A0A077ZL61_TRITR Loading...

Small ribosomal subunit protein uS17

One of the primary rRNA binding proteins, it binds specifically to the 5'-end of 16S ribosomal RNA.

AlphaFold DB , UniProt , Accession A0A077ZL61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 84 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
1M58Low87.2Confident241 Ų241120 Ų120100%1.18759%0.585SS**  0110.40-64.8175.9-174.200106.3D3M1-D3 PolarHBondContact O-N 2.96Å
2T69.9Low88Confident143 Ų143110.2 Ų110.288%0.87754%0.538SS*.  trans-70.5112.4176.2-52.40000107.1K4T2-K4 PolarHBondContact O-N 3.42Å; T2-K4 VanDerWaalsContact O-N 3.15Å
3D76.2Confident88.7Confident145 Ų145106.6 Ų106.678%0.77553%0.526SS*.  trans-60.5121.3178.3-155.2-6.1000108.1M1 I5M1-D3 PolarHBondContact O-N 2.96Å; D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 2.92Å
4K85.3Confident89.3Confident197 Ų197100.9 Ų100.986%0.85750%0.502SS*.  trans-79.489.3-172.2-172.9177.9-179.9-179.80108T2 R6T2-K4 PolarHBondContact O-N 3.42Å; T2-K4 VanDerWaalsContact O-N 3.15Å; K4-R6 PolarHBondContact O-N 3.28Å
5I90.9Very high89.6Confident81 Ų8198.3 Ų98.342%0.41549%0.491SS..  trans-60.6128.5177.8-54.5177000109.1D3 T7 R62 E63D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 2.92Å; I5-T7 PolarHBondContact O-N 2.86Å; I5-R62 HydrophobicContact CG2-CB 3.91Å; I5-R62 HydrophobicContact CG2-CG 4.42Å; I5-E63 HydrophobicContact CG2-CB 4.43Å; I5-E63 WeakPolarHBondContact CG2-O 3.17Å
6R94Very high89.9Confident140 Ų140103.8 Ų103.853%0.52851%0.51SS..  trans-67.3125.8176.9-174.5-175-180-176.92.8110.1K4 R62 E63 W73K4-R6 PolarHBondContact O-N 3.28Å; R6-R62 WeakPolarHBondContact O-CA 3.23Å; R6-E63 HydrophobicContact CB-CG 4.15Å; R6-E63 VanDerWaalsContact CD-OE1 3.26Å; R6-E63 WeakPolarHBondContact CD-OE1 3.37Å; R6-E63 IonicContact NH1-OE1 3.47Å; R6-E63 PolarHBondContact NH1-OE1 3.44Å; R6-E63 PolarHBondContact O-N 3.35Å; R6-E63 VanDerWaalsContact O-N 3.08Å; R6-W73 HydrophobicContact CG-CH2 4.29Å
7T96Very high90.2Very high73 Ų73101.8 Ų101.845%0.44850%0.501SS..EExtended strand (participates in β ladder)trans-108.7147.4171.258.60000110.5I5 I61 R62I5-T7 PolarHBondContact O-N 2.86Å; T7-I61 CarbonylContact C-O 3.51Å; T7-I61 VanDerWaalsContact CA-O 3.23Å; T7-I61 WeakPolarHBondContact CA-O 3.34Å; T7-R62 HydrophobicContact CG2-CB 4.07Å
8L96.7Very high90.4Very high38 Ų38104.7 Ų104.720%0.19951%0.513CS..EExtended strand (participates in β ladder)trans-136154.6173.4-66.1177.1000109I25 L44 E60 I61 W73L8-I25 HydrophobicContact CB-CD1 3.98Å; L8-I25 HydrophobicContact CD1-CG1 4.23Å; L8-I25 HydrophobicContact CD1-CG2 4.39Å; L8-L44 HydrophobicContact CD1-CD1 4.12Å; L8-E60 WeakPolarHBondContact O-CA 3.4Å; L8-I61 HydrophobicContact CB-CD1 4.43Å; L8-I61 HydrophobicContact CB-CG1 4.01Å; L8-I61 PolarHBondContact N-O 2.82Å; L8-I61 WeakPolarHBondContact O-CG1 3.35Å; L8-I61 PolarHBondContact O-N 2.91Å; L8-W73 HydrophobicContact CB-CH2 4.41Å; L8-W73 HydrophobicContact CB-CZ3 4.11Å; L8-W73 HydrophobicContact CD1-CH2 3.25Å; L8-W73 HydrophobicContact CD1-CZ2 3.81Å; L8-W73 HydrophobicContact CD1-CZ3 3.77Å; L8-W73 HydrophobicContact CG-CH2 3.65Å; L8-W73 HydrophobicContact CG-CZ3 3.82Å
9Q97.6Very high90.7Very high102 Ų102103.8 Ų103.848%0.47751%0.506SS..EExtended strand (participates in β ladder)trans-118.2143.7172-67.5179.95.200109.6I25 V59 E60Q9-I25 WeakPolarHBondContact O-CD1 3.38Å; Q9-V59 VanDerWaalsContact CA-O 3.31Å; Q9-V59 WeakPolarHBondContact CA-O 3.32Å; Q9-E60 HydrophobicContact CG-CB 4.02Å; Q9-E60 HydrophobicContact CG-CG 3.99Å; Q9-E60 PolarHBondContact NE2-OE1 2.84Å
10G96.9Very high91Very high11 Ų1199.3 Ų99.311%0.11349%0.485CS..EExtended strand (participates in β ladder)trans-170.8-177.9176.400000112.9A24 V58 V59G10-A24 WeakPolarHBondContact CA-O 3.35Å; G10-V58 WeakPolarHBondContact O-CA 3.37Å; G10-V59 PolarHBondContact N-O 3.22Å; G10-V59 PolarHBondContact O-N 2.83Å
11R97.5Very high91.2Very high149 Ų14994.7 Ų94.756%0.56246%0.463SS*.EExtended strand (participates in β ladder)trans-101136.6-173.3-161.7175.4-164.1-159.1-1111.6V13 V23 A24 G56 D57R11-V13 PolarHBondContact O-N 2.72Å; R11-V23 CarbonylContact O-C 3.58Å; R11-V23 WeakPolarHBondContact O-CA 3.45Å; R11-A24 PolarHBondContact N-O 3.3Å; R11-A24 PolarHBondContact O-N 2.8Å; R11-G56 WeakPolarHBondContact CG-O 3.39Å; R11-G56 PolarHBondContact NE-O 2.88Å; R11-G56 PolarHBondContact NH2-O 3.41Å; R11-D57 CarbonylContact C-O 3.53Å; R11-D57 VanDerWaalsContact CA-O 3.31Å; R11-D57 WeakPolarHBondContact CA-O 3.26Å
12V97.5Very high93.1Very high2 Ų284 Ų841%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-70.4122.6173.4-177.20000109.3I21 V23 C53 G54 G56 D57 V59V12-I21 HydrophobicContact CG1-CB 4.25Å; V12-I21 HydrophobicContact CG2-CD1 4.04Å; V12-V23 HydrophobicContact CG2-CG2 4.41Å; V12-C53 HydrophobicContact CG2-CB 4.18Å; V12-G54 VanDerWaalsContact CB-O 3.26Å; V12-G54 WeakPolarHBondContact CB-O 3.46Å; V12-G54 WeakPolarHBondContact CG1-O 3.41Å; V12-G56 PolarHBondContact O-N 2.86Å; V12-D57 HydrophobicContact CG2-CB 4.08Å; V12-D57 PolarHBondContact N-O 3.01Å; V12-V59 HydrophobicContact CG2-CB 4.46Å; V12-V59 HydrophobicContact CG2-CG1 3.69Å; V12-V59 HydrophobicContact CG2-CG2 3.84Å
13V97.1Very high94.5Very high64 Ų6477.2 Ų77.239%0.38837%0.369SS..EExtended strand (participates in β ladder)trans-103.5-25.6179.3179.80000111.6R11 V22 A24R11-V13 PolarHBondContact O-N 2.72Å; V13-V22 PolarHBondContact N-O 3.39Å; V13-A24 HydrophobicContact CG2-CB 3.43Å; V13-A24 VanDerWaalsContact CG2-CB 3.43Å
14S96.6Very high95.5Very high26 Ų2670.7 Ų70.718%0.18234%0.336CS..EExtended strand (participates in β ladder)trans-154.2133.3179.5-179.10000110.7I21 V22S14-I21 CarbonylContact O-C 3.58Å; S14-I21 WeakPolarHBondContact O-CA 3.45Å; S14-V22 PolarHBondContact N-O 3.3Å; S14-V22 PolarHBondContact O-N 2.88Å
15D94Very high96.1Very high63 Ų6362.2 Ų62.234%0.33730%0.3SS..EExtended strand (participates in β ladder)trans-118.25.3175.659.4-3000112.5M17 I21 I55D15-M17 PolarHBondContact O-N 3.4Å; D15-I21 HydrophobicContact CB-CG2 4.4Å; D15-I55 HydrophobicContact CB-CG1 4.39Å; D15-I55 WeakPolarHBondContact OD1-CD1 3.4Å; D15-I55 WeakPolarHBondContact OD1-CG1 3.46Å; D15-I55 PolarHBondContact OD2-N 2.98Å
16K94.9Very high96.4Very high185 Ų18563.5 Ų63.580%0.80430%0.304SS*.EExtended strand (participates in β ladder)trans-59.2-12-175.4-61.2-177.9178.8-176.30116
17M93.8Very high96.5Very high71 Ų7163.4 Ų63.435%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-105140.5-174.2-68.6177.3-63.900109.9D15 K19 S20 V22D15-M17 PolarHBondContact O-N 3.4Å; M17-K19 PolarHBondContact O-N 2.88Å; M17-S20 PolarHBondContact O-N 2.84Å; M17-V22 HydrophobicContact CE-CG2 3.52Å
18E94.3Very high96.5Very high154 Ų15466.9 Ų66.972%0.7231%0.313SS*.THydrogen-bonded Turntrans-65.2132.5176.5-161.3-173.1169.900111.1S20E18-S20 PolarHBondContact O-N 2.82Å; E18-S20 PolarHBondContact O-OG 2.84Å
19K95.4Very high96.4Very high87 Ų8767.2 Ų67.238%0.37832%0.316SS..THydrogen-bonded Turntrans52.527.1-179.1-61-178.2-178-1730114.8M17 H47 D48 N51 K71M17-K19 PolarHBondContact O-N 2.88Å; K19-H47 PolarHBondContact O-ND1 2.85Å; K19-D48 CarbonylContact C-O 3.11Å; K19-D48 WeakPolarHBondContact CA-O 3.39Å; K19-D48 VanDerWaalsContact CB-O 3.28Å; K19-D48 WeakPolarHBondContact CB-O 3.37Å; K19-D48 PolarHBondContact O-N 2.83Å; K19-N51 WeakPolarHBondContact CA-OD1 3.39Å; K19-N51 PolarHBondContact N-OD1 3.4Å; K19-K71 PolarHBondContact O-NZ 3.28Å
20S96.7Very high96.4Very high13 Ų1368.8 Ų68.89%0.09132%0.321CS..EExtended strand (participates in β ladder)trans-150.5125-169.8-410000111.3M17 E18 V46 K71M17-S20 PolarHBondContact O-N 2.84Å; E18-S20 PolarHBondContact O-N 2.82Å; E18-S20 PolarHBondContact O-OG 2.84Å; S20-V46 WeakPolarHBondContact CA-O 3.32Å; S20-K71 WeakPolarHBondContact OG-CE 3.33Å; S20-K71 PolarHBondContact OG-NZ 3.49Å
21I96.6Very high96.4Very high3 Ų370.6 Ų70.62%0.01533%0.327CS..EExtended strand (participates in β ladder)trans-119.4152.7173.164.9-179000110.4V12 S14 D15 V23 V46 D48 C53V12-I21 HydrophobicContact CG1-CB 4.25Å; V12-I21 HydrophobicContact CG2-CD1 4.04Å; S14-I21 CarbonylContact O-C 3.58Å; S14-I21 WeakPolarHBondContact O-CA 3.45Å; D15-I21 HydrophobicContact CB-CG2 4.4Å; I21-V23 HydrophobicContact CD1-CG2 3.97Å; I21-V23 HydrophobicContact CG1-CG2 3.98Å; I21-V46 HydrophobicContact CD1-CB 4.43Å; I21-V46 HydrophobicContact CD1-CG1 4.43Å; I21-V46 HydrophobicContact CG1-CB 3.78Å; I21-V46 HydrophobicContact CG1-CG1 4.24Å; I21-V46 PolarHBondContact N-O 3.37Å; I21-V46 PolarHBondContact O-N 2.85Å; I21-D48 HydrophobicContact CD1-CB 4.41Å; I21-D48 HydrophobicContact CG2-CB 4.24Å; I21-C53 HydrophobicContact CD1-CB 3.63Å; I21-C53 HydrophobicContact CG2-CB 4.06Å
22V98.1Very high96.2Very high17 Ų1769.3 Ų69.310%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-102.8115.3172.2-175.40000108.4V13 S14 M17 K43 L44V13-V22 PolarHBondContact N-O 3.39Å; S14-V22 PolarHBondContact N-O 3.3Å; S14-V22 PolarHBondContact O-N 2.88Å; M17-V22 HydrophobicContact CE-CG2 3.52Å; V22-K43 HydrophobicContact CG1-CB 3.91Å; V22-K43 HydrophobicContact CG1-CD 4.25Å; V22-K43 HydrophobicContact CG1-CG 4.32Å; V22-L44 WeakPolarHBondContact CA-O 3.42Å
23V98Very high96.2Very high0 Ų075.8 Ų75.80%037%0.371CS..EExtended strand (participates in β ladder)trans-104.9128.5-180-177.10000109.7R11 V12 I21 I25 K43 L44 V46 V59 I61R11-V23 CarbonylContact O-C 3.58Å; R11-V23 WeakPolarHBondContact O-CA 3.45Å; V12-V23 HydrophobicContact CG2-CG2 4.41Å; I21-V23 HydrophobicContact CD1-CG2 3.97Å; I21-V23 HydrophobicContact CG1-CG2 3.98Å; V23-I25 HydrophobicContact CG1-CD1 3.84Å; V23-K43 CarbonylContact O-C 3.58Å; V23-K43 WeakPolarHBondContact O-CA 3.29Å; V23-L44 PolarHBondContact N-O 3.42Å; V23-L44 PolarHBondContact O-N 2.8Å; V23-V46 HydrophobicContact CB-CG2 3.99Å; V23-V46 HydrophobicContact CG2-CB 4.18Å; V23-V46 HydrophobicContact CG2-CG2 3.6Å; V23-V59 HydrophobicContact CB-CG2 4.44Å; V23-V59 HydrophobicContact CG1-CG2 3.89Å; V23-V59 HydrophobicContact CG2-CG2 3.61Å; V23-I61 HydrophobicContact CB-CD1 4.5Å; V23-I61 HydrophobicContact CG1-CD1 4.48Å; V23-I61 HydrophobicContact CG2-CG2 4.31Å
24A98.1Very high96.1Very high9 Ų981.7 Ų81.77%0.07439%0.387CS..EExtended strand (participates in β ladder)trans-88.6116.2170.400000110.1G10 R11 V13 T41G10-A24 WeakPolarHBondContact CA-O 3.35Å; R11-A24 PolarHBondContact N-O 3.3Å; R11-A24 PolarHBondContact O-N 2.8Å; V13-A24 HydrophobicContact CG2-CB 3.43Å; V13-A24 VanDerWaalsContact CG2-CB 3.43Å; A24-T41 HydrophobicContact CB-CG2 3.63Å
25I97.7Very high96Very high18 Ų1881.7 Ų81.79%0.09239%0.392CS..EExtended strand (participates in β ladder)trans-95.1116.8170.3-51.2-57.2000108.2L8 Q9 V23 T41 T42 L44 I61L8-I25 HydrophobicContact CB-CD1 3.98Å; L8-I25 HydrophobicContact CD1-CG1 4.23Å; L8-I25 HydrophobicContact CD1-CG2 4.39Å; Q9-I25 WeakPolarHBondContact O-CD1 3.38Å; V23-I25 HydrophobicContact CG1-CD1 3.84Å; I25-T41 CarbonylContact O-C 3.59Å; I25-T41 WeakPolarHBondContact O-CA 3.26Å; I25-T42 PolarHBondContact N-O 3.2Å; I25-T42 PolarHBondContact O-N 3.38Å; I25-L44 HydrophobicContact CG1-CD1 3.7Å; I25-L44 HydrophobicContact CG1-CG 4.31Å; I25-I61 HydrophobicContact CD1-CD1 3.98Å
26E96.5Very high96.1Very high109 Ų10986.2 Ų86.251%0.50941%0.409SS..EExtended strand (participates in β ladder)trans-95.2139.6175.3-56.9-166.2145.400110.7K39 R40 T41E26-K39 HydrophobicContact CB-CD 4.49Å; E26-K39 HydrophobicContact CB-CG 4.44Å; E26-K39 HydrophobicContact CG-CD 4.44Å; E26-K39 IonicContact OE1-NZ 3.58Å; E26-K39 WeakPolarHBondContact OE2-CE 3.38Å; E26-K39 IonicContact OE2-NZ 2.72Å; E26-K39 PolarHBondContact OE2-NZ 2.76Å; E26-R40 CarbonylContact C-O 3.57Å; E26-R40 WeakPolarHBondContact CA-O 3.41Å; E26-T41 HydrophobicContact CG-CG2 4.3Å
27R95.9Very high96.2Very high138 Ų13884.1 Ų84.152%0.52140%0.4SS..EExtended strand (participates in β ladder)trans-143.1147.8173.663-176.2177.8105.81.5110.8V29 R40R27-V29 HydrophobicContact CG-CG2 4.05Å; R27-R40 HydrophobicContact CG-CB 4.2Å; R27-R40 PolarHBondContact N-O 2.87Å; R27-R40 PolarHBondContact O-N 2.85Å
28F96.2Very high96.3Very high146 Ų14683 Ų8364%0.6440%0.395SS*.EExtended strand (participates in β ladder)trans-88131.2170.1-69.1-80.4000110F37 I38 K39F28-F37 HydrophobicContact CB-CD1 4.24Å; F28-F37 HydrophobicContact CD1-CB 4.47Å; F28-I38 WeakPolarHBondContact CA-O 3.4Å; F28-K39 HydrophobicContact CD1-CB 4.46Å; F28-K39 HydrophobicContact CE1-CB 4.17Å
29V95.7Very high96.4Very high44 Ų4480.9 Ų80.927%0.26738%0.383SS..EExtended strand (participates in β ladder)trans-125.8132.8177.9-172.70000107.9R27 H31 I38 R40R27-V29 HydrophobicContact CG-CG2 4.05Å; V29-H31 PolarHBondContact O-N 3.05Å; V29-I38 PolarHBondContact N-O 2.88Å; V29-I38 VanDerWaalsContact O-CG1 3.29Å; V29-I38 WeakPolarHBondContact O-CG1 3.45Å; V29-I38 PolarHBondContact O-N 2.8Å; V29-R40 HydrophobicContact CB-CG 4.24Å; V29-R40 HydrophobicContact CG2-CB 4.13Å; V29-R40 HydrophobicContact CG2-CG 3.8Å
30K97.4Very high96.5Very high135 Ų13583.1 Ų83.159%0.58739%0.389SS*.EExtended strand (participates in β ladder)trans-68.5125.5173.3-169.4174.2-177.71790109.2G35 F37K30-G35 WeakPolarHBondContact CE-O 3.31Å; K30-G35 WeakPolarHBondContact CG-O 3.45Å; K30-F37 HydrophobicContact CB-CD1 4.39Å; K30-F37 HydrophobicContact CB-CE1 4.16Å
31H96.5Very high96.5Very high49 Ų4986 Ų8623%0.22741%0.407CS..  trans-63.9130172.8-173.5-72.9000109.2V29 I33 Y34 G35 K36V29-H31 PolarHBondContact O-N 3.05Å; H31-I33 PolarHBondContact ND1-N 3.49Å; H31-I33 PolarHBondContact O-N 3.04Å; H31-Y34 AromaticContact CE1-CD2 3.32Å; H31-Y34 WeakPolarHBondContact CE1-CD2 3.4Å; H31-Y34 AromaticContact CE1-CE2 3.66Å; H31-Y34 AromaticContact CG-CD2 3.92Å; H31-Y34 AromaticContact ND1-CD2 3.37Å; H31-Y34 WeakPolarHBondContact ND1-CD2 3.37Å; H31-Y34 PolarHBondContact ND1-N 2.82Å; H31-Y34 AromaticContact NE2-CD2 3.83Å; H31-G35 VanDerWaalsContact O-CA 3.32Å; H31-G35 WeakPolarHBondContact O-CA 3.49Å; H31-G35 PolarHBondContact O-N 2.86Å; H31-K36 WeakPolarHBondContact CB-O 3.4Å; H31-K36 PolarHBondContact N-O 3.09Å
32P94.1Very high96.5Very high123 Ų12389 Ų8980%0.79943%0.425SS*.THydrogen-bonded Turntrans-61.2-40.9-169.121.7-33.6000113.3
33I96.2Very high96.5Very high138 Ų13894.7 Ų94.771%0.70845%0.448SS*.THydrogen-bonded Turntrans-85.2-59.5-178.3-62164.1000111.3H31 G35H31-I33 PolarHBondContact ND1-N 3.49Å; H31-I33 PolarHBondContact O-N 3.04Å; I33-G35 PolarHBondContact O-N 2.91Å
34Y95.4Very high96.4Very high187 Ų18796.2 Ų96.273%0.73346%0.456SS*.THydrogen-bonded Turntrans-78.6-12.2-173.1-54.7-62.9000115.6H31 K36H31-Y34 AromaticContact CE1-CD2 3.32Å; H31-Y34 WeakPolarHBondContact CE1-CD2 3.4Å; H31-Y34 AromaticContact CE1-CE2 3.66Å; H31-Y34 AromaticContact CG-CD2 3.92Å; H31-Y34 AromaticContact ND1-CD2 3.37Å; H31-Y34 WeakPolarHBondContact ND1-CD2 3.37Å; H31-Y34 PolarHBondContact ND1-N 2.82Å; H31-Y34 AromaticContact NE2-CD2 3.83Å; Y34-K36 PolarHBondContact O-N 2.82Å
35G94.6Very high96.4Very high27 Ų2798.7 Ų98.728%0.27847%0.466SS..  trans67-1.6-178.300000116.3K30 H31 I33K30-G35 WeakPolarHBondContact CE-O 3.31Å; K30-G35 WeakPolarHBondContact CG-O 3.45Å; H31-G35 VanDerWaalsContact O-CA 3.32Å; H31-G35 WeakPolarHBondContact O-CA 3.49Å; H31-G35 PolarHBondContact O-N 2.86Å; I33-G35 PolarHBondContact O-N 2.91Å
36K97Very high96.4Very high158 Ų15897.9 Ų97.969%0.68746%0.462SS*.  trans-69.2136.5174.9-173.5173.3-178.1175.90110.7H31 Y34 I38H31-K36 WeakPolarHBondContact CB-O 3.4Å; H31-K36 PolarHBondContact N-O 3.09Å; Y34-K36 PolarHBondContact O-N 2.82Å; K36-I38 PolarHBondContact O-N 2.68Å
37F96.6Very high96.5Very high141 Ų14194.6 Ų94.662%0.61845%0.446SS*.EExtended strand (participates in β ladder)trans-72.9124.3170.7-72.8-82.7000110.3F28 K30F28-F37 HydrophobicContact CB-CD1 4.24Å; F28-F37 HydrophobicContact CD1-CB 4.47Å; K30-F37 HydrophobicContact CB-CD1 4.39Å; K30-F37 HydrophobicContact CB-CE1 4.16Å
38I96Very high96.5Very high47 Ų4788.1 Ų88.124%0.24142%0.422CS..EExtended strand (participates in β ladder)trans-115.6142.6175.859.9170.2000109.8F28 V29 K36F28-I38 WeakPolarHBondContact CA-O 3.4Å; V29-I38 PolarHBondContact N-O 2.88Å; V29-I38 VanDerWaalsContact O-CG1 3.29Å; V29-I38 WeakPolarHBondContact O-CG1 3.45Å; V29-I38 PolarHBondContact O-N 2.8Å; K36-I38 PolarHBondContact O-N 2.68Å
39K96.4Very high96.4Very high109 Ų10987.2 Ų87.247%0.47442%0.42SS..EExtended strand (participates in β ladder)trans-75.3131.8173.8-173.4-177.5-77.3-1570109.4E26 F28E26-K39 HydrophobicContact CB-CD 4.49Å; E26-K39 HydrophobicContact CB-CG 4.44Å; E26-K39 HydrophobicContact CG-CD 4.44Å; E26-K39 IonicContact OE1-NZ 3.58Å; E26-K39 WeakPolarHBondContact OE2-CE 3.38Å; E26-K39 IonicContact OE2-NZ 2.72Å; E26-K39 PolarHBondContact OE2-NZ 2.76Å; F28-K39 HydrophobicContact CD1-CB 4.46Å; F28-K39 HydrophobicContact CE1-CB 4.17Å
40R96.7Very high96.3Very high135 Ų13590.3 Ų90.351%0.50944%0.435SS..EExtended strand (participates in β ladder)trans-122.8139.4171.4-67.3-62.9-171.5176.8-0.1108.8E26 R27 V29E26-R40 CarbonylContact C-O 3.57Å; E26-R40 WeakPolarHBondContact CA-O 3.41Å; R27-R40 HydrophobicContact CG-CB 4.2Å; R27-R40 PolarHBondContact N-O 2.87Å; R27-R40 PolarHBondContact O-N 2.85Å; V29-R40 HydrophobicContact CB-CG 4.24Å; V29-R40 HydrophobicContact CG2-CB 4.13Å; V29-R40 HydrophobicContact CG2-CG 3.8Å
41T96.7Very high96.1Very high74 Ų7487.9 Ų87.945%0.45443%0.428SS..EExtended strand (participates in β ladder)trans-120127-178.6-520000109.1A24 I25 E26A24-T41 HydrophobicContact CB-CG2 3.63Å; I25-T41 CarbonylContact O-C 3.59Å; I25-T41 WeakPolarHBondContact O-CA 3.26Å; E26-T41 HydrophobicContact CG-CG2 4.3Å
42T96.6Very high95.8Very high64 Ų6490.6 Ų90.639%0.39344%0.441SS..EExtended strand (participates in β ladder)trans-110.8130.6171.7-61.30000108.4I25 L44I25-T42 PolarHBondContact N-O 3.2Å; I25-T42 PolarHBondContact O-N 3.38Å; T42-L44 HydrophobicContact CG2-CD2 4.03Å; T42-L44 HydrophobicContact CG2-CG 4.38Å
43K97.6Very high95.7Very high138 Ų13885.1 Ų85.160%0.641%0.405SS*.EExtended strand (participates in β ladder)trans-93.3131.1174.1-64.4-176.8-177.4-179.50109.5V22 V23V22-K43 HydrophobicContact CG1-CB 3.91Å; V22-K43 HydrophobicContact CG1-CD 4.25Å; V22-K43 HydrophobicContact CG1-CG 4.32Å; V23-K43 CarbonylContact O-C 3.58Å; V23-K43 WeakPolarHBondContact O-CA 3.29Å
44L97.6Very high95.6Very high31 Ų3179.6 Ų79.616%0.16238%0.383CS..EExtended strand (participates in β ladder)trans-121.4139.3178.2-62.5177.2000109.9L8 V22 V23 I25 T42 V46 I61 W73L8-L44 HydrophobicContact CD1-CD1 4.12Å; V22-L44 WeakPolarHBondContact CA-O 3.42Å; V23-L44 PolarHBondContact N-O 3.42Å; V23-L44 PolarHBondContact O-N 2.8Å; I25-L44 HydrophobicContact CG1-CD1 3.7Å; I25-L44 HydrophobicContact CG1-CG 4.31Å; T42-L44 HydrophobicContact CG2-CD2 4.03Å; T42-L44 HydrophobicContact CG2-CG 4.38Å; L44-V46 HydrophobicContact CB-CG2 4.39Å; L44-I61 HydrophobicContact CD1-CD1 3.88Å; L44-W73 HydrophobicContact CD1-CD2 4Å; L44-W73 HydrophobicContact CD1-CG 4.3Å; L44-W73 HydrophobicContact CD1-CZ2 4.05Å
45H98Very high95.6Very high62 Ų6275 Ų7529%0.28737%0.37SS..EExtended strand (participates in β ladder)trans-86.4121.8170.6-64.8-89.7000108.9T70 K71H45-T70 PolarHBondContact CD2-OG1 2.82Å; H45-K71 HydrophobicContact CB-CB 4.14Å; H45-K71 HydrophobicContact CB-CG 4.4Å
46V98.1Very high95.6Very high0 Ų074.2 Ų74.20%036%0.362CS..EExtended strand (participates in β ladder)trans-119.9136.4-172-1780000108.7S20 I21 V23 L44 I61 W73 L75S20-V46 WeakPolarHBondContact CA-O 3.32Å; I21-V46 HydrophobicContact CD1-CB 4.43Å; I21-V46 HydrophobicContact CD1-CG1 4.43Å; I21-V46 HydrophobicContact CG1-CB 3.78Å; I21-V46 HydrophobicContact CG1-CG1 4.24Å; I21-V46 PolarHBondContact N-O 3.37Å; I21-V46 PolarHBondContact O-N 2.85Å; V23-V46 HydrophobicContact CB-CG2 3.99Å; V23-V46 HydrophobicContact CG2-CB 4.18Å; V23-V46 HydrophobicContact CG2-CG2 3.6Å; L44-V46 HydrophobicContact CB-CG2 4.39Å; V46-I61 HydrophobicContact CB-CG2 4.42Å; V46-I61 HydrophobicContact CG1-CB 4.2Å; V46-I61 HydrophobicContact CG1-CG2 3.64Å; V46-I61 HydrophobicContact CG2-CB 4.39Å; V46-I61 HydrophobicContact CG2-CD1 3.77Å; V46-I61 HydrophobicContact CG2-CG2 3.97Å; V46-W73 CarbonylContact C-O 3.55Å; V46-W73 WeakPolarHBondContact CA-O 3.32Å; V46-W73 HydrophobicContact CB-CB 4.42Å; V46-W73 HydrophobicContact CG1-CB 4.45Å; V46-W73 HydrophobicContact CG2-CB 3.92Å; V46-L75 HydrophobicContact CG1-CB 4.41Å
47H98.1Very high95.6Very high41 Ų4167 Ų6719%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-76.9123.4170.7-163.835.1000110.3K19 L67 K71 W73 T74 L75K19-H47 PolarHBondContact O-ND1 2.85Å; H47-L67 HydrophobicContact CB-CD1 3.48Å; H47-L67 VanDerWaalsContact CB-CD1 3.48Å; H47-K71 HydrophobicContact CB-CD 3.82Å; H47-W73 PolarHBondContact N-O 2.93Å; H47-T74 PolarHBondContact O-OG1 2.83Å; H47-L75 WeakPolarHBondContact O-CB 3.32Å; H47-L75 PolarHBondContact O-N 3.08Å
48D96.2Very high95.6Very high2 Ų262.1 Ų62.11%0.01131%0.313CS..  trans-119.5114.3165.2177.1-5.4000105.1K19 I21 N50 N51 E52 C53 L75K19-D48 CarbonylContact C-O 3.11Å; K19-D48 WeakPolarHBondContact CA-O 3.39Å; K19-D48 VanDerWaalsContact CB-O 3.28Å; K19-D48 WeakPolarHBondContact CB-O 3.37Å; K19-D48 PolarHBondContact O-N 2.83Å; I21-D48 HydrophobicContact CD1-CB 4.41Å; I21-D48 HydrophobicContact CG2-CB 4.24Å; D48-N50 PolarHBondContact OD1-N 2.94Å; D48-N51 PolarHBondContact OD1-N 2.86Å; D48-N51 VanDerWaalsContact OD2-C 3.3Å; D48-N51 VanDerWaalsContact OD2-CA 3.3Å; D48-N51 WeakPolarHBondContact OD2-CA 3.31Å; D48-E52 PolarHBondContact OD1-N 3.47Å; D48-E52 PolarHBondContact OD2-N 2.91Å; D48-C53 WeakPolarHBondContact OD2-CB 3.46Å; D48-C53 PolarHBondContact OD2-N 2.64Å; D48-L75 HydrophobicContact CB-CD2 4.32Å
49E93.2Very high95.7Very high127 Ų12759.9 Ų59.959%0.59330%0.301SS*.SBendtrans-73.8-33.6-174.1-176.1167.6-166.700112.3
50N94.1Very high95.7Very high109 Ų10955.7 Ų55.758%0.58328%0.283SS*.SBendtrans-102.4-2.1-171.4-66.4-27.3000113D48 E52D48-N50 PolarHBondContact OD1-N 2.94Å; N50-E52 HydrophobicContact CB-CG 3.66Å; N50-E52 VanDerWaalsContact CB-OE1 3.27Å; N50-E52 WeakPolarHBondContact CB-OE1 3.4Å; N50-E52 PolarHBondContact ND2-OE1 3.39Å; N50-E52 PolarHBondContact O-N 3.18Å
51N91.9Very high95.7Very high83 Ų8349.2 Ų49.244%0.44426%0.259SS..  trans5440.8-172.9-53.8-54.3000111.9K19 D48 C53K19-N51 WeakPolarHBondContact CA-OD1 3.39Å; K19-N51 PolarHBondContact N-OD1 3.4Å; D48-N51 PolarHBondContact OD1-N 2.86Å; D48-N51 VanDerWaalsContact OD2-C 3.3Å; D48-N51 VanDerWaalsContact OD2-CA 3.3Å; D48-N51 WeakPolarHBondContact OD2-CA 3.31Å; N51-C53 VanDerWaalsContact C-N 3.31Å
52E90.3Very high95.7Very high107 Ų10750.6 Ų50.650%0.526%0.256SS..  trans-74.3-23.1-178.4-75.6169-158.700112.7D48 N50 K81D48-E52 PolarHBondContact OD1-N 3.47Å; D48-E52 PolarHBondContact OD2-N 2.91Å; N50-E52 HydrophobicContact CB-CG 3.66Å; N50-E52 VanDerWaalsContact CB-OE1 3.27Å; N50-E52 WeakPolarHBondContact CB-OE1 3.4Å; N50-E52 PolarHBondContact ND2-OE1 3.39Å; N50-E52 PolarHBondContact O-N 3.18Å; E52-K81 PolarHBondContact O-NZ 2.93Å
53C93.1Very high95.7Very high7 Ų751.3 Ų51.35%0.04725%0.254CS..PPolyproline II helixtrans-89.4130.3-174.2-67.10000113.1V12 I21 D48 N51 V59 L75V12-C53 HydrophobicContact CG2-CB 4.18Å; I21-C53 HydrophobicContact CD1-CB 3.63Å; I21-C53 HydrophobicContact CG2-CB 4.06Å; D48-C53 WeakPolarHBondContact OD2-CB 3.46Å; D48-C53 PolarHBondContact OD2-N 2.64Å; N51-C53 VanDerWaalsContact C-N 3.31Å; C53-V59 HydrophobicContact CB-CG1 4.45Å; C53-V59 VanDerWaalsContact SG-CG1 3.58Å; C53-L75 VanDerWaalsContact SG-CD1 3.58Å; C53-L75 WeakPolarHBondContact SG-CD2 3.47Å
54G93.1Very high95.6Very high23 Ų2346.5 Ų46.524%0.23724%0.238CC..PPolyproline II helixtrans-103.1163.6172.400000112.6V12 G56 D57V12-G54 VanDerWaalsContact CB-O 3.26Å; V12-G54 WeakPolarHBondContact CB-O 3.46Å; V12-G54 WeakPolarHBondContact CG1-O 3.41Å; G54-G56 PolarHBondContact O-N 3.32Å; G54-D57 PolarHBondContact N-OD2 3.22Å; G54-D57 WeakPolarHBondContact O-CB 3.35Å; G54-D57 PolarHBondContact O-N 3.37Å
55I95.7Very high95.4Very high91 Ų9153.8 Ų53.847%0.46726%0.263SS..THydrogen-bonded Turntrans-56.9132.4172.7-63.3170.9000110.3D15D15-I55 HydrophobicContact CB-CG1 4.39Å; D15-I55 WeakPolarHBondContact OD1-CD1 3.4Å; D15-I55 WeakPolarHBondContact OD1-CG1 3.46Å; D15-I55 PolarHBondContact OD2-N 2.98Å
56G95.1Very high95.4Very high10 Ų1055.6 Ų55.610%0.10328%0.28CS..THydrogen-bonded Turntrans94.2-13.3177.400000114.5R11 V12 G54R11-G56 WeakPolarHBondContact CG-O 3.39Å; R11-G56 PolarHBondContact NE-O 2.88Å; R11-G56 PolarHBondContact NH2-O 3.41Å; V12-G56 PolarHBondContact O-N 2.86Å; G54-G56 PolarHBondContact O-N 3.32Å
57D96.2Very high95.2Very high6 Ų658.6 Ų58.63%0.03230%0.296CS..  trans-62.6144.1175.5-70.8-8.6000111.2R11 V12 G54 V59 V78 E80 K81 A82R11-D57 CarbonylContact C-O 3.53Å; R11-D57 VanDerWaalsContact CA-O 3.31Å; R11-D57 WeakPolarHBondContact CA-O 3.26Å; V12-D57 HydrophobicContact CG2-CB 4.08Å; V12-D57 PolarHBondContact N-O 3.01Å; G54-D57 PolarHBondContact N-OD2 3.22Å; G54-D57 WeakPolarHBondContact O-CB 3.35Å; G54-D57 PolarHBondContact O-N 3.37Å; D57-V59 HydrophobicContact CB-CG1 4.18Å; D57-V78 HydrophobicContact CB-CG1 4.23Å; D57-E80 CarbonylContact C-O 3.57Å; D57-E80 WeakPolarHBondContact CA-O 3.4Å; D57-K81 WeakPolarHBondContact OD1-CA 3.28Å; D57-K81 WeakPolarHBondContact OD2-CD 3.36Å; D57-K81 IonicContact OD2-NZ 2.8Å; D57-K81 PolarHBondContact OD2-NZ 3.15Å; D57-A82 PolarHBondContact OD1-N 2.94Å
58V97.1Very high95.1Very high39 Ų3959.4 Ų59.424%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-92.4123.2166.5-175.40000108G10 V79 E80G10-V58 WeakPolarHBondContact O-CA 3.37Å; V58-V79 HydrophobicContact CB-CB 4.42Å; V58-V79 HydrophobicContact CG1-CB 4.17Å; V58-V79 WeakPolarHBondContact O-CA 3.27Å; V58-V79 WeakPolarHBondContact O-CB 3.3Å; V58-V79 PolarHBondContact O-N 3.31Å; V58-E80 HydrophobicContact CB-CB 3.9Å; V58-E80 HydrophobicContact CG2-CB 4.06Å; V58-E80 PolarHBondContact N-O 2.8Å; V58-E80 PolarHBondContact O-N 3.12Å; V58-E80 VanDerWaalsContact O-N 3.09Å
59V97.3Very high95Very high0 Ų069.4 Ų69.40%035%0.35CS..EExtended strand (participates in β ladder)trans-126.4145.6-173.8-63.10000111.1Q9 G10 V12 V23 C53 D57 I61 L75 V78Q9-V59 VanDerWaalsContact CA-O 3.31Å; Q9-V59 WeakPolarHBondContact CA-O 3.32Å; G10-V59 PolarHBondContact N-O 3.22Å; G10-V59 PolarHBondContact O-N 2.83Å; V12-V59 HydrophobicContact CG2-CB 4.46Å; V12-V59 HydrophobicContact CG2-CG1 3.69Å; V12-V59 HydrophobicContact CG2-CG2 3.84Å; V23-V59 HydrophobicContact CB-CG2 4.44Å; V23-V59 HydrophobicContact CG1-CG2 3.89Å; V23-V59 HydrophobicContact CG2-CG2 3.61Å; C53-V59 HydrophobicContact CB-CG1 4.45Å; C53-V59 VanDerWaalsContact SG-CG1 3.58Å; D57-V59 HydrophobicContact CB-CG1 4.18Å; V59-I61 HydrophobicContact CG2-CG2 3.99Å; V59-L75 HydrophobicContact CB-CD1 3.79Å; V59-L75 HydrophobicContact CG1-CD1 4Å; V59-V78 HydrophobicContact CG1-CG1 4.4Å; V59-V78 HydrophobicContact CG1-CG2 4.25Å
60E97.4Very high95.1Very high20 Ų2067.1 Ų67.19%0.09335%0.345CS..EExtended strand (participates in β ladder)trans-96130.9167.1-171.5174.2-109.500109.4L8 Q9 V76 R77 V79L8-E60 WeakPolarHBondContact O-CA 3.4Å; Q9-E60 HydrophobicContact CG-CB 4.02Å; Q9-E60 HydrophobicContact CG-CG 3.99Å; Q9-E60 PolarHBondContact NE2-OE1 2.84Å; E60-V76 HydrophobicContact CB-CB 4.36Å; E60-V76 HydrophobicContact CG-CB 4.31Å; E60-V76 WeakPolarHBondContact O-CB 3.24Å; E60-V76 PolarHBondContact O-N 3.33Å; E60-R77 HydrophobicContact CB-CG 4.16Å; E60-R77 VanDerWaalsContact CD-NH2 3.3Å; E60-R77 PolarHBondContact N-O 2.71Å; E60-R77 PolarHBondContact O-N 2.66Å; E60-R77 IonicContact OE1-CZ 3.97Å; E60-R77 IonicContact OE1-NH2 3.18Å; E60-R77 PolarHBondContact OE1-NH2 3.37Å; E60-R77 IonicContact OE2-CZ 2.91Å; E60-R77 IonicContact OE2-NE 3.83Å; E60-R77 IonicContact OE2-NH1 2.64Å; E60-R77 PolarHBondContact OE2-NH1 2.81Å; E60-R77 IonicContact OE2-NH2 2.91Å; E60-R77 PolarHBondContact OE2-NH2 3.06Å; E60-V79 HydrophobicContact CB-CG2 3.98Å
61I97.3Very high95.2Very high0 Ų063.1 Ų63.10%032%0.322CS..EExtended strand (participates in β ladder)trans-127.4152.1-176.565.4169.8000109.8T7 L8 V23 I25 L44 V46 V59 W73 T74T7-I61 CarbonylContact C-O 3.51Å; T7-I61 VanDerWaalsContact CA-O 3.23Å; T7-I61 WeakPolarHBondContact CA-O 3.34Å; L8-I61 HydrophobicContact CB-CD1 4.43Å; L8-I61 HydrophobicContact CB-CG1 4.01Å; L8-I61 PolarHBondContact N-O 2.82Å; L8-I61 WeakPolarHBondContact O-CG1 3.35Å; L8-I61 PolarHBondContact O-N 2.91Å; V23-I61 HydrophobicContact CB-CD1 4.5Å; V23-I61 HydrophobicContact CG1-CD1 4.48Å; V23-I61 HydrophobicContact CG2-CG2 4.31Å; I25-I61 HydrophobicContact CD1-CD1 3.98Å; L44-I61 HydrophobicContact CD1-CD1 3.88Å; V46-I61 HydrophobicContact CB-CG2 4.42Å; V46-I61 HydrophobicContact CG1-CB 4.2Å; V46-I61 HydrophobicContact CG1-CG2 3.64Å; V46-I61 HydrophobicContact CG2-CB 4.39Å; V46-I61 HydrophobicContact CG2-CD1 3.77Å; V46-I61 HydrophobicContact CG2-CG2 3.97Å; V59-I61 HydrophobicContact CG2-CG2 3.99Å; I61-W73 HydrophobicContact CB-CE3 4.21Å; I61-W73 HydrophobicContact CD1-CB 4.38Å; I61-W73 HydrophobicContact CD1-CD2 4Å; I61-W73 HydrophobicContact CD1-CE3 3.62Å; I61-W73 HydrophobicContact CD1-CG 4.32Å; I61-W73 HydrophobicContact CD1-CZ3 4.27Å; I61-W73 HydrophobicContact CG1-CE3 3.66Å; I61-W73 HydrophobicContact CG1-CZ3 4.1Å; I61-T74 WeakPolarHBondContact CA-O 3.31Å
62R96.5Very high95.4Very high103 Ų10361.4 Ų61.439%0.38932%0.317SS..EExtended strand (participates in β ladder)trans-129.715317769.2-177.9174.2114.7-1.9111.7I5 R6 T7 W73 T74 V76I5-R62 HydrophobicContact CG2-CB 3.91Å; I5-R62 HydrophobicContact CG2-CG 4.42Å; R6-R62 WeakPolarHBondContact O-CA 3.23Å; T7-R62 HydrophobicContact CG2-CB 4.07Å; R62-W73 CarbonylContact O-C 3.58Å; R62-W73 VanDerWaalsContact O-CA 3.31Å; R62-W73 WeakPolarHBondContact O-CA 2.94Å; R62-T74 HydrophobicContact CG-CG2 3.47Å; R62-T74 VanDerWaalsContact CG-CG2 3.47Å; R62-T74 PolarHBondContact N-O 2.9Å; R62-T74 PolarHBondContact O-N 2.8Å; R62-V76 HydrophobicContact CB-CG2 3.63Å; R62-V76 HydrophobicContact CG-CG2 3.54Å
63E96.7Very high95.8Very high78 Ų7857 Ų5736%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-63.5140.6171.4-69.3-179172.200110.2I5 R6 W73I5-E63 HydrophobicContact CG2-CB 4.43Å; I5-E63 WeakPolarHBondContact CG2-O 3.17Å; R6-E63 HydrophobicContact CB-CG 4.15Å; R6-E63 VanDerWaalsContact CD-OE1 3.26Å; R6-E63 WeakPolarHBondContact CD-OE1 3.37Å; R6-E63 IonicContact NH1-OE1 3.47Å; R6-E63 PolarHBondContact NH1-OE1 3.44Å; R6-E63 PolarHBondContact O-N 3.35Å; R6-E63 VanDerWaalsContact O-N 3.08Å; E63-W73 HydrophobicContact CG-CD2 4.09Å; E63-W73 HydrophobicContact CG-CE3 4.03Å; E63-W73 HydrophobicContact CG-CH2 3.3Å; E63-W73 HydrophobicContact CG-CZ2 3.36Å; E63-W73 HydrophobicContact CG-CZ3 3.66Å; E63-W73 WeakPolarHBondContact OE1-CZ2 3.38Å
64C94.6Very high96Very high38 Ų3857.7 Ų57.726%0.25730%0.3SS..  trans-139.4177.1174.569.10000110.1S72 W73 T74C64-S72 PolarHBondContact N-O 2.8Å; C64-S72 VanDerWaalsContact SG-C 3.54Å; C64-W73 VanDerWaalsContact SG-C 3.56Å; C64-T74 HydrophobicContact CB-CG2 4.01Å
65R94.4Very high96.2Very high183 Ų18357.9 Ų57.969%0.69130%0.295SS*.SBendtrans-55148.7170.267.5-179178.287.5-1.8110.4L67R65-L67 HydrophobicContact CG-CD2 4.36Å; R65-L67 PolarHBondContact O-N 3.38Å; R65-L67 VanDerWaalsContact O-N 3.16Å
66P96.6Very high96.2Very high100 Ų10056.4 Ų56.465%0.64929%0.29SS*.  trans-55.8123170.9-23.333.6000110.4
67L94.6Very high96.2Very high63 Ų6362 Ų6233%0.3331%0.308SS..SBendtrans-98.7-25173.9-64.7173.3000111.1H47 R65 K71H47-L67 HydrophobicContact CB-CD1 3.48Å; H47-L67 VanDerWaalsContact CB-CD1 3.48Å; R65-L67 HydrophobicContact CG-CD2 4.36Å; R65-L67 PolarHBondContact O-N 3.38Å; R65-L67 VanDerWaalsContact O-N 3.16Å; L67-K71 HydrophobicContact CB-CB 4.36Å; L67-K71 HydrophobicContact CB-CD 3.97Å; L67-K71 HydrophobicContact CB-CG 4.26Å; L67-K71 HydrophobicContact CD1-CD 3.86Å; L67-K71 HydrophobicContact CD1-CG 4.33Å; L67-K71 PolarHBondContact N-O 2.89Å
68S94.8Very high96.2Very high59 Ų5963.6 Ų63.641%0.41332%0.318SS..SBendtrans-151-176.817280.90000110T70 K71S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 VanDerWaalsContact O-N 3.12Å; S68-T70 PolarHBondContact OG-N 3.04Å; S68-K71 PolarHBondContact N-O 3.36Å; S68-K71 VanDerWaalsContact OG-CB 3.24Å; S68-K71 WeakPolarHBondContact OG-CB 3.34Å; S68-K71 PolarHBondContact OG-N 3.01Å
69K95.3Very high96.1Very high211 Ų21165.1 Ų65.192%0.91733%0.327SS*.SBendtrans-51.9-32.5174.4-174.3176.9-179.3178.80113.5
70T95.8Very high96Very high79 Ų7970.9 Ų70.949%0.48535%0.354SS..SBendtrans-123.7-13.5-174.958.40000114.2H45 S68H45-T70 PolarHBondContact CD2-OG1 2.82Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 VanDerWaalsContact O-N 3.12Å; S68-T70 PolarHBondContact OG-N 3.04Å
71K95.6Very high95.8Very high25 Ų2575.2 Ų75.211%0.10937%0.373CS..EExtended strand (participates in β ladder)trans-95.9101.4-177.9-169.2-170.4-64.7-1750110.2K19 S20 H45 H47 L67 S68K19-K71 PolarHBondContact O-NZ 3.28Å; S20-K71 WeakPolarHBondContact OG-CE 3.33Å; S20-K71 PolarHBondContact OG-NZ 3.49Å; H45-K71 HydrophobicContact CB-CB 4.14Å; H45-K71 HydrophobicContact CB-CG 4.4Å; H47-K71 HydrophobicContact CB-CD 3.82Å; L67-K71 HydrophobicContact CB-CB 4.36Å; L67-K71 HydrophobicContact CB-CD 3.97Å; L67-K71 HydrophobicContact CB-CG 4.26Å; L67-K71 HydrophobicContact CD1-CD 3.86Å; L67-K71 HydrophobicContact CD1-CG 4.33Å; L67-K71 PolarHBondContact N-O 2.89Å; S68-K71 PolarHBondContact N-O 3.36Å; S68-K71 VanDerWaalsContact OG-CB 3.24Å; S68-K71 WeakPolarHBondContact OG-CB 3.34Å; S68-K71 PolarHBondContact OG-N 3.01Å
72S96.8Very high95.4Very high48 Ų4877.2 Ų77.234%0.33639%0.39SS..EExtended strand (participates in β ladder)trans-126.917.3176.3580000112.8C64C64-S72 PolarHBondContact N-O 2.8Å; C64-S72 VanDerWaalsContact SG-C 3.54Å
73W98.1Very high94.8Very high14 Ų1478.8 Ų78.85%0.05341%0.41CS..EExtended strand (participates in β ladder)trans-127.8149.5-179.8-67.579.6000109.8R6 L8 L44 V46 H47 I61 R62 E63 C64R6-W73 HydrophobicContact CG-CH2 4.29Å; L8-W73 HydrophobicContact CB-CH2 4.41Å; L8-W73 HydrophobicContact CB-CZ3 4.11Å; L8-W73 HydrophobicContact CD1-CH2 3.25Å; L8-W73 HydrophobicContact CD1-CZ2 3.81Å; L8-W73 HydrophobicContact CD1-CZ3 3.77Å; L8-W73 HydrophobicContact CG-CH2 3.65Å; L8-W73 HydrophobicContact CG-CZ3 3.82Å; L44-W73 HydrophobicContact CD1-CD2 4Å; L44-W73 HydrophobicContact CD1-CG 4.3Å; L44-W73 HydrophobicContact CD1-CZ2 4.05Å; V46-W73 CarbonylContact C-O 3.55Å; V46-W73 WeakPolarHBondContact CA-O 3.32Å; V46-W73 HydrophobicContact CB-CB 4.42Å; V46-W73 HydrophobicContact CG1-CB 4.45Å; V46-W73 HydrophobicContact CG2-CB 3.92Å; H47-W73 PolarHBondContact N-O 2.93Å; I61-W73 HydrophobicContact CB-CE3 4.21Å; I61-W73 HydrophobicContact CD1-CB 4.38Å; I61-W73 HydrophobicContact CD1-CD2 4Å; I61-W73 HydrophobicContact CD1-CE3 3.62Å; I61-W73 HydrophobicContact CD1-CG 4.32Å; I61-W73 HydrophobicContact CD1-CZ3 4.27Å; I61-W73 HydrophobicContact CG1-CE3 3.66Å; I61-W73 HydrophobicContact CG1-CZ3 4.1Å; R62-W73 CarbonylContact O-C 3.58Å; R62-W73 VanDerWaalsContact O-CA 3.31Å; R62-W73 WeakPolarHBondContact O-CA 2.94Å; E63-W73 HydrophobicContact CG-CD2 4.09Å; E63-W73 HydrophobicContact CG-CE3 4.03Å; E63-W73 HydrophobicContact CG-CH2 3.3Å; E63-W73 HydrophobicContact CG-CZ2 3.36Å; E63-W73 HydrophobicContact CG-CZ3 3.66Å; E63-W73 WeakPolarHBondContact OE1-CZ2 3.38Å; C64-W73 VanDerWaalsContact SG-C 3.56Å
74T96.7Very high93.2Very high22 Ų2286.3 Ų86.314%0.13545%0.451CS..EExtended strand (participates in β ladder)trans-129.9148.3175.2-167.30000110.6H47 I61 R62 C64H47-T74 PolarHBondContact O-OG1 2.83Å; I61-T74 WeakPolarHBondContact CA-O 3.31Å; R62-T74 HydrophobicContact CG-CG2 3.47Å; R62-T74 VanDerWaalsContact CG-CG2 3.47Å; R62-T74 PolarHBondContact N-O 2.9Å; R62-T74 PolarHBondContact O-N 2.8Å; C64-T74 HydrophobicContact CB-CG2 4.01Å
75L97.1Very high93.1Very high26 Ų2688.7 Ų88.714%0.13646%0.461CS..EExtended strand (participates in β ladder)trans-61.4137.8172.8-175.466.8000109.9V46 H47 D48 C53 V59V46-L75 HydrophobicContact CG1-CB 4.41Å; H47-L75 WeakPolarHBondContact O-CB 3.32Å; H47-L75 PolarHBondContact O-N 3.08Å; D48-L75 HydrophobicContact CB-CD2 4.32Å; C53-L75 VanDerWaalsContact SG-CD1 3.58Å; C53-L75 WeakPolarHBondContact SG-CD2 3.47Å; V59-L75 HydrophobicContact CB-CD1 3.79Å; V59-L75 HydrophobicContact CG1-CD1 4Å
76V95.8Very high93Very high60 Ų6083.7 Ų83.736%0.36445%0.449SS..EExtended strand (participates in β ladder)trans-104-55.5170.6-179.40000109.6E60 R62E60-V76 HydrophobicContact CB-CB 4.36Å; E60-V76 HydrophobicContact CG-CB 4.31Å; E60-V76 WeakPolarHBondContact O-CB 3.24Å; E60-V76 PolarHBondContact O-N 3.33Å; R62-V76 HydrophobicContact CB-CG2 3.63Å; R62-V76 HydrophobicContact CG-CG2 3.54Å
77R95.4Very high92.8Very high128 Ų12882.8 Ų82.848%0.48344%0.438SS..EExtended strand (participates in β ladder)trans-160.7156.8176.561.7176.4-179.1-78.7-14.4111.2E60E60-R77 HydrophobicContact CB-CG 4.16Å; E60-R77 VanDerWaalsContact CD-NH2 3.3Å; E60-R77 PolarHBondContact N-O 2.71Å; E60-R77 PolarHBondContact O-N 2.66Å; E60-R77 IonicContact OE1-CZ 3.97Å; E60-R77 IonicContact OE1-NH2 3.18Å; E60-R77 PolarHBondContact OE1-NH2 3.37Å; E60-R77 IonicContact OE2-CZ 2.91Å; E60-R77 IonicContact OE2-NE 3.83Å; E60-R77 IonicContact OE2-NH1 2.64Å; E60-R77 PolarHBondContact OE2-NH1 2.81Å; E60-R77 IonicContact OE2-NH2 2.91Å; E60-R77 PolarHBondContact OE2-NH2 3.06Å
78V95.6Very high92.7Very high39 Ų3984 Ų8424%0.23644%0.444CS..EExtended strand (participates in β ladder)trans-79.6125164-172.50000108.2D57 V59 K81D57-V78 HydrophobicContact CB-CG1 4.23Å; V59-V78 HydrophobicContact CG1-CG1 4.4Å; V59-V78 HydrophobicContact CG1-CG2 4.25Å; V78-K81 HydrophobicContact CG1-CD 3.99Å; V78-K81 HydrophobicContact CG1-CG 4.08Å
79V95.3Very high92.6Very high71 Ų7185.6 Ų85.643%0.4345%0.446SS..EExtended strand (participates in β ladder)trans-87.8-46179.4179.90000110.3V58 E60V58-V79 HydrophobicContact CB-CB 4.42Å; V58-V79 HydrophobicContact CG1-CB 4.17Å; V58-V79 WeakPolarHBondContact O-CA 3.27Å; V58-V79 WeakPolarHBondContact O-CB 3.3Å; V58-V79 PolarHBondContact O-N 3.31Å; E60-V79 HydrophobicContact CB-CG2 3.98Å
80E95.4Very high92.4Very high121 Ų12177.2 Ų77.257%0.56542%0.415SS*.EExtended strand (participates in β ladder)trans-140.9129.6179.5-169.2-178.9159.700109D57 V58D57-E80 CarbonylContact C-O 3.57Å; D57-E80 WeakPolarHBondContact CA-O 3.4Å; V58-E80 HydrophobicContact CB-CB 3.9Å; V58-E80 HydrophobicContact CG2-CB 4.06Å; V58-E80 PolarHBondContact N-O 2.8Å; V58-E80 PolarHBondContact O-N 3.12Å; V58-E80 VanDerWaalsContact O-N 3.09Å
81K93.4Very high92.2Very high111 Ų11177.1 Ų77.148%0.48341%0.41SS..  trans-84.9139.3174.3-79.1-73.7-179.7-174.40109.6E52 D57 V78 V83E52-K81 PolarHBondContact O-NZ 2.93Å; D57-K81 WeakPolarHBondContact OD1-CA 3.28Å; D57-K81 WeakPolarHBondContact OD2-CD 3.36Å; D57-K81 IonicContact OD2-NZ 2.8Å; D57-K81 PolarHBondContact OD2-NZ 3.15Å; V78-K81 HydrophobicContact CG1-CD 3.99Å; V78-K81 HydrophobicContact CG1-CG 4.08Å; K81-V83 PolarHBondContact O-N 3.16Å
82A89.4Confident91.9Very high43 Ų4381.1 Ų81.136%0.35543%0.433SS..  trans-59.1128.4174.300000110.4D57 L84D57-A82 PolarHBondContact OD1-N 2.94Å; A82-L84 PolarHBondContact O-N 3.17Å
83V83Confident91.5Very high135 Ų13583.8 Ų83.882%0.81844%0.441SS*.  trans-76.2114.3169.2-173.80000106.9K81K81-V83 PolarHBondContact O-N 3.16Å
84L62.7Low90.9Very high236 Ų23690.2 Ų90.2100%1.23648%0.477SS*.  trans-740164-87160.8000110A82A82-L84 PolarHBondContact O-N 3.17Å

Retrieved 84 of 84 residues in 75.8 ms (Link to these results)