.6159.1174.964.3-82.4000110.2C275 C277 V286 C292 E295 N298C275-F284 HydrophobicContact CB-CD1 3.94Å; C275-F284 HydrophobicContact CB-CD2 3.91Å; C275-F284 HydrophobicContact CB-CE1 3.52Å; C275-F284 HydrophobicContact CB-CE2 3.5Å; C275-F284 VanDerWaalsContact CB-CE2 3.5Å; C275-F284 HydrophobicContact CB-CG 4.13Å; C275-F284 HydrophobicContact CB-CZ 3.29Å; C275-F284 PolarHBondContact N-O 3.41Å; C275-F284 PolarHBondContact O-N 2.97Å; C277-F284 VanDerWaalsContact SG-CE1 3.59Å; F284-V286 HydrophobicContact CD2-CG1 3.78Å; F284-V286 HydrophobicContact CE2-CG1 3.56Å; F284-C292 HydrophobicContact CZ-CB 4.4Å; F284-E295 HydrophobicContact CE2-CB 4.07Å; F284-N298 HydrophobicContact CB-CB 4.39Å; F284-N298 HydrophobicContact CD1-CB 4.32Å; F284-N298 HydrophobicContact CD2-CB 4.29Å; F284-N298 HydrophobicContact CG-CB 4.1Å
285T75.8Confident74.9Confident81 Ų8169.6 Ų69.650%0.49740%0.403SS..EExtended strand (participates in β ladder)trans-111.1131.6179.855.50000110.7R273 L274R273-T285 CarbonylContact O-C 3.55Å; R273-T285 VanDerWaalsContact O-CA 3.27Å; R273-T285 WeakPolarHBondContact O-CA 3.3Å; L274-T285 HydrophobicContact CD1-CG2 4.15Å
286V77.7Confident74.4Confident1 Ų171.4 Ų71.41%0.00642%0.418CS..EExtended strand (participates in β ladder)trans-113.4160.7170.6-57.30000110.2L272 R273 F284 K290 E295L272-V286 CarbonylContact C-O 3.55Å; L272-V286 WeakPolarHBondContact CA-O 3.39Å; R273-V286 HydrophobicContact CB-CG2 3.75Å; R273-V286 HydrophobicContact CG-CG2 4.18Å; R273-V286 PolarHBondContact N-O 2.88Å; R273-V286 PolarHBondContact O-N 3.13Å; F284-V286 HydrophobicContact CD2-CG1 3.78Å; F284-V286 HydrophobicContact CE2-CG1 3.56Å; V286-K290 HydrophobicContact CB-CB 4.39Å; V286-K290 HydrophobicContact CG2-CB 4.44Å; V286-E295 HydrophobicContact CG1-CB 4.07Å; V286-E295 HydrophobicContact CG1-CG 4.14Å
287Q76.3Confident74.3Confident89 Ų8973 Ų7342%0.41642%0.416SS..EExtended strand (participates in β ladder)trans-56.4142.4170.2-68.8176.8-13.500110.5N289 K290Q287-N289 WeakPolarHBondContact CB-OD1 3.34Å; Q287-N289 PolarHBondContact O-N 2.69Å; Q287-N289 VanDerWaalsContact O-N 3.1Å; Q287-K290 HydrophobicContact CB-CD 4.22Å; Q287-K290 HydrophobicContact CB-CG 4.2Å; Q287-K290 WeakPolarHBondContact O-CB 3.37Å; Q287-K290 PolarHBondContact O-N 3.33Å; Q287-K290 VanDerWaalsContact OE1-CE 3.28Å
288G73.6Confident74Confident25 Ų2575.8 Ų75.826%0.25843%0.43SS..THydrogen-bonded Turntrans-57.2-29.7-172.300000114.6G271G271-G288 WeakPolarHBondContact O-CA 3.48Å; G271-G288 PolarHBondContact O-N 3.07Å
289N73.6Confident73.6Confident76 Ų7670.8 Ų70.841%0.40640%0.395SS..THydrogen-bonded Turntrans-82.4-8.5175.766-13000114.3Q287Q287-N289 WeakPolarHBondContact CB-OD1 3.34Å; Q287-N289 PolarHBondContact O-N 2.69Å; Q287-N289 VanDerWaalsContact O-N 3.1Å
290K77.1Confident73.5Confident73 Ų7377.1 Ų77.132%0.31741%0.406SS..SBendtrans-95.5144.5179.5-68.9-175.2-178.8177.50111.4V286 Q287V286-K290 HydrophobicContact CB-CB 4.39Å; V286-K290 HydrophobicContact CG2-CB 4.44Å; Q287-K290 HydrophobicContact CB-CD 4.22Å; Q287-K290 HydrophobicContact CB-CG 4.2Å; Q287-K290 WeakPolarHBondContact O-CB 3.37Å; Q287-K290 PolarHBondContact O-N 3.33Å; Q287-K290 VanDerWaalsContact OE1-CE 3.28Å
291R77.8Confident73.6Confident167 Ų16777.6 Ų77.663%0.6341%0.405SS*.  trans-77.2146.7170.9-66.7-173.7179.1-171.50.8109.3A293 N294R291-A293 PolarHBondContact O-N 3.39Å; R291-A293 VanDerWaalsContact O-N 3.09Å; R291-N294 WeakPolarHBondContact O-CB 3.37Å; R291-N294 PolarHBondContact O-N 3.04Å
292C74.7Confident73.7Confident37 Ų3778.7 Ų78.725%0.2540%0.396CS..G310 helixtrans-55.1-28.8173.8-62.70000112.9C275 F284 N294 E295C275-C292 HydrophobicContact CB-CB 3.7Å; C275-C292 WeakPolarHBondContact CB-SG 3.39Å; C275-C292 WeakPolarHBondContact SG-CA 3.01Å; C275-C292 WeakPolarHBondContact SG-CB 3.26Å; C275-C292 CovalentContact SG-SG 2.03Å; C275-C292 PolarHBondContact SG-SG 2.98Å; F284-C292 HydrophobicContact CZ-CB 4.4Å; C292-N294 PolarHBondContact O-N 3.16Å; C292-E295 PolarHBondContact O-N 3.27Å
293A76.5Confident74Confident76 Ų7675.6 Ų75.663%0.62839%0.39SS*.G310 helixtrans-62.8-25176.700000113.9R291 E295 A296R291-A293 PolarHBondContact O-N 3.39Å; R291-A293 VanDerWaalsContact O-N 3.09Å; A293-E295 PolarHBondContact O-N 3.29Å; A293-A296 PolarHBondContact O-N 3.18Å
294N72.1Confident74Confident101 Ų10175.2 Ų75.254%0.5439%0.388SS..G310 helixtrans-69.2-23.8-177.4-66.92000112.5R291 C292R291-N294 WeakPolarHBondContact O-CB 3.37Å; R291-N294 PolarHBondContact O-N 3.04Å; C292-N294 PolarHBondContact O-N 3.16Å
295E72.5Confident73.8Confident47 Ų4778.4 Ų78.422%0.2241%0.405CS..G310 helixtrans-119.434.6178.3-64.6-173.7-170.500111.7F284 V286 C292 A293 H297 N298F284-E295 HydrophobicContact CE2-CB 4.07Å; V286-E295 HydrophobicContact CG1-CB 4.07Å; V286-E295 HydrophobicContact CG1-CG 4.14Å; C292-E295 PolarHBondContact O-N 3.27Å; A293-E295 PolarHBondContact O-N 3.29Å; E295-H297 PolarHBondContact O-N 2.97Å; E295-N298 WeakPolarHBondContact O-CB 3.47Å; E295-N298 PolarHBondContact O-N 2.84Å; E295-N298 PolarHBondContact OE2-ND2 3.1Å
296A69.5Low73.7Confident42 Ų4278.2 Ų78.235%0.34740%0.399SS..G310 helixtrans-57.4-18.7176.400000113.5A293 N298 C299A293-A296 PolarHBondContact O-N 3.18Å; A296-N298 PolarHBondContact O-N 3.09Å; A296-C299 WeakPolarHBondContact O-CB 3.38Å; A296-C299 PolarHBondContact O-N 3.01Å
297H75.1Confident73.4Confident122 Ų12283.7 Ų83.757%0.56543%0.427SS*.G310 helixtrans-60.2-27.117362.9-91.3000113E295 C299 Y300E295-H297 PolarHBondContact O-N 2.97Å; H297-C299 PolarHBondContact O-N 3.39Å; H297-C299 VanDerWaalsContact O-N 3.16Å; H297-Y300 PolarHBondContact O-N 3.33Å
298N70.2Confident73.2Confident61 Ų6183.3 Ų83.333%0.32643%0.428SS..G310 helixtrans-67.9-9.7175.2-69.4-28.1000113.4F284 E295 A296F284-N298 HydrophobicContact CB-CB 4.39Å; F284-N298 HydrophobicContact CD1-CB 4.32Å; F284-N298 HydrophobicContact CD2-CB 4.29Å; F284-N298 HydrophobicContact CG-CB 4.1Å; E295-N298 WeakPolarHBondContact O-CB 3.47Å; E295-N298 PolarHBondContact O-N 2.84Å; E295-N298 PolarHBondContact OE2-ND2 3.1Å; A296-N298 PolarHBondContact O-N 3.09Å
299C67.9Low73.2Confident26 Ų2688.2 Ų88.218%0.17644%0.442CS..G310 helixtrans-92.2-8.7178.8-64.90000114.9C277 A296 H297C277-C299 VanDerWaalsContact CA-SG 3.59Å; C277-C299 HydrophobicContact CB-CB 3.71Å; C277-C299 WeakPolarHBondContact CB-SG 3.04Å; C277-C299 WeakPolarHBondContact SG-CA 3.06Å; C277-C299 WeakPolarHBondContact SG-CB 2.99Å; C277-C299 CovalentContact SG-SG 2.04Å; C277-C299 PolarHBondContact SG-SG 2.78Å; A296-C299 WeakPolarHBondContact O-CB 3.38Å; A296-C299 PolarHBondContact O-N 3.01Å; H297-C299 PolarHBondContact O-N 3.39Å; H297-C299 VanDerWaalsContact O-N 3.16Å
300Y70.8Confident73.1Confident230 Ų23089.3 Ų89.390%0.90245%0.446SS*.  trans-87.60174.7-58.1-77.3000112.3R282 H297R282-Y300 PolarHBondContact NH1-O 3.33Å; H297-Y300 PolarHBondContact O-N 3.33Å

Retrieved 300 of 300 residues in 161.3 ms (Link to these results)