A0A087WR01_MOUSE Loading...

Transforming growth factor, beta receptor associated protein 1

AlphaFold DB , UniProt , Accession A0A087WR01, Species MOUSE (Mus musculus, Mouse), Gene Tgfbrap1, Length 107 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.4Low77.4Confident251 Ų251134.6 Ų134.6100%1.23671%0.711SS**  0124.20-81.8169.7171.900108
2M53.9Low78.5Confident187 Ų187126.6 Ų126.692%0.92168%0.678SS**  trans-83.2117.3178.9-138.7170.1-168.900108.1
3N73.2Confident79.4Confident157 Ų157119 Ų11984%0.8464%0.639SS**  trans-89.6105.5177.1-169.9-0.2000108.4
4I80.8Confident79.8Confident148 Ų148117.7 Ų117.776%0.75963%0.627SS**  trans-84.3112.8177.3-62.7171.6000107.9A6I4-A6 PolarHBondContact O-N 3.47Å
5K79.6Confident79.9Confident147 Ų147118 Ų11864%0.63962%0.616SS**  trans-90.798.7173.6-165.4-177.5-171.2-165.80109.6F7 T8K5-F7 WeakPolarHBondContact CE-O 3.43Å; K5-F7 WeakPolarHBondContact CG-O 3.41Å; K5-T8 WeakPolarHBondContact CE-OG1 3.2Å; K5-T8 PolarHBondContact NZ-OG1 3.5Å
6A82.4Confident80.2Confident92 Ų92119.2 Ų119.276%0.7662%0.618SS**  trans-72.9-28.9-17700000113.8I4I4-A6 PolarHBondContact O-N 3.47Å
7F83.1Confident80.3Confident165 Ų165116.4 Ų116.472%0.72460%0.603SS**  trans-151160.8176.960.2-88.9000111.2K5K5-F7 WeakPolarHBondContact CE-O 3.43Å; K5-F7 WeakPolarHBondContact CG-O 3.41Å
8T83.8Confident80.1Confident58 Ų58110.4 Ų110.436%0.35657%0.572SS.*  trans-120.3128.1170.1-61.60000108K5 V10 T60K5-T8 WeakPolarHBondContact CE-OG1 3.2Å; K5-T8 PolarHBondContact NZ-OG1 3.5Å; T8-V10 HydrophobicContact CG2-CG1 4.21Å; T8-V10 PolarHBondContact O-N 2.87Å; T8-T60 HydrophobicContact CG2-CG2 4.13Å
9L86.1Confident79.8Confident164 Ų164105.6 Ų105.686%0.85955%0.547SS*.  trans-70.5129.3170.4-173.768.4000108.6
10V88Confident79.7Confident55 Ų55102.3 Ų102.333%0.33354%0.54SS..  trans-129.5140.5176.5-63.30000108.8T8 F63T8-V10 HydrophobicContact CG2-CG1 4.21Å; T8-V10 PolarHBondContact O-N 2.87Å; V10-F63 HydrophobicContact CG2-CD2 3.84Å; V10-F63 HydrophobicContact CG2-CE2 4.06Å
11S88.4Confident79.2Confident57 Ų57105.2 Ų105.240%0.39956%0.556SS.*  trans-74.9131.2175.1-172.40000109.6E14S11-E14 WeakPolarHBondContact CB-OE1 3.07Å; S11-E14 PolarHBondContact OG-OE1 3.38Å
12A89.8Confident80.3Confident38 Ų3899.9 Ų99.931%0.31452%0.522SS..SBendtrans-97.6-42.617700000111.6L51 A65A12-L51 HydrophobicContact CB-CD2 4.45Å; A12-A65 WeakPolarHBondContact O-CB 3.33Å
13V90.2Very high81.1Confident28 Ų2896.8 Ų96.817%0.1751%0.509CS..SBendtrans-137.5124.2178.7-172.50000108.3L17 L18 L37 F49 L51 A65V13-L17 HydrophobicContact CG1-CB 4.13Å; V13-L17 HydrophobicContact CG1-CD1 4.46Å; V13-L18 HydrophobicContact CB-CD1 4.3Å; V13-L18 HydrophobicContact CG1-CD1 3.65Å; V13-L18 HydrophobicContact CG1-CG 3.74Å; V13-L37 HydrophobicContact CG2-CD2 3.37Å; V13-F49 HydrophobicContact CG1-CD1 4.28Å; V13-F49 HydrophobicContact CG1-CE1 4.02Å; V13-F49 HydrophobicContact CG1-CE2 4.37Å; V13-F49 HydrophobicContact CG1-CZ 4.07Å; V13-F49 HydrophobicContact CG2-CG 4.35Å; V13-L51 HydrophobicContact CG2-CD2 4.18Å; V13-A65 HydrophobicContact CB-CB 4.37Å; V13-A65 HydrophobicContact CG1-CB 4.49Å; V13-A65 HydrophobicContact CG2-CB 3.71Å
14E86.1Confident81.6Confident101 Ų10197.2 Ų97.247%0.47251%0.506SS..  trans-84.4155.5175.6-62.3-64.3163.200111.6S11 E16 L17S11-E14 WeakPolarHBondContact CB-OE1 3.07Å; S11-E14 PolarHBondContact OG-OE1 3.38Å; E14-E16 VanDerWaalsContact CB-OE2 3.26Å; E14-E16 WeakPolarHBondContact CB-OE2 3.32Å; E14-E16 PolarHBondContact O-N 2.94Å; E14-L17 PolarHBondContact O-N 3.38Å; E14-L17 VanDerWaalsContact O-N 3.15Å
15R81.1Confident81.9Confident122 Ų12291.1 Ų91.146%0.4648%0.475SS..Hα-helixtrans-56.8-36.4-175.9-177.5173.2175-174.8-9.6112.3L17 L18 M19 D23R15-L17 VanDerWaalsContact C-N 3.28Å; R15-L17 PolarHBondContact O-N 2.8Å; R15-L18 PolarHBondContact O-N 3Å; R15-L18 VanDerWaalsContact O-N 3.16Å; R15-M19 HydrophobicContact CG-CB 4.35Å; R15-M19 HydrophobicContact CG-CG 4.13Å; R15-M19 HydrophobicContact CG-SD 3.68Å; R15-M19 PolarHBondContact O-N 2.88Å; R15-D23 IonicContact NH2-OD1 3.29Å; R15-D23 PolarHBondContact NH2-OD1 2.82Å
16E83.7Confident82.5Confident137 Ų13786.2 Ų86.264%0.6446%0.459SS*.Hα-helixtrans-62.8-35.6-177-61.272.3-156.700111.6E14 G20E14-E16 VanDerWaalsContact CB-OE2 3.26Å; E14-E16 WeakPolarHBondContact CB-OE2 3.32Å; E14-E16 PolarHBondContact O-N 2.94Å; E16-G20 PolarHBondContact O-N 3.44Å
17L82.6Confident83.1Confident71 Ų7185.8 Ų85.837%0.37244%0.443SS..Hα-helixtrans-71.9-31.3178.2-72.6168.6000112.5V13 E14 R15 F49 A65 K67V13-L17 HydrophobicContact CG1-CB 4.13Å; V13-L17 HydrophobicContact CG1-CD1 4.46Å; E14-L17 PolarHBondContact O-N 3.38Å; E14-L17 VanDerWaalsContact O-N 3.15Å; R15-L17 VanDerWaalsContact C-N 3.28Å; R15-L17 PolarHBondContact O-N 2.8Å; L17-F49 HydrophobicContact CB-CE1 4.07Å; L17-A65 HydrophobicContact CD1-CB 4.29Å; L17-K67 PolarHBondContact O-NZ 2.94Å; L17-K67 VanDerWaalsContact O-NZ 3.13Å
18L77.7Confident83.7Confident9 Ų982 Ų825%0.04743%0.428CS..Hα-helixtrans-83.1-52.5-179.5-82.7158.8000111.9V13 R15 I27 V39 Y47 F49V13-L18 HydrophobicContact CB-CD1 4.3Å; V13-L18 HydrophobicContact CG1-CD1 3.65Å; V13-L18 HydrophobicContact CG1-CG 3.74Å; R15-L18 PolarHBondContact O-N 3Å; R15-L18 VanDerWaalsContact O-N 3.16Å; L18-I27 HydrophobicContact CD1-CD1 3.64Å; L18-I27 HydrophobicContact CD1-CG1 4.26Å; L18-V39 HydrophobicContact CD2-CB 4.02Å; L18-V39 HydrophobicContact CD2-CG1 3.81Å; L18-V39 HydrophobicContact CD2-CG2 4.17Å; L18-Y47 HydrophobicContact CD2-CD2 4.18Å; L18-Y47 HydrophobicContact CD2-CG 4.32Å; L18-F49 HydrophobicContact CD2-CE2 3.42Å; L18-F49 VanDerWaalsContact CD2-CE2 3.42Å; L18-F49 HydrophobicContact CD2-CZ 3.55Å; L18-F49 HydrophobicContact CG-CE2 4.04Å; L18-F49 HydrophobicContact CG-CZ 3.76Å
19M74.4Confident84.4Confident20 Ų2080.2 Ų80.210%0.09942%0.417CS..Hα-helixtrans-122-15-154.9-37178.588.300112.7R15 D21 R22 I25R15-M19 HydrophobicContact CG-CB 4.35Å; R15-M19 HydrophobicContact CG-CG 4.13Å; R15-M19 HydrophobicContact CG-SD 3.68Å; R15-M19 PolarHBondContact O-N 2.88Å; M19-D21 PolarHBondContact O-N 3.39Å; M19-R22 WeakPolarHBondContact O-CB 3.36Å; M19-R22 WeakPolarHBondContact O-CG 3.01Å; M19-R22 PolarHBondContact O-N 2.77Å; M19-I25 HydrophobicContact CE-CB 3.23Å; M19-I25 HydrophobicContact CE-CG2 3.33Å; M19-I25 WeakPolarHBondContact CE-O 3.11Å
20G76Confident84.9Confident39 Ų3976.4 Ų76.440%0.40240%0.401SS..THydrogen-bonded Turntrans48.6-133.1-166.800000110.6E16 R22E16-G20 PolarHBondContact O-N 3.44Å; G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 2.61Å
21D70.8Confident85.4Confident164 Ų16476.3 Ų76.388%0.87740%0.396SS*.THydrogen-bonded Turntrans-87.216178.1-66.3-26000114.3M19 D23M19-D21 PolarHBondContact O-N 3.39Å; D21-D23 PolarHBondContact O-N 2.8Å
22R75.1Confident85.7Confident138 Ų13877.1 Ų77.152%0.52140%0.401SS..  trans-82.2106.5179.9-58.4-168.7-152.6169.44.3110.7M19 G20 H24 I25 D43M19-R22 WeakPolarHBondContact O-CB 3.36Å; M19-R22 WeakPolarHBondContact O-CG 3.01Å; M19-R22 PolarHBondContact O-N 2.77Å; G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 2.61Å; R22-H24 VanDerWaalsContact C-N 3.26Å; R22-H24 PolarHBondContact O-N 3.39Å; R22-I25 HydrophobicContact CB-CD1 3.98Å; R22-I25 HydrophobicContact CB-CG1 4.13Å; R22-I25 HydrophobicContact CG-CD1 4.42Å; R22-D43 IonicContact NH1-OD2 3.92Å
23D70.3Confident86Confident123 Ų12376.6 Ų76.666%0.65840%0.395SS*.THydrogen-bonded Turntrans-72.6-9.6-175.5-77.2-34.5000116R15 D21R15-D23 IonicContact NH2-OD1 3.29Å; R15-D23 PolarHBondContact NH2-OD1 2.82Å; D21-D23 PolarHBondContact O-N 2.8Å
24H83.1Confident86.2Confident166 Ų16679 Ų7977%0.76943%0.425SS*.THydrogen-bonded Turntrans-114.42.5-172.3-60.5-43.4000115R22 N42R22-H24 VanDerWaalsContact C-N 3.26Å; R22-H24 PolarHBondContact O-N 3.39Å; H24-N42 PolarHBondContact O-ND2 2.89Å
25I88.6Confident86.6Confident20 Ų2081.6 Ų81.610%0.10343%0.431CS..  trans-80.4146.8172.5-56.4-180000107.4M19 R22 T41 N42 D43M19-I25 HydrophobicContact CE-CB 3.23Å; M19-I25 HydrophobicContact CE-CG2 3.33Å; M19-I25 WeakPolarHBondContact CE-O 3.11Å; R22-I25 HydrophobicContact CB-CD1 3.98Å; R22-I25 HydrophobicContact CB-CG1 4.13Å; R22-I25 HydrophobicContact CG-CD1 4.42Å; I25-T41 HydrophobicContact CG2-CG2 3.73Å; I25-N42 VanDerWaalsContact CA-OD1 3.25Å; I25-N42 WeakPolarHBondContact CA-OD1 3.43Å; I25-D43 WeakPolarHBondContact CD1-OD2 3.25Å; I25-D43 HydrophobicContact CG1-CB 4.46Å
26S92.1Very high87.3Confident43 Ų4378.1 Ų78.130%0.30142%0.421SS..  trans-133.1149.6167.749.40000109.7E28 T41 N42S26-E28 PolarHBondContact OG-OE1 3.23Å; S26-T41 WeakPolarHBondContact O-CA 3.44Å; S26-T41 WeakPolarHBondContact O-CB 3.4Å; S26-N42 PolarHBondContact N-OD1 2.9Å; S26-N42 PolarHBondContact O-N 3.36Å; S26-N42 VanDerWaalsContact O-N 3.13Å; S26-N42 VanDerWaalsContact OG-CB 3.31Å; S26-N42 WeakPolarHBondContact OG-CB 3.12Å; S26-N42 PolarHBondContact OG-ND2 2.88Å
27I94.4Very high87.9Confident84 Ų8472.3 Ų72.343%0.43140%0.395SS..EExtended strand (participates in β ladder)trans-78.7125.7168.5-59173.8000107.4L18 V30 V39L18-I27 HydrophobicContact CD1-CD1 3.64Å; L18-I27 HydrophobicContact CD1-CG1 4.26Å; I27-V30 HydrophobicContact CG2-CG1 3.83Å; I27-V39 HydrophobicContact CB-CG1 4.3Å; I27-V39 HydrophobicContact CD1-CG1 4.27Å; I27-V39 HydrophobicContact CG1-CG1 3.91Å; I27-V39 HydrophobicContact CG2-CG1 3.67Å
28E96.6Very high88.6Confident86 Ų8669.1 Ų69.140%0.40238%0.378SS..EExtended strand (participates in β ladder)trans-105.5-36.2-177.5-63.4-67.2135.100111.1S26 G40 N42 P78 V79S26-E28 PolarHBondContact OG-OE1 3.23Å; E28-G40 PolarHBondContact N-O 2.88Å; E28-N42 HydrophobicContact CG-CB 3.9Å; E28-N42 VanDerWaalsContact CG-N 3.31Å; E28-P78 HydrophobicContact CG-CB 4.07Å; E28-V79 VanDerWaalsContact CB-O 3.24Å; E28-V79 WeakPolarHBondContact CB-O 3.4Å
29C97.6Very high89.5Confident19 Ų1968.8 Ų68.813%0.12838%0.376CS..EExtended strand (participates in β ladder)trans-152.7159.1176.358.40000111.6G40 V79C29-G40 PolarHBondContact N-O 2.93Å; C29-G40 PolarHBondContact O-N 3.02Å; C29-V79 PolarHBondContact SG-O 2.54Å
30V97.5Very high90.6Very high85 Ų8567.9 Ų67.952%0.51537%0.372SS..EExtended strand (participates in β ladder)trans-135.8146.7175-62.80000109.7I27 L37 Y38 V39I27-V30 HydrophobicContact CG2-CG1 3.83Å; V30-L37 HydrophobicContact CB-CD1 4.21Å; V30-Y38 CarbonylContact C-O 3.58Å; V30-Y38 VanDerWaalsContact CA-O 3.3Å; V30-Y38 WeakPolarHBondContact CA-O 3.17Å; V30-V39 HydrophobicContact CG1-CG1 4.32Å; V30-V39 HydrophobicContact CG1-CG2 4.25Å
31E97.8Very high91.5Very high52 Ų5266.1 Ų66.124%0.24335%0.353CS..EExtended strand (participates in β ladder)trans-141.8136.3173.5174.763.3170.300110.7Y38 L82 A84 L91E31-Y38 PolarHBondContact N-O 2.86Å; E31-Y38 PolarHBondContact O-N 2.91Å; E31-L82 HydrophobicContact CB-CB 3.66Å; E31-A84 HydrophobicContact CG-CB 3.81Å; E31-A84 WeakPolarHBondContact OE1-CB 3.37Å; E31-A84 PolarHBondContact OE1-N 3.27Å; E31-L91 HydrophobicContact CG-CD1 4.16Å
32C95.3Very high92.7Very high74 Ų7460.6 Ų60.650%0.532%0.323SS..EExtended strand (participates in β ladder)trans-111.8131.8-179-730000111.6N36 L37C32-N36 CarbonylContact C-O 3.43Å; C32-N36 WeakPolarHBondContact CA-O 3.44Å; C32-L37 VanDerWaalsContact SG-CD1 3.52Å
33C95.3Very high93.6Very high27 Ų2756.1 Ų56.118%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-129.791.2172.3-178.90000110.4R35 N36 Y38 A84 S86 M104C33-R35 PolarHBondContact O-N 2.82Å; C33-N36 PolarHBondContact N-O 3.34Å; C33-N36 WeakPolarHBondContact O-CB 3.37Å; C33-N36 PolarHBondContact O-N 3.31Å; C33-N36 VanDerWaalsContact O-N 3.09Å; C33-N36 PolarHBondContact O-ND2 3.09Å; C33-N36 VanDerWaalsContact O-ND2 3.13Å; C33-Y38 HydrophobicContact CB-CE2 4.08Å; C33-A84 HydrophobicContact CB-CB 3.93Å; C33-S86 WeakPolarHBondContact SG-CB 3.46Å; C33-M104 HydrophobicContact CB-CE 4.35Å
34G93.9Very high94.8Very high79 Ų7950.2 Ų50.281%0.81428%0.279SS*.THydrogen-bonded Turntrans64.3-120.7-17100000110.3N36G34-N36 VanDerWaalsContact C-N 3.32Å
35R95.1Very high95.3Very high156 Ų15644 Ų4459%0.58925%0.249SC*.THydrogen-bonded Turntrans-84.7-4.8175.4-68.9-174.9-68.7172.8-0.7113.7C33 L50 L51C33-R35 PolarHBondContact O-N 2.82Å; R35-L50 HydrophobicContact CB-CD1 3.71Å; R35-L51 WeakPolarHBondContact CB-O 3.39Å; R35-L51 WeakPolarHBondContact CG-O 3.41Å; R35-L51 PolarHBondContact O-N 3.13Å
36N95.8Very high95.7Very high48 Ų4843.1 Ų43.126%0.25725%0.245SC..EExtended strand (participates in β ladder)trans-87.6127179.2-56.8-74.1000109.3C32 C33 G34 Y38 H48 F49C32-N36 CarbonylContact C-O 3.43Å; C32-N36 WeakPolarHBondContact CA-O 3.44Å; C33-N36 PolarHBondContact N-O 3.34Å; C33-N36 WeakPolarHBondContact O-CB 3.37Å; C33-N36 PolarHBondContact O-N 3.31Å; C33-N36 VanDerWaalsContact O-N 3.09Å; C33-N36 PolarHBondContact O-ND2 3.09Å; C33-N36 VanDerWaalsContact O-ND2 3.13Å; G34-N36 VanDerWaalsContact C-N 3.32Å; N36-Y38 HydrophobicContact CB-CE2 3.9Å; N36-H48 PolarHBondContact OD1-NE2 2.85Å; N36-F49 WeakPolarHBondContact CA-O 3.42Å
37L96.5Very high95.9Very high15 Ų1541.5 Ų41.58%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-110.8125.7170.9171.668000108.5V13 V30 C32 V39 H48 F49 L51V13-L37 HydrophobicContact CG2-CD2 3.37Å; V30-L37 HydrophobicContact CB-CD1 4.21Å; C32-L37 VanDerWaalsContact SG-CD1 3.52Å; L37-V39 HydrophobicContact CD1-CG2 4.44Å; L37-V39 HydrophobicContact CD2-CG2 4.19Å; L37-V39 HydrophobicContact CG-CG2 3.98Å; L37-H48 CarbonylContact O-C 3.58Å; L37-H48 WeakPolarHBondContact O-CA 3.05Å; L37-F49 HydrophobicContact CB-CB 4.35Å; L37-F49 PolarHBondContact N-O 3.36Å; L37-F49 PolarHBondContact O-N 3.14Å; L37-L51 HydrophobicContact CB-CD1 3.94Å; L37-L51 HydrophobicContact CB-CD2 4.4Å; L37-L51 HydrophobicContact CB-CG 3.98Å; L37-L51 HydrophobicContact CD2-CD1 4.21Å; L37-L51 HydrophobicContact CD2-CD2 4.16Å; L37-L51 HydrophobicContact CD2-CG 4.47Å
38Y97.2Very high96Very high4 Ų438.2 Ų38.22%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-107.3133.9173.4-55.9-73.7000109.3V30 E31 C33 N36 Y47 H48 L91 M104 L107V30-Y38 CarbonylContact C-O 3.58Å; V30-Y38 VanDerWaalsContact CA-O 3.3Å; V30-Y38 WeakPolarHBondContact CA-O 3.17Å; E31-Y38 PolarHBondContact N-O 2.86Å; E31-Y38 PolarHBondContact O-N 2.91Å; C33-Y38 HydrophobicContact CB-CE2 4.08Å; N36-Y38 HydrophobicContact CB-CE2 3.9Å; Y38-Y47 CarbonylContact C-O 3.59Å; Y38-Y47 VanDerWaalsContact CA-O 3.28Å; Y38-Y47 WeakPolarHBondContact CA-O 3.48Å; Y38-H48 HydrophobicContact CD1-CB 3.93Å; Y38-H48 HydrophobicContact CE1-CB 3.89Å; Y38-H48 AromaticContact CE1-CD2 3.5Å; Y38-H48 VanDerWaalsContact CE1-CD2 3.5Å; Y38-H48 WeakPolarHBondContact CE1-CD2 3.24Å; Y38-H48 AromaticContact CE1-CG 3.65Å; Y38-L91 HydrophobicContact CD1-CD2 3.99Å; Y38-L91 HydrophobicContact CD2-CD1 3.9Å; Y38-L91 HydrophobicContact CD2-CD2 4.32Å; Y38-L91 HydrophobicContact CE2-CD1 4.43Å; Y38-L91 HydrophobicContact CG-CD1 4.19Å; Y38-L91 HydrophobicContact CG-CD2 3.81Å; Y38-M104 HydrophobicContact CE2-CE 4.02Å; Y38-M104 HydrophobicContact CE2-CG 4.31Å; Y38-M104 HydrophobicContact CE2-SD 4.48Å; Y38-M104 WeakPolarHBondContact OH-CB 3.3Å; Y38-L107 HydrophobicContact CD1-CD1 3.4Å; Y38-L107 HydrophobicContact CE1-CD1 3.26Å
39V97Very high95.9Very high3 Ų334.1 Ų34.12%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-126.7120.7-177.3-175.20000108.8L18 I27 V30 L37 I46 Y47 F49L18-V39 HydrophobicContact CD2-CB 4.02Å; L18-V39 HydrophobicContact CD2-CG1 3.81Å; L18-V39 HydrophobicContact CD2-CG2 4.17Å; I27-V39 HydrophobicContact CB-CG1 4.3Å; I27-V39 HydrophobicContact CD1-CG1 4.27Å; I27-V39 HydrophobicContact CG1-CG1 3.91Å; I27-V39 HydrophobicContact CG2-CG1 3.67Å; V30-V39 HydrophobicContact CG1-CG1 4.32Å; V30-V39 HydrophobicContact CG1-CG2 4.25Å; L37-V39 HydrophobicContact CD1-CG2 4.44Å; L37-V39 HydrophobicContact CD2-CG2 4.19Å; L37-V39 HydrophobicContact CG-CG2 3.98Å; V39-I46 CarbonylContact O-C 3.55Å; V39-I46 WeakPolarHBondContact O-CA 3.36Å; V39-Y47 PolarHBondContact N-O 2.89Å; V39-Y47 PolarHBondContact O-N 3.19Å; V39-F49 HydrophobicContact CG2-CD2 4.14Å; V39-F49 HydrophobicContact CG2-CE2 4.09Å
40G96.9Very high95.9Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-95.2136.9173.600000110.8E28 C29 F45E28-G40 PolarHBondContact N-O 2.88Å; C29-G40 PolarHBondContact N-O 2.93Å; C29-G40 PolarHBondContact O-N 3.02Å; G40-F45 WeakPolarHBondContact CA-O 3.28Å
41T95.8Very high95.7Very high2 Ų232.3 Ų32.31%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-118.1164.4-177.858.60000113.2I25 S26 D43 C44 F45 Y47 V79I25-T41 HydrophobicContact CG2-CG2 3.73Å; S26-T41 WeakPolarHBondContact O-CA 3.44Å; S26-T41 WeakPolarHBondContact O-CB 3.4Å; T41-D43 VanDerWaalsContact CB-OD1 3.29Å; T41-D43 WeakPolarHBondContact CB-OD1 3.21Å; T41-D43 PolarHBondContact O-N 2.85Å; T41-D43 PolarHBondContact OG1-OD1 2.79Å; T41-C44 PolarHBondContact O-N 2.87Å; T41-F45 PolarHBondContact N-O 2.81Å; T41-F45 WeakPolarHBondContact OG1-CB 3.46Å; T41-F45 PolarHBondContact OG1-N 3.32Å; T41-F45 PolarHBondContact OG1-O 3.13Å; T41-Y47 HydrophobicContact CG2-CD2 3.88Å; T41-Y47 HydrophobicContact CG2-CE2 3.72Å; T41-V79 PolarHBondContact O-N 3.27Å
42N95.4Very high95.6Very high48 Ų4834 Ų3426%0.25719%0.19SC..THydrogen-bonded Turntrans-65.4-24.9177.367.2-27.8000113.7H24 I25 S26 E28 C44 P78H24-N42 PolarHBondContact O-ND2 2.89Å; I25-N42 VanDerWaalsContact CA-OD1 3.25Å; I25-N42 WeakPolarHBondContact CA-OD1 3.43Å; S26-N42 PolarHBondContact N-OD1 2.9Å; S26-N42 PolarHBondContact O-N 3.36Å; S26-N42 VanDerWaalsContact O-N 3.13Å; S26-N42 VanDerWaalsContact OG-CB 3.31Å; S26-N42 WeakPolarHBondContact OG-CB 3.12Å; S26-N42 PolarHBondContact OG-ND2 2.88Å; E28-N42 HydrophobicContact CG-CB 3.9Å; E28-N42 VanDerWaalsContact CG-N 3.31Å; N42-C44 PolarHBondContact O-N 2.88Å; N42-P78 HydrophobicContact CB-CG 4.43Å
43D93.3Very high95.4Very high44 Ų4437 Ų3724%0.23520%0.196CC..THydrogen-bonded Turntrans-90.523.117775.4-28000113.1R22 I25 T41 F45 H72R22-D43 IonicContact NH1-OD2 3.92Å; I25-D43 WeakPolarHBondContact CD1-OD2 3.25Å; I25-D43 HydrophobicContact CG1-CB 4.46Å; T41-D43 VanDerWaalsContact CB-OD1 3.29Å; T41-D43 WeakPolarHBondContact CB-OD1 3.21Å; T41-D43 PolarHBondContact O-N 2.85Å; T41-D43 PolarHBondContact OG1-OD1 2.79Å; D43-F45 VanDerWaalsContact C-N 3.29Å; D43-F45 WeakPolarHBondContact O-CD2 3.31Å; D43-F45 PolarHBondContact O-N 2.85Å; D43-F45 WeakPolarHBondContact OD2-CD2 2.79Å; D43-H72 PolarHBondContact O-CD2 2.78Å; D43-H72 PolarHBondContact O-NE2 3.23Å
44C95.1Very high95.1Very high0 Ų041.8 Ų41.80%021%0.214CC..SBendtrans68.222.7170.6-159.80000114.8T41 N42 H72 L73 F75 K77 C95T41-C44 PolarHBondContact O-N 2.87Å; N42-C44 PolarHBondContact O-N 2.88Å; C44-H72 WeakPolarHBondContact O-CA 3.2Å; C44-L73 PolarHBondContact O-N 2.82Å; C44-F75 WeakPolarHBondContact CB-O 3.29Å; C44-F75 VanDerWaalsContact SG-CB 3.59Å; C44-K77 WeakPolarHBondContact CA-O 3.34Å; C44-K77 WeakPolarHBondContact CB-O 3.37Å; C44-C95 VanDerWaalsContact SG-SG 3.67Å
45F95.1Very high94.7Very high36 Ų3642.1 Ų42.116%0.15821%0.209CC..EExtended strand (participates in β ladder)trans-94.5148.2171.4-80-97.2000112.1G40 T41 D43 Y47 H70 R71 H72 V79G40-F45 WeakPolarHBondContact CA-O 3.28Å; T41-F45 PolarHBondContact N-O 2.81Å; T41-F45 WeakPolarHBondContact OG1-CB 3.46Å; T41-F45 PolarHBondContact OG1-N 3.32Å; T41-F45 PolarHBondContact OG1-O 3.13Å; D43-F45 VanDerWaalsContact C-N 3.29Å; D43-F45 WeakPolarHBondContact O-CD2 3.31Å; D43-F45 PolarHBondContact O-N 2.85Å; D43-F45 WeakPolarHBondContact OD2-CD2 2.79Å; F45-Y47 HydrophobicContact CB-CD2 4.15Å; F45-Y47 HydrophobicContact CB-CE2 3.52Å; F45-Y47 HydrophobicContact CD1-CE1 4.49Å; F45-Y47 HydrophobicContact CG-CE2 4.25Å; F45-H70 AromaticContact CD1-CD2 4Å; F45-H70 AromaticContact CE1-CD2 3.81Å; F45-R71 CarbonylContact C-O 3.44Å; F45-R71 VanDerWaalsContact CA-O 3.31Å; F45-R71 WeakPolarHBondContact CA-O 3.26Å; F45-H72 HydrophobicContact CD1-CB 4.06Å; F45-H72 HydrophobicContact CD2-CB 4.38Å; F45-H72 AromaticContact CD2-CD2 3.66Å; F45-H72 HydrophobicContact CE1-CB 3.68Å; F45-H72 HydrophobicContact CE2-CB 4.04Å; F45-H72 AromaticContact CE2-CD2 3.41Å; F45-H72 VanDerWaalsContact CE2-CD2 3.41Å; F45-H72 WeakPolarHBondContact CE2-CD2 3.49Å; F45-H72 HydrophobicContact CG-CB 4.39Å; F45-H72 HydrophobicContact CZ-CB 3.67Å; F45-H72 AromaticContact CZ-CD2 3.93Å; F45-V79 WeakPolarHBondContact O-CG2 3.15Å
46I96.4Very high94Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-111.5126.3159.2-53.4174.2000107.4V39 H70 R71 L73 V79 L82 L91 V93 V102 L107V39-I46 CarbonylContact O-C 3.55Å; V39-I46 WeakPolarHBondContact O-CA 3.36Å; I46-H70 CarbonylContact O-C 3.54Å; I46-H70 WeakPolarHBondContact O-CA 3.43Å; I46-R71 PolarHBondContact N-O 2.65Å; I46-R71 PolarHBondContact O-N 2.99Å; I46-L73 HydrophobicContact CD1-CD1 4.16Å; I46-L73 HydrophobicContact CD1-CD2 3.82Å; I46-L73 HydrophobicContact CD1-CG 4.31Å; I46-L73 HydrophobicContact CG1-CD1 4.31Å; I46-L73 HydrophobicContact CG1-CD2 4.37Å; I46-L73 HydrophobicContact CG1-CG 4.43Å; I46-V79 HydrophobicContact CG1-CG1 4.42Å; I46-V79 HydrophobicContact CG1-CG2 4.21Å; I46-L82 HydrophobicContact CD1-CD2 3.96Å; I46-L82 HydrophobicContact CG1-CD2 4.31Å; I46-L82 HydrophobicContact CG2-CD1 4.21Å; I46-L91 HydrophobicContact CD1-CD2 4.45Å; I46-L91 HydrophobicContact CG2-CD2 4.11Å; I46-V93 HydrophobicContact CD1-CB 4.41Å; I46-V93 HydrophobicContact CD1-CG1 3.89Å; I46-V93 HydrophobicContact CD1-CG2 3.58Å; I46-V102 HydrophobicContact CD1-CG2 4.42Å; I46-L107 HydrophobicContact CB-CD2 3.7Å; I46-L107 HydrophobicContact CD1-CD2 4.23Å; I46-L107 HydrophobicContact CG2-CD1 4.36Å; I46-L107 HydrophobicContact CG2-CD2 3.57Å
47Y95.8Very high93.2Very high9 Ų942.6 Ų42.64%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-106.9140.2172.6-64.8-79.9000110.4L18 Y38 V39 T41 F45 F49 K67 H70L18-Y47 HydrophobicContact CD2-CD2 4.18Å; L18-Y47 HydrophobicContact CD2-CG 4.32Å; Y38-Y47 CarbonylContact C-O 3.59Å; Y38-Y47 VanDerWaalsContact CA-O 3.28Å; Y38-Y47 WeakPolarHBondContact CA-O 3.48Å; V39-Y47 PolarHBondContact N-O 2.89Å; V39-Y47 PolarHBondContact O-N 3.19Å; T41-Y47 HydrophobicContact CG2-CD2 3.88Å; T41-Y47 HydrophobicContact CG2-CE2 3.72Å; F45-Y47 HydrophobicContact CB-CD2 4.15Å; F45-Y47 HydrophobicContact CB-CE2 3.52Å; F45-Y47 HydrophobicContact CD1-CE1 4.49Å; F45-Y47 HydrophobicContact CG-CE2 4.25Å; Y47-F49 HydrophobicContact CG-CE2 4.44Å; Y47-K67 VanDerWaalsContact CE1-NZ 3.34Å; Y47-H70 HydrophobicContact CD1-CB 3.41Å; Y47-H70 VanDerWaalsContact CD1-CB 3.41Å; Y47-H70 HydrophobicContact CE1-CB 3.68Å; Y47-H70 HydrophobicContact CG-CB 4.31Å
48H96.3Very high92.3Very high15 Ų1547.1 Ų47.17%0.06926%0.258CS..EExtended strand (participates in β ladder)trans-114.8126.6175170.5-146.8000110.1N36 L37 Y38 Q68 L69 L107N36-H48 PolarHBondContact OD1-NE2 2.85Å; L37-H48 CarbonylContact O-C 3.58Å; L37-H48 WeakPolarHBondContact O-CA 3.05Å; Y38-H48 HydrophobicContact CD1-CB 3.93Å; Y38-H48 HydrophobicContact CE1-CB 3.89Å; Y38-H48 AromaticContact CE1-CD2 3.5Å; Y38-H48 VanDerWaalsContact CE1-CD2 3.5Å; Y38-H48 WeakPolarHBondContact CE1-CD2 3.24Å; Y38-H48 AromaticContact CE1-CG 3.65Å; H48-Q68 WeakPolarHBondContact ND1-CB 3.5Å; H48-Q68 PolarHBondContact O-N 3.26Å; H48-L69 HydrophobicContact CB-CB 4.37Å; H48-L69 PolarHBondContact N-O 3.15Å; H48-L107 HydrophobicContact CB-CD1 3.91Å
49F95.9Very high91.1Very high0 Ų050.6 Ų50.60%029%0.294CS..EExtended strand (participates in β ladder)trans-119.1145.2173.6-59.9-91.6000110V13 L17 L18 N36 L37 V39 Y47 A65 T66 K67V13-F49 HydrophobicContact CG1-CD1 4.28Å; V13-F49 HydrophobicContact CG1-CE1 4.02Å; V13-F49 HydrophobicContact CG1-CE2 4.37Å; V13-F49 HydrophobicContact CG1-CZ 4.07Å; V13-F49 HydrophobicContact CG2-CG 4.35Å; L17-F49 HydrophobicContact CB-CE1 4.07Å; L18-F49 HydrophobicContact CD2-CE2 3.42Å; L18-F49 VanDerWaalsContact CD2-CE2 3.42Å; L18-F49 HydrophobicContact CD2-CZ 3.55Å; L18-F49 HydrophobicContact CG-CE2 4.04Å; L18-F49 HydrophobicContact CG-CZ 3.76Å; N36-F49 WeakPolarHBondContact CA-O 3.42Å; L37-F49 HydrophobicContact CB-CB 4.35Å; L37-F49 PolarHBondContact N-O 3.36Å; L37-F49 PolarHBondContact O-N 3.14Å; V39-F49 HydrophobicContact CG2-CD2 4.14Å; V39-F49 HydrophobicContact CG2-CE2 4.09Å; Y47-F49 HydrophobicContact CG-CE2 4.44Å; F49-A65 HydrophobicContact CB-CB 4.45Å; F49-A65 HydrophobicContact CD1-CB 4.31Å; F49-T66 WeakPolarHBondContact CA-O 3.42Å; F49-K67 VanDerWaalsContact CD1-CA 3.48Å; F49-K67 HydrophobicContact CD1-CB 3.87Å; F49-K67 HydrophobicContact CD1-CG 4.3Å; F49-K67 HydrophobicContact CE1-CB 3.6Å; F49-K67 HydrophobicContact CE1-CD 4.28Å; F49-K67 HydrophobicContact CE1-CG 3.78Å; F49-K67 HydrophobicContact CZ-CG 4.21Å
50L95.8Very high90.1Very high41 Ų4152.7 Ų52.722%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-95123.1162.9-175.868.8000108.2R35 E52 A65 T66 Q68R35-L50 HydrophobicContact CB-CD1 3.71Å; L50-E52 HydrophobicContact CD2-CG 4.47Å; L50-E52 HydrophobicContact CG-CG 4.43Å; L50-A65 WeakPolarHBondContact O-CA 3.47Å; L50-T66 PolarHBondContact N-O 2.86Å; L50-T66 PolarHBondContact O-N 3.34Å; L50-Q68 HydrophobicContact CB-CG 3.99Å
51L95.3Very high89.4Confident26 Ų2654 Ų5414%0.13632%0.318CS..EExtended strand (participates in β ladder)trans-95.5125.6175.2-59.4-175.3000110.1A12 V13 R35 L37 F63 A65A12-L51 HydrophobicContact CB-CD2 4.45Å; V13-L51 HydrophobicContact CG2-CD2 4.18Å; R35-L51 WeakPolarHBondContact CB-O 3.39Å; R35-L51 WeakPolarHBondContact CG-O 3.41Å; R35-L51 PolarHBondContact O-N 3.13Å; L37-L51 HydrophobicContact CB-CD1 3.94Å; L37-L51 HydrophobicContact CB-CD2 4.4Å; L37-L51 HydrophobicContact CB-CG 3.98Å; L37-L51 HydrophobicContact CD2-CD1 4.21Å; L37-L51 HydrophobicContact CD2-CD2 4.16Å; L37-L51 HydrophobicContact CD2-CG 4.47Å; L51-F63 HydrophobicContact CB-CD1 4.41Å; L51-A65 HydrophobicContact CD2-CB 3.69Å
52E94.2Very high89Confident88 Ų8856.3 Ų56.341%0.41133%0.332SS..EExtended strand (participates in β ladder)trans-117.3120.6175.1-62.9-172.3112.500109.8L50 F63 V64L50-E52 HydrophobicContact CD2-CG 4.47Å; L50-E52 HydrophobicContact CG-CG 4.43Å; E52-F63 WeakPolarHBondContact O-CA 3.37Å; E52-V64 PolarHBondContact N-O 3.06Å; E52-V64 PolarHBondContact O-N 2.89Å
53E91.1Very high88.8Confident136 Ų13657.4 Ų57.464%0.63634%0.335SS*.EExtended strand (participates in β ladder)trans-79131.5176.1-168178.917000110.2A61 F63E53-A61 HydrophobicContact CG-CB 3.75Å; E53-A61 WeakPolarHBondContact OE1-CB 3.28Å; E53-F63 HydrophobicContact CB-CD1 4.1Å; E53-F63 HydrophobicContact CB-CE1 3.64Å; E53-F63 HydrophobicContact CB-CZ 4.17Å; E53-F63 HydrophobicContact CG-CD1 4.47Å; E53-F63 HydrophobicContact CG-CE1 3.85Å; E53-F63 HydrophobicContact CG-CE2 4.48Å; E53-F63 HydrophobicContact CG-CZ 3.85Å
54K89Confident88.7Confident127 Ų12758.8 Ų58.855%0.55235%0.345SS*.EExtended strand (participates in β ladder)trans-120.3114.1174.6-170.9177.1-177.8178.20109.3M56 T62K54-M56 PolarHBondContact O-N 3.37Å; K54-T62 PolarHBondContact N-O 2.89Å; K54-T62 PolarHBondContact O-N 2.86Å; K54-T62 PolarHBondContact O-OG1 3.29Å
55A86Confident88.7Confident86 Ų8659.4 Ų59.471%0.71135%0.349SS*.EExtended strand (participates in β ladder)trans-68.3126.1172.900000110
56M80.6Confident88.6Confident78 Ų7860.6 Ų60.638%0.38436%0.36SS..  trans-90.7151.6171.9-59.9-68.3-73.400110.3K54 T58 G59 T60 T62K54-M56 PolarHBondContact O-N 3.37Å; M56-T58 PolarHBondContact O-N 3.13Å; M56-G59 PolarHBondContact O-N 2.92Å; M56-T60 WeakPolarHBondContact CB-O 3.43Å; M56-T60 WeakPolarHBondContact CG-O 3.42Å; M56-T60 PolarHBondContact N-O 3.3Å; M56-T62 HydrophobicContact CG-CG2 3.81Å; M56-T62 HydrophobicContact SD-CG2 4.38Å
57P78.1Confident88.5Confident136 Ų13664.1 Ų64.188%0.88338%0.375SS*.THydrogen-bonded Turntrans-56.4-21.6175.9-24.933.9000114.1G59P57-G59 PolarHBondContact O-N 3.14Å
58T77.9Confident88.5Confident111 Ų11168.1 Ų68.168%0.68139%0.394SS*.THydrogen-bonded Turntrans-78.10.6177.254.30000113.8M56 T60M56-T58 PolarHBondContact O-N 3.13Å; T58-T60 PolarHBondContact O-N 3.25Å; T58-T60 PolarHBondContact OG1-OG1 3.49Å
59G73.3Confident88.4Confident76 Ų7670.6 Ų70.678%0.78441%0.408SS*.SBendtrans80.3-2.6-177.300000114.5M56 P57M56-G59 PolarHBondContact O-N 2.92Å; P57-G59 PolarHBondContact O-N 3.14Å
60T75.5Confident88.3Confident48 Ų4875.5 Ų75.529%0.29443%0.43SS..  trans-87.8132.5172.910.40000110.4T8 M56 T58T8-T60 HydrophobicContact CG2-CG2 4.13Å; M56-T60 WeakPolarHBondContact CB-O 3.43Å; M56-T60 WeakPolarHBondContact CG-O 3.42Å; M56-T60 PolarHBondContact N-O 3.3Å; T58-T60 PolarHBondContact O-N 3.25Å; T58-T60 PolarHBondContact OG1-OG1 3.49Å
61A81.8Confident88.2Confident27 Ų2778.1 Ų78.122%0.22344%0.437CS..EExtended strand (participates in β ladder)trans-81.9137.9169.700000110.5E53E53-A61 HydrophobicContact CG-CB 3.75Å; E53-A61 WeakPolarHBondContact OE1-CB 3.28Å
62T88.1Confident88.2Confident51 Ų5181 Ų8131%0.31345%0.45SS..EExtended strand (participates in β ladder)trans-111.6159.9165.257.30000109.4K54 M56K54-T62 PolarHBondContact N-O 2.89Å; K54-T62 PolarHBondContact O-N 2.86Å; K54-T62 PolarHBondContact O-OG1 3.29Å; M56-T62 HydrophobicContact CG-CG2 3.81Å; M56-T62 HydrophobicContact SD-CG2 4.38Å
63F90.1Very high88.1Confident71 Ų7178.2 Ų78.231%0.31144%0.438SS..EExtended strand (participates in β ladder)trans-117.1141.2177.3-70.8-90.3000110.1V10 L51 E52 E53V10-F63 HydrophobicContact CG2-CD2 3.84Å; V10-F63 HydrophobicContact CG2-CE2 4.06Å; L51-F63 HydrophobicContact CB-CD1 4.41Å; E52-F63 WeakPolarHBondContact O-CA 3.37Å; E53-F63 HydrophobicContact CB-CD1 4.1Å; E53-F63 HydrophobicContact CB-CE1 3.64Å; E53-F63 HydrophobicContact CB-CZ 4.17Å; E53-F63 HydrophobicContact CG-CD1 4.47Å; E53-F63 HydrophobicContact CG-CE1 3.85Å; E53-F63 HydrophobicContact CG-CE2 4.48Å; E53-F63 HydrophobicContact CG-CZ 3.85Å
64V91.8Very high88.2Confident73 Ų7374.5 Ų74.544%0.44244%0.436SS..EExtended strand (participates in β ladder)trans-110.1122.1167.1179.80000107.1E52E52-V64 PolarHBondContact N-O 3.06Å; E52-V64 PolarHBondContact O-N 2.89Å
65A94.3Very high88.2Confident12 Ų1271.7 Ų71.710%0.09942%0.424CS..EExtended strand (participates in β ladder)trans-97.8127171.900000110.9A12 V13 L17 F49 L50 L51A12-A65 WeakPolarHBondContact O-CB 3.33Å; V13-A65 HydrophobicContact CB-CB 4.37Å; V13-A65 HydrophobicContact CG1-CB 4.49Å; V13-A65 HydrophobicContact CG2-CB 3.71Å; L17-A65 HydrophobicContact CD1-CB 4.29Å; F49-A65 HydrophobicContact CB-CB 4.45Å; F49-A65 HydrophobicContact CD1-CB 4.31Å; L50-A65 WeakPolarHBondContact O-CA 3.47Å; L51-A65 HydrophobicContact CD2-CB 3.69Å
66T94.6Very high88.4Confident62 Ų6277.5 Ų77.538%0.3843%0.433SS..EExtended strand (participates in β ladder)trans-112.1116.6172.1-57.10000109.3F49 L50 Q68F49-T66 WeakPolarHBondContact CA-O 3.42Å; L50-T66 PolarHBondContact N-O 2.86Å; L50-T66 PolarHBondContact O-N 3.34Å; T66-Q68 PolarHBondContact O-N 2.91Å; T66-Q68 PolarHBondContact O-NE2 3.25Å
67K94.2Very high89.1Confident74 Ų7479 Ų7932%0.32244%0.438SS..EExtended strand (participates in β ladder)trans-61.4125.1174-167.5175.1-165154.50109.5L17 Y47 F49L17-K67 PolarHBondContact O-NZ 2.94Å; L17-K67 VanDerWaalsContact O-NZ 3.13Å; Y47-K67 VanDerWaalsContact CE1-NZ 3.34Å; F49-K67 VanDerWaalsContact CD1-CA 3.48Å; F49-K67 HydrophobicContact CD1-CB 3.87Å; F49-K67 HydrophobicContact CD1-CG 4.3Å; F49-K67 HydrophobicContact CE1-CB 3.6Å; F49-K67 HydrophobicContact CE1-CD 4.28Å; F49-K67 HydrophobicContact CE1-CG 3.78Å; F49-K67 HydrophobicContact CZ-CG 4.21Å
68Q94.6Very high90Very high92 Ų9274.2 Ų74.243%0.4341%0.407SS..EExtended strand (participates in β ladder)trans-101-85.3179-59.7-60.9-52.200109H48 L50 T66H48-Q68 WeakPolarHBondContact ND1-CB 3.5Å; H48-Q68 PolarHBondContact O-N 3.26Å; L50-Q68 HydrophobicContact CB-CG 3.99Å; T66-Q68 PolarHBondContact O-N 2.91Å; T66-Q68 PolarHBondContact O-NE2 3.25Å
69L94Very high91Very high67 Ų6769 Ų6935%0.35137%0.374SS..EExtended strand (participates in β ladder)trans-114.5163.9-175.4-59.7175.9000111H48 L105 L107H48-L69 HydrophobicContact CB-CB 4.37Å; H48-L69 PolarHBondContact N-O 3.15Å; L69-L105 WeakPolarHBondContact CD1-O 3.44Å; L69-L107 HydrophobicContact CB-CB 3.96Å; L69-L107 HydrophobicContact CD1-CB 4.1Å
70H94.1Very high92.1Very high103 Ų10369 Ų6948%0.47736%0.357SS..EExtended strand (participates in β ladder)trans-153.2150.8167.165.8-85.8000110.9F45 I46 Y47F45-H70 AromaticContact CD1-CD2 4Å; F45-H70 AromaticContact CE1-CD2 3.81Å; I46-H70 CarbonylContact O-C 3.54Å; I46-H70 WeakPolarHBondContact O-CA 3.43Å; Y47-H70 HydrophobicContact CD1-CB 3.41Å; Y47-H70 VanDerWaalsContact CD1-CB 3.41Å; Y47-H70 HydrophobicContact CE1-CB 3.68Å; Y47-H70 HydrophobicContact CG-CB 4.31Å
71R94Very high93.2Very high97 Ų9772.2 Ų72.237%0.36637%0.368SS..EExtended strand (participates in β ladder)trans-143.8136.3177.2169.1179-66.6163.419.1111.5F45 I46 L73 N106 L107F45-R71 CarbonylContact C-O 3.44Å; F45-R71 VanDerWaalsContact CA-O 3.31Å; F45-R71 WeakPolarHBondContact CA-O 3.26Å; I46-R71 PolarHBondContact N-O 2.65Å; I46-R71 PolarHBondContact O-N 2.99Å; R71-L73 HydrophobicContact CG-CD2 4.5Å; R71-N106 PolarHBondContact NH2-O 3.43Å; R71-L107 HydrophobicContact CB-CD2 4.39Å; R71-L107 WeakPolarHBondContact CB-OXT 3.18Å; R71-L107 WeakPolarHBondContact CD-OXT 3.38Å; R71-L107 WeakPolarHBondContact CG-OXT 3.44Å; R71-L107 PolarHBondContact NE-O 2.77Å; R71-L107 PolarHBondContact NE-OXT 2.79Å; R71-L107 PolarHBondContact NH2-O 2.94Å; R71-L107 PolarHBondContact NH2-OXT 3.5Å
72H94.5Very high94Very high85 Ų8571.3 Ų71.339%0.39436%0.36SS..EExtended strand (participates in β ladder)trans-84.9130.8163.6-173.6-98.2000109.1D43 C44 F45 G74 F75D43-H72 PolarHBondContact O-CD2 2.78Å; D43-H72 PolarHBondContact O-NE2 3.23Å; C44-H72 WeakPolarHBondContact O-CA 3.2Å; F45-H72 HydrophobicContact CD1-CB 4.06Å; F45-H72 HydrophobicContact CD2-CB 4.38Å; F45-H72 AromaticContact CD2-CD2 3.66Å; F45-H72 HydrophobicContact CE1-CB 3.68Å; F45-H72 HydrophobicContact CE2-CB 4.04Å; F45-H72 AromaticContact CE2-CD2 3.41Å; F45-H72 VanDerWaalsContact CE2-CD2 3.41Å; F45-H72 WeakPolarHBondContact CE2-CD2 3.49Å; F45-H72 HydrophobicContact CG-CB 4.39Å; F45-H72 HydrophobicContact CZ-CB 3.67Å; F45-H72 AromaticContact CZ-CD2 3.93Å; H72-G74 VanDerWaalsContact C-N 3.26Å; H72-G74 PolarHBondContact CE1-N 2.99Å; H72-G74 WeakPolarHBondContact ND1-CA 3.41Å; H72-G74 PolarHBondContact ND1-N 3.42Å; H72-G74 PolarHBondContact O-N 2.9Å; H72-F75 PolarHBondContact CE1-O 3.25Å; H72-F75 VanDerWaalsContact CE1-O 3.31Å; H72-F75 PolarHBondContact NE2-O 3.34Å
73L93.5Very high94.5Very high30 Ų3071.6 Ų71.616%0.15736%0.363CS..  trans-80.9-5.6-176.6-54.9169.6000113.8C44 I46 R71 F75 V79 V93 C95 V102C44-L73 PolarHBondContact O-N 2.82Å; I46-L73 HydrophobicContact CD1-CD1 4.16Å; I46-L73 HydrophobicContact CD1-CD2 3.82Å; I46-L73 HydrophobicContact CD1-CG 4.31Å; I46-L73 HydrophobicContact CG1-CD1 4.31Å; I46-L73 HydrophobicContact CG1-CD2 4.37Å; I46-L73 HydrophobicContact CG1-CG 4.43Å; R71-L73 HydrophobicContact CG-CD2 4.5Å; L73-F75 HydrophobicContact CB-CD2 3.81Å; L73-F75 HydrophobicContact CB-CE2 4.14Å; L73-V79 HydrophobicContact CD1-CG2 3.77Å; L73-V93 HydrophobicContact CD1-CG1 3.56Å; L73-C95 HydrophobicContact CD1-CB 3.96Å; L73-V102 HydrophobicContact CD2-CG1 4.45Å
74G92.1Very high94.9Very high59 Ų5969.3 Ų69.361%0.60836%0.358SS*.SBendtrans89.9-2178.100000114.5H72H72-G74 VanDerWaalsContact C-N 3.26Å; H72-G74 PolarHBondContact CE1-N 2.99Å; H72-G74 WeakPolarHBondContact ND1-CA 3.41Å; H72-G74 PolarHBondContact ND1-N 3.42Å; H72-G74 PolarHBondContact O-N 2.9Å
75F90.4Very high95.1Very high68 Ų6867 Ų6730%0.29835%0.346SS..  trans-93.4173.6174.6-50.8-81.2000111.6C44 H72 L73 D96C44-F75 WeakPolarHBondContact CB-O 3.29Å; C44-F75 VanDerWaalsContact SG-CB 3.59Å; H72-F75 PolarHBondContact CE1-O 3.25Å; H72-F75 VanDerWaalsContact CE1-O 3.31Å; H72-F75 PolarHBondContact NE2-O 3.34Å; L73-F75 HydrophobicContact CB-CD2 3.81Å; L73-F75 HydrophobicContact CB-CE2 4.14Å; F75-D96 HydrophobicContact CB-CB 4.29Å; F75-D96 HydrophobicContact CD1-CB 3.87Å; F75-D96 WeakPolarHBondContact CD1-OD2 2.82Å; F75-D96 HydrophobicContact CE1-CB 4.39Å; F75-D96 HydrophobicContact CG-CB 4.03Å
76K89.3Confident95.1Very high208 Ų20869.7 Ų69.790%0.90436%0.364SS*.SBendtrans-114.132.3172.5-63.7-175.9178.2-178.80111.2
77K95.2Very high95.1Very high108 Ų10871.4 Ų71.447%0.4739%0.385SS..SBendtrans-126.1153.8-176.2-66.5-63.5-171.61740110.2C44 D96C44-K77 WeakPolarHBondContact CA-O 3.34Å; C44-K77 WeakPolarHBondContact CB-O 3.37Å; K77-D96 HydrophobicContact CB-CB 4.11Å; K77-D96 HydrophobicContact CG-CB 3.99Å; K77-D96 WeakPolarHBondContact CG-OD1 3.42Å
78P97.2Very high95.2Very high37 Ų3773.5 Ų73.524%0.2440%0.399CS..  trans-55.4149.7173.6-28.237.6000113.1E28 N42 N80 C95E28-P78 HydrophobicContact CG-CB 4.07Å; N42-P78 HydrophobicContact CB-CG 4.43Å; P78-N80 PolarHBondContact O-N 3.25Å; P78-N80 PolarHBondContact O-OD1 3.01Å; P78-C95 PolarHBondContact O-SG 2.99Å
79V97.9Very high95.2Very high0 Ų073 Ų730%040%0.399CS..EExtended strand (participates in β ladder)trans-79103.3158.7-176.20000107.3E28 C29 T41 F45 I46 L73 L82 V93E28-V79 VanDerWaalsContact CB-O 3.24Å; E28-V79 WeakPolarHBondContact CB-O 3.4Å; C29-V79 PolarHBondContact SG-O 2.54Å; T41-V79 PolarHBondContact O-N 3.27Å; F45-V79 WeakPolarHBondContact O-CG2 3.15Å; I46-V79 HydrophobicContact CG1-CG1 4.42Å; I46-V79 HydrophobicContact CG1-CG2 4.21Å; L73-V79 HydrophobicContact CD1-CG2 3.77Å; V79-L82 HydrophobicContact CG1-CD2 3.7Å; V79-L82 HydrophobicContact CG1-CG 3.98Å; V79-V93 HydrophobicContact CG1-CG1 3.91Å
80N98.1Very high95.3Very high77 Ų7774.1 Ų74.141%0.41240%0.399SS..EExtended strand (participates in β ladder)trans-79-34-171.6-65.5107.3000113.1P78 L94P78-N80 PolarHBondContact O-N 3.25Å; P78-N80 PolarHBondContact O-OD1 3.01Å; N80-L94 HydrophobicContact CB-CD2 4.07Å; N80-L94 HydrophobicContact CB-CG 4.11Å; N80-L94 PolarHBondContact N-O 3.36Å
81E98.4Very high95.5Very high115 Ų11569.2 Ų69.254%0.53738%0.376SS..EExtended strand (participates in β ladder)trans-151.7144.5-178-162173.3173.100110.9L94E81-L94 HydrophobicContact CB-CB 3.82Å; E81-L94 HydrophobicContact CB-CD2 4.11Å; E81-L94 PolarHBondContact O-N 2.84Å
82L98.5Very high95.7Very high8 Ų867.4 Ų67.44%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-126136.5172.2-67.4177.9000108.2E31 I46 V79 L91 L92 V93E31-L82 HydrophobicContact CB-CB 3.66Å; I46-L82 HydrophobicContact CD1-CD2 3.96Å; I46-L82 HydrophobicContact CG1-CD2 4.31Å; I46-L82 HydrophobicContact CG2-CD1 4.21Å; V79-L82 HydrophobicContact CG1-CD2 3.7Å; V79-L82 HydrophobicContact CG1-CG 3.98Å; L82-L91 HydrophobicContact CB-CD1 4.31Å; L82-L91 HydrophobicContact CD1-CD2 4.44Å; L82-L91 HydrophobicContact CD2-CD2 3.85Å; L82-L91 HydrophobicContact CD2-CG 4.13Å; L82-L92 WeakPolarHBondContact CA-O 3.45Å; L82-V93 HydrophobicContact CD2-CB 4.24Å; L82-V93 HydrophobicContact CD2-CG1 4.05Å; L82-V93 HydrophobicContact CD2-CG2 3.84Å
83C98.3Very high95.9Very high58 Ų5863.4 Ų63.439%0.39236%0.355SS..EExtended strand (participates in β ladder)trans-140.5127.1176.3-1790000110.5A85 L92C83-A85 PolarHBondContact O-N 2.87Å; C83-L92 HydrophobicContact CB-CB 4.12Å; C83-L92 PolarHBondContact N-O 2.85Å; C83-L92 PolarHBondContact O-N 3.31Å
84A97.8Very high96.1Very high23 Ų2364.5 Ų64.519%0.1936%0.36CS..EExtended strand (participates in β ladder)trans-82.4111.6-176.300000111.4E31 C33 S86 M104E31-A84 HydrophobicContact CG-CB 3.81Å; E31-A84 WeakPolarHBondContact OE1-CB 3.37Å; E31-A84 PolarHBondContact OE1-N 3.27Å; C33-A84 HydrophobicContact CB-CB 3.93Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.8Å; A84-M104 HydrophobicContact CB-CE 3.42Å; A84-M104 VanDerWaalsContact CB-CE 3.42Å
85A96.8Very high96.3Very high24 Ų2461.7 Ų61.720%0.19833%0.331CS..EExtended strand (participates in β ladder)trans-89.968.1162.100000109.3C83 A87 L88 N89 R90 L92C83-A85 PolarHBondContact O-N 2.87Å; A85-A87 VanDerWaalsContact C-N 3.31Å; A85-A87 PolarHBondContact O-N 3.38Å; A85-L88 HydrophobicContact CB-CB 4.4Å; A85-L88 HydrophobicContact CB-CD1 4.32Å; A85-L88 PolarHBondContact O-N 3.3Å; A85-N89 PolarHBondContact O-N 3.3Å; A85-R90 CarbonylContact C-O 3.56Å; A85-R90 WeakPolarHBondContact CA-O 3.4Å; A85-R90 HydrophobicContact CB-CB 4.28Å; A85-R90 PolarHBondContact N-O 3.16Å; A85-R90 PolarHBondContact O-N 3.13Å; A85-L92 HydrophobicContact CB-CD1 3.55Å
86S94.1Very high96.5Very high68 Ų6861.9 Ų61.948%0.47634%0.336SS..G310 helixtrans-56.1-39.7-170.159.50000113.6C33 A84 L88 N89C33-S86 WeakPolarHBondContact SG-CB 3.46Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.8Å; S86-L88 PolarHBondContact O-N 3.25Å; S86-L88 VanDerWaalsContact O-N 3.14Å; S86-N89 PolarHBondContact O-N 2.87Å; S86-N89 VanDerWaalsContact O-N 3.13Å; S86-N89 PolarHBondContact O-OD1 3.05Å
87A95Very high96.7Very high99 Ų9959.7 Ų59.782%0.81833%0.334SS*.G310 helixtrans-62.8-19.8176.600000113.9A85A85-A87 VanDerWaalsContact C-N 3.31Å; A85-A87 PolarHBondContact O-N 3.38Å
88L95.3Very high96.7Very high118 Ų11856.2 Ų56.262%0.61832%0.323SS*.G310 helixtrans-103.5-0.6-179.8-58-179.6000112.8A85 S86 R90A85-L88 HydrophobicContact CB-CB 4.4Å; A85-L88 HydrophobicContact CB-CD1 4.32Å; A85-L88 PolarHBondContact O-N 3.3Å; S86-L88 PolarHBondContact O-N 3.25Å; S86-L88 VanDerWaalsContact O-N 3.14Å; L88-R90 HydrophobicContact CB-CB 4.24Å; L88-R90 HydrophobicContact CB-CG 4.03Å; L88-R90 PolarHBondContact O-N 3.4Å; L88-R90 PolarHBondContact O-NH1 3.09Å; L88-R90 VanDerWaalsContact O-NH1 3.09Å
89N94.9Very high96.8Very high81 Ų8160.7 Ų60.743%0.43334%0.344SS..THydrogen-bonded Turntrans49.144.3-166.7-64-29.3000111.2A85 S86 M104A85-N89 PolarHBondContact O-N 3.3Å; S86-N89 PolarHBondContact O-N 2.87Å; S86-N89 VanDerWaalsContact O-N 3.13Å; S86-N89 PolarHBondContact O-OD1 3.05Å; N89-M104 PolarHBondContact O-N 3.27Å
90R96.8Very high96.7Very high90 Ų9063.1 Ų63.134%0.3436%0.359SS..EExtended strand (participates in β ladder)trans-127.7143.5179.1-67.2-61.1-178.3-78.2-4.5111.4A85 L88 L101 V102 M104A85-R90 CarbonylContact C-O 3.56Å; A85-R90 WeakPolarHBondContact CA-O 3.4Å; A85-R90 HydrophobicContact CB-CB 4.28Å; A85-R90 PolarHBondContact N-O 3.16Å; A85-R90 PolarHBondContact O-N 3.13Å; L88-R90 HydrophobicContact CB-CB 4.24Å; L88-R90 HydrophobicContact CB-CG 4.03Å; L88-R90 PolarHBondContact O-N 3.4Å; L88-R90 PolarHBondContact O-NH1 3.09Å; L88-R90 VanDerWaalsContact O-NH1 3.09Å; R90-L101 HydrophobicContact CB-CD2 3.82Å; R90-L101 HydrophobicContact CG-CD2 4.32Å; R90-V102 CarbonylContact C-O 3.55Å; R90-V102 VanDerWaalsContact CA-O 3.28Å; R90-V102 WeakPolarHBondContact CA-O 3.38Å; R90-V102 WeakPolarHBondContact CD-O 3.41Å; R90-M104 WeakPolarHBondContact O-CE 3.31Å
91L97.9Very high96.5Very high0 Ų064.5 Ų64.50%037%0.365CS..EExtended strand (participates in β ladder)trans-108.8121.4168-171.869.1000107.6E31 Y38 I46 L82 V93 L101 V102 M104E31-L91 HydrophobicContact CG-CD1 4.16Å; Y38-L91 HydrophobicContact CD1-CD2 3.99Å; Y38-L91 HydrophobicContact CD2-CD1 3.9Å; Y38-L91 HydrophobicContact CD2-CD2 4.32Å; Y38-L91 HydrophobicContact CE2-CD1 4.43Å; Y38-L91 HydrophobicContact CG-CD1 4.19Å; Y38-L91 HydrophobicContact CG-CD2 3.81Å; I46-L91 HydrophobicContact CD1-CD2 4.45Å; I46-L91 HydrophobicContact CG2-CD2 4.11Å; L82-L91 HydrophobicContact CB-CD1 4.31Å; L82-L91 HydrophobicContact CD1-CD2 4.44Å; L82-L91 HydrophobicContact CD2-CD2 3.85Å; L82-L91 HydrophobicContact CD2-CG 4.13Å; L91-V93 HydrophobicContact CG-CG2 4.41Å; L91-L101 WeakPolarHBondContact O-CA 3.4Å; L91-V102 HydrophobicContact CB-CG2 3.76Å; L91-V102 HydrophobicContact CD2-CG2 4.23Å; L91-V102 HydrophobicContact CG-CG2 4.45Å; L91-V102 PolarHBondContact N-O 3.33Å; L91-V102 PolarHBondContact O-N 3.45Å; L91-M104 HydrophobicContact CB-CE 4.09Å; L91-M104 HydrophobicContact CB-CG 4.06Å; L91-M104 HydrophobicContact CD1-CE 3.93Å
92L98Very high96.4Very high59 Ų5959.6 Ų59.631%0.30934%0.343SS..EExtended strand (participates in β ladder)trans-75.8137169-75.874.7000107.9L82 C83 A85 T100 L101L82-L92 WeakPolarHBondContact CA-O 3.45Å; C83-L92 HydrophobicContact CB-CB 4.12Å; C83-L92 PolarHBondContact N-O 2.85Å; C83-L92 PolarHBondContact O-N 3.31Å; A85-L92 HydrophobicContact CB-CD1 3.55Å; L92-T100 WeakPolarHBondContact CA-O 3.44Å; L92-L101 HydrophobicContact CB-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CD2 3.51Å; L92-L101 HydrophobicContact CG-CD2 3.61Å
93V98Very high96.2Very high1 Ų161.5 Ų61.51%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-132.7118.5-175.1-174.90000108.7I46 L73 V79 L82 L91 C95 I99 T100 V102I46-V93 HydrophobicContact CD1-CB 4.41Å; I46-V93 HydrophobicContact CD1-CG1 3.89Å; I46-V93 HydrophobicContact CD1-CG2 3.58Å; L73-V93 HydrophobicContact CD1-CG1 3.56Å; V79-V93 HydrophobicContact CG1-CG1 3.91Å; L82-V93 HydrophobicContact CD2-CB 4.24Å; L82-V93 HydrophobicContact CD2-CG1 4.05Å; L82-V93 HydrophobicContact CD2-CG2 3.84Å; L91-V93 HydrophobicContact CG-CG2 4.41Å; V93-C95 HydrophobicContact CG1-CB 4.34Å; V93-I99 WeakPolarHBondContact O-CA 3.45Å; V93-T100 PolarHBondContact N-O 3.32Å; V93-T100 PolarHBondContact O-N 3.43Å; V93-V102 HydrophobicContact CG2-CG1 4.27Å; V93-V102 HydrophobicContact CG2-CG2 3.89Å
94L98.1Very high96Very high53 Ų5359.2 Ų59.228%0.27734%0.337SS..EExtended strand (participates in β ladder)trans-94112.9168.8179.663.2000109.1N80 E81 S98 I99N80-L94 HydrophobicContact CB-CD2 4.07Å; N80-L94 HydrophobicContact CB-CG 4.11Å; N80-L94 PolarHBondContact N-O 3.36Å; E81-L94 HydrophobicContact CB-CB 3.82Å; E81-L94 HydrophobicContact CB-CD2 4.11Å; E81-L94 PolarHBondContact O-N 2.84Å; L94-S98 WeakPolarHBondContact CA-O 3.03Å; L94-I99 HydrophobicContact CD1-CG1 3.9Å
95C97.3Very high95.4Very high0 Ų063.5 Ų63.50%036%0.357CS..EExtended strand (participates in β ladder)trans-151.1139.8177.2-174.30000110C44 L73 P78 V93 N97 S98C44-C95 VanDerWaalsContact SG-SG 3.67Å; L73-C95 HydrophobicContact CD1-CB 3.96Å; P78-C95 PolarHBondContact O-SG 2.99Å; V93-C95 HydrophobicContact CG1-CB 4.34Å; C95-N97 VanDerWaalsContact C-N 3.28Å; C95-N97 PolarHBondContact O-N 3.07Å; C95-S98 PolarHBondContact N-O 3.31Å; C95-S98 PolarHBondContact O-N 2.64Å; C95-S98 VanDerWaalsContact O-O 3.1Å; C95-S98 PolarHBondContact O-OG 3.49Å
96D94.2Very high94.8Very high72 Ų7267.8 Ų67.839%0.38538%0.376SS..THydrogen-bonded Turntrans50.244.9180-162.731000113.5F75 K77 S98F75-D96 HydrophobicContact CB-CB 4.29Å; F75-D96 HydrophobicContact CD1-CB 3.87Å; F75-D96 WeakPolarHBondContact CD1-OD2 2.82Å; F75-D96 HydrophobicContact CE1-CB 4.39Å; F75-D96 HydrophobicContact CG-CB 4.03Å; K77-D96 HydrophobicContact CB-CB 4.11Å; K77-D96 HydrophobicContact CG-CB 3.99Å; K77-D96 WeakPolarHBondContact CG-OD1 3.42Å; D96-S98 PolarHBondContact O-N 3.37Å
97N93.3Very high94.3Very high162 Ų16265.2 Ų65.287%0.86636%0.357SS*.THydrogen-bonded Turntrans57.419.7-176.5-57.2-11.5000114.6C95C95-N97 VanDerWaalsContact C-N 3.28Å; C95-N97 PolarHBondContact O-N 3.07Å
98S95.9Very high94.3Very high36 Ų3663.6 Ų63.625%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-118.8143.1176.775.90000110.8L94 C95 D96L94-S98 WeakPolarHBondContact CA-O 3.03Å; C95-S98 PolarHBondContact N-O 3.31Å; C95-S98 PolarHBondContact O-N 2.64Å; C95-S98 VanDerWaalsContact O-O 3.1Å; C95-S98 PolarHBondContact O-OG 3.49Å; D96-S98 PolarHBondContact O-N 3.37Å
99I97.3Very high94.2Very high130 Ų13060.7 Ų60.767%0.66732%0.319SS*.EExtended strand (participates in β ladder)trans-103.5118.7171.8-59.8172.6000107.4V93 L94V93-I99 WeakPolarHBondContact O-CA 3.45Å; L94-I99 HydrophobicContact CD1-CG1 3.9Å
100T96.1Very high94.2Very high51 Ų5159.6 Ų59.631%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-121.4161.117961.90000110.9L92 V93L92-T100 WeakPolarHBondContact CA-O 3.44Å; V93-T100 PolarHBondContact N-O 3.32Å; V93-T100 PolarHBondContact O-N 3.43Å
101L95.6Very high94Very high106 Ų10657.8 Ų57.856%0.55531%0.311SS*.EExtended strand (participates in β ladder)trans-116.1122.8176.2-74.3163.2000108.9R90 L91 L92R90-L101 HydrophobicContact CB-CD2 3.82Å; R90-L101 HydrophobicContact CG-CD2 4.32Å; L91-L101 WeakPolarHBondContact O-CA 3.4Å; L92-L101 HydrophobicContact CB-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CD2 3.51Å; L92-L101 HydrophobicContact CG-CD2 3.61Å
102V95.1Very high93.8Very high12 Ų1261.4 Ų61.47%0.07333%0.331CS..EExtended strand (participates in β ladder)trans-110.6152.2171.7-57.40000110.7I46 L73 R90 L91 V93 L107I46-V102 HydrophobicContact CD1-CG2 4.42Å; L73-V102 HydrophobicContact CD2-CG1 4.45Å; R90-V102 CarbonylContact C-O 3.55Å; R90-V102 VanDerWaalsContact CA-O 3.28Å; R90-V102 WeakPolarHBondContact CA-O 3.38Å; R90-V102 WeakPolarHBondContact CD-O 3.41Å; L91-V102 HydrophobicContact CB-CG2 3.76Å; L91-V102 HydrophobicContact CD2-CG2 4.23Å; L91-V102 HydrophobicContact CG-CG2 4.45Å; L91-V102 PolarHBondContact N-O 3.33Å; L91-V102 PolarHBondContact O-N 3.45Å; V93-V102 HydrophobicContact CG2-CG1 4.27Å; V93-V102 HydrophobicContact CG2-CG2 3.89Å; V102-L107 HydrophobicContact CG2-CD2 4.36Å
103N94.6Very high93.5Very high49 Ų4961.5 Ų61.526%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-78.1127175.5-170.8-39.7000109.5L105 N106 L107N103-L105 VanDerWaalsContact C-N 3.26Å; N103-L105 PolarHBondContact O-N 3.03Å; N103-L105 WeakPolarHBondContact OD1-CB 3.5Å; N103-L105 PolarHBondContact OD1-N 3.39Å; N103-N106 CarbonylContact O-C 3.53Å; N103-N106 PolarHBondContact O-N 2.94Å; N103-L107 PolarHBondContact O-N 2.71Å
104M93.5Very high93.2Very high9 Ų965.9 Ų65.94%0.04436%0.355CS..SBendtrans-64.7-26.2-180-77.7172165.300114.2C33 Y38 A84 N89 R90 L91C33-M104 HydrophobicContact CB-CE 4.35Å; Y38-M104 HydrophobicContact CE2-CE 4.02Å; Y38-M104 HydrophobicContact CE2-CG 4.31Å; Y38-M104 HydrophobicContact CE2-SD 4.48Å; Y38-M104 WeakPolarHBondContact OH-CB 3.3Å; A84-M104 HydrophobicContact CB-CE 3.42Å; A84-M104 VanDerWaalsContact CB-CE 3.42Å; N89-M104 PolarHBondContact O-N 3.27Å; R90-M104 WeakPolarHBondContact O-CE 3.31Å; L91-M104 HydrophobicContact CB-CE 4.09Å; L91-M104 HydrophobicContact CB-CG 4.06Å; L91-M104 HydrophobicContact CD1-CE 3.93Å
105L85.3Confident92.8Very high114 Ų11466.8 Ų66.860%0.59736%0.361SS*.SBendtrans-84.6-27.2-177-59.7176.6000113L69 N103L69-L105 WeakPolarHBondContact CD1-O 3.44Å; N103-L105 VanDerWaalsContact C-N 3.26Å; N103-L105 PolarHBondContact O-N 3.03Å; N103-L105 WeakPolarHBondContact OD1-CB 3.5Å; N103-L105 PolarHBondContact OD1-N 3.39Å
106N83.8Confident92.4Very high113 Ų11372.4 Ų72.460%0.60439%0.391SS*.  trans-130.666.1-177.4-67.5-36.1000107.6R71 N103R71-N106 PolarHBondContact NH2-O 3.43Å; N103-N106 CarbonylContact O-C 3.53Å; N103-N106 PolarHBondContact O-N 2.94Å
107L84.5Confident92.3Very high15 Ų1572.5 Ų72.58%0.07939%0.392CS..  trans-66.60-176.7-127.4152.4000113Y38 I46 H48 L69 R71 V102 N103Y38-L107 HydrophobicContact CD1-CD1 3.4Å; Y38-L107 HydrophobicContact CE1-CD1 3.26Å; I46-L107 HydrophobicContact CB-CD2 3.7Å; I46-L107 HydrophobicContact CD1-CD2 4.23Å; I46-L107 HydrophobicContact CG2-CD1 4.36Å; I46-L107 HydrophobicContact CG2-CD2 3.57Å; H48-L107 HydrophobicContact CB-CD1 3.91Å; L69-L107 HydrophobicContact CB-CB 3.96Å; L69-L107 HydrophobicContact CD1-CB 4.1Å; R71-L107 HydrophobicContact CB-CD2 4.39Å; R71-L107 WeakPolarHBondContact CB-OXT 3.18Å; R71-L107 WeakPolarHBondContact CD-OXT 3.38Å; R71-L107 WeakPolarHBondContact CG-OXT 3.44Å; R71-L107 PolarHBondContact NE-O 2.77Å; R71-L107 PolarHBondContact NE-OXT 2.79Å; R71-L107 PolarHBondContact NH2-O 2.94Å; R71-L107 PolarHBondContact NH2-OXT 3.5Å; V102-L107 HydrophobicContact CG2-CD2 4.36Å; N103-L107 PolarHBondContact O-N 2.71Å

Retrieved 107 of 107 residues in 28.4 ms (Link to these results)