A0A087Y8A0_POEFO Loading...

BRICHOS domain containing 5

AlphaFold DB , UniProt , Accession A0A087Y8A0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 180 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
1Q36.9Very low49Very low252 Ų252138.5 Ų138.5100%1.17882%0.821SS**  0113.30-173.3152.716.200107.3
2G41.1Very low50.7Low81 Ų81132.3 Ų132.384%0.83580%0.796SS**  trans6379162.300000118.7
3E44.5Very low52.2Low209 Ų209135.2 Ų135.298%0.97779%0.791SS**  trans-98.2137.4146.1-93.1-176.994.600108.3
4G38.6Very low53.8Low74 Ų74128.9 Ų128.976%0.76376%0.763SS**  trans172.166.1178.800000111.3
5S48.5Very low55.4Low124 Ų124129.2 Ų129.287%0.86775%0.751SS**  trans-98.289.8164.1-157.80000107.3S7S5-S7 PolarHBondContact O-N 3.14Å
6D43.2Very low56.9Low163 Ų163131.4 Ų131.487%0.87274%0.743SS**  trans-81.199.3174.9-84.5-25.7000109.5A8D6-A8 PolarHBondContact O-N 3.07Å
7S49.5Very low58.5Low110 Ų110130.4 Ų130.477%0.76973%0.734SS**  trans-72.3107.3168.660.80000109.6S5 H9S5-S7 PolarHBondContact O-N 3.14Å; S7-H9 PolarHBondContact O-N 2.99Å
8A53.2Low60Low84 Ų84128 Ų12869%0.69473%0.726SS**  trans-69.491.6175.500000111.1D6 F10D6-A8 PolarHBondContact O-N 3.07Å; A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 4.32Å; A8-F10 PolarHBondContact O-N 3.29Å
9H55.9Low61.4Low172 Ų172124.7 Ų124.780%0.79671%0.706SS**  trans-81.891.5172.1-161.672.3000109.4S7 P11S7-H9 PolarHBondContact O-N 2.99Å; H9-P11 WeakPolarHBondContact O-CD 3.39Å
10F56.5Low62.7Low179 Ų179121.7 Ų121.779%0.78569%0.693SS**  trans-66.6122.9172.3-86.6-89.6000109.6A8 A12A8-F10 HydrophobicContact CB-CD2 4.44Å; A8-F10 HydrophobicContact CB-CE2 4.32Å; A8-F10 PolarHBondContact O-N 3.29Å; F10-A12 PolarHBondContact O-N 2.73Å
11P70.9Confident64Low76 Ų76118.2 Ų118.249%0.49468%0.679SS.*  trans-69.5111.1-179.626.5-31.5000108.8H9 K13 A14H9-P11 WeakPolarHBondContact O-CD 3.39Å; P11-K13 PolarHBondContact O-N 3.26Å; P11-A14 HydrophobicContact CG-CB 4.09Å; P11-A14 WeakPolarHBondContact O-CB 3.29Å; P11-A14 PolarHBondContact O-N 3.41Å
12A69.8Low66.6Low63 Ų63111.3 Ų111.352%0.52165%0.65SS.*Hα-helixtrans-47.9-30.3-179.900000113.1F10 A14 F15 W16F10-A12 PolarHBondContact O-N 2.73Å; A12-A14 PolarHBondContact O-N 3.16Å; A12-F15 WeakPolarHBondContact O-CB 3.46Å; A12-F15 PolarHBondContact O-N 3.2Å; A12-W16 PolarHBondContact O-N 3.2Å
13K69.5Low69Low170 Ų170113.1 Ų113.174%0.73964%0.64SS**Hα-helixtrans-59.8-40.6175.9-62.8-177.4178176.20113.3P11 F15 W16 I17P11-K13 PolarHBondContact O-N 3.26Å; K13-F15 VanDerWaalsContact C-N 3.35Å; K13-W16 PolarHBondContact O-N 2.86Å; K13-I17 WeakPolarHBondContact O-CD1 3.4Å; K13-I17 VanDerWaalsContact O-CG1 3.23Å; K13-I17 WeakPolarHBondContact O-CG1 3.46Å; K13-I17 PolarHBondContact O-N 3.39Å; K13-I17 VanDerWaalsContact O-N 3.1Å
14A74.8Confident71.3Confident48 Ų48108.6 Ų108.640%0.39762%0.622SS.*Hα-helixtrans-68.9-36.5177.600000111.4P11 A12 I17 C18P11-A14 HydrophobicContact CG-CB 4.09Å; P11-A14 WeakPolarHBondContact O-CB 3.29Å; P11-A14 PolarHBondContact O-N 3.41Å; A12-A14 PolarHBondContact O-N 3.16Å; A14-I17 PolarHBondContact O-N 3.16Å; A14-C18 WeakPolarHBondContact O-CB 3.34Å; A14-C18 PolarHBondContact O-N 2.9Å; A14-C18 PolarHBondContact O-SG 2.89Å; A14-C18 VanDerWaalsContact O-SG 3.42Å
15F78.3Confident73.7Confident133 Ų133110.8 Ų110.858%0.58362%0.615SS**Hα-helixtrans-61.3-45.8174176.2-98.6000111.7A12 K13 I17 C18 L19A12-F15 WeakPolarHBondContact O-CB 3.46Å; A12-F15 PolarHBondContact O-N 3.2Å; K13-F15 VanDerWaalsContact C-N 3.35Å; F15-I17 PolarHBondContact O-N 3.37Å; F15-C18 PolarHBondContact O-N 3.31Å; F15-L19 HydrophobicContact CE1-CD2 4.28Å; F15-L19 VanDerWaalsContact O-CB 3.29Å; F15-L19 WeakPolarHBondContact O-CB 3.44Å; F15-L19 PolarHBondContact O-N 3.44Å
16W78.6Confident75.7Confident165 Ų165108.6 Ų108.663%0.62560%0.596SS**Hα-helixtrans-65.6-37.5178.1-70.6113.3000113.3A12 K13 L19 S20A12-W16 PolarHBondContact O-N 3.2Å; K13-W16 PolarHBondContact O-N 2.86Å; W16-L19 HydrophobicContact CE3-CD2 4.03Å; W16-L19 HydrophobicContact CZ3-CD2 3.97Å; W16-L19 PolarHBondContact O-N 3.4Å; W16-S20 PolarHBondContact O-N 3.18Å
17I85.6Confident77.8Confident113 Ų113103.4 Ų103.458%0.57958%0.576SS**Hα-helixtrans-67.6-44.7176.9-67163.6000110.8K13 A14 F15 L19 S20 A21K13-I17 WeakPolarHBondContact O-CD1 3.4Å; K13-I17 VanDerWaalsContact O-CG1 3.23Å; K13-I17 WeakPolarHBondContact O-CG1 3.46Å; K13-I17 PolarHBondContact O-N 3.39Å; K13-I17 VanDerWaalsContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 3.16Å; F15-I17 PolarHBondContact O-N 3.37Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.01Å; I17-S20 PolarHBondContact O-N 3.12Å; I17-S20 PolarHBondContact O-OG 2.69Å; I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.92Å
18C84.4Confident79.6Confident88 Ų88104.8 Ų104.860%0.59557%0.572SS**Hα-helixtrans-62.7-41.7175.3-74.50000111.4A14 F15 A21 L22A14-C18 WeakPolarHBondContact O-CB 3.34Å; A14-C18 PolarHBondContact O-N 2.9Å; A14-C18 PolarHBondContact O-SG 2.89Å; A14-C18 VanDerWaalsContact O-SG 3.42Å; F15-C18 PolarHBondContact O-N 3.31Å; C18-A21 PolarHBondContact O-N 3.45Å; C18-L22 WeakPolarHBondContact O-CB 3.12Å; C18-L22 PolarHBondContact O-N 2.9Å
19L86.4Confident81Confident65 Ų65103.1 Ų103.134%0.3456%0.558SS.*Hα-helixtrans-63.4-42.4177.7-173.563.7000111.5F15 W16 I17 L22 L23F15-L19 HydrophobicContact CE1-CD2 4.28Å; F15-L19 VanDerWaalsContact O-CB 3.29Å; F15-L19 WeakPolarHBondContact O-CB 3.44Å; F15-L19 PolarHBondContact O-N 3.44Å; W16-L19 HydrophobicContact CE3-CD2 4.03Å; W16-L19 HydrophobicContact CZ3-CD2 3.97Å; W16-L19 PolarHBondContact O-N 3.4Å; I17-L19 VanDerWaalsContact C-N 3.32Å; I17-L19 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 2.86Å; L19-L23 PolarHBondContact O-N 3.12Å
20S88.2Confident82.2Confident65 Ų65101 Ų10146%0.45555%0.551SS.*Hα-helixtrans-67.1-40.8177.474.40000112.3W16 I17 L22 L23 L24W16-S20 PolarHBondContact O-N 3.18Å; I17-S20 PolarHBondContact O-N 3.12Å; I17-S20 PolarHBondContact O-OG 2.69Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-L23 PolarHBondContact O-N 2.88Å; S20-L24 PolarHBondContact O-N 3.16Å
21A89.6Confident83.3Confident48 Ų4894.7 Ų94.740%0.39754%0.535SS..Hα-helixtrans-63.1-41.7176.800000111.6I17 C18 L24 L25I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 2.92Å; C18-A21 PolarHBondContact O-N 3.45Å; A21-L24 PolarHBondContact O-N 3.4Å; A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 2.87Å; A21-L25 VanDerWaalsContact O-N 3.11Å
22L91.3Very high83.4Confident107 Ų10796.5 Ų96.556%0.5654%0.54SS*.Hα-helixtrans-63.5-43.5176.7-171.866.7000111.7C18 L19 S20 L24 L25 V26C18-L22 WeakPolarHBondContact O-CB 3.12Å; C18-L22 PolarHBondContact O-N 2.9Å; L19-L22 PolarHBondContact O-N 2.86Å; S20-L22 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 2.56Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 2.98Å; L22-V26 VanDerWaalsContact O-N 3.09Å
23L92.6Very high83.4Confident119 Ų11999.1 Ų99.162%0.62354%0.544SS*.Hα-helixtrans-63.8-40.4179.2-124.9130000112.2L19 S20 V26 A27L19-L23 PolarHBondContact O-N 3.12Å; S20-L23 PolarHBondContact O-N 2.88Å; L23-V26 PolarHBondContact O-N 2.9Å; L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 3.03Å
24L91.4Very high83.3Confident115 Ų11592.6 Ų92.660%0.60253%0.525SS*.Hα-helixtrans-62.5-43.4175-89.3160000112.1S20 A21 L22 V26 A27 M28S20-L24 PolarHBondContact O-N 3.16Å; A21-L24 PolarHBondContact O-N 3.4Å; L22-L24 PolarHBondContact O-N 2.98Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 3.35Å; L24-A27 PolarHBondContact O-N 2.86Å; L24-M28 WeakPolarHBondContact O-CB 3.22Å; L24-M28 VanDerWaalsContact O-CG 3.26Å; L24-M28 WeakPolarHBondContact O-CG 3.47Å; L24-M28 PolarHBondContact O-N 3.48Å
25L90.2Very high82.9Confident120 Ų12097.5 Ų97.563%0.62853%0.534SS*.Hα-helixtrans-62.2-41.9177.2-73.6170.2000111.9A21 L22 M28 A29A21-L25 WeakPolarHBondContact O-CG 3.35Å; A21-L25 PolarHBondContact O-N 2.87Å; A21-L25 VanDerWaalsContact O-N 3.11Å; L22-L25 PolarHBondContact O-N 2.56Å; L25-M28 PolarHBondContact O-N 2.63Å; L25-A29 WeakPolarHBondContact O-CB 3.1Å; L25-A29 PolarHBondContact O-N 2.79Å
26V89.5Confident82.2Confident77 Ų7796.3 Ų96.347%0.46753%0.533SS..Hα-helixtrans-64.2-44176.4173.90000111.2L22 L23 L24 M28 A29 M30L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 2.98Å; L22-V26 VanDerWaalsContact O-N 3.09Å; L23-V26 PolarHBondContact O-N 2.9Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-V26 PolarHBondContact O-N 3.35Å; V26-M28 PolarHBondContact O-N 3.12Å; V26-A29 PolarHBondContact O-N 3.37Å; V26-M30 HydrophobicContact CG1-CG 4.48Å; V26-M30 WeakPolarHBondContact O-CG 3.08Å; V26-M30 PolarHBondContact O-N 3.15Å
27A87.7Confident81.3Confident55 Ų5592.1 Ų92.146%0.45553%0.534SS..Hα-helixtrans-62.5-42.6177.700000112.2L23 L24 M30 G31L23-A27 WeakPolarHBondContact O-CB 3.33Å; L23-A27 PolarHBondContact O-N 3.03Å; L24-A27 PolarHBondContact O-N 2.86Å; A27-M30 PolarHBondContact O-N 2.82Å; A27-G31 PolarHBondContact O-N 3.34Å
28M87.8Confident80.1Confident139 Ų13994.1 Ų94.169%0.68555%0.545SS*.Hα-helixtrans-64.3-42.4176.2-70.4-67.3-73.800111.7L24 L25 V26 G31 L32L24-M28 WeakPolarHBondContact O-CB 3.22Å; L24-M28 VanDerWaalsContact O-CG 3.26Å; L24-M28 WeakPolarHBondContact O-CG 3.47Å; L24-M28 PolarHBondContact O-N 3.48Å; L25-M28 PolarHBondContact O-N 2.63Å; V26-M28 PolarHBondContact O-N 3.12Å; M28-G31 PolarHBondContact O-N 3.39Å; M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 PolarHBondContact O-N 2.86Å
29A82Confident78.8Confident48 Ų4893.6 Ų93.640%0.39754%0.539SS..Hα-helixtrans-63.6-45176.300000111.8L25 V26 L32 I33L25-A29 WeakPolarHBondContact O-CB 3.1Å; L25-A29 PolarHBondContact O-N 2.79Å; V26-A29 PolarHBondContact O-N 3.37Å; A29-L32 PolarHBondContact O-N 3.47Å; A29-I33 WeakPolarHBondContact O-CB 3.49Å; A29-I33 WeakPolarHBondContact O-CD1 3.39Å; A29-I33 WeakPolarHBondContact O-CG1 3.18Å; A29-I33 PolarHBondContact O-N 3.05Å
30M82.1Confident76.9Confident129 Ų12991.8 Ų91.864%0.63554%0.536SS*.Hα-helixtrans-64.8-39175.8-69.8-155.4-58.100112.4V26 A27 I33 G34V26-M30 HydrophobicContact CG1-CG 4.48Å; V26-M30 WeakPolarHBondContact O-CG 3.08Å; V26-M30 PolarHBondContact O-N 3.15Å; A27-M30 PolarHBondContact O-N 2.82Å; M30-I33 PolarHBondContact O-N 2.72Å; M30-G34 PolarHBondContact O-N 2.86Å
31G78.7Confident75.1Confident45 Ų4595 Ų9546%0.46456%0.555SS.*Hα-helixtrans-62.8-42.2174.200000112.3A27 M28 Y35A27-G31 PolarHBondContact O-N 3.34Å; M28-G31 PolarHBondContact O-N 3.39Å; G31-Y35 WeakPolarHBondContact O-CB 3.46Å; G31-Y35 PolarHBondContact O-N 3.17Å
32L72.6Confident73Confident114 Ų11495.3 Ų95.360%0.59756%0.564SS**Hα-helixtrans-68.2-41.8177.8-147.979.7000111.7M28 A29 L36M28-L32 WeakPolarHBondContact O-CB 3.48Å; M28-L32 PolarHBondContact O-N 2.86Å; A29-L32 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CG-CD1 4.47Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.01Å; L32-L36 PolarHBondContact O-N 2.68Å
33I70.7Confident70.8Confident119 Ų11996.2 Ų96.261%0.6158%0.579SS**Hα-helixtrans-66.6-42.7176.6-65.7162.9000110.6A29 M30 L36 A37A29-I33 WeakPolarHBondContact O-CB 3.49Å; A29-I33 WeakPolarHBondContact O-CD1 3.39Å; A29-I33 WeakPolarHBondContact O-CG1 3.18Å; A29-I33 PolarHBondContact O-N 3.05Å; M30-I33 PolarHBondContact O-N 2.72Å; I33-L36 PolarHBondContact O-N 2.87Å; I33-A37 VanDerWaalsContact O-CB 3.29Å; I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.04Å
34G66.9Low68.5Low32 Ų3295.3 Ų95.333%0.3358%0.579SS.*Hα-helixtrans-65.5-43176.400000112.5M30 A37 L38M30-G34 PolarHBondContact O-N 2.86Å; G34-A37 PolarHBondContact O-N 2.91Å; G34-L38 WeakPolarHBondContact O-CB 3.41Å; G34-L38 WeakPolarHBondContact O-CD1 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.48Å; G34-L38 PolarHBondContact O-N 3.2Å
35Y67.1Low66.2Low152 Ų15294.4 Ų94.460%0.59659%0.588SS**Hα-helixtrans-61.5-47.4174-178-99000111G31 A37 L38 T39G31-Y35 WeakPolarHBondContact O-CB 3.46Å; G31-Y35 PolarHBondContact O-N 3.17Å; Y35-A37 VanDerWaalsContact C-N 3.3Å; Y35-A37 PolarHBondContact O-N 2.03Å; Y35-L38 PolarHBondContact O-N 2.84Å; Y35-T39 HydrophobicContact CD1-CG2 4.36Å; Y35-T39 HydrophobicContact CD2-CG2 4.45Å; Y35-T39 HydrophobicContact CE1-CG2 3.99Å; Y35-T39 HydrophobicContact CE2-CG2 4.09Å; Y35-T39 WeakPolarHBondContact O-CG2 2.86Å; Y35-T39 PolarHBondContact O-N 2.87Å; Y35-T39 PolarHBondContact O-OG1 3.21Å
36L63Low64.1Low107 Ų10793.4 Ų93.456%0.5658%0.583SS**Hα-helixtrans-65.3-29.7176.9-71.9170.5000113.5L32 I33 T39 G40L32-L36 HydrophobicContact CG-CD1 4.47Å; L32-L36 VanDerWaalsContact O-CB 3.28Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.01Å; L32-L36 PolarHBondContact O-N 2.68Å; I33-L36 PolarHBondContact O-N 2.87Å; L36-T39 WeakPolarHBondContact CA-OG1 3.37Å; L36-T39 CarbonylContact O-C 3.6Å; L36-G40 VanDerWaalsContact O-CA 3.31Å; L36-G40 WeakPolarHBondContact O-CA 3.35Å; L36-G40 PolarHBondContact O-N 2.86Å
37A59.5Low62.3Low78 Ų7895.7 Ų95.765%0.64559%0.588SS**Hα-helixtrans-74.8-35174.500000112.3I33 G34 Y35 G40I33-A37 VanDerWaalsContact O-CB 3.29Å; I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.04Å; G34-A37 PolarHBondContact O-N 2.91Å; Y35-A37 VanDerWaalsContact C-N 3.3Å; Y35-A37 PolarHBondContact O-N 2.03Å; A37-G40 PolarHBondContact O-N 3.2Å
38L60.3Low60.3Low155 Ų15596.7 Ų96.781%0.81259%0.589SS**Hα-helixtrans-75.4-31.1173.9-74.9159.2000112.5G34 Y35G34-L38 WeakPolarHBondContact O-CB 3.41Å; G34-L38 WeakPolarHBondContact O-CD1 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.48Å; G34-L38 PolarHBondContact O-N 3.2Å; Y35-L38 PolarHBondContact O-N 2.84Å
39T56.7Low58.3Low76 Ų7690.6 Ų90.647%0.46656%0.559SS.*SBendtrans-95.59171.865.40000112.9Y35 L36Y35-T39 HydrophobicContact CD1-CG2 4.36Å; Y35-T39 HydrophobicContact CD2-CG2 4.45Å; Y35-T39 HydrophobicContact CE1-CG2 3.99Å; Y35-T39 HydrophobicContact CE2-CG2 4.09Å; Y35-T39 WeakPolarHBondContact O-CG2 2.86Å; Y35-T39 PolarHBondContact O-N 2.87Å; Y35-T39 PolarHBondContact O-OG1 3.21Å; L36-T39 WeakPolarHBondContact CA-OG1 3.37Å; L36-T39 CarbonylContact O-C 3.6Å
40G48Very low56.8Low27 Ų2793.7 Ų93.728%0.27856%0.561SS.*SBendtrans-55.8149.8172.200000108.6L36 A37 G42L36-G40 VanDerWaalsContact O-CA 3.31Å; L36-G40 WeakPolarHBondContact O-CA 3.35Å; L36-G40 PolarHBondContact O-N 2.86Å; A37-G40 PolarHBondContact O-N 3.2Å; G40-G42 VanDerWaalsContact C-N 3.31Å; G40-G42 PolarHBondContact O-N 2.8Å
41P48.4Very low55.4Low132 Ų13289 Ų8986%0.85754%0.538SS*.  trans-55.6101.6-175.123-30.9000107.6S43P41-S43 PolarHBondContact O-N 3.47Å; P41-S43 VanDerWaalsContact O-N 3.12Å
42G46.1Very low53.7Low56 Ų5689.8 Ų89.858%0.57753%0.534SS*.  trans-53.4126.8-172.700000106.3G40 T44G40-G42 VanDerWaalsContact C-N 3.31Å; G40-G42 PolarHBondContact O-N 2.8Å; G42-T44 WeakPolarHBondContact O-CA 3.39Å; G42-T44 PolarHBondContact O-N 2.85Å
43S45.9Very low52.5Low125 Ų12586 Ų8687%0.87452%0.519SS*.  trans-45.194.1177.9-380000107.7P41 A45P41-S43 PolarHBondContact O-N 3.47Å; P41-S43 VanDerWaalsContact O-N 3.12Å; S43-A45 PolarHBondContact O-N 2.9Å
44T43.3Very low51.2Low101 Ų10182.9 Ų82.962%0.6251%0.507SS*.  trans-69.6114.1-175.3240000103.8G42 L46 A151G42-T44 WeakPolarHBondContact O-CA 3.39Å; G42-T44 PolarHBondContact O-N 2.85Å; T44-L46 PolarHBondContact O-N 3.04Å; T44-A151 HydrophobicContact CG2-CB 4.28Å
45A43.3Very low50.2Low96 Ų9685.3 Ų85.379%0.79351%0.512SS*.  trans-6088.9171.700000107S43 Q47S43-A45 PolarHBondContact O-N 2.9Å; A45-Q47 PolarHBondContact O-N 2.82Å
46L46.4Very low48.9Very low99 Ų9986 Ų8652%0.51852%0.521SS..  trans-63.395.8169.3-86.7166.5000105T44 T48T44-L46 PolarHBondContact O-N 3.04Å; L46-T48 PolarHBondContact O-N 2.81Å; L46-T48 PolarHBondContact O-OG1 3.45Å
47Q51.3Low47.8Very low125 Ų12586.1 Ų86.158%0.58453%0.526SS*.EExtended strand (participates in β ladder)trans-70.296.1168.7-165.6170.217.800105.9A45 V49 V149A45-Q47 PolarHBondContact O-N 2.82Å; Q47-V49 PolarHBondContact O-N 2.84Å; Q47-V149 PolarHBondContact O-N 2.8Å
48T46.7Very low47.1Very low75 Ų7585.5 Ų85.546%0.4653%0.527SS..EExtended strand (participates in β ladder)trans-70.2112.2177.3-46.90000107.9L46 F146L46-T48 PolarHBondContact O-N 2.81Å; L46-T48 PolarHBondContact O-OG1 3.45Å; T48-F146 HydrophobicContact CG2-CB 3.65Å; T48-F146 HydrophobicContact CG2-CD1 3.63Å; T48-F146 HydrophobicContact CG2-CG 4.02Å
49V46Very low46.6Very low12 Ų1281.1 Ų81.17%0.07351%0.507CS..EExtended strand (participates in β ladder)trans-90.1121.3171.4176.30000107.4Q47 L51 F108 L147 V149Q47-V49 PolarHBondContact O-N 2.84Å; V49-L51 PolarHBondContact O-N 2.77Å; V49-F108 HydrophobicContact CB-CE1 4.24Å; V49-F108 HydrophobicContact CB-CZ 4.28Å; V49-F108 HydrophobicContact CG1-CE1 4.08Å; V49-F108 HydrophobicContact CG1-CE2 3.98Å; V49-F108 HydrophobicContact CG1-CZ 3.64Å; V49-F108 HydrophobicContact CG2-CE1 3.84Å; V49-F108 HydrophobicContact CG2-CZ 4Å; V49-L147 PolarHBondContact N-O 2.92Å; V49-L147 PolarHBondContact O-N 3.47Å; V49-V149 HydrophobicContact CB-CG2 4.3Å; V49-V149 HydrophobicContact CG2-CG2 3.44Å; V49-V149 VanDerWaalsContact CG2-CG2 3.44Å
50R49.4Very low46.5Very low113 Ų11385 Ų8543%0.42652%0.524SS..EExtended strand (participates in β ladder)trans-77115.2171.8-173.6-178.3175.7172.7-4.4108.2T52 T144 F146R50-T52 VanDerWaalsContact C-N 3.31Å; R50-T52 WeakPolarHBondContact CD-OG1 3.3Å; R50-T52 WeakPolarHBondContact CG-OG1 3.29Å; R50-T52 PolarHBondContact O-N 2.86Å; R50-T52 PolarHBondContact O-OG1 3.35Å; R50-T144 HydrophobicContact CG-CG2 3.99Å; R50-F146 HydrophobicContact CB-CE1 4.42Å; R50-F146 HydrophobicContact CG-CE1 4.23Å
51L52.1Low47.2Very low29 Ų2984.2 Ų84.215%0.15251%0.513CS..EExtended strand (participates in β ladder)trans-71.594.4161.4-63.2179.8000107.4V49 A53 Y99 R145 L147V49-L51 PolarHBondContact O-N 2.77Å; L51-A53 PolarHBondContact O-N 2.76Å; L51-Y99 HydrophobicContact CD2-CD1 3.02Å; L51-Y99 HydrophobicContact CD2-CE1 3.1Å; L51-Y99 HydrophobicContact CD2-CG 3.79Å; L51-Y99 HydrophobicContact CG-CD1 4.47Å; L51-Y99 HydrophobicContact CG-CE1 4.48Å; L51-R145 WeakPolarHBondContact CB-O 3.5Å; L51-R145 HydrophobicContact CD1-CB 4.04Å; L51-R145 PolarHBondContact N-O 3.2Å; L51-R145 VanDerWaalsContact N-O 3.16Å; L51-L147 HydrophobicContact CD1-CD1 3.51Å; L51-L147 HydrophobicContact CD1-CD2 4.37Å; L51-L147 HydrophobicContact CD1-CG 3.69Å; L51-L147 HydrophobicContact CD2-CD1 3.86Å; L51-L147 HydrophobicContact CD2-CG 4.5Å; L51-L147 HydrophobicContact CG-CD1 3.78Å; L51-L147 HydrophobicContact CG-CG 3.92Å
52T44.6Very low48.3Very low63 Ų6381.9 Ų81.939%0.38749%0.494SS..  trans-89.995.4179.4-39.20000107.9R50R50-T52 VanDerWaalsContact C-N 3.31Å; R50-T52 WeakPolarHBondContact CD-OG1 3.3Å; R50-T52 WeakPolarHBondContact CG-OG1 3.29Å; R50-T52 PolarHBondContact O-N 2.86Å; R50-T52 PolarHBondContact O-OG1 3.35Å
53A46.4Very low49.7Very low35 Ų3579.5 Ų79.529%0.28947%0.467SS..PPolyproline II helixtrans-66.8131.7151.100000106.4L51L51-A53 PolarHBondContact O-N 2.76Å
54P44.7Very low51.5Low53 Ų5375.8 Ų75.834%0.34444%0.439SS..PPolyproline II helixtrans-57.4150.3-172.2-21.128.9000113.3L61 A80P54-L61 HydrophobicContact CB-CD2 4.16Å; P54-L61 HydrophobicContact CG-CD2 3.85Å; P54-A80 HydrophobicContact CG-CB 3.75Å
55D44.3Very low53.5Low82 Ų8271 Ų7144%0.43941%0.41SS..PPolyproline II helixtrans-77.4165.8-151.1-162.319.3000115.7T57D55-T57 PolarHBondContact O-N 3.26Å; D55-T57 PolarHBondContact O-OG1 3.25Å
56Q40.4Very low55.6Low167 Ų16769 Ų6978%0.7839%0.388SS*.SBendtrans-35.910.4-178.1-69.5160.666.400120.9G58Q56-G58 PolarHBondContact O-N 3.04Å
57T40.9Very low57.6Low110 Ų11064.6 Ų64.668%0.67537%0.365SS*.SBendtrans-90.810.1-169.848.50000115.4D55 V59D55-T57 PolarHBondContact O-N 3.26Å; D55-T57 PolarHBondContact O-OG1 3.25Å; T57-V59 PolarHBondContact O-N 3.46Å; T57-V59 WeakPolarHBondContact OG1-CG2 3.38Å
58G43.8Very low59.3Low65 Ų6561.1 Ų61.167%0.6735%0.35SS*.  trans69.29.4-177.100000114.3Q56 L60Q56-G58 PolarHBondContact O-N 3.04Å; G58-L60 PolarHBondContact O-N 3.2Å
59V50.4Low61.2Low62 Ų6259.9 Ų59.938%0.37634%0.344SS..  trans-61.9124.2171177.50000108.6T57 L61 A81 R142T57-V59 PolarHBondContact O-N 3.46Å; T57-V59 WeakPolarHBondContact OG1-CG2 3.38Å; V59-L61 PolarHBondContact O-N 3.06Å; V59-A81 HydrophobicContact CG1-CB 3.77Å; V59-R142 PolarHBondContact O-NH2 3.44Å; V59-R142 VanDerWaalsContact O-NH2 3.16Å
60L53.5Low63.2Low158 Ų15866 Ų6683%0.82737%0.372SS*.  trans-65.6111.2176.3-171.769.6000108.3G58G58-L60 PolarHBondContact O-N 3.2Å
61L62.9Low65.1Low11 Ų1165.2 Ų65.26%0.05838%0.376CS..  trans-83.1127.5171.2-69.5169.1000107.4P54 V59 Q63 I78 A80P54-L61 HydrophobicContact CB-CD2 4.16Å; P54-L61 HydrophobicContact CG-CD2 3.85Å; V59-L61 PolarHBondContact O-N 3.06Å; L61-Q63 HydrophobicContact CB-CG 4.1Å; L61-Q63 PolarHBondContact O-N 2.78Å; L61-I78 HydrophobicContact CB-CG2 4.37Å; L61-I78 HydrophobicContact CD1-CG2 4.25Å; L61-I78 HydrophobicContact CD2-CG2 4.3Å; L61-A80 HydrophobicContact CD2-CB 4.35Å
62N71.1Confident66.9Low83 Ų8368.3 Ų68.344%0.44439%0.389SS..EExtended strand (participates in β ladder)trans-81.2116.8172-167.74.6000108.1T79 Q134N62-T79 PolarHBondContact N-O 2.87Å; N62-T79 PolarHBondContact O-N 2.82Å; N62-Q134 PolarHBondContact OD1-NE2 2.89Å
63Q76.6Confident69.1Low6 Ų666.2 Ų66.23%0.02838%0.376CS..EExtended strand (participates in β ladder)trans-123128.1-173.3-63.1177.5-13.400109.4L61 S77 I78 L135 T140L61-Q63 HydrophobicContact CB-CG 4.1Å; L61-Q63 PolarHBondContact O-N 2.78Å; Q63-S77 WeakPolarHBondContact CA-O 3.27Å; Q63-I78 HydrophobicContact CG-CG1 4.3Å; Q63-I78 HydrophobicContact CG-CG2 4.3Å; Q63-L135 HydrophobicContact CB-CB 4.15Å; Q63-L135 PolarHBondContact O-N 3.32Å; Q63-T140 PolarHBondContact NE2-OG1 2.76Å; Q63-T140 PolarHBondContact OE1-OG1 3.09Å
64T83.3Confident71.2Confident46 Ų4664.6 Ų64.628%0.28236%0.362SS..EExtended strand (participates in β ladder)trans-128.5148.6175.558.40000110L76 S77 V133T64-L76 CarbonylContact O-C 3.55Å; T64-L76 WeakPolarHBondContact O-CA 3.38Å; T64-S77 PolarHBondContact N-O 2.79Å; T64-S77 PolarHBondContact O-N 3.07Å; T64-V133 CarbonylContact C-O 3.58Å; T64-V133 WeakPolarHBondContact CA-O 3.39Å
65A84.8Confident73.4Confident1 Ų163.8 Ų63.81%0.00836%0.356CS..EExtended strand (participates in β ladder)trans-118.2132.2169.600000109L67 T75 L76 V133 L135A65-L67 HydrophobicContact CB-CD2 4.38Å; A65-T75 CarbonylContact C-O 3.55Å; A65-T75 VanDerWaalsContact CA-O 3.29Å; A65-T75 WeakPolarHBondContact CA-O 3.4Å; A65-L76 HydrophobicContact CB-CD2 3.52Å; A65-V133 HydrophobicContact CB-CB 4.37Å; A65-V133 PolarHBondContact N-O 2.99Å; A65-V133 PolarHBondContact O-N 3.13Å; A65-L135 HydrophobicContact CB-CD1 3.78Å; A65-L135 HydrophobicContact CB-CD2 4.32Å; A65-L135 HydrophobicContact CB-CG 3.98Å
66V88Confident75.5Confident53 Ų5360.5 Ų60.532%0.32134%0.339SS..EExtended strand (participates in β ladder)trans-102116.7166-1680000106.9T75 D132V66-T75 PolarHBondContact N-O 2.95Å; V66-T75 PolarHBondContact O-N 2.65Å; V66-D132 VanDerWaalsContact CG2-OD1 3.24Å; V66-D132 WeakPolarHBondContact CG2-OD1 3.31Å
67L88.6Confident77.8Confident8 Ų853.8 Ų53.84%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-98.1123177.9-55.8-178.7000109.3A65 V74 L123 Q128 G131 V133A65-L67 HydrophobicContact CB-CD2 4.38Å; L67-V74 HydrophobicContact CD2-CB 4.46Å; L67-V74 HydrophobicContact CD2-CG1 3.94Å; L67-V74 HydrophobicContact CD2-CG2 3.96Å; L67-L123 HydrophobicContact CD2-CB 4.23Å; L67-Q128 HydrophobicContact CD1-CB 4.28Å; L67-G131 PolarHBondContact N-O 3.36Å; L67-V133 HydrophobicContact CD1-CG2 4.19Å
68D87.8Confident79.7Confident52 Ų5250 Ų5028%0.27829%0.285SS..EExtended strand (participates in β ladder)trans-124.783.1170.7-177.7-7.7000109.4Q70 N71 H72 L73D68-Q70 PolarHBondContact O-N 2.96Å; D68-Q70 PolarHBondContact OD1-N 2.89Å; D68-N71 PolarHBondContact O-N 3.19Å; D68-N71 PolarHBondContact OD1-N 3.26Å; D68-N71 PolarHBondContact OD1-ND2 3.31Å; D68-N71 WeakPolarHBondContact OD2-CB 3.35Å; D68-N71 PolarHBondContact OD2-ND2 3.05Å; D68-H72 WeakPolarHBondContact O-CA 3.45Å; D68-H72 PolarHBondContact O-N 3.05Å; D68-L73 HydrophobicContact CB-CB 4.21Å; D68-L73 PolarHBondContact N-O 3.21Å; D68-L73 PolarHBondContact O-N 2.86Å
69P85.9Confident81.6Confident49 Ų4948.7 Ų48.732%0.31826%0.264SS..THydrogen-bonded Turntrans-62.5-29.3179.7-21.333.1000112.9H72 L124 Q130P69-H72 PolarHBondContact O-N 3.02Å; P69-H72 PolarHBondContact O-ND1 2.77Å; P69-L124 HydrophobicContact CB-CD2 4.34Å; P69-L124 HydrophobicContact CG-CD2 4.11Å; P69-Q130 HydrophobicContact CG-CG 4.31Å
70Q87.1Confident82.7Confident141 Ų14146.8 Ų46.866%0.65926%0.255SS*.THydrogen-bonded Turntrans-66.3-42.4-178.2-64.6-66.8-1.500110.9D68 H72D68-Q70 PolarHBondContact O-N 2.96Å; D68-Q70 PolarHBondContact OD1-N 2.89Å; Q70-H72 PolarHBondContact O-ND1 3.48Å
71N89.3Confident83.4Confident96 Ų9643.3 Ų43.351%0.51325%0.249SC..THydrogen-bonded Turntrans-94.20.2177.3-61.8-62.3000113.6D68 L73D68-N71 PolarHBondContact O-N 3.19Å; D68-N71 PolarHBondContact OD1-N 3.26Å; D68-N71 PolarHBondContact OD1-ND2 3.31Å; D68-N71 WeakPolarHBondContact OD2-CB 3.35Å; D68-N71 PolarHBondContact OD2-ND2 3.05Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-L73 HydrophobicContact CB-CD1 3.82Å; N71-L73 HydrophobicContact CB-CG 3.95Å
72H90.8Very high83.8Confident93 Ų9345.4 Ų45.443%0.43127%0.273SS..THydrogen-bonded Turntrans61.442.9179.8-52.413.2000111.9D68 P69 Q70 V92 K93D68-H72 WeakPolarHBondContact O-CA 3.45Å; D68-H72 PolarHBondContact O-N 3.05Å; P69-H72 PolarHBondContact O-N 3.02Å; P69-H72 PolarHBondContact O-ND1 2.77Å; Q70-H72 PolarHBondContact O-ND1 3.48Å; H72-V92 HydrophobicContact CB-CB 4.14Å; H72-V92 WeakPolarHBondContact O-CB 3.49Å; H72-V92 WeakPolarHBondContact O-CG2 3.24Å; H72-V92 PolarHBondContact O-N 3.31Å; H72-K93 HydrophobicContact CB-CB 4.19Å
73L91.5Very high84.1Confident20 Ų2048.3 Ų48.311%0.10529%0.289CS..EExtended strand (participates in β ladder)trans-115.4142.5-178.3-53.6171.1000110.9D68 N71 L89 F90 D91 P163D68-L73 HydrophobicContact CB-CB 4.21Å; D68-L73 PolarHBondContact N-O 3.21Å; D68-L73 PolarHBondContact O-N 2.86Å; N71-L73 VanDerWaalsContact C-N 3.34Å; N71-L73 HydrophobicContact CB-CD1 3.82Å; N71-L73 HydrophobicContact CB-CG 3.95Å; L73-L89 HydrophobicContact CB-CD1 4.38Å; L73-L89 HydrophobicContact CD2-CD1 4.46Å; L73-F90 WeakPolarHBondContact CA-O 3.44Å; L73-D91 HydrophobicContact CD2-CB 4.06Å; L73-P163 HydrophobicContact CD1-CG 3.39Å; L73-P163 HydrophobicContact CD2-CG 4.05Å; L73-P163 HydrophobicContact CG-CG 4.34Å
74V90.1Very high84.4Confident0 Ų053 Ų530%031%0.31CS..EExtended strand (participates in β ladder)trans-129.7121.7167.2176.90000107.8L67 L76 F90 V120 L123 L124L67-V74 HydrophobicContact CD2-CB 4.46Å; L67-V74 HydrophobicContact CD2-CG1 3.94Å; L67-V74 HydrophobicContact CD2-CG2 3.96Å; V74-L76 HydrophobicContact CG1-CD2 3.9Å; V74-L76 HydrophobicContact CG1-CG 4.33Å; V74-F90 HydrophobicContact CB-CB 4.22Å; V74-F90 HydrophobicContact CB-CD2 4.23Å; V74-F90 HydrophobicContact CG1-CD2 4.29Å; V74-F90 PolarHBondContact N-O 3.12Å; V74-F90 VanDerWaalsContact N-O 3.09Å; V74-F90 PolarHBondContact O-N 3.41Å; V74-V120 HydrophobicContact CG2-CB 4.23Å; V74-L123 HydrophobicContact CG1-CD1 4.16Å; V74-L124 HydrophobicContact CG2-CD1 4.22Å; V74-L124 HydrophobicContact CG2-CD2 3.76Å; V74-L124 HydrophobicContact CG2-CG 3.87Å
75T91.4Very high84.5Confident36 Ų3653.3 Ų53.322%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-112.6113.8177.4-52.80000109.6A65 V66 T87 V88 L89A65-T75 CarbonylContact C-O 3.55Å; A65-T75 VanDerWaalsContact CA-O 3.29Å; A65-T75 WeakPolarHBondContact CA-O 3.4Å; V66-T75 PolarHBondContact N-O 2.95Å; V66-T75 PolarHBondContact O-N 2.65Å; T75-T87 HydrophobicContact CG2-CG2 3.59Å; T75-V88 CarbonylContact C-O 3.59Å; T75-V88 WeakPolarHBondContact CA-O 3.4Å; T75-L89 VanDerWaalsContact OG1-CD1 3.27Å; T75-L89 WeakPolarHBondContact OG1-CD1 3.46Å
76L88.1Confident84.7Confident14 Ų1454.1 Ų54.17%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-97.6128.6174.2-53.8-176.2000109.6T64 A65 V74 T87 V88 F90 L135T64-L76 CarbonylContact O-C 3.55Å; T64-L76 WeakPolarHBondContact O-CA 3.38Å; A65-L76 HydrophobicContact CB-CD2 3.52Å; V74-L76 HydrophobicContact CG1-CD2 3.9Å; V74-L76 HydrophobicContact CG1-CG 4.33Å; L76-T87 CarbonylContact O-C 3.49Å; L76-T87 VanDerWaalsContact O-CA 3.3Å; L76-T87 WeakPolarHBondContact O-CA 3.45Å; L76-V88 HydrophobicContact CB-CB 4.32Å; L76-V88 PolarHBondContact N-O 3.28Å; L76-V88 PolarHBondContact O-N 2.86Å; L76-F90 HydrophobicContact CD1-CE2 3.73Å; L76-F90 HydrophobicContact CD1-CZ 4.45Å; L76-F90 HydrophobicContact CG-CE2 4.03Å; L76-L135 HydrophobicContact CD2-CD1 3.83Å
77S87.3Confident84.8Confident25 Ų2552.5 Ų52.518%0.17531%0.309CS..EExtended strand (participates in β ladder)trans-115.9126.7173.8-64.10000109.9Q63 T64Q63-S77 WeakPolarHBondContact CA-O 3.27Å; T64-S77 PolarHBondContact N-O 2.79Å; T64-S77 PolarHBondContact O-N 3.07Å
78I82.8Confident85Confident31 Ų3153.3 Ų53.316%0.15931%0.314CS..EExtended strand (participates in β ladder)trans-121110.3-177.3-56.8165.3000107.5L61 Q63 T85 S86L61-I78 HydrophobicContact CB-CG2 4.37Å; L61-I78 HydrophobicContact CD1-CG2 4.25Å; L61-I78 HydrophobicContact CD2-CG2 4.3Å; Q63-I78 HydrophobicContact CG-CG1 4.3Å; Q63-I78 HydrophobicContact CG-CG2 4.3Å; I78-T85 WeakPolarHBondContact O-CA 3.47Å; I78-S86 PolarHBondContact N-O 3.35Å; I78-S86 PolarHBondContact O-N 3.4Å
79T82.1Confident85.3Confident37 Ų3751 Ų5123%0.22730%0.302CS..EExtended strand (participates in β ladder)trans-102.7121.5-179.6-53.80000110.3N62 Q84 T85N62-T79 PolarHBondContact N-O 2.87Å; N62-T79 PolarHBondContact O-N 2.82Å; T79-Q84 WeakPolarHBondContact CA-O 3.44Å; T79-T85 PolarHBondContact OG1-OG1 3.13Å
80A74.9Confident85.7Confident22 Ų2249.1 Ų49.118%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-83.2160.6176.400000112.1P54 L61 G82 N83 Q84P54-A80 HydrophobicContact CG-CB 3.75Å; L61-A80 HydrophobicContact CD2-CB 4.35Å; A80-G82 PolarHBondContact O-N 2.83Å; A80-N83 PolarHBondContact O-N 2.93Å; A80-N83 VanDerWaalsContact O-N 3.07Å; A80-Q84 PolarHBondContact N-O 2.96Å
81A66.6Low86Confident85 Ų8542.6 Ų42.670%0.70226%0.258SS*.THydrogen-bonded Turntrans-61106.5167.600000108.7V59V59-A81 HydrophobicContact CG1-CB 3.77Å
82G71.3Confident86.2Confident55 Ų5539.4 Ų39.457%0.56724%0.242SC*.THydrogen-bonded Turntrans1276.3-167.200000114.6A80 Q84A80-G82 PolarHBondContact O-N 2.83Å; G82-Q84 PolarHBondContact O-N 3.09Å; G82-Q84 VanDerWaalsContact O-N 3.14Å
83N78.6Confident86.3Confident144 Ų14442 Ų4277%0.7725%0.252SS*.THydrogen-bonded Turntrans5924.6176.8-61.1-15.5000114A80A80-N83 PolarHBondContact O-N 2.93Å; A80-N83 VanDerWaalsContact O-N 3.07Å
84Q81.9Confident86.5Confident104 Ų10445.3 Ų45.349%0.48627%0.267SS..EExtended strand (participates in β ladder)trans-90.3116.2173.1-66.6-58.6-37.400108.2T79 A80 G82 A102T79-Q84 WeakPolarHBondContact CA-O 3.44Å; A80-Q84 PolarHBondContact N-O 2.96Å; G82-Q84 PolarHBondContact O-N 3.09Å; G82-Q84 VanDerWaalsContact O-N 3.14Å; Q84-A102 HydrophobicContact CB-CB 3.74Å
85T85.8Confident86.8Confident54 Ų5445.6 Ų45.633%0.33127%0.269SS..EExtended strand (participates in β ladder)trans-109.7121.1-177.1-54.90000110.2I78 T79 A102I78-T85 WeakPolarHBondContact O-CA 3.47Å; T79-T85 PolarHBondContact OG1-OG1 3.13Å; T85-A102 WeakPolarHBondContact O-CA 3.35Å; T85-A102 VanDerWaalsContact O-CB 3.29Å; T85-A102 WeakPolarHBondContact O-CB 3.34Å
86S88.6Confident86.9Confident18 Ų1845.6 Ų45.613%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-97.7145168.4-580000109.7I78 Q100 A102I78-S86 PolarHBondContact N-O 3.35Å; I78-S86 PolarHBondContact O-N 3.4Å; S86-Q100 CarbonylContact C-O 3.6Å; S86-Q100 WeakPolarHBondContact CA-O 3.44Å; S86-A102 PolarHBondContact OG-N 2.67Å; S86-A102 VanDerWaalsContact OG-N 3.16Å
87T91.5Very high87.2Confident19 Ų1945.4 Ų45.412%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-124.3135.3-176.7-56.90000110.7T75 L76 Y99 Q100 L167T75-T87 HydrophobicContact CG2-CG2 3.59Å; L76-T87 CarbonylContact O-C 3.49Å; L76-T87 VanDerWaalsContact O-CA 3.3Å; L76-T87 WeakPolarHBondContact O-CA 3.45Å; T87-Y99 WeakPolarHBondContact O-CD2 3.44Å; T87-Q100 PolarHBondContact N-O 3.39Å; T87-Q100 PolarHBondContact O-N 3.04Å; T87-L167 HydrophobicContact CG2-CD1 3.65Å
88V91.4Very high87.5Confident25 Ų2544.2 Ų44.215%0.15226%0.259CS..EExtended strand (participates in β ladder)trans-118.4117.8170.7-173.80000107.7T75 L76 F90 I97 C98 Y99T75-V88 CarbonylContact C-O 3.59Å; T75-V88 WeakPolarHBondContact CA-O 3.4Å; L76-V88 HydrophobicContact CB-CB 4.32Å; L76-V88 PolarHBondContact N-O 3.28Å; L76-V88 PolarHBondContact O-N 2.86Å; V88-F90 HydrophobicContact CB-CE2 4.2Å; V88-F90 HydrophobicContact CG1-CD2 4.09Å; V88-F90 HydrophobicContact CG1-CE1 4.47Å; V88-F90 HydrophobicContact CG1-CE2 3.47Å; V88-F90 VanDerWaalsContact CG1-CE2 3.47Å; V88-F90 HydrophobicContact CG1-CZ 3.7Å; V88-I97 HydrophobicContact CG1-CG2 3.66Å; V88-C98 CarbonylContact C-O 3.6Å; V88-C98 WeakPolarHBondContact CA-O 3.49Å; V88-Y99 HydrophobicContact CG2-CD2 3.71Å; V88-Y99 HydrophobicContact CG2-CE2 4.31Å
89L94.4Very high88Confident4 Ų444 Ų442%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-105.4123.3174.4176.263.6000109.5L73 T75 I97 C98 P163 L164 L167L73-L89 HydrophobicContact CB-CD1 4.38Å; L73-L89 HydrophobicContact CD2-CD1 4.46Å; T75-L89 VanDerWaalsContact OG1-CD1 3.27Å; T75-L89 WeakPolarHBondContact OG1-CD1 3.46Å; L89-I97 CarbonylContact O-C 3.48Å; L89-I97 WeakPolarHBondContact O-CA 3.31Å; L89-C98 PolarHBondContact N-O 2.74Å; L89-C98 PolarHBondContact O-N 3.35Å; L89-P163 HydrophobicContact CD1-CG 4.44Å; L89-P163 HydrophobicContact CD2-CB 3.83Å; L89-P163 HydrophobicContact CD2-CG 3.79Å; L89-L164 HydrophobicContact CB-CD2 4.45Å; L89-L164 HydrophobicContact CD2-CD2 3.65Å; L89-L164 HydrophobicContact CD2-CG 4.15Å; L89-L164 HydrophobicContact CG-CD2 4.07Å; L89-L167 HydrophobicContact CB-CD2 3.65Å; L89-L167 HydrophobicContact CD2-CD2 4.2Å
90F93.6Very high88.4Confident9 Ų943.8 Ų43.84%0.03925%0.252CS..EExtended strand (participates in β ladder)trans-99.6117170-60.1-96.3000108.6L73 V74 L76 V88 I97 M112 V120L73-F90 WeakPolarHBondContact CA-O 3.44Å; V74-F90 HydrophobicContact CB-CB 4.22Å; V74-F90 HydrophobicContact CB-CD2 4.23Å; V74-F90 HydrophobicContact CG1-CD2 4.29Å; V74-F90 PolarHBondContact N-O 3.12Å; V74-F90 VanDerWaalsContact N-O 3.09Å; V74-F90 PolarHBondContact O-N 3.41Å; L76-F90 HydrophobicContact CD1-CE2 3.73Å; L76-F90 HydrophobicContact CD1-CZ 4.45Å; L76-F90 HydrophobicContact CG-CE2 4.03Å; V88-F90 HydrophobicContact CB-CE2 4.2Å; V88-F90 HydrophobicContact CG1-CD2 4.09Å; V88-F90 HydrophobicContact CG1-CE1 4.47Å; V88-F90 HydrophobicContact CG1-CE2 3.47Å; V88-F90 VanDerWaalsContact CG1-CE2 3.47Å; V88-F90 HydrophobicContact CG1-CZ 3.7Å; F90-I97 HydrophobicContact CD1-CD1 4.09Å; F90-I97 HydrophobicContact CD1-CG1 3.85Å; F90-I97 HydrophobicContact CD1-CG2 4.14Å; F90-I97 HydrophobicContact CE1-CD1 3.84Å; F90-I97 HydrophobicContact CE1-CG1 4.08Å; F90-I97 HydrophobicContact CE1-CG2 4.02Å; F90-I97 HydrophobicContact CZ-CG2 4.46Å; F90-M112 HydrophobicContact CD1-CE 4.34Å; F90-V120 HydrophobicContact CB-CG1 3.92Å; F90-V120 HydrophobicContact CD1-CG1 3.55Å; F90-V120 HydrophobicContact CD2-CG1 3.98Å; F90-V120 HydrophobicContact CE1-CG1 3.98Å; F90-V120 HydrophobicContact CE2-CG1 4.38Å; F90-V120 HydrophobicContact CG-CG1 3.55Å; F90-V120 HydrophobicContact CZ-CG1 4.38Å
91D94.9Very high89.1Confident3 Ų342.8 Ų42.82%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-101.191.1169.2-176.6-21.3000107.9L73 K93 H94 G95 L96 L164L73-D91 HydrophobicContact CD2-CB 4.06Å; D91-K93 VanDerWaalsContact C-N 3.28Å; D91-K93 PolarHBondContact O-N 2.86Å; D91-K93 PolarHBondContact OD1-N 3.26Å; D91-H94 PolarHBondContact O-N 2.82Å; D91-H94 IonicContact OD1-CG 3.97Å; D91-H94 PolarHBondContact OD1-N 2.78Å; D91-H94 IonicContact OD1-ND1 3.44Å; D91-H94 PolarHBondContact OD1-ND1 2.96Å; D91-H94 IonicContact OD2-CE1 3.04Å; D91-H94 IonicContact OD2-CG 3.31Å; D91-H94 IonicContact OD2-ND1 3.62Å; D91-H94 PolarHBondContact OD2-ND1 3.23Å; D91-G95 WeakPolarHBondContact O-CA 3.29Å; D91-G95 PolarHBondContact O-N 2.91Å; D91-L96 HydrophobicContact CB-CB 4.44Å; D91-L96 PolarHBondContact N-O 2.98Å; D91-L96 PolarHBondContact O-N 3.04Å; D91-L164 HydrophobicContact CB-CD1 4.33Å
92V93.3Very high90Very high30 Ų3039.8 Ų39.818%0.18222%0.219CC..THydrogen-bonded Turntrans-68.5-34.1-173.3-176.30000110.6H72 G95 M112 Y117 V120 L124H72-V92 HydrophobicContact CB-CB 4.14Å; H72-V92 WeakPolarHBondContact O-CB 3.49Å; H72-V92 WeakPolarHBondContact O-CG2 3.24Å; H72-V92 PolarHBondContact O-N 3.31Å; V92-G95 PolarHBondContact O-N 2.72Å; V92-M112 HydrophobicContact CG2-CE 4.38Å; V92-Y117 HydrophobicContact CG1-CD1 3.94Å; V92-Y117 HydrophobicContact CG1-CE1 3.93Å; V92-V120 HydrophobicContact CG2-CB 4.36Å; V92-V120 HydrophobicContact CG2-CG2 3.63Å; V92-L124 HydrophobicContact CG2-CD1 4.45Å
93K93.2Very high90.5Very high147 Ų14743.1 Ų43.164%0.63922%0.224SC*.THydrogen-bonded Turntrans-61.5-44.5178.7179.8-179.2175.1-174.80111.5H72 D91H72-K93 HydrophobicContact CB-CB 4.19Å; D91-K93 VanDerWaalsContact C-N 3.28Å; D91-K93 PolarHBondContact O-N 2.86Å; D91-K93 PolarHBondContact OD1-N 3.26Å
94H95.1Very high90.7Very high90 Ų9038.3 Ų38.342%0.41720%0.197SC..THydrogen-bonded Turntrans-96.1-2.8-179.8-53.9111.2000113.5D91 L96D91-H94 PolarHBondContact O-N 2.82Å; D91-H94 IonicContact OD1-CG 3.97Å; D91-H94 PolarHBondContact OD1-N 2.78Å; D91-H94 IonicContact OD1-ND1 3.44Å; D91-H94 PolarHBondContact OD1-ND1 2.96Å; D91-H94 IonicContact OD2-CE1 3.04Å; D91-H94 IonicContact OD2-CG 3.31Å; D91-H94 IonicContact OD2-ND1 3.62Å; D91-H94 PolarHBondContact OD2-ND1 3.23Å; H94-L96 HydrophobicContact CB-CD1 4.28Å; H94-L96 HydrophobicContact CB-CG 4.46Å
95G95.3Very high91.1Very high5 Ų540 Ų405%0.05221%0.205CC..THydrogen-bonded Turntrans67.937.5177.900000113.3D91 V92 T111 M112 Y117D91-G95 WeakPolarHBondContact O-CA 3.29Å; D91-G95 PolarHBondContact O-N 2.91Å; V92-G95 PolarHBondContact O-N 2.72Å; G95-T111 WeakPolarHBondContact O-CA 3.45Å; G95-M112 PolarHBondContact O-N 2.84Å; G95-Y117 WeakPolarHBondContact CA-OH 3.4Å
96L95.3Very high91.3Very high36 Ų3641.4 Ų41.419%0.18820%0.204CC..EExtended strand (participates in β ladder)trans-120.6146.3-175.9-66.2173.3000111.6D91 H94 L109 Q110 L164D91-L96 HydrophobicContact CB-CB 4.44Å; D91-L96 PolarHBondContact N-O 2.98Å; D91-L96 PolarHBondContact O-N 3.04Å; H94-L96 HydrophobicContact CB-CD1 4.28Å; H94-L96 HydrophobicContact CB-CG 4.46Å; L96-L109 HydrophobicContact CB-CD1 4.35Å; L96-L109 HydrophobicContact CD1-CD1 4.49Å; L96-L109 HydrophobicContact CD2-CD1 4.44Å; L96-L109 HydrophobicContact CD2-CG 4.44Å; L96-Q110 CarbonylContact C-O 3.5Å; L96-Q110 WeakPolarHBondContact CA-O 3.36Å; L96-L164 HydrophobicContact CB-CD1 4.12Å; L96-L164 HydrophobicContact CD1-CD1 3.79Å
97I93.6Very high91.5Very high11 Ų1140.6 Ų40.66%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-119.6129169.1-46.5176.9000106.8V88 L89 F90 L109 Q110 M112 D116V88-I97 HydrophobicContact CG1-CG2 3.66Å; L89-I97 CarbonylContact O-C 3.48Å; L89-I97 WeakPolarHBondContact O-CA 3.31Å; F90-I97 HydrophobicContact CD1-CD1 4.09Å; F90-I97 HydrophobicContact CD1-CG1 3.85Å; F90-I97 HydrophobicContact CD1-CG2 4.14Å; F90-I97 HydrophobicContact CE1-CD1 3.84Å; F90-I97 HydrophobicContact CE1-CG1 4.08Å; F90-I97 HydrophobicContact CE1-CG2 4.02Å; F90-I97 HydrophobicContact CZ-CG2 4.46Å; I97-L109 CarbonylContact O-C 3.59Å; I97-L109 WeakPolarHBondContact O-CA 3.32Å; I97-Q110 HydrophobicContact CB-CB 4.36Å; I97-Q110 PolarHBondContact N-O 3Å; I97-Q110 PolarHBondContact O-N 2.81Å; I97-M112 HydrophobicContact CD1-CG 3.92Å; I97-M112 HydrophobicContact CG1-CB 4.43Å; I97-M112 HydrophobicContact CG1-CG 3.38Å; I97-D116 HydrophobicContact CD1-CB 3.95Å
98C93.9Very high91.5Very high0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-118.1126.9169-1690000110.6V88 L89 F108 L109 L164 L167 C168V88-C98 CarbonylContact C-O 3.6Å; V88-C98 WeakPolarHBondContact CA-O 3.49Å; L89-C98 PolarHBondContact N-O 2.74Å; L89-C98 PolarHBondContact O-N 3.35Å; C98-F108 WeakPolarHBondContact CA-O 3.36Å; C98-L109 HydrophobicContact CB-CD1 4.14Å; C98-L164 HydrophobicContact CB-CD2 3.3Å; C98-L167 HydrophobicContact CB-CD2 4.06Å; C98-C168 PolarHBondContact SG-SG 2.97Å
99Y92.1Very high91.6Very high26 Ų2638.9 Ų38.910%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-107.3123.9173.6174.2-118.3000110.5L51 T87 V88 P101 C107 F108L51-Y99 HydrophobicContact CD2-CD1 3.02Å; L51-Y99 HydrophobicContact CD2-CE1 3.1Å; L51-Y99 HydrophobicContact CD2-CG 3.79Å; L51-Y99 HydrophobicContact CG-CD1 4.47Å; L51-Y99 HydrophobicContact CG-CE1 4.48Å; T87-Y99 WeakPolarHBondContact O-CD2 3.44Å; V88-Y99 HydrophobicContact CG2-CD2 3.71Å; V88-Y99 HydrophobicContact CG2-CE2 4.31Å; Y99-P101 HydrophobicContact CD1-CG 3.85Å; Y99-P101 HydrophobicContact CE1-CB 3.75Å; Y99-P101 HydrophobicContact CE1-CG 3.41Å; Y99-P101 VanDerWaalsContact CE1-CG 3.41Å; Y99-C107 WeakPolarHBondContact O-CA 3.49Å; Y99-F108 AromaticContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CE1-CD2 4.43Å; Y99-F108 PolarHBondContact N-O 3.32Å; Y99-F108 PolarHBondContact O-N 2.85Å
100Q92.3Very high91.6Very high33 Ų3339.3 Ų39.315%0.15419%0.189CC..EExtended strand (participates in β ladder)trans-107.9104.3169.5-177.2-166.4-31.200108.7S86 T87 L167S86-Q100 CarbonylContact C-O 3.6Å; S86-Q100 WeakPolarHBondContact CA-O 3.44Å; T87-Q100 PolarHBondContact N-O 3.39Å; T87-Q100 PolarHBondContact O-N 3.04Å; Q100-L167 HydrophobicContact CB-CD1 4.33Å; Q100-L167 HydrophobicContact CB-CG 4.19Å; Q100-L167 PolarHBondContact OE1-O 3.44Å
101P88.1Confident91.5Very high0 Ų042.8 Ų42.80%021%0.211CC..  trans-66.1145169.7-3.816.9000111.1Y99 D103 Q104 R106 F108 R171Y99-P101 HydrophobicContact CD1-CG 3.85Å; Y99-P101 HydrophobicContact CE1-CB 3.75Å; Y99-P101 HydrophobicContact CE1-CG 3.41Å; Y99-P101 VanDerWaalsContact CE1-CG 3.41Å; P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.48Å; P101-Q104 HydrophobicContact CB-CB 4.07Å; P101-Q104 HydrophobicContact CB-CG 4.25Å; P101-Q104 HydrophobicContact CG-CB 4.01Å; P101-Q104 HydrophobicContact CG-CG 4.43Å; P101-R106 WeakPolarHBondContact CD-O 3.42Å; P101-F108 HydrophobicContact CG-CD2 4.04Å; P101-F108 HydrophobicContact CG-CE2 3.73Å; P101-R171 PolarHBondContact O-NH1 3.44Å
102A86.7Confident91.4Very high22 Ų2243.3 Ų43.318%0.18221%0.214CC..THydrogen-bonded Turntrans-62.6-38.4175.500000112.4Q84 T85 S86Q84-A102 HydrophobicContact CB-CB 3.74Å; T85-A102 WeakPolarHBondContact O-CA 3.35Å; T85-A102 VanDerWaalsContact O-CB 3.29Å; T85-A102 WeakPolarHBondContact O-CB 3.34Å; S86-A102 PolarHBondContact OG-N 2.67Å; S86-A102 VanDerWaalsContact OG-N 3.16Å
103D81.9Confident91.3Very high125 Ų12545.3 Ų45.367%0.66822%0.221SC*.THydrogen-bonded Turntrans-102.94.7-164.164.5-26.6000114.3P101P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.48Å
104Q81.9Confident91.2Very high44 Ų4448.2 Ų48.221%0.20623%0.228CC..  trans-131.1138.6-174.4-62.3179.547.800112.8P101 R106 R171P101-Q104 HydrophobicContact CB-CB 4.07Å; P101-Q104 HydrophobicContact CB-CG 4.25Å; P101-Q104 HydrophobicContact CG-CB 4.01Å; P101-Q104 HydrophobicContact CG-CG 4.43Å; Q104-R106 PolarHBondContact O-N 2.82Å; Q104-R171 PolarHBondContact O-NH1 2.94Å
105Q89.4Confident90.8Very high140 Ų14046.1 Ų46.165%0.65422%0.224SC*.SBendtrans-76.733.2175.4-65.8-63.7-15.800113.7T172Q105-T172 PolarHBondContact O-N 3.04Å
106R90.1Very high90.5Very high83 Ų8346 Ų4631%0.31322%0.222SC..EExtended strand (participates in β ladder)trans-140.9147.2-173.9-55.4-174.5-72-173.2-3.4110.2P101 Q104 F108 T172P101-R106 WeakPolarHBondContact CD-O 3.42Å; Q104-R106 PolarHBondContact O-N 2.82Å; R106-F108 HydrophobicContact CB-CZ 4.28Å; R106-T172 CarbonylContact C-O 3.49Å; R106-T172 VanDerWaalsContact CA-O 3.25Å; R106-T172 WeakPolarHBondContact CA-O 3.38Å; R106-T172 WeakPolarHBondContact CG-OG1 3.39Å
107C93.2Very high90.3Very high0 Ų048.7 Ų48.70%023%0.23CC..EExtended strand (participates in β ladder)trans-112.6152.9168.6-82.40000110.3Y99 C168 T172 V173 H174Y99-C107 WeakPolarHBondContact O-CA 3.49Å; C107-C168 HydrophobicContact CB-CB 3.77Å; C107-C168 WeakPolarHBondContact CB-SG 3.42Å; C107-C168 WeakPolarHBondContact SG-CA 3.39Å; C107-C168 WeakPolarHBondContact SG-CB 3.18Å; C107-C168 CovalentContact SG-SG 2.03Å; C107-C168 PolarHBondContact SG-SG 3.39Å; C107-T172 PolarHBondContact N-O 3.44Å; C107-V173 HydrophobicContact CB-CG2 3.99Å; C107-V173 WeakPolarHBondContact O-CA 3.41Å; C107-H174 PolarHBondContact O-N 3.24Å
108F92.6Very high90.1Very high3 Ų353.1 Ų53.11%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-119.4116.8178.4-59.2-77.8000109.5V49 C98 Y99 P101 R106 L147 V149 H174 T176V49-F108 HydrophobicContact CB-CE1 4.24Å; V49-F108 HydrophobicContact CB-CZ 4.28Å; V49-F108 HydrophobicContact CG1-CE1 4.08Å; V49-F108 HydrophobicContact CG1-CE2 3.98Å; V49-F108 HydrophobicContact CG1-CZ 3.64Å; V49-F108 HydrophobicContact CG2-CE1 3.84Å; V49-F108 HydrophobicContact CG2-CZ 4Å; C98-F108 WeakPolarHBondContact CA-O 3.36Å; Y99-F108 AromaticContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CD1-CD2 3.8Å; Y99-F108 HydrophobicContact CE1-CD2 4.43Å; Y99-F108 PolarHBondContact N-O 3.32Å; Y99-F108 PolarHBondContact O-N 2.85Å; P101-F108 HydrophobicContact CG-CD2 4.04Å; P101-F108 HydrophobicContact CG-CE2 3.73Å; R106-F108 HydrophobicContact CB-CZ 4.28Å; F108-L147 HydrophobicContact CB-CD1 4.37Å; F108-V149 HydrophobicContact CD1-CG2 4.24Å; F108-V149 HydrophobicContact CE1-CG2 3.89Å; F108-H174 WeakPolarHBondContact CA-O 3.35Å; F108-H174 HydrophobicContact CD1-CB 4.16Å; F108-H174 HydrophobicContact CE1-CB 4.38Å; F108-T176 HydrophobicContact CB-CG2 3.87Å; F108-T176 HydrophobicContact CD1-CG2 3.55Å; F108-T176 HydrophobicContact CG-CG2 4.12Å
109L93.9Very high89.6Confident5 Ų556 Ų563%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-100.1130.7178.7-170.772.4000109L96 I97 C98 V155 L160 L164 V173 H174 R175 T176L96-L109 HydrophobicContact CB-CD1 4.35Å; L96-L109 HydrophobicContact CD1-CD1 4.49Å; L96-L109 HydrophobicContact CD2-CD1 4.44Å; L96-L109 HydrophobicContact CD2-CG 4.44Å; I97-L109 CarbonylContact O-C 3.59Å; I97-L109 WeakPolarHBondContact O-CA 3.32Å; C98-L109 HydrophobicContact CB-CD1 4.14Å; L109-V155 HydrophobicContact CD2-CG2 4.46Å; L109-L160 HydrophobicContact CD2-CD2 3.85Å; L109-L164 HydrophobicContact CD1-CD1 4.49Å; L109-V173 HydrophobicContact CB-CG1 3.79Å; L109-H174 PolarHBondContact N-O 3.41Å; L109-R175 CarbonylContact O-C 3.59Å; L109-R175 WeakPolarHBondContact O-CA 3.23Å; L109-T176 PolarHBondContact O-N 3.49Å; L109-T176 PolarHBondContact O-OG1 3.42Å; L109-T176 VanDerWaalsContact O-OG1 3.07Å
110Q92.4Very high89.2Confident13 Ų1354.9 Ų54.96%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-132.5147.9179.5-172-178.3-1.600109.7L96 I97L96-Q110 CarbonylContact C-O 3.5Å; L96-Q110 WeakPolarHBondContact CA-O 3.36Å; I97-Q110 HydrophobicContact CB-CB 4.36Å; I97-Q110 PolarHBondContact N-O 3Å; I97-Q110 PolarHBondContact O-N 2.81Å
111T93.1Very high88.8Confident83 Ų8354.6 Ų54.651%0.50927%0.269SS..EExtended strand (participates in β ladder)trans-80.1133.3166.2-56.60000109.8G95G95-T111 WeakPolarHBondContact O-CA 3.45Å
112M92.3Very high88.5Confident13 Ų1358.2 Ų58.26%0.06430%0.295CS..PPolyproline II helixtrans-60.8138.6178-72.5-179.772.600111.7F90 V92 G95 I97 D116 Y117 V120F90-M112 HydrophobicContact CD1-CE 4.34Å; V92-M112 HydrophobicContact CG2-CE 4.38Å; G95-M112 PolarHBondContact O-N 2.84Å; I97-M112 HydrophobicContact CD1-CG 3.92Å; I97-M112 HydrophobicContact CG1-CB 4.43Å; I97-M112 HydrophobicContact CG1-CG 3.38Å; M112-D116 HydrophobicContact CB-CB 4.38Å; M112-D116 HydrophobicContact CE-CB 4.05Å; M112-D116 HydrophobicContact CG-CB 4.46Å; M112-Y117 HydrophobicContact CB-CD2 4.09Å; M112-Y117 HydrophobicContact CB-CE2 3.52Å; M112-Y117 HydrophobicContact CE-CD1 3.72Å; M112-Y117 HydrophobicContact CE-CD2 4.29Å; M112-Y117 HydrophobicContact CE-CE1 3.91Å; M112-Y117 HydrophobicContact CE-CE2 4.46Å; M112-Y117 HydrophobicContact CE-CG 3.93Å; M112-Y117 HydrophobicContact SD-CD1 4.45Å; M112-Y117 HydrophobicContact SD-CE1 4.03Å; M112-V120 HydrophobicContact CE-CG2 3.83Å
113E91.5Very high88Confident72 Ų7258.3 Ų58.334%0.33629%0.292SS..PPolyproline II helixtrans-100.5167.9168.1-67.7174.7-161.900110.5S115 D116 Y117 R178E113-S115 PolarHBondContact O-N 3.01Å; E113-D116 PolarHBondContact N-OD2 3.24Å; E113-D116 WeakPolarHBondContact O-CA 3.19Å; E113-D116 WeakPolarHBondContact O-CB 3.45Å; E113-D116 PolarHBondContact O-N 2.86Å; E113-Y117 VanDerWaalsContact O-CD2 3.3Å; E113-Y117 WeakPolarHBondContact O-CD2 3.45Å; E113-Y117 PolarHBondContact O-N 3.45Å; E113-R178 WeakPolarHBondContact OE1-CB 3.5Å; E113-R178 IonicContact OE2-CZ 3.75Å; E113-R178 IonicContact OE2-NE 3.74Å; E113-R178 IonicContact OE2-NH1 3.59Å; E113-R178 PolarHBondContact OE2-NH1 3.48Å
114R91.1Very high87.8Confident208 Ų20854.6 Ų54.679%0.78527%0.272SS*.Hα-helixtrans-54.4-40.5-177.3-160.8164.3-171.3101.60.4113D116 Y117 D118R114-D116 PolarHBondContact O-N 2.92Å; R114-Y117 WeakPolarHBondContact O-CB 3.17Å; R114-Y117 PolarHBondContact O-N 2.96Å; R114-D118 PolarHBondContact O-N 2.93Å
115S86.4Confident87.3Confident47 Ų4757.5 Ų57.533%0.32930%0.297SS..Hα-helixtrans-59.8-30.7175.264.10000113.8E113 H119 R178E113-S115 PolarHBondContact O-N 3.01Å; S115-H119 WeakPolarHBondContact O-CB 3.46Å; S115-H119 PolarHBondContact O-N 3.31Å; S115-H119 VanDerWaalsContact O-N 3.14Å; S115-R178 PolarHBondContact OG-NH1 3.04Å
116D88.9Confident86.2Confident1 Ų152.1 Ų52.11%0.00528%0.279CS..Hα-helixtrans-77.6-39.8-179.4-54.1-47.3000109.9I97 M112 E113 R114 H119 V120 R145 R178I97-D116 HydrophobicContact CD1-CB 3.95Å; M112-D116 HydrophobicContact CB-CB 4.38Å; M112-D116 HydrophobicContact CE-CB 4.05Å; M112-D116 HydrophobicContact CG-CB 4.46Å; E113-D116 PolarHBondContact N-OD2 3.24Å; E113-D116 WeakPolarHBondContact O-CA 3.19Å; E113-D116 WeakPolarHBondContact O-CB 3.45Å; E113-D116 PolarHBondContact O-N 2.86Å; R114-D116 PolarHBondContact O-N 2.92Å; D116-H119 PolarHBondContact O-N 2.7Å; D116-V120 WeakPolarHBondContact O-CG2 3.11Å; D116-V120 PolarHBondContact O-N 3.32Å; D116-R145 IonicContact OD1-CZ 4Å; D116-R145 IonicContact OD1-NH1 3.52Å; D116-R145 IonicContact OD1-NH2 3.8Å; D116-R178 IonicContact OD1-CZ 2.72Å; D116-R178 IonicContact OD1-NH2 2.86Å; D116-R178 PolarHBondContact OD1-NH2 3.2Å; D116-R178 IonicContact OD2-NH2 2.7Å; D116-R178 PolarHBondContact OD2-NH2 3.31Å
117Y91.1Very high84.7Confident93 Ų9354.5 Ų54.537%0.36531%0.305SS..Hα-helixtrans-59.6-45.2170.2-72.6-76.9000112.2V92 G95 M112 E113 R114 H119 G121V92-Y117 HydrophobicContact CG1-CD1 3.94Å; V92-Y117 HydrophobicContact CG1-CE1 3.93Å; G95-Y117 WeakPolarHBondContact CA-OH 3.4Å; M112-Y117 HydrophobicContact CB-CD2 4.09Å; M112-Y117 HydrophobicContact CB-CE2 3.52Å; M112-Y117 HydrophobicContact CE-CD1 3.72Å; M112-Y117 HydrophobicContact CE-CD2 4.29Å; M112-Y117 HydrophobicContact CE-CE1 3.91Å; M112-Y117 HydrophobicContact CE-CE2 4.46Å; M112-Y117 HydrophobicContact CE-CG 3.93Å; M112-Y117 HydrophobicContact SD-CD1 4.45Å; M112-Y117 HydrophobicContact SD-CE1 4.03Å; E113-Y117 VanDerWaalsContact O-CD2 3.3Å; E113-Y117 WeakPolarHBondContact O-CD2 3.45Å; E113-Y117 PolarHBondContact O-N 3.45Å; R114-Y117 WeakPolarHBondContact O-CB 3.17Å; R114-Y117 PolarHBondContact O-N 2.96Å; Y117-H119 VanDerWaalsContact C-N 3.31Å; Y117-H119 PolarHBondContact O-N 3.03Å; Y117-G121 WeakPolarHBondContact O-CA 3.28Å; Y117-G121 PolarHBondContact O-N 3.14Å
118D88.7Confident83.1Confident105 Ų10558.3 Ų58.356%0.56132%0.323SS*.Hα-helixtrans-61.9-42178.6-62-28.3000111R114 S122R114-D118 PolarHBondContact O-N 2.93Å; D118-S122 PolarHBondContact O-N 3.2Å; D118-S122 VanDerWaalsContact O-N 3.17Å
119H83.3Confident81.3Confident61 Ų6165.2 Ų65.228%0.28236%0.36SS..Hα-helixtrans-63.2-55.4177.7179.555.4000112.2S115 D116 Y117 G121 S122 L123S115-H119 WeakPolarHBondContact O-CB 3.46Å; S115-H119 PolarHBondContact O-N 3.31Å; S115-H119 VanDerWaalsContact O-N 3.14Å; D116-H119 PolarHBondContact O-N 2.7Å; Y117-H119 VanDerWaalsContact C-N 3.31Å; Y117-H119 PolarHBondContact O-N 3.03Å; H119-G121 VanDerWaalsContact C-N 3.32Å; H119-G121 PolarHBondContact O-N 3.44Å; H119-S122 PolarHBondContact O-N 3.01Å; H119-S122 PolarHBondContact O-OG 3.23Å; H119-L123 PolarHBondContact O-N 3.36Å
120V85.2Confident79.7Confident1 Ų171.4 Ų71.41%0.00639%0.389CS..Hα-helixtrans-68.9-31.5-178.6-59.40000112.6V74 F90 V92 M112 D116 S122 L123 L124V74-V120 HydrophobicContact CG2-CB 4.23Å; F90-V120 HydrophobicContact CB-CG1 3.92Å; F90-V120 HydrophobicContact CD1-CG1 3.55Å; F90-V120 HydrophobicContact CD2-CG1 3.98Å; F90-V120 HydrophobicContact CE1-CG1 3.98Å; F90-V120 HydrophobicContact CE2-CG1 4.38Å; F90-V120 HydrophobicContact CG-CG1 3.55Å; F90-V120 HydrophobicContact CZ-CG1 4.38Å; V92-V120 HydrophobicContact CG2-CB 4.36Å; V92-V120 HydrophobicContact CG2-CG2 3.63Å; M112-V120 HydrophobicContact CE-CG2 3.83Å; D116-V120 WeakPolarHBondContact O-CG2 3.11Å; D116-V120 PolarHBondContact O-N 3.32Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 3.19Å; V120-L123 PolarHBondContact O-N 3.49Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 3.36Å
121G84.1Confident78.3Confident28 Ų2872.2 Ų72.229%0.28940%0.401SS..Hα-helixtrans-60.3-40.617400000111.9Y117 H119 L123 L124 S125Y117-G121 WeakPolarHBondContact O-CA 3.28Å; Y117-G121 PolarHBondContact O-N 3.14Å; H119-G121 VanDerWaalsContact C-N 3.32Å; H119-G121 PolarHBondContact O-N 3.44Å; G121-L123 VanDerWaalsContact C-N 3.34Å; G121-L123 PolarHBondContact O-N 3.43Å; G121-L124 PolarHBondContact O-N 3.26Å; G121-S125 VanDerWaalsContact O-CB 3.28Å; G121-S125 WeakPolarHBondContact O-CB 3.3Å; G121-S125 PolarHBondContact O-N 3.17Å; G121-S125 PolarHBondContact O-OG 2.83Å
122S80.1Confident77.2Confident76 Ų7674.5 Ų74.553%0.53141%0.41SS..Hα-helixtrans-65.3-35.7175.673.40000113.1D118 H119 V120 G126D118-S122 PolarHBondContact O-N 3.2Å; D118-S122 VanDerWaalsContact O-N 3.17Å; H119-S122 PolarHBondContact O-N 3.01Å; H119-S122 PolarHBondContact O-OG 3.23Å; V120-S122 VanDerWaalsContact C-N 3.3Å; V120-S122 PolarHBondContact O-N 3.19Å; S122-G126 PolarHBondContact O-N 2.94Å
123L77.7Confident76.2Confident24 Ų2474.6 Ų74.613%0.12641%0.411CS..Hα-helixtrans-69-44.4175.4-64.5173.6000111.9L67 V74 H119 V120 G121 S125 G126L67-L123 HydrophobicContact CD2-CB 4.23Å; V74-L123 HydrophobicContact CG1-CD1 4.16Å; H119-L123 PolarHBondContact O-N 3.36Å; V120-L123 PolarHBondContact O-N 3.49Å; G121-L123 VanDerWaalsContact C-N 3.34Å; G121-L123 PolarHBondContact O-N 3.43Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.44Å; L123-G126 PolarHBondContact O-N 2.67Å
124L76.3Confident75.3Confident47 Ų4778.2 Ų78.225%0.24643%0.428CS..Hα-helixtrans-71-25.6-180-68.7172000113.4P69 V74 V92 V120 G121P69-L124 HydrophobicContact CB-CD2 4.34Å; P69-L124 HydrophobicContact CG-CD2 4.11Å; V74-L124 HydrophobicContact CG2-CD1 4.22Å; V74-L124 HydrophobicContact CG2-CD2 3.76Å; V74-L124 HydrophobicContact CG2-CG 3.87Å; V92-L124 HydrophobicContact CG2-CD1 4.45Å; V120-L124 WeakPolarHBondContact O-CG 3.45Å; V120-L124 PolarHBondContact O-N 3.36Å; G121-L124 PolarHBondContact O-N 3.26Å
125S72.9Confident74.3Confident104 Ų10468.8 Ų68.873%0.72739%0.393SS*.THydrogen-bonded Turntrans-93.7-6.4-179.2-50.10000113.4G121 L123G121-S125 VanDerWaalsContact O-CB 3.28Å; G121-S125 WeakPolarHBondContact O-CB 3.3Å; G121-S125 PolarHBondContact O-N 3.17Å; G121-S125 PolarHBondContact O-OG 2.83Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.44Å
126G66.5Low73Confident27 Ų2769.7 Ų69.728%0.27840%0.4SS..SBendtrans-66.2162.617900000112.2S122 L123 Q128S122-G126 PolarHBondContact O-N 2.94Å; L123-G126 PolarHBondContact O-N 2.67Å; G126-Q128 PolarHBondContact O-N 3.49Å
127P58.1Low71.5Confident134 Ų13471.4 Ų71.487%0.8742%0.417SS*.SBendtrans-67.76.6176.729.7-35.2000113.6N129P127-N129 PolarHBondContact O-N 3.27Å
128Q59.5Low69.8Low79 Ų7972.5 Ų72.537%0.36943%0.43SS..  trans-73.4111.5177.8-80.3171.3-2.500109.4L67 G126 V133L67-Q128 HydrophobicContact CD1-CB 4.28Å; G126-Q128 PolarHBondContact O-N 3.49Å; Q128-V133 HydrophobicContact CB-CG2 4.14Å; Q128-V133 HydrophobicContact CG-CG1 4.49Å; Q128-V133 HydrophobicContact CG-CG2 4.11Å; Q128-V133 VanDerWaalsContact OE1-CG1 3.28Å
129N54.2Low68.1Low148 Ų14872.4 Ų72.479%0.79143%0.426SS*.  trans-58.1149.7169.4-72.6-36.3000110.4P127 G131P127-N129 PolarHBondContact O-N 3.27Å; N129-G131 PolarHBondContact O-N 3.46Å
130Q59.4Low66.9Low135 Ų13570.6 Ų70.663%0.63142%0.419SS*.SBendtrans-39.1131.6174.4-73.2169.47.600112.2P69P69-Q130 HydrophobicContact CG-CG 4.31Å
131G64Low65.2Low30 Ų3076.8 Ų76.831%0.30945%0.448SS..EExtended strand (participates in β ladder)trans139-164.9174.600000114.9L67 N129L67-G131 PolarHBondContact N-O 3.36Å; N129-G131 PolarHBondContact O-N 3.46Å
132D69.8Low63.9Low132 Ų13280.8 Ų80.871%0.70645%0.454SS*.EExtended strand (participates in β ladder)trans-77.5121.1177.5-68.8-16.6000110.4V66V66-D132 VanDerWaalsContact CG2-OD1 3.24Å; V66-D132 WeakPolarHBondContact CG2-OD1 3.31Å
133V72.4Confident62.6Low15 Ų1584.4 Ų84.49%0.09146%0.456CS..EExtended strand (participates in β ladder)trans-111.3128.6177.9173.30000108.3T64 A65 L67 Q128 L135T64-V133 CarbonylContact C-O 3.58Å; T64-V133 WeakPolarHBondContact CA-O 3.39Å; A65-V133 HydrophobicContact CB-CB 4.37Å; A65-V133 PolarHBondContact N-O 2.99Å; A65-V133 PolarHBondContact O-N 3.13Å; L67-V133 HydrophobicContact CD1-CG2 4.19Å; Q128-V133 HydrophobicContact CB-CG2 4.14Å; Q128-V133 HydrophobicContact CG-CG1 4.49Å; Q128-V133 HydrophobicContact CG-CG2 4.11Å; Q128-V133 VanDerWaalsContact OE1-CG1 3.28Å; V133-L135 HydrophobicContact CG1-CD2 4.05Å; V133-L135 PolarHBondContact O-N 3.44Å
134Q71.7Confident61.6Low148 Ų14886.3 Ų86.369%0.69247%0.469SS*.EExtended strand (participates in β ladder)trans-80.6117.1167.5-166.6164.135.500109N62N62-Q134 PolarHBondContact OD1-NE2 2.89Å
135L69.1Low61.1Low10 Ų1087.3 Ų87.35%0.05247%0.47CS..PPolyproline II helixtrans-86.4131177.9-66.8177.9000109.1Q63 A65 L76 V133 E139 T140Q63-L135 HydrophobicContact CB-CB 4.15Å; Q63-L135 PolarHBondContact O-N 3.32Å; A65-L135 HydrophobicContact CB-CD1 3.78Å; A65-L135 HydrophobicContact CB-CD2 4.32Å; A65-L135 HydrophobicContact CB-CG 3.98Å; L76-L135 HydrophobicContact CD2-CD1 3.83Å; V133-L135 HydrophobicContact CG1-CD2 4.05Å; V133-L135 PolarHBondContact O-N 3.44Å; L135-E139 HydrophobicContact CD2-CB 4.42Å; L135-E139 VanDerWaalsContact CD2-OE2 3.3Å; L135-E139 WeakPolarHBondContact CD2-OE2 3.48Å; L135-T140 HydrophobicContact CB-CG2 4.36Å; L135-T140 HydrophobicContact CD1-CG2 3.49Å; L135-T140 VanDerWaalsContact CD1-CG2 3.49Å
136S60.8Low60.5Low66 Ų6687.2 Ų87.246%0.46246%0.456SS..PPolyproline II helixtrans-68.1142.8168.6170.90000108.8N138 E139S136-N138 WeakPolarHBondContact CB-OD1 3.46Å; S136-N138 PolarHBondContact O-N 2.88Å; S136-N138 PolarHBondContact O-OD1 2.84Å; S136-N138 PolarHBondContact OG-OD1 2.87Å; S136-E139 WeakPolarHBondContact O-CB 3.28Å; S136-E139 PolarHBondContact O-N 3.38Å
137G57.3Low60.9Low37 Ų3786.1 Ų86.138%0.38144%0.444SS..THydrogen-bonded Turntrans-60.3-8.7-174.400000115.4
138N54.8Low61.7Low116 Ų11679.7 Ų79.762%0.6240%0.402SS*.THydrogen-bonded Turntrans-86.9-28.7170.262.2-13.4000113.7S136 T140 Q141S136-N138 WeakPolarHBondContact CB-OD1 3.46Å; S136-N138 PolarHBondContact O-N 2.88Å; S136-N138 PolarHBondContact O-OD1 2.84Å; S136-N138 PolarHBondContact OG-OD1 2.87Å; N138-T140 VanDerWaalsContact C-N 3.35Å; N138-Q141 PolarHBondContact O-N 3.44Å
139E52.5Low62.7Low102 Ų10276.9 Ų76.948%0.47739%0.39SS..THydrogen-bonded Turntrans-69.9-33.2-178.5-65.4-163.9144.300111.6L135 S136 Q141L135-E139 HydrophobicContact CD2-CB 4.42Å; L135-E139 VanDerWaalsContact CD2-OE2 3.3Å; L135-E139 WeakPolarHBondContact CD2-OE2 3.48Å; S136-E139 WeakPolarHBondContact O-CB 3.28Å; S136-E139 PolarHBondContact O-N 3.38Å; E139-Q141 PolarHBondContact O-N 3.38Å
140T58.3Low63.9Low23 Ų2374 Ų7414%0.14137%0.373CS..SBendtrans-92.973.2161.476.70000109.3Q63 L135 N138 R142Q63-T140 PolarHBondContact NE2-OG1 2.76Å; Q63-T140 PolarHBondContact OE1-OG1 3.09Å; L135-T140 HydrophobicContact CB-CG2 4.36Å; L135-T140 HydrophobicContact CD1-CG2 3.49Å; L135-T140 VanDerWaalsContact CD1-CG2 3.49Å; N138-T140 VanDerWaalsContact C-N 3.35Å; T140-R142 PolarHBondContact O-N 2.96Å
141Q50.5Low64.6Low131 Ų13171.4 Ų71.461%0.61238%0.375SS*.  trans-48113176-170.8-174.219.200109.1N138 E139 R143N138-Q141 PolarHBondContact O-N 3.44Å; E139-Q141 PolarHBondContact O-N 3.38Å; Q141-R143 PolarHBondContact O-N 3.37Å; Q141-R143 VanDerWaalsContact OE1-NH2 3.12Å
142R55.3Low65Low112 Ų11274 Ų7442%0.42340%0.402SS..  trans-56.891-171.9-68.9180-180177.9-5.3110.8V59 T140V59-R142 PolarHBondContact O-NH2 3.44Å; V59-R142 VanDerWaalsContact O-NH2 3.16Å; T140-R142 PolarHBondContact O-N 2.96Å
143R54.5Low65.4Low152 Ų15268.5 Ų68.557%0.57438%0.376SS*.  trans-101.2103.6173.4-71-174.5-170.4-1768.4108.1Q141 R145Q141-R143 PolarHBondContact O-N 3.37Å; Q141-R143 VanDerWaalsContact OE1-NH2 3.12Å; R143-R145 HydrophobicContact CB-CG 4.32Å; R143-R145 PolarHBondContact O-N 2.84Å
144T55.2Low66.1Low64 Ų6473.7 Ų73.739%0.39340%0.399SS..  trans-62.2119.2160.1-610000106.3R50 F146R50-T144 HydrophobicContact CG-CG2 3.99Å; T144-F146 HydrophobicContact CG2-CZ 4.43Å
145R65.6Low66.9Low69 Ų6968 Ų6826%0.2637%0.374SS..EExtended strand (participates in β ladder)trans-115131.5177.1-75.9-179-178.2161-3.2108.9L51 D116 R143L51-R145 WeakPolarHBondContact CB-O 3.5Å; L51-R145 HydrophobicContact CD1-CB 4.04Å; L51-R145 PolarHBondContact N-O 3.2Å; L51-R145 VanDerWaalsContact N-O 3.16Å; D116-R145 IonicContact OD1-CZ 4Å; D116-R145 IonicContact OD1-NH1 3.52Å; D116-R145 IonicContact OD1-NH2 3.8Å; R143-R145 HydrophobicContact CB-CG 4.32Å; R143-R145 PolarHBondContact O-N 2.84Å
146F61.6Low67.9Low102 Ų10269.6 Ų69.645%0.44739%0.394SS..EExtended strand (participates in β ladder)trans-87.5124.1171.8-66-74.4000108.3T48 R50 T144 T179T48-F146 HydrophobicContact CG2-CB 3.65Å; T48-F146 HydrophobicContact CG2-CD1 3.63Å; T48-F146 HydrophobicContact CG2-CG 4.02Å; R50-F146 HydrophobicContact CB-CE1 4.42Å; R50-F146 HydrophobicContact CG-CE1 4.23Å; T144-F146 HydrophobicContact CG2-CZ 4.43Å; F146-T179 WeakPolarHBondContact CB-OG1 3.49Å; F146-T179 PolarHBondContact O-N 2.95Å; F146-T179 PolarHBondContact O-OG1 3.26Å; F146-T179 VanDerWaalsContact O-OG1 3.13Å
147L74.3Confident69.3Low3 Ų368.1 Ų68.12%0.01638%0.382CS..EExtended strand (participates in β ladder)trans-110.6123175-68-172.6000108.7V49 L51 F108 T176V49-L147 PolarHBondContact N-O 2.92Å; V49-L147 PolarHBondContact O-N 3.47Å; L51-L147 HydrophobicContact CD1-CD1 3.51Å; L51-L147 HydrophobicContact CD1-CD2 4.37Å; L51-L147 HydrophobicContact CD1-CG 3.69Å; L51-L147 HydrophobicContact CD2-CD1 3.86Å; L51-L147 HydrophobicContact CD2-CG 4.5Å; L51-L147 HydrophobicContact CG-CD1 3.78Å; L51-L147 HydrophobicContact CG-CG 3.92Å; F108-L147 HydrophobicContact CB-CD1 4.37Å; L147-T176 HydrophobicContact CB-CG2 4.15Å; L147-T176 HydrophobicContact CD1-CG2 4.27Å
148G75.6Confident70.9Confident0 Ų070.5 Ų70.50%040%0.398CS..EExtended strand (participates in β ladder)trans-77.9119.6168.600000109.6T176 R177G148-T176 CarbonylContact O-C 3.59Å; G148-T176 VanDerWaalsContact O-CA 3.24Å; G148-T176 WeakPolarHBondContact O-CA 3.4Å; G148-R177 PolarHBondContact N-O 3.42Å; G148-R177 PolarHBondContact O-N 2.98Å
149V79.8Confident72.6Confident20 Ų2069 Ų6912%0.12140%0.397CS..EExtended strand (participates in β ladder)trans-74.4126.1170177.60000108.9Q47 V49 F108 H174 T176Q47-V149 PolarHBondContact O-N 2.8Å; V49-V149 HydrophobicContact CB-CG2 4.3Å; V49-V149 HydrophobicContact CG2-CG2 3.44Å; V49-V149 VanDerWaalsContact CG2-CG2 3.44Å; F108-V149 HydrophobicContact CD1-CG2 4.24Å; F108-V149 HydrophobicContact CE1-CG2 3.89Å; V149-H174 HydrophobicContact CG1-CB 4.06Å; V149-T176 HydrophobicContact CG2-CG2 4.09Å
150M79.7Confident74.5Confident86 Ų8664.6 Ų64.642%0.42438%0.376SS..EExtended strand (participates in β ladder)trans-74.8131.2-179.3-62.2-17670.200110.5G152 G153 R175M150-G152 PolarHBondContact O-N 2.88Å; M150-G153 PolarHBondContact O-N 2.86Å; M150-R175 PolarHBondContact N-O 3.1Å; M150-R175 HydrophobicContact SD-CB 4.38Å; M150-R175 HydrophobicContact SD-CG 3.75Å
151A74.4Confident76.2Confident82 Ų8268 Ų6868%0.67839%0.393SS*.EExtended strand (participates in β ladder)trans-59.2129.2172.300000110T44 G153T44-A151 HydrophobicContact CG2-CB 4.28Å; A151-G153 PolarHBondContact O-N 3.17Å
152G72.6Confident78.3Confident85 Ų8566.1 Ų66.188%0.87639%0.385SS*.EExtended strand (participates in β ladder)trans68.37.2-174.400000115M150 Q154M150-G152 PolarHBondContact O-N 2.88Å; G152-Q154 PolarHBondContact O-N 3.39Å; G152-Q154 VanDerWaalsContact O-N 3.13Å
153G77.6Confident80.1Confident15 Ų1562.7 Ų62.716%0.15538%0.377CS..EExtended strand (participates in β ladder)trans-81.123.3-176.400000115.1M150 A151 V155 R175M150-G153 PolarHBondContact O-N 2.86Å; A151-G153 PolarHBondContact O-N 3.17Å; G153-V155 PolarHBondContact O-N 3.2Å; G153-R175 VanDerWaalsContact O-CB 3.31Å; G153-R175 WeakPolarHBondContact O-CB 3.46Å; G153-R175 PolarHBondContact O-N 2.84Å
154Q86.3Confident82.1Confident125 Ų12555.5 Ų55.558%0.58435%0.35SS*.EExtended strand (participates in β ladder)trans-71.6130.7177-166172.447.700109.5G152 V173G152-Q154 PolarHBondContact O-N 3.39Å; G152-Q154 VanDerWaalsContact O-N 3.13Å; Q154-V173 WeakPolarHBondContact CA-O 3.26Å
155V89.7Confident84Confident27 Ų2756.9 Ų56.916%0.16435%0.348CS..EExtended strand (participates in β ladder)trans-110.8135.8179.1-176.50000108L109 G153 V157 L160 V173 R175L109-V155 HydrophobicContact CD2-CG2 4.46Å; G153-V155 PolarHBondContact O-N 3.2Å; V155-V157 PolarHBondContact O-N 3.44Å; V155-L160 HydrophobicContact CG1-CD2 3.94Å; V155-V173 HydrophobicContact CB-CB 4.33Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 PolarHBondContact N-O 2.91Å; V155-R175 HydrophobicContact CG2-CB 4.37Å
156G90.2Very high85.4Confident45 Ų4556.7 Ų56.746%0.46435%0.354SS..  trans-67.5130.1173.800000110.3A158 S159G156-A158 PolarHBondContact O-N 3.39Å; G156-S159 PolarHBondContact O-N 2.96Å; G156-S159 PolarHBondContact O-OG 2.72Å
157V90.2Very high87Confident35 Ų3553.3 Ų53.321%0.21234%0.341CS..G310 helixtrans-57.6-38.7177.4179.80000111V155 S159 L160 R165 R171 V173V155-V157 PolarHBondContact O-N 3.44Å; V157-S159 PolarHBondContact O-N 3.48Å; V157-L160 WeakPolarHBondContact O-CB 3.49Å; V157-L160 PolarHBondContact O-N 3.06Å; V157-R165 HydrophobicContact CG1-CG 4.11Å; V157-R171 WeakPolarHBondContact CG2-O 3.4Å; V157-V173 HydrophobicContact CG2-CG2 3.74Å
158A90.3Very high88Confident87 Ų8753.2 Ų53.272%0.71934%0.34SS*.G310 helixtrans-63.5-21.8179.400000114.1G156G156-A158 PolarHBondContact O-N 3.39Å
159S90.6Very high88.9Confident85 Ų8560 Ų6059%0.59437%0.366SS*.G310 helixtrans-86.8-5.2175.8660000113.5G156 V157G156-S159 PolarHBondContact O-N 2.96Å; G156-S159 PolarHBondContact O-OG 2.72Å; V157-S159 PolarHBondContact O-N 3.48Å
160L92.9Very high89.4Confident9 Ų966.2 Ų66.25%0.04740%0.399CS..SBendtrans-79.3142.8174.3-60.2179.8000109.9L109 V155 V157 L164 R165 V173L109-L160 HydrophobicContact CD2-CD2 3.85Å; V155-L160 HydrophobicContact CG1-CD2 3.94Å; V157-L160 WeakPolarHBondContact O-CB 3.49Å; V157-L160 PolarHBondContact O-N 3.06Å; L160-L164 HydrophobicContact CB-CB 4.24Å; L160-L164 HydrophobicContact CD1-CB 4.29Å; L160-R165 HydrophobicContact CB-CB 4.13Å; L160-R165 PolarHBondContact O-NE 3.48Å; L160-R165 PolarHBondContact O-NH2 3.44Å; L160-V173 HydrophobicContact CD1-CG1 4.34Å; L160-V173 HydrophobicContact CD1-CG2 3.91Å
161D93.5Very high90Very high93 Ų9364.5 Ų64.550%0.49739%0.387SS..PPolyproline II helixtrans-76162.1168.6-66.4-48.1000111.2L164 R165D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.33Å; D161-R165 PolarHBondContact O-N 2.95Å
162E94.4Very high90.9Very high93 Ų9363.2 Ų63.244%0.43537%0.371SS..THydrogen-bonded Turntrans-69.9142.3168.6-68.1-60.6162.400109.7T166E162-T166 VanDerWaalsContact CD-OG1 3.24Å; E162-T166 PolarHBondContact OE1-OG1 2.99Å; E162-T166 VanDerWaalsContact OE1-OG1 3.09Å; E162-T166 WeakPolarHBondContact OE2-CB 3.41Å; E162-T166 PolarHBondContact OE2-N 3.44Å; E162-T166 PolarHBondContact OE2-OG1 3.47Å
163P94.3Very high91.9Very high39 Ų3959.2 Ų59.225%0.25333%0.33SS..THydrogen-bonded Turncis-91.5-28.18.29.2000114.9L73 L89 R165 T166 L167L73-P163 HydrophobicContact CD1-CG 3.39Å; L73-P163 HydrophobicContact CD2-CG 4.05Å; L73-P163 HydrophobicContact CG-CG 4.34Å; L89-P163 HydrophobicContact CD1-CG 4.44Å; L89-P163 HydrophobicContact CD2-CB 3.83Å; L89-P163 HydrophobicContact CD2-CG 3.79Å; P163-R165 VanDerWaalsContact C-N 3.27Å; P163-R165 PolarHBondContact O-N 2.94Å; P163-T166 PolarHBondContact O-N 3.32Å; P163-L167 PolarHBondContact O-N 3.09Å
164L94.8Very high92.7Very high1 Ų160.2 Ų60.21%0.00533%0.33CS..Hα-helixtrans-62-36.1-173.3-60.8163.7000111.8L89 D91 L96 C98 L109 L160 D161 L167 C168L89-L164 HydrophobicContact CB-CD2 4.45Å; L89-L164 HydrophobicContact CD2-CD2 3.65Å; L89-L164 HydrophobicContact CD2-CG 4.15Å; L89-L164 HydrophobicContact CG-CD2 4.07Å; D91-L164 HydrophobicContact CB-CD1 4.33Å; L96-L164 HydrophobicContact CB-CD1 4.12Å; L96-L164 HydrophobicContact CD1-CD1 3.79Å; C98-L164 HydrophobicContact CB-CD2 3.3Å; L109-L164 HydrophobicContact CD1-CD1 4.49Å; L160-L164 HydrophobicContact CB-CB 4.24Å; L160-L164 HydrophobicContact CD1-CB 4.29Å; D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.33Å; L164-L167 PolarHBondContact O-N 2.92Å; L164-C168 PolarHBondContact O-N 2.92Å; L164-C168 VanDerWaalsContact O-N 3.17Å
165R95.5Very high93Very high94 Ų9459.7 Ų59.736%0.35532%0.323SS..Hα-helixtrans-60-48.9174.7-173.6-172.8-48.1172.211.1112.3V157 L160 D161 P163 C168 R169V157-R165 HydrophobicContact CG1-CG 4.11Å; L160-R165 HydrophobicContact CB-CB 4.13Å; L160-R165 PolarHBondContact O-NE 3.48Å; L160-R165 PolarHBondContact O-NH2 3.44Å; D161-R165 PolarHBondContact O-N 2.95Å; P163-R165 VanDerWaalsContact C-N 3.27Å; P163-R165 PolarHBondContact O-N 2.94Å; R165-C168 PolarHBondContact O-N 3.42Å; R165-R169 PolarHBondContact O-N 3Å; R165-R169 VanDerWaalsContact O-N 3.15Å
166T95.8Very high93Very high64 Ų6458.7 Ų58.739%0.39332%0.317SS..Hα-helixtrans-66.4-39.7179.3-710000111.8E162 P163 C168 R169E162-T166 VanDerWaalsContact CD-OG1 3.24Å; E162-T166 PolarHBondContact OE1-OG1 2.99Å; E162-T166 VanDerWaalsContact OE1-OG1 3.09Å; E162-T166 WeakPolarHBondContact OE2-CB 3.41Å; E162-T166 PolarHBondContact OE2-N 3.44Å; E162-T166 PolarHBondContact OE2-OG1 3.47Å; P163-T166 PolarHBondContact O-N 3.32Å; T166-C168 VanDerWaalsContact C-N 3.27Å; T166-C168 PolarHBondContact O-N 3.07Å; T166-R169 WeakPolarHBondContact O-CB 3.29Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 3.36Å; T166-R169 VanDerWaalsContact OG1-NH2 3.12Å
167L94.9Very high92.8Very high32 Ų3265.3 Ų65.317%0.16833%0.328CS..Hα-helixtrans-57.6-41.7176.6-174.368.8000112T87 L89 C98 Q100 P163 L164T87-L167 HydrophobicContact CG2-CD1 3.65Å; L89-L167 HydrophobicContact CB-CD2 3.65Å; L89-L167 HydrophobicContact CD2-CD2 4.2Å; C98-L167 HydrophobicContact CB-CD2 4.06Å; Q100-L167 HydrophobicContact CB-CD1 4.33Å; Q100-L167 HydrophobicContact CB-CG 4.19Å; Q100-L167 PolarHBondContact OE1-O 3.44Å; P163-L167 PolarHBondContact O-N 3.09Å; L164-L167 PolarHBondContact O-N 2.92Å
168C94.8Very high92.2Very high0 Ų065.6 Ų65.60%033%0.325CS..THydrogen-bonded Turntrans-102.921.1-175-65.50000114.5C98 C107 L164 R165 T166 D170 R171 V173C98-C168 PolarHBondContact SG-SG 2.97Å; C107-C168 HydrophobicContact CB-CB 3.77Å; C107-C168 WeakPolarHBondContact CB-SG 3.42Å; C107-C168 WeakPolarHBondContact SG-CA 3.39Å; C107-C168 WeakPolarHBondContact SG-CB 3.18Å; C107-C168 CovalentContact SG-SG 2.03Å; C107-C168 PolarHBondContact SG-SG 3.39Å; L164-C168 PolarHBondContact O-N 2.92Å; L164-C168 VanDerWaalsContact O-N 3.17Å; R165-C168 PolarHBondContact O-N 3.42Å; T166-C168 VanDerWaalsContact C-N 3.27Å; T166-C168 PolarHBondContact O-N 3.07Å; C168-D170 PolarHBondContact O-N 3.11Å; C168-R171 PolarHBondContact O-N 3.3Å; C168-R171 VanDerWaalsContact O-N 3.12Å; C168-V173 HydrophobicContact CB-CG2 3.74Å
169R94.3Very high91.3Very high143 Ų14363.3 Ų63.354%0.5430%0.302SS..THydrogen-bonded Turntrans-54.4135176.9-165.3178.3-63171.72.4110R165 T166 R171R165-R169 PolarHBondContact O-N 3Å; R165-R169 VanDerWaalsContact O-N 3.15Å; T166-R169 WeakPolarHBondContact O-CB 3.29Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-R169 PolarHBondContact OG1-NH2 3.36Å; T166-R169 VanDerWaalsContact OG1-NH2 3.12Å; R169-R171 PolarHBondContact O-N 2.9Å; R169-R171 VanDerWaalsContact O-N 3.12Å
170D91.3Very high89.8Confident151 Ų15170 Ų7081%0.80733%0.331SS*.THydrogen-bonded Turntrans63.111.1179.7-47.4-44.3000115.9C168C168-D170 PolarHBondContact O-N 3.11Å
171R92.3Very high89.6Confident49 Ų4973.1 Ų73.119%0.18535%0.345CS..SBendtrans-113.7154.3178.6-62.8179.4-176.5-131.31111.4P101 Q104 V157 C168 R169P101-R171 PolarHBondContact O-NH1 3.44Å; Q104-R171 PolarHBondContact O-NH1 2.94Å; V157-R171 WeakPolarHBondContact CG2-O 3.4Å; C168-R171 PolarHBondContact O-N 3.3Å; C168-R171 VanDerWaalsContact O-N 3.12Å; R169-R171 PolarHBondContact O-N 2.9Å; R169-R171 VanDerWaalsContact O-N 3.12Å
172T93.1Very high89.4Confident56 Ų5672 Ų7234%0.34434%0.337SS..EExtended strand (participates in β ladder)trans-79.5135170.365.80000110.3Q105 R106 C107 H174Q105-T172 PolarHBondContact O-N 3.04Å; R106-T172 CarbonylContact C-O 3.49Å; R106-T172 VanDerWaalsContact CA-O 3.25Å; R106-T172 WeakPolarHBondContact CA-O 3.38Å; R106-T172 WeakPolarHBondContact CG-OG1 3.39Å; C107-T172 PolarHBondContact N-O 3.44Å; T172-H174 PolarHBondContact OG1-NE2 2.86Å
173V94.6Very high89.2Confident1 Ų170.8 Ų70.81%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-103.2127.1179.4-179.50000109.1C107 L109 Q154 V155 V157 L160 C168C107-V173 HydrophobicContact CB-CG2 3.99Å; C107-V173 WeakPolarHBondContact O-CA 3.41Å; L109-V173 HydrophobicContact CB-CG1 3.79Å; Q154-V173 WeakPolarHBondContact CA-O 3.26Å; V155-V173 HydrophobicContact CB-CB 4.33Å; V155-V173 HydrophobicContact CB-CG1 4.11Å; V155-V173 PolarHBondContact N-O 2.91Å; V157-V173 HydrophobicContact CG2-CG2 3.74Å; L160-V173 HydrophobicContact CD1-CG1 4.34Å; L160-V173 HydrophobicContact CD1-CG2 3.91Å; C168-V173 HydrophobicContact CB-CG2 3.74Å
174H93Very high88.9Confident35 Ų3572.7 Ų72.716%0.16234%0.337CS..EExtended strand (participates in β ladder)trans-116.6127.3178.7-67.5-85.6000110.3C107 F108 L109 V149 T172C107-H174 PolarHBondContact O-N 3.24Å; F108-H174 WeakPolarHBondContact CA-O 3.35Å; F108-H174 HydrophobicContact CD1-CB 4.16Å; F108-H174 HydrophobicContact CE1-CB 4.38Å; L109-H174 PolarHBondContact N-O 3.41Å; V149-H174 HydrophobicContact CG1-CB 4.06Å; T172-H174 PolarHBondContact OG1-NE2 2.86Å
175R92.3Very high88.5Confident115 Ų11577.2 Ų77.243%0.43436%0.357SS..EExtended strand (participates in β ladder)trans-69.5132.9170.2-170.2172.3-77.5-155.1-4.7109.3L109 M150 G153 V155L109-R175 CarbonylContact O-C 3.59Å; L109-R175 WeakPolarHBondContact O-CA 3.23Å; M150-R175 PolarHBondContact N-O 3.1Å; M150-R175 HydrophobicContact SD-CB 4.38Å; M150-R175 HydrophobicContact SD-CG 3.75Å; G153-R175 VanDerWaalsContact O-CB 3.31Å; G153-R175 WeakPolarHBondContact O-CB 3.46Å; G153-R175 PolarHBondContact O-N 2.84Å; V155-R175 HydrophobicContact CG2-CB 4.37Å
176T90.1Very high88Confident5 Ų576.1 Ų76.13%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-126.1157.8-178.955.90000110.8F108 L109 L147 G148 V149F108-T176 HydrophobicContact CB-CG2 3.87Å; F108-T176 HydrophobicContact CD1-CG2 3.55Å; F108-T176 HydrophobicContact CG-CG2 4.12Å; L109-T176 PolarHBondContact O-N 3.49Å; L109-T176 PolarHBondContact O-OG1 3.42Å; L109-T176 VanDerWaalsContact O-OG1 3.07Å; L147-T176 HydrophobicContact CB-CG2 4.15Å; L147-T176 HydrophobicContact CD1-CG2 4.27Å; G148-T176 CarbonylContact O-C 3.59Å; G148-T176 VanDerWaalsContact O-CA 3.24Å; G148-T176 WeakPolarHBondContact O-CA 3.4Å; V149-T176 HydrophobicContact CG2-CG2 4.09Å
177R85.3Confident87.5Confident184 Ų18476.9 Ų76.969%0.69436%0.355SS*.EExtended strand (participates in β ladder)trans-128.6146.4170.9-171.4-177.4176.3179.4-0.2108.9G148 T179G148-R177 PolarHBondContact N-O 3.42Å; G148-R177 PolarHBondContact O-N 2.98Å; R177-T179 PolarHBondContact O-N 3.28Å
178R78.8Confident86.9Confident42 Ų4280.4 Ų80.416%0.15837%0.37CS..EExtended strand (participates in β ladder)trans-60.7130.8169.2-168.8171.9-79.1168.3-2109.4E113 S115 D116E113-R178 WeakPolarHBondContact OE1-CB 3.5Å; E113-R178 IonicContact OE2-CZ 3.75Å; E113-R178 IonicContact OE2-NE 3.74Å; E113-R178 IonicContact OE2-NH1 3.59Å; E113-R178 PolarHBondContact OE2-NH1 3.48Å; S115-R178 PolarHBondContact OG-NH1 3.04Å; D116-R178 IonicContact OD1-CZ 2.72Å; D116-R178 IonicContact OD1-NH2 2.86Å; D116-R178 PolarHBondContact OD1-NH2 3.2Å; D116-R178 IonicContact OD2-NH2 2.7Å; D116-R178 PolarHBondContact OD2-NH2 3.31Å
179T72.1Confident86.3Confident39 Ų3987.1 Ų87.124%0.23940%0.4CS..  trans-108.9133.2170.152.80000108F146 R177F146-T179 WeakPolarHBondContact CB-OG1 3.49Å; F146-T179 PolarHBondContact O-N 2.95Å; F146-T179 PolarHBondContact O-OG1 3.26Å; F146-T179 VanDerWaalsContact O-OG1 3.13Å; R177-T179 PolarHBondContact O-N 3.28Å
180N58.2Low85.5Confident225 Ų22582 Ų82100%1.20339%0.388SS*.  trans-78.70176.8-66.8-15.7000111.3

Retrieved 180 of 180 residues in 294.5 ms (Link to these results)