A0A077ZIP2_TRITR Loading...

Translation initiation factor IF 3

AlphaFold DB , UniProt , Accession A0A077ZIP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M58.8Low51.8Low243 Ų243169.1 Ų169.1100%1.19786%0.861SS**  0103.30-67.7-67.5-166.900108.5
2H47.9Very low52Low191 Ų191170.5 Ų170.588%0.88486%0.861SS**  trans-69.8130.4-179.4-71-52.4000112
3K48.5Very low51.8Low208 Ų208175.5 Ų175.590%0.90486%0.863SS**  trans-139.881155.1-75.6-165177.8-164.20108.8F5K3-F5 PolarHBondContact O-N 3.35Å
4Q56.2Low51.4Low185 Ų185171 Ų17186%0.86486%0.858SS**  trans-73.6108.3162.9-96.9169.4-4.800107.4L6Q4-L6 PolarHBondContact O-N 2.99Å
5F51.5Low51.3Low194 Ų194169.8 Ų169.885%0.85185%0.854SS**  trans-79.696.6179.9-162.2-99.7000108K3 P7K3-F5 PolarHBondContact O-N 3.35Å; F5-P7 WeakPolarHBondContact O-CD 3.24Å
6L47.3Very low51.6Low153 Ų153163.5 Ų163.580%0.80184%0.837SS**PPolyproline II helixtrans-64119171.6-75.4161.9000108.7Q4 K8Q4-L6 PolarHBondContact O-N 2.99Å; L6-K8 PolarHBondContact O-N 3.17Å
7P55.2Low51.5Low111 Ų111162.9 Ų162.972%0.72183%0.834SS**PPolyproline II helixtrans-66.9123.5173.427.2-30.8000108.4F5 V9F5-P7 WeakPolarHBondContact O-CD 3.24Å; P7-V9 PolarHBondContact O-N 3.09Å
8K58.2Low51.7Low199 Ų199163.8 Ų163.887%0.86583%0.831SS**PPolyproline II helixtrans-58.6120.9175.3-67.8178.1179178.90108.5L6 C10L6-K8 PolarHBondContact O-N 3.17Å; K8-C10 PolarHBondContact O-N 3.14Å
9V50.4Low51.9Low130 Ų130161.3 Ų161.379%0.78883%0.827SS**  trans-49.5103160.9-76.20000108.4P7 T11P7-V9 PolarHBondContact O-N 3.09Å; V9-T11 PolarHBondContact O-N 2.92Å
10C45.5Very low52Low132 Ų132158.5 Ų158.589%0.89282%0.822SS**  trans-79.884.3171.4-156.60000105.9K8 Q12K8-C10 PolarHBondContact O-N 3.14Å; C10-Q12 PolarHBondContact O-N 3.44Å
11T50.2Low52.1Low114 Ų114159.3 Ų159.370%0.69983%0.827SS**  trans-50.9125.2178.6-61.40000109.5V9 R13V9-T11 PolarHBondContact O-N 2.92Å; T11-R13 PolarHBondContact O-N 3.12Å
12Q54.2Low52.1Low186 Ų186158.2 Ų158.287%0.86981%0.809SS**  trans-37.8105.2173.5-78.8169.7-34.200110.4C10 S14C10-Q12 PolarHBondContact O-N 3.44Å; Q12-S14 PolarHBondContact O-N 3.32Å
13R49.2Very low52.6Low235 Ų235154 Ų15489%0.88780%0.802SS**  trans-67.997.9159.9-77.7-177.1171.2-176-3.4105.7T11 L15T11-R13 PolarHBondContact O-N 3.12Å; R13-L15 PolarHBondContact O-N 2.94Å
14S46.5Very low53.6Low113 Ų113150 Ų15079%0.7979%0.794SS**  trans-42.3108.6162.8173.10000107.7Q12 A16Q12-S14 PolarHBondContact O-N 3.32Å; S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 2.97Å
15L49.4Very low54.4Low153 Ų153147.1 Ų147.180%0.80179%0.785SS**  trans-71.393.3178.3-147.891.7000105.3R13 I17R13-L15 PolarHBondContact O-N 2.94Å; L15-I17 PolarHBondContact O-N 3.39Å
16A56.1Low55.3Low69 Ų69143.5 Ų143.557%0.5778%0.781SS**  trans-60108.2168.300000106.7S14 F18S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 2.97Å; A16-F18 VanDerWaalsContact C-N 3.27Å; A16-F18 HydrophobicContact CB-CE2 4.48Å; A16-F18 VanDerWaalsContact O-CD2 3.31Å; A16-F18 WeakPolarHBondContact O-CD2 3.43Å; A16-F18 PolarHBondContact O-N 3.47Å
17I50.7Low56.3Low154 Ų154139.5 Ų139.579%0.7976%0.763SS**  trans-66.895.3171.2-61.2172.1000104.9L15L15-I17 PolarHBondContact O-N 3.39Å
18F55Low57.1Low178 Ų178139.2 Ų139.278%0.78176%0.755SS**  trans-58.1125.3172.3-81.3-93.5000107.5A16 S20A16-F18 VanDerWaalsContact C-N 3.27Å; A16-F18 HydrophobicContact CB-CE2 4.48Å; A16-F18 VanDerWaalsContact O-CD2 3.31Å; A16-F18 WeakPolarHBondContact O-CD2 3.43Å; A16-F18 PolarHBondContact O-N 3.47Å; F18-S20 PolarHBondContact O-N 3.49Å; F18-S20 VanDerWaalsContact O-N 3.13Å
19P55.3Low57.5Low116 Ų116134.4 Ų134.475%0.75374%0.744SS**  trans-56.5125.2176.321.5-29.8000108.3L21P19-L21 PolarHBondContact O-N 3.22Å; P19-L21 VanDerWaalsContact O-N 3.16Å
20S54.5Low58.2Low106 Ų106135.4 Ų135.474%0.74174%0.74SS**  trans-12.9107171174.70000112.4F18 R22F18-S20 PolarHBondContact O-N 3.49Å; F18-S20 VanDerWaalsContact O-N 3.13Å; S20-R22 PolarHBondContact O-N 3.48Å
21L53.5Low59.1Low175 Ų175132.1 Ų132.192%0.91672%0.716SS**  trans-58.689.6163.9-164.581.3000105.7P19 S23P19-L21 PolarHBondContact O-N 3.22Å; P19-L21 VanDerWaalsContact O-N 3.16Å; L21-S23 PolarHBondContact O-N 3.26Å
22R59.9Low60Low220 Ų220131.4 Ų131.483%0.8371%0.707SS**  trans-57.6113.6-177.9-159.9175.7-155.3-173.24.5105.4S20 V24S20-R22 PolarHBondContact O-N 3.48Å; R22-V24 PolarHBondContact O-N 3.11Å
23S58.2Low60.6Low103 Ų103124.9 Ų124.972%0.7268%0.678SS**  trans-52.1106.2176.6-171.60000106.9L21 D25L21-S23 PolarHBondContact O-N 3.26Å; S23-D25 PolarHBondContact O-N 3Å
24V68.6Low61.5Low123 Ų123117.6 Ų117.675%0.74566%0.657SS**  trans-79.6110.8171.6-178.30000103.8R22R22-V24 PolarHBondContact O-N 3.11Å
25D73.4Confident62.4Low125 Ų125118.4 Ų118.467%0.66865%0.651SS**  trans-53.5137.3176.4-62.7-56.8000108.9S23 V27S23-D25 PolarHBondContact O-N 3Å; D25-V27 PolarHBondContact O-N 3.17Å
26P69.5Low63.4Low118 Ų118117.8 Ų117.877%0.76665%0.648SS**  trans-58.5114.3178.524.5-32.6000108.5D28P26-D28 PolarHBondContact O-N 3.28Å
27V68.9Low64.2Low69 Ų69115.8 Ų115.842%0.41863%0.627SS.*  trans-68.7128.4175.9-178.30000107.9D25 T31 L32D25-V27 PolarHBondContact O-N 3.17Å; V27-T31 HydrophobicContact CG1-CG2 3.7Å; V27-L32 HydrophobicContact CB-CD2 4.04Å; V27-L32 HydrophobicContact CB-CG 4.16Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-L32 HydrophobicContact CG1-CG 3.79Å
28D72.1Confident65.7Low105 Ų105112.3 Ų112.356%0.56161%0.61SS**  trans-55.6139.4175.5-56.1-71.7000110.3P26 E30 T31 L32P26-D28 PolarHBondContact O-N 3.28Å; D28-E30 PolarHBondContact O-N 2.73Å; D28-E30 VanDerWaalsContact O-N 3.1Å; D28-T31 WeakPolarHBondContact O-CB 3.4Å; D28-T31 PolarHBondContact O-N 3.04Å; D28-L32 PolarHBondContact O-N 2.69Å
29P65.6Low66.8Low98 Ų98108.6 Ų108.664%0.63660%0.604SS**Hα-helixtrans-59.2-27.7-178.223.7-33.6000112.5L32 L33P29-L32 PolarHBondContact O-N 3.15Å; P29-L33 PolarHBondContact O-N 3.48Å
30E66.4Low68.1Low152 Ų152108.5 Ų108.571%0.7159%0.593SS**Hα-helixtrans-64.8-40.5174-59.2-171.1139.200112.1D28 L33 N34D28-E30 PolarHBondContact O-N 2.73Å; D28-E30 VanDerWaalsContact O-N 3.1Å; E30-L33 WeakPolarHBondContact O-CB 3.41Å; E30-L33 PolarHBondContact O-N 2.85Å; E30-N34 PolarHBondContact O-N 3.17Å
31T64.8Low69.4Low63 Ų63104.1 Ų104.139%0.38756%0.561SS.*Hα-helixtrans-67.5-42177.5-56.50000110.7V27 D28 L33 N34 I35V27-T31 HydrophobicContact CG1-CG2 3.7Å; D28-T31 WeakPolarHBondContact O-CB 3.4Å; D28-T31 PolarHBondContact O-N 3.04Å; T31-L33 VanDerWaalsContact C-N 3.25Å; T31-L33 PolarHBondContact O-N 3.12Å; T31-N34 PolarHBondContact O-N 3.26Å; T31-I35 HydrophobicContact CG2-CD1 4.05Å; T31-I35 WeakPolarHBondContact O-CD1 3.24Å; T31-I35 VanDerWaalsContact O-CG1 3.26Å; T31-I35 WeakPolarHBondContact O-CG1 3.15Å; T31-I35 PolarHBondContact O-N 2.88Å; T31-I35 VanDerWaalsContact O-N 3.09Å
32L68.7Low70.9Confident98 Ų98102.2 Ų102.251%0.51354%0.542SS..Hα-helixtrans-60.5-37.9174.3-66.8176.7000112V27 D28 P29 I35 L36V27-L32 HydrophobicContact CB-CD2 4.04Å; V27-L32 HydrophobicContact CB-CG 4.16Å; V27-L32 HydrophobicContact CG1-CD2 3.75Å; V27-L32 HydrophobicContact CG1-CG 3.79Å; D28-L32 PolarHBondContact O-N 2.69Å; P29-L32 PolarHBondContact O-N 3.15Å; L32-I35 PolarHBondContact O-N 2.72Å; L32-L36 WeakPolarHBondContact O-CB 3.34Å; L32-L36 PolarHBondContact O-N 3.37Å; L32-L36 VanDerWaalsContact O-N 3.11Å
33L67.2Low72.1Confident49 Ų4999.4 Ų99.426%0.25754%0.538SS..Hα-helixtrans-65-46.7176-99.2164.4000112.6P29 E30 T31 I35 L36 E37 L69P29-L33 PolarHBondContact O-N 3.48Å; E30-L33 WeakPolarHBondContact O-CB 3.41Å; E30-L33 PolarHBondContact O-N 2.85Å; T31-L33 VanDerWaalsContact C-N 3.25Å; T31-L33 PolarHBondContact O-N 3.12Å; L33-I35 PolarHBondContact O-N 2.9Å; L33-L36 PolarHBondContact O-N 2.8Å; L33-L36 VanDerWaalsContact O-N 3.14Å; L33-E37 VanDerWaalsContact O-CB 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.38Å; L33-E37 PolarHBondContact O-N 3.09Å; L33-L69 HydrophobicContact CD1-CB 4.19Å; L33-L69 HydrophobicContact CD1-CD1 3.47Å; L33-L69 VanDerWaalsContact CD1-CD1 3.47Å; L33-L69 HydrophobicContact CD1-CG 4.46Å; L33-L69 HydrophobicContact CD2-CD1 3.15Å; L33-L69 HydrophobicContact CG-CD1 3.8Å
34N68.2Low73.5Confident83 Ų8398.2 Ų98.244%0.44452%0.523SS..Hα-helixtrans-63-30.5178.6-77.6-1.5000112.6E30 T31 K66E30-N34 PolarHBondContact O-N 3.17Å; T31-N34 PolarHBondContact O-N 3.26Å; N34-K66 WeakPolarHBondContact OD1-CE 3.32Å; N34-K66 PolarHBondContact OD1-NZ 2.93Å
35I65.5Low74.6Confident129 Ų12997.3 Ų97.366%0.66251%0.514SS*.Hα-helixtrans-75-32.9176.1-63.6162.8000111.3T31 L32 L33T31-I35 HydrophobicContact CG2-CD1 4.05Å; T31-I35 WeakPolarHBondContact O-CD1 3.24Å; T31-I35 VanDerWaalsContact O-CG1 3.26Å; T31-I35 WeakPolarHBondContact O-CG1 3.15Å; T31-I35 PolarHBondContact O-N 2.88Å; T31-I35 VanDerWaalsContact O-N 3.09Å; L32-I35 PolarHBondContact O-N 2.72Å; L33-I35 PolarHBondContact O-N 2.9Å
36L69.1Low75.4Confident141 Ų14191.4 Ų91.474%0.73848%0.482SS*.Hα-helixtrans-86.6-18.5-178.6-16568.5000113.3L32 L33L32-L36 WeakPolarHBondContact O-CB 3.34Å; L32-L36 PolarHBondContact O-N 3.37Å; L32-L36 VanDerWaalsContact O-N 3.11Å; L33-L36 PolarHBondContact O-N 2.8Å; L33-L36 VanDerWaalsContact O-N 3.14Å
37E73.3Confident76.5Confident26 Ų2688.1 Ų88.112%0.12146%0.458CS..SBendtrans-69.7130.1-179.1-179.2168.6-108.200111.5L33 R42 A62 K66L33-E37 VanDerWaalsContact O-CB 3.32Å; L33-E37 WeakPolarHBondContact O-CB 3.38Å; L33-E37 PolarHBondContact O-N 3.09Å; E37-R42 IonicContact OE2-CZ 2.79Å; E37-R42 IonicContact OE2-NE 2.67Å; E37-R42 PolarHBondContact OE2-NE 2.95Å; E37-R42 VanDerWaalsContact OE2-NE 3.17Å; E37-R42 IonicContact OE2-NH2 3.49Å; E37-R42 PolarHBondContact OE2-NH2 2.94Å; E37-A62 VanDerWaalsContact CD-CB 3.42Å; E37-A62 HydrophobicContact CG-CB 4.23Å; E37-A62 WeakPolarHBondContact OE1-CA 3.34Å; E37-A62 WeakPolarHBondContact OE1-CB 3.41Å; E37-K66 WeakPolarHBondContact OE1-CE 3.48Å; E37-K66 IonicContact OE1-NZ 2.85Å; E37-K66 VanDerWaalsContact OE2-CE 3.29Å; E37-K66 WeakPolarHBondContact OE2-CE 3.39Å; E37-K66 IonicContact OE2-NZ 3.07Å; E37-K66 PolarHBondContact OE2-NZ 2.57Å
38N81Confident77.6Confident82 Ų8284.8 Ų84.844%0.43944%0.438SS..  trans-76.1138.4175.9-57.9-54.9000109.4E40 D41N38-E40 HydrophobicContact CB-CG 3.78Å; N38-E40 WeakPolarHBondContact CB-OE1 3.38Å; N38-E40 PolarHBondContact O-N 3.45Å; N38-D41 WeakPolarHBondContact O-CB 3.27Å; N38-D41 PolarHBondContact O-N 2.98Å; N38-D41 VanDerWaalsContact O-N 3.09Å
39P78.2Confident78.6Confident100 Ų10080.6 Ų80.665%0.64942%0.415SS*.THydrogen-bonded Turntrans-61.4-31.818024.5-33.4000112.6D41 R42P39-D41 PolarHBondContact O-N 3.44Å; P39-R42 WeakPolarHBondContact O-CB 3.48Å; P39-R42 PolarHBondContact O-N 3.34Å
40E82.6Confident79.7Confident114 Ų11477.2 Ų77.253%0.53339%0.392SS..Hα-helixtrans-60.7-27.2176.665.2-151.5115.400113.2N38 R42 E43 I44N38-E40 HydrophobicContact CB-CG 3.78Å; N38-E40 WeakPolarHBondContact CB-OE1 3.38Å; N38-E40 PolarHBondContact O-N 3.45Å; E40-R42 PolarHBondContact O-N 3.35Å; E40-E43 PolarHBondContact O-N 2.87Å; E40-I44 WeakPolarHBondContact O-CG1 3.32Å
41D83.2Confident80.5Confident14 Ų1472.4 Ų72.48%0.07538%0.375CS..Hα-helixtrans-68.8-18176.8-65.8-52000112.5N38 P39 L61 A62 K65N38-D41 WeakPolarHBondContact O-CB 3.27Å; N38-D41 PolarHBondContact O-N 2.98Å; N38-D41 VanDerWaalsContact O-N 3.09Å; P39-D41 PolarHBondContact O-N 3.44Å; D41-L61 HydrophobicContact CB-CB 4.42Å; D41-L61 HydrophobicContact CB-CD2 4.25Å; D41-L61 HydrophobicContact CB-CG 4.31Å; D41-L61 WeakPolarHBondContact O-CB 3.37Å; D41-L61 PolarHBondContact O-N 2.88Å; D41-L61 WeakPolarHBondContact OD1-CD2 3.28Å; D41-A62 HydrophobicContact CB-CB 4.29Å; D41-A62 PolarHBondContact O-N 3.25Å; D41-A62 VanDerWaalsContact O-N 3.07Å; D41-K65 IonicContact OD1-NZ 3.43Å; D41-K65 PolarHBondContact OD1-NZ 3.25Å; D41-K65 IonicContact OD2-NZ 3.5Å; D41-K65 PolarHBondContact OD2-NZ 2.88Å
42R85.2Confident81.4Confident134 Ų13475.3 Ų75.351%0.50639%0.388SS..Hα-helixtrans-82.3-24.7179.6-63.4-174.3175.2-159.71.6112.9E37 P39 E40 A62E37-R42 IonicContact OE2-CZ 2.79Å; E37-R42 IonicContact OE2-NE 2.67Å; E37-R42 PolarHBondContact OE2-NE 2.95Å; E37-R42 VanDerWaalsContact OE2-NE 3.17Å; E37-R42 IonicContact OE2-NH2 3.49Å; E37-R42 PolarHBondContact OE2-NH2 2.94Å; P39-R42 WeakPolarHBondContact O-CB 3.48Å; P39-R42 PolarHBondContact O-N 3.34Å; E40-R42 PolarHBondContact O-N 3.35Å; R42-A62 HydrophobicContact CB-CB 4.47Å; R42-A62 HydrophobicContact CG-CB 3.66Å
43E85.3Confident82Confident162 Ų16275.5 Ų75.576%0.75739%0.39SS*.Hα-helixtrans-83.1-22.5-178.8-61.818093.600111.8E40 L45E40-E43 PolarHBondContact O-N 2.87Å; E43-L45 PolarHBondContact O-N 3.15Å
44I87.7Confident83.1Confident77 Ų7777.8 Ų77.840%0.39540%0.402SS..  trans-86.3113.3-177.7-56.7167.4000109.7E40 I46 S60 L61E40-I44 WeakPolarHBondContact O-CG1 3.32Å; I44-I46 HydrophobicContact CG2-CG2 3.82Å; I44-S60 CarbonylContact O-C 3.57Å; I44-S60 WeakPolarHBondContact O-CA 3.32Å; I44-L61 HydrophobicContact CB-CB 4.25Å; I44-L61 HydrophobicContact CD1-CD2 4.23Å; I44-L61 HydrophobicContact CG2-CB 4.48Å; I44-L61 PolarHBondContact O-N 2.91Å
45L90.4Very high83.9Confident105 Ų10578.3 Ų78.355%0.5541%0.412SS..EExtended strand (participates in β ladder)trans-85130.6170.9-66.2176.1000110.4E43 T58 V86E43-L45 PolarHBondContact O-N 3.15Å; L45-T58 HydrophobicContact CB-CG2 4.12Å; L45-V86 WeakPolarHBondContact O-CG1 3.48Å
46I91.4Very high85Confident0 Ų075.1 Ų75.10%040%0.396CS..EExtended strand (participates in β ladder)trans-130.1151.3-179.669.5161.6000110.6I44 V48 T58 M59 L61 A64 L75 P87 Y89I44-I46 HydrophobicContact CG2-CG2 3.82Å; I46-V48 HydrophobicContact CD1-CG2 3.84Å; I46-V48 HydrophobicContact CG1-CG2 3.91Å; I46-T58 WeakPolarHBondContact O-CA 3.46Å; I46-M59 PolarHBondContact N-O 3.14Å; I46-M59 PolarHBondContact O-N 3.45Å; I46-M59 VanDerWaalsContact O-O 3.08Å; I46-L61 HydrophobicContact CD1-CB 4.44Å; I46-L61 HydrophobicContact CD1-CD1 3.75Å; I46-L61 HydrophobicContact CG2-CB 4.12Å; I46-L61 HydrophobicContact CG2-CD1 4.4Å; I46-A64 HydrophobicContact CD1-CB 3.6Å; I46-A64 HydrophobicContact CG1-CB 4.19Å; I46-L75 HydrophobicContact CD1-CD2 3.87Å; I46-P87 HydrophobicContact CB-CG 4.37Å; I46-P87 HydrophobicContact CG2-CG 3.85Å; I46-Y89 HydrophobicContact CB-CD2 3.78Å; I46-Y89 HydrophobicContact CB-CE2 4.01Å; I46-Y89 HydrophobicContact CD1-CD1 4.46Å; I46-Y89 HydrophobicContact CD1-CD2 3.55Å; I46-Y89 HydrophobicContact CD1-CE2 4.07Å; I46-Y89 HydrophobicContact CD1-CG 3.77Å; I46-Y89 HydrophobicContact CG1-CD2 4.28Å; I46-Y89 HydrophobicContact CG2-CD2 4.03Å; I46-Y89 HydrophobicContact CG2-CE2 3.71Å
47N91.7Very high86Confident49 Ų4969.7 Ų69.726%0.26237%0.374SS..EExtended strand (participates in β ladder)trans-95.4126.4172.9-159.329.3000109.4G57 P87 L88 Y89N47-G57 VanDerWaalsContact OD1-C 3.29Å; N47-G57 PolarHBondContact OD1-O 2.74Å; N47-P87 PolarHBondContact N-O 3.38Å; N47-L88 HydrophobicContact CB-CD1 4.04Å; N47-L88 WeakPolarHBondContact O-CA 3.27Å; N47-Y89 PolarHBondContact O-N 3.04Å
48V92.9Very high86.9Confident0 Ų072.5 Ų72.50%039%0.393CS..EExtended strand (participates in β ladder)trans-113.1132.6-173.2-1710000110.9I46 L56 G57 M59 A64 L75 Y89 L91I46-V48 HydrophobicContact CD1-CG2 3.84Å; I46-V48 HydrophobicContact CG1-CG2 3.91Å; V48-L56 HydrophobicContact CB-CB 4.38Å; V48-L56 HydrophobicContact CG1-CD1 3.98Å; V48-L56 PolarHBondContact O-N 3.04Å; V48-G57 PolarHBondContact N-O 3.05Å; V48-M59 HydrophobicContact CB-CE 4.21Å; V48-M59 HydrophobicContact CB-SD 4.45Å; V48-M59 HydrophobicContact CG2-CE 4.21Å; V48-M59 HydrophobicContact CG2-CG 3.77Å; V48-M59 HydrophobicContact CG2-SD 3.89Å; V48-A64 HydrophobicContact CG2-CB 3.7Å; V48-L75 HydrophobicContact CG1-CD1 4.11Å; V48-Y89 CarbonylContact C-O 3.54Å; V48-Y89 WeakPolarHBondContact CA-O 3.26Å; V48-L91 HydrophobicContact CG1-CD1 4.32Å; V48-L91 HydrophobicContact CG1-CD2 4.46Å; V48-L91 HydrophobicContact CG1-CG 3.95Å
49I92.4Very high87.4Confident17 Ų1770 Ų709%0.08738%0.379CS..EExtended strand (participates in β ladder)trans-117.9147.7171.465.5168.4000111.1N54 I78 L88 Y89 R90 L91I49-N54 CarbonylContact C-O 3.54Å; I49-N54 WeakPolarHBondContact CA-O 3.43Å; I49-I78 HydrophobicContact CD1-CD1 3.38Å; I49-I78 HydrophobicContact CG1-CD1 3.85Å; I49-L88 HydrophobicContact CG2-CD1 3.86Å; I49-Y89 WeakPolarHBondContact CG1-O 3.48Å; I49-Y89 PolarHBondContact N-O 2.87Å; I49-R90 HydrophobicContact CD1-CB 4.13Å; I49-R90 HydrophobicContact CD1-CG 4.29Å; I49-R90 HydrophobicContact CG1-CB 3.71Å; I49-R90 HydrophobicContact CG1-CG 3.99Å; I49-R90 CarbonylContact O-C 3.56Å; I49-R90 VanDerWaalsContact O-CA 3.31Å; I49-R90 WeakPolarHBondContact O-CA 3.21Å; I49-L91 PolarHBondContact O-N 3.02Å
50D89.3Confident88Confident27 Ų2765.8 Ų65.814%0.14435%0.352CS..  trans-82.7171.5176.8-151.3-18.4000112N52 D53 N54 L56 K71D50-N52 PolarHBondContact O-N 3.33Å; D50-D53 PolarHBondContact O-N 3.48Å; D50-D53 VanDerWaalsContact O-N 3.09Å; D50-N54 HydrophobicContact CB-CB 4.28Å; D50-N54 PolarHBondContact N-O 3.46Å; D50-L56 HydrophobicContact CB-CD1 4.32Å; D50-K71 IonicContact OD2-NZ 2.84Å
51S82Confident88.4Confident51 Ų5161 Ų6136%0.35733%0.331SS..THydrogen-bonded Turntrans-60.9-23.2172.8-69.50000113.1D53 L91S51-D53 VanDerWaalsContact C-N 3.32Å; S51-L91 PolarHBondContact N-O 3.36Å; S51-L91 PolarHBondContact OG-O 3Å
52N84.7Confident88.6Confident124 Ų12460.4 Ų60.466%0.66333%0.327SS*.THydrogen-bonded Turntrans-93.819.9176.2-63.4-35.8000112.8D50 N54D50-N52 PolarHBondContact O-N 3.33Å; N52-N54 PolarHBondContact O-N 3.3Å
53D81.5Confident88.8Confident102 Ų10258 Ų5855%0.54532%0.324SS..SBendtrans59.316-178.5-63.7-54.5000115.4D50 S51 R90D50-D53 PolarHBondContact O-N 3.48Å; D50-D53 VanDerWaalsContact O-N 3.09Å; S51-D53 VanDerWaalsContact C-N 3.32Å; D53-R90 IonicContact OD1-CZ 2.71Å; D53-R90 IonicContact OD1-NE 3.17Å; D53-R90 IonicContact OD1-NH2 2.84Å; D53-R90 PolarHBondContact OD1-NH2 2.96Å
54N88.6Confident89.1Confident96 Ų9650.3 Ų50.351%0.51329%0.289SS..  trans-74.9127.1171.8-66.3-37.2000110.4I49 D50 N52 L56I49-N54 CarbonylContact C-O 3.54Å; I49-N54 WeakPolarHBondContact CA-O 3.43Å; D50-N54 HydrophobicContact CB-CB 4.28Å; D50-N54 PolarHBondContact N-O 3.46Å; N52-N54 PolarHBondContact O-N 3.3Å; N54-L56 PolarHBondContact O-N 2.94Å
55S86.9Confident89.2Confident94 Ų9450.1 Ų50.166%0.65729%0.285SS*.EExtended strand (participates in β ladder)trans-78.3114.8175.2-63.40000110.4G57S55-G57 VanDerWaalsContact C-N 3.28Å
56L88.2Confident89.1Confident63 Ų6347.6 Ų47.633%0.3327%0.269SS..EExtended strand (participates in β ladder)trans-81.5-12.4178.5-67.6163.3000112.3V48 D50 N54 M59 M67 L91V48-L56 HydrophobicContact CB-CB 4.38Å; V48-L56 HydrophobicContact CG1-CD1 3.98Å; V48-L56 PolarHBondContact O-N 3.04Å; D50-L56 HydrophobicContact CB-CD1 4.32Å; N54-L56 PolarHBondContact O-N 2.94Å; L56-M59 HydrophobicContact CB-CE 3.96Å; L56-M67 HydrophobicContact CD1-SD 3.74Å; L56-M67 HydrophobicContact CD2-SD 4.45Å; L56-L91 HydrophobicContact CD1-CD1 3.69Å
57G90.5Very high88.9Confident27 Ų2750.3 Ų50.328%0.27828%0.283SS..EExtended strand (participates in β ladder)trans101-174.2178.500000113.1N47 V48 S55N47-G57 VanDerWaalsContact OD1-C 3.29Å; N47-G57 PolarHBondContact OD1-O 2.74Å; V48-G57 PolarHBondContact N-O 3.05Å; S55-G57 VanDerWaalsContact C-N 3.28Å
58T90.8Very high88.7Confident84 Ų8448.2 Ų48.252%0.51527%0.272SS..EExtended strand (participates in β ladder)trans-87.9125.5177.4-52.20000109.9L45 I46 V86L45-T58 HydrophobicContact CB-CG2 4.12Å; I46-T58 WeakPolarHBondContact O-CA 3.46Å; T58-V86 HydrophobicContact CG2-CG1 4.28Å
59M91.2Very high88.3Confident29 Ų2952.6 Ų52.614%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-144.9169.8178.765-171.771.400110.2I46 V48 L56 D63 A64 M67I46-M59 PolarHBondContact N-O 3.14Å; I46-M59 PolarHBondContact O-N 3.45Å; I46-M59 VanDerWaalsContact O-O 3.08Å; V48-M59 HydrophobicContact CB-CE 4.21Å; V48-M59 HydrophobicContact CB-SD 4.45Å; V48-M59 HydrophobicContact CG2-CE 4.21Å; V48-M59 HydrophobicContact CG2-CG 3.77Å; V48-M59 HydrophobicContact CG2-SD 3.89Å; L56-M59 HydrophobicContact CB-CE 3.96Å; M59-D63 HydrophobicContact CB-CB 4.45Å; M59-A64 HydrophobicContact CG-CB 4.03Å; M59-A64 HydrophobicContact SD-CB 3.97Å; M59-M67 HydrophobicContact CE-CE 3.81Å; M59-M67 HydrophobicContact SD-CE 3.92Å
60S91.6Very high88Confident12 Ų1255.9 Ų55.98%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-67.7151.6175.472.40000111.1I44 A62 D63 A64I44-S60 CarbonylContact O-C 3.57Å; I44-S60 WeakPolarHBondContact O-CA 3.32Å; S60-A62 PolarHBondContact O-N 2.77Å; S60-D63 PolarHBondContact O-N 2.75Å; S60-D63 WeakPolarHBondContact OG-CB 3.22Å; S60-D63 PolarHBondContact OG-N 2.79Å; S60-D63 PolarHBondContact OG-OD2 3.26Å; S60-A64 WeakPolarHBondContact O-CB 3.32Å; S60-A64 PolarHBondContact O-N 2.93Å
61L90.2Very high87.8Confident15 Ų1558.7 Ų58.78%0.07934%0.336CS..Hα-helixtrans-58.9-37175.7175.365.6000110.9D41 I44 I46 A64 K65 L75 Y89D41-L61 HydrophobicContact CB-CB 4.42Å; D41-L61 HydrophobicContact CB-CD2 4.25Å; D41-L61 HydrophobicContact CB-CG 4.31Å; D41-L61 WeakPolarHBondContact O-CB 3.37Å; D41-L61 PolarHBondContact O-N 2.88Å; D41-L61 WeakPolarHBondContact OD1-CD2 3.28Å; I44-L61 HydrophobicContact CB-CB 4.25Å; I44-L61 HydrophobicContact CD1-CD2 4.23Å; I44-L61 HydrophobicContact CG2-CB 4.48Å; I44-L61 PolarHBondContact O-N 2.91Å; I46-L61 HydrophobicContact CD1-CB 4.44Å; I46-L61 HydrophobicContact CD1-CD1 3.75Å; I46-L61 HydrophobicContact CG2-CB 4.12Å; I46-L61 HydrophobicContact CG2-CD1 4.4Å; L61-A64 PolarHBondContact O-N 3.01Å; L61-K65 VanDerWaalsContact O-CG 3.3Å; L61-K65 WeakPolarHBondContact O-CG 3.48Å; L61-K65 PolarHBondContact O-N 2.88Å; L61-L75 HydrophobicContact CD1-CD2 3.76Å; L61-Y89 HydrophobicContact CD1-CE1 4.5Å
62A89Confident87.9Confident1 Ų161.1 Ų61.11%0.00835%0.352CS..Hα-helixtrans-52.3-57.5169.100000113.3E37 D41 R42 S60 A64 K65 K66E37-A62 VanDerWaalsContact CD-CB 3.42Å; E37-A62 HydrophobicContact CG-CB 4.23Å; E37-A62 WeakPolarHBondContact OE1-CA 3.34Å; E37-A62 WeakPolarHBondContact OE1-CB 3.41Å; D41-A62 HydrophobicContact CB-CB 4.29Å; D41-A62 PolarHBondContact O-N 3.25Å; D41-A62 VanDerWaalsContact O-N 3.07Å; R42-A62 HydrophobicContact CB-CB 4.47Å; R42-A62 HydrophobicContact CG-CB 3.66Å; S60-A62 PolarHBondContact O-N 2.77Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 2.9Å; A62-K65 WeakPolarHBondContact O-CB 3.34Å; A62-K65 PolarHBondContact O-N 3.46Å; A62-K66 PolarHBondContact O-N 3.43Å
63D89.7Confident88.1Confident83 Ų8357 Ų5744%0.44433%0.33SS..Hα-helixtrans-64.2-37.2-178.8-62.5-35.5000111.9M59 S60 K66 M67M59-D63 HydrophobicContact CB-CB 4.45Å; S60-D63 PolarHBondContact O-N 2.75Å; S60-D63 WeakPolarHBondContact OG-CB 3.22Å; S60-D63 PolarHBondContact OG-N 2.79Å; S60-D63 PolarHBondContact OG-OD2 3.26Å; D63-K66 PolarHBondContact O-N 3.44Å; D63-M67 WeakPolarHBondContact O-CB 3.49Å; D63-M67 PolarHBondContact O-N 3.18Å
64A90.8Very high88.4Confident1 Ų160.6 Ų60.61%0.00834%0.335CS..Hα-helixtrans-64.5-40.3175.800000112.4I46 V48 M59 S60 L61 A62 M67 A68 L75I46-A64 HydrophobicContact CD1-CB 3.6Å; I46-A64 HydrophobicContact CG1-CB 4.19Å; V48-A64 HydrophobicContact CG2-CB 3.7Å; M59-A64 HydrophobicContact CG-CB 4.03Å; M59-A64 HydrophobicContact SD-CB 3.97Å; S60-A64 WeakPolarHBondContact O-CB 3.32Å; S60-A64 PolarHBondContact O-N 2.93Å; L61-A64 PolarHBondContact O-N 3.01Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 2.9Å; A64-M67 PolarHBondContact O-N 2.97Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.18Å; A64-L75 HydrophobicContact CB-CD1 4.16Å; A64-L75 HydrophobicContact CB-CD2 3.77Å
65K89.6Confident88.4Confident72 Ų7257.4 Ų57.431%0.31332%0.318SS..Hα-helixtrans-62.9-42.7174-75.9174.4-173.5176.10110.9D41 L61 A62 A68 L69 L75D41-K65 IonicContact OD1-NZ 3.43Å; D41-K65 PolarHBondContact OD1-NZ 3.25Å; D41-K65 IonicContact OD2-NZ 3.5Å; D41-K65 PolarHBondContact OD2-NZ 2.88Å; L61-K65 VanDerWaalsContact O-CG 3.3Å; L61-K65 WeakPolarHBondContact O-CG 3.48Å; L61-K65 PolarHBondContact O-N 2.88Å; A62-K65 WeakPolarHBondContact O-CB 3.34Å; A62-K65 PolarHBondContact O-N 3.46Å; K65-A68 WeakPolarHBondContact O-CB 3.5Å; K65-A68 PolarHBondContact O-N 3.08Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.14Å; K65-L75 HydrophobicContact CG-CD2 4.18Å
66K88Confident88.6Confident52 Ų5254.9 Ų54.923%0.22630%0.299CS..Hα-helixtrans-61.5-45.7175.1-70.2173.7-168.6168.80111.7N34 E37 A62 D63 A68 L69 A70N34-K66 WeakPolarHBondContact OD1-CE 3.32Å; N34-K66 PolarHBondContact OD1-NZ 2.93Å; E37-K66 WeakPolarHBondContact OE1-CE 3.48Å; E37-K66 IonicContact OE1-NZ 2.85Å; E37-K66 VanDerWaalsContact OE2-CE 3.29Å; E37-K66 WeakPolarHBondContact OE2-CE 3.39Å; E37-K66 IonicContact OE2-NZ 3.07Å; E37-K66 PolarHBondContact OE2-NZ 2.57Å; A62-K66 PolarHBondContact O-N 3.43Å; D63-K66 PolarHBondContact O-N 3.44Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 3.4Å; K66-L69 PolarHBondContact O-N 2.91Å; K66-A70 WeakPolarHBondContact O-CB 3.39Å; K66-A70 PolarHBondContact O-N 3.08Å
67M87.4Confident88.7Confident58 Ų5855.6 Ų55.629%0.28630%0.3SS..Hα-helixtrans-62-40.6176.7-171.3-179.8-60.300112L56 M59 D63 A64 L69 A70 K71 L91L56-M67 HydrophobicContact CD1-SD 3.74Å; L56-M67 HydrophobicContact CD2-SD 4.45Å; M59-M67 HydrophobicContact CE-CE 3.81Å; M59-M67 HydrophobicContact SD-CE 3.92Å; D63-M67 WeakPolarHBondContact O-CB 3.49Å; D63-M67 PolarHBondContact O-N 3.18Å; A64-M67 PolarHBondContact O-N 2.97Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L69 PolarHBondContact O-N 3.18Å; M67-A70 PolarHBondContact O-N 2.71Å; M67-K71 HydrophobicContact CG-CD 4.18Å; M67-K71 WeakPolarHBondContact O-CB 3.37Å; M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.84Å; M67-L91 HydrophobicContact CG-CD1 4.44Å; M67-L91 HydrophobicContact SD-CD1 4.32Å
68A87.8Confident88.6Confident4 Ų458.1 Ų58.13%0.03331%0.307CS..Hα-helixtrans-59.2-47.2175.500000110.9A64 K65 K66 K71 C72 L73 L75 L91A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.18Å; K65-A68 WeakPolarHBondContact O-CB 3.5Å; K65-A68 PolarHBondContact O-N 3.08Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 3.4Å; A68-K71 CarbonylContact O-C 3.5Å; A68-K71 PolarHBondContact O-N 3.45Å; A68-C72 PolarHBondContact O-N 3.15Å; A68-L73 CarbonylContact C-O 3.58Å; A68-L73 WeakPolarHBondContact CB-O 3.27Å; A68-L73 PolarHBondContact O-N 2.96Å; A68-L75 HydrophobicContact CB-CB 4.16Å; A68-L91 HydrophobicContact CB-CD2 3.5Å; A68-L91 VanDerWaalsContact CB-CD2 3.5Å
69L84.5Confident88.4Confident93 Ų9355 Ų5549%0.48729%0.287SS..Hα-helixtrans-66.6-42.9179.8-69.7166.7000112.6L33 K65 K66 M67 K71 C72L33-L69 HydrophobicContact CD1-CB 4.19Å; L33-L69 HydrophobicContact CD1-CD1 3.47Å; L33-L69 VanDerWaalsContact CD1-CD1 3.47Å; L33-L69 HydrophobicContact CD1-CG 4.46Å; L33-L69 HydrophobicContact CD2-CD1 3.15Å; L33-L69 HydrophobicContact CG-CD1 3.8Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 3.14Å; K66-L69 PolarHBondContact O-N 2.91Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L69 PolarHBondContact O-N 3.18Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 3.5Å; L69-C72 PolarHBondContact O-N 2.94Å
70A85.8Confident87.6Confident86 Ų8657 Ų5771%0.71131%0.308SS*.Hα-helixtrans-59.5-37.4175.400000112.2K66 M67 C72K66-A70 WeakPolarHBondContact O-CB 3.39Å; K66-A70 PolarHBondContact O-N 3.08Å; M67-A70 PolarHBondContact O-N 2.71Å; A70-C72 VanDerWaalsContact C-N 3.32Å
71K85.7Confident86.8Confident85 Ų8563 Ų6337%0.3734%0.335SS..THydrogen-bonded Turntrans-85.70.6176.1-65.9-179.1175.8-177.60113.7D50 M67 A68 L69 L73 L91D50-K71 IonicContact OD2-NZ 2.84Å; M67-K71 HydrophobicContact CG-CD 4.18Å; M67-K71 WeakPolarHBondContact O-CB 3.37Å; M67-K71 WeakPolarHBondContact O-CG 3.49Å; M67-K71 PolarHBondContact O-N 2.84Å; A68-K71 CarbonylContact O-C 3.5Å; A68-K71 PolarHBondContact O-N 3.45Å; L69-K71 VanDerWaalsContact C-N 3.27Å; L69-K71 PolarHBondContact O-N 3.5Å; K71-L73 HydrophobicContact CB-CB 4.4Å; K71-L73 HydrophobicContact CB-CD1 3.85Å; K71-L73 HydrophobicContact CB-CG 3.79Å; K71-L73 HydrophobicContact CD-CD1 4.13Å; K71-L73 WeakPolarHBondContact O-CG 3.25Å; K71-L73 PolarHBondContact O-N 2.81Å; K71-L91 HydrophobicContact CD-CD1 4.12Å
72C84Confident86.1Confident103 Ų10366 Ų6670%0.69637%0.369SS*.THydrogen-bonded Turntrans53.131.1-170.4-57.50000113.8A68 L69 A70A68-C72 PolarHBondContact O-N 3.15Å; L69-C72 PolarHBondContact O-N 2.94Å; A70-C72 VanDerWaalsContact C-N 3.32Å
73L88.2Confident85.5Confident38 Ų3869.8 Ų69.820%0.19940%0.395CS..EExtended strand (participates in β ladder)trans-103.7167.1175.8-56.8178.5000110A68 K71 L91 A93A68-L73 CarbonylContact C-O 3.58Å; A68-L73 WeakPolarHBondContact CB-O 3.27Å; A68-L73 PolarHBondContact O-N 2.96Å; K71-L73 HydrophobicContact CB-CB 4.4Å; K71-L73 HydrophobicContact CB-CD1 3.85Å; K71-L73 HydrophobicContact CB-CG 3.79Å; K71-L73 HydrophobicContact CD-CD1 4.13Å; K71-L73 WeakPolarHBondContact O-CG 3.25Å; K71-L73 PolarHBondContact O-N 2.81Å; L73-L91 HydrophobicContact CB-CB 4.23Å; L73-L91 HydrophobicContact CD1-CB 3.8Å; L73-L91 HydrophobicContact CD1-CD1 4.33Å; L73-A93 HydrophobicContact CD2-CB 4.01Å
74R87.7Confident84.9Confident176 Ų17670.9 Ų70.966%0.66440%0.398SS*.EExtended strand (participates in β ladder)trans-109.1132.9173.7-177.4176.7178.4160.11.4109.7V76 L91 Q92R74-V76 HydrophobicContact CG-CG2 4.07Å; R74-L91 WeakPolarHBondContact O-CA 3.5Å; R74-Q92 PolarHBondContact N-O 3.18Å; R74-Q92 PolarHBondContact O-N 3.33Å
75L90.1Very high84.5Confident29 Ų2977.5 Ų77.515%0.15244%0.44CS..EExtended strand (participates in β ladder)trans-77.7123.9170-166.569.7000109.6I46 V48 L61 A64 K65 A68 Y89 L91I46-L75 HydrophobicContact CD1-CD2 3.87Å; V48-L75 HydrophobicContact CG1-CD1 4.11Å; L61-L75 HydrophobicContact CD1-CD2 3.76Å; A64-L75 HydrophobicContact CB-CD1 4.16Å; A64-L75 HydrophobicContact CB-CD2 3.77Å; K65-L75 HydrophobicContact CG-CD2 4.18Å; A68-L75 HydrophobicContact CB-CB 4.16Å; L75-Y89 HydrophobicContact CD1-CD1 4.39Å; L75-Y89 HydrophobicContact CD1-CG 4.35Å; L75-Y89 HydrophobicContact CD2-CD1 4.09Å; L75-Y89 HydrophobicContact CD2-CG 4.47Å; L75-Y89 HydrophobicContact CG-CD1 3.78Å; L75-Y89 HydrophobicContact CG-CG 4.2Å; L75-L91 HydrophobicContact CB-CD2 4.37Å; L75-L91 HydrophobicContact CD1-CD2 3.67Å; L75-L91 HydrophobicContact CD1-CG 4.46Å
76V90.9Very high84.4Confident42 Ų4276.3 Ų76.326%0.25544%0.439SS..EExtended strand (participates in β ladder)trans-129127.1-177.6-179.40000109.4R74 Y89 R90 Q92R74-V76 HydrophobicContact CG-CG2 4.07Å; V76-Y89 CarbonylContact O-C 3.33Å; V76-Y89 VanDerWaalsContact O-CA 3.27Å; V76-Y89 WeakPolarHBondContact O-CA 3.24Å; V76-R90 PolarHBondContact N-O 2.93Å; V76-R90 PolarHBondContact O-N 3.32Å; V76-Q92 HydrophobicContact CB-CG 4.27Å; V76-Q92 HydrophobicContact CG2-CB 4.16Å; V76-Q92 HydrophobicContact CG2-CG 4.06Å
77Q90.2Very high84.4Confident77 Ų7774.9 Ų74.936%0.3644%0.435SS..EExtended strand (participates in β ladder)trans-70.2132.9175.2-165.8170.4-3.900110.4N79 E81 Y89Q77-N79 WeakPolarHBondContact CG-O 3.48Å; Q77-N79 PolarHBondContact NE2-O 2.94Å; Q77-N79 VanDerWaalsContact NE2-O 3.17Å; Q77-E81 PolarHBondContact NE2-OE1 3.28Å; Q77-Y89 VanDerWaalsContact CA-CD1 3.44Å; Q77-Y89 HydrophobicContact CB-CD1 3.78Å; Q77-Y89 HydrophobicContact CB-CE1 3.42Å; Q77-Y89 VanDerWaalsContact CB-CE1 3.42Å; Q77-Y89 HydrophobicContact CB-CE2 4.49Å; Q77-Y89 HydrophobicContact CB-CG 4.46Å; Q77-Y89 HydrophobicContact CG-CD1 4.33Å; Q77-Y89 HydrophobicContact CG-CE1 3.87Å; Q77-Y89 HydrophobicContact CG-CE2 4.06Å; Q77-Y89 PolarHBondContact OE1-OH 2.82Å
78I88.1Confident84.5Confident80 Ų8074.1 Ų74.141%0.4143%0.432SS..  trans-101.3-46.5-179.4-48.3174.8000111.1I49 L88 R90I49-I78 HydrophobicContact CD1-CD1 3.38Å; I49-I78 HydrophobicContact CG1-CD1 3.85Å; I78-L88 HydrophobicContact CD1-CD2 4.02Å; I78-L88 HydrophobicContact CD1-CG 3.94Å; I78-L88 PolarHBondContact N-O 3.23Å; I78-R90 HydrophobicContact CD1-CB 3.52Å; I78-R90 HydrophobicContact CG1-CB 3.77Å
79N85.2Confident84.7Confident19 Ų1975.4 Ų75.410%0.10244%0.436CS..SBendtrans-95.9153.9-176.167.9-3000111.4Q77 H84 P87 L88Q77-N79 WeakPolarHBondContact CG-O 3.48Å; Q77-N79 PolarHBondContact NE2-O 2.94Å; Q77-N79 VanDerWaalsContact NE2-O 3.17Å; N79-H84 PolarHBondContact ND2-CD2 3.38Å; N79-P87 WeakPolarHBondContact OD1-CA 3.24Å; N79-L88 HydrophobicContact CB-CB 4.29Å; N79-L88 VanDerWaalsContact CG-N 3.25Å; N79-L88 VanDerWaalsContact ND2-CB 3.33Å; N79-L88 WeakPolarHBondContact ND2-CB 3.5Å; N79-L88 PolarHBondContact ND2-N 3.25Å; N79-L88 VanDerWaalsContact ND2-N 3.12Å; N79-L88 PolarHBondContact OD1-N 2.86Å; N79-L88 PolarHBondContact OD1-O 3.21Å
80A76.1Confident85.1Confident71 Ų7175 Ų7559%0.58743%0.428SS*.PPolyproline II helixtrans-77.4154169.600000110.8G82 S83A80-G82 PolarHBondContact O-N 2.95Å; A80-S83 PolarHBondContact O-N 3.2Å
81E74.5Confident85.3Confident139 Ų13970.9 Ų70.965%0.6539%0.394SS*.THydrogen-bonded Turntrans-51.2127.7172-59.8-56.1138.400110.8Q77Q77-E81 PolarHBondContact NE2-OE1 3.28Å
82G74.7Confident85.4Confident76 Ų7670.1 Ų70.178%0.78439%0.392SS*.THydrogen-bonded Turntrans91-10.1176.600000116.7A80 H84A80-G82 PolarHBondContact O-N 2.95Å; G82-H84 VanDerWaalsContact C-N 3.31Å; G82-H84 PolarHBondContact O-N 3.44Å
83S77.2Confident85.3Confident81 Ų8167.9 Ų67.957%0.56638%0.381SS*.SBendtrans-72-25.9177.7-174.20000113.4A80A80-S83 PolarHBondContact O-N 3.2Å
84H75.7Confident84.4Confident107 Ų10769.7 Ų69.750%0.49540%0.397SS..SBendtrans-139.2156.5179-66.7-87.5000109.2N79 G82 V86N79-H84 PolarHBondContact ND2-CD2 3.38Å; G82-H84 VanDerWaalsContact C-N 3.31Å; G82-H84 PolarHBondContact O-N 3.44Å; H84-V86 PolarHBondContact O-N 3.18Å; H84-V86 VanDerWaalsContact O-N 3.14Å
85P83.3Confident83.2Confident139 Ų13965.7 Ų65.790%0.90339%0.391SS*.SBendtrans-57.3-30178.9-24.433.4000113.4
86V86.8Confident81.5Confident47 Ų4767.7 Ų67.729%0.28541%0.408SS..SBendtrans-128.4132.8179.5-156.50000108.1L45 T58 H84L45-V86 WeakPolarHBondContact O-CG1 3.48Å; T58-V86 HydrophobicContact CG2-CG1 4.28Å; H84-V86 PolarHBondContact O-N 3.18Å; H84-V86 VanDerWaalsContact O-N 3.14Å
87P88.6Confident79.7Confident23 Ų2372.9 Ų72.915%0.14943%0.427CS..  trans-64.7142.6178.429-37.4000110.8I46 N47 N79 Y89I46-P87 HydrophobicContact CB-CG 4.37Å; I46-P87 HydrophobicContact CG2-CG 3.85Å; N47-P87 PolarHBondContact N-O 3.38Å; N79-P87 WeakPolarHBondContact OD1-CA 3.24Å; P87-Y89 HydrophobicContact CB-CE2 3.91Å; P87-Y89 HydrophobicContact CG-CE2 4.19Å
88L89.8Confident78.1Confident41 Ų4179.6 Ų79.622%0.21545%0.449CS..EExtended strand (participates in β ladder)trans-107.7121.8-172.4-178.167.3000109.5N47 I49 I78 N79N47-L88 HydrophobicContact CB-CD1 4.04Å; N47-L88 WeakPolarHBondContact O-CA 3.27Å; I49-L88 HydrophobicContact CG2-CD1 3.86Å; I78-L88 HydrophobicContact CD1-CD2 4.02Å; I78-L88 HydrophobicContact CD1-CG 3.94Å; I78-L88 PolarHBondContact N-O 3.23Å; N79-L88 HydrophobicContact CB-CB 4.29Å; N79-L88 VanDerWaalsContact CG-N 3.25Å; N79-L88 VanDerWaalsContact ND2-CB 3.33Å; N79-L88 WeakPolarHBondContact ND2-CB 3.5Å; N79-L88 PolarHBondContact ND2-N 3.25Å; N79-L88 VanDerWaalsContact ND2-N 3.12Å; N79-L88 PolarHBondContact OD1-N 2.86Å; N79-L88 PolarHBondContact OD1-O 3.21Å
89Y91.9Very high76.4Confident32 Ų3281.3 Ų81.313%0.12546%0.459CS..EExtended strand (participates in β ladder)trans-118.7145178.4-72.1-104.6000110.9I46 N47 V48 I49 L61 L75 V76 Q77 P87I46-Y89 HydrophobicContact CB-CD2 3.78Å; I46-Y89 HydrophobicContact CB-CE2 4.01Å; I46-Y89 HydrophobicContact CD1-CD1 4.46Å; I46-Y89 HydrophobicContact CD1-CD2 3.55Å; I46-Y89 HydrophobicContact CD1-CE2 4.07Å; I46-Y89 HydrophobicContact CD1-CG 3.77Å; I46-Y89 HydrophobicContact CG1-CD2 4.28Å; I46-Y89 HydrophobicContact CG2-CD2 4.03Å; I46-Y89 HydrophobicContact CG2-CE2 3.71Å; N47-Y89 PolarHBondContact O-N 3.04Å; V48-Y89 CarbonylContact C-O 3.54Å; V48-Y89 WeakPolarHBondContact CA-O 3.26Å; I49-Y89 WeakPolarHBondContact CG1-O 3.48Å; I49-Y89 PolarHBondContact N-O 2.87Å; L61-Y89 HydrophobicContact CD1-CE1 4.5Å; L75-Y89 HydrophobicContact CD1-CD1 4.39Å; L75-Y89 HydrophobicContact CD1-CG 4.35Å; L75-Y89 HydrophobicContact CD2-CD1 4.09Å; L75-Y89 HydrophobicContact CD2-CG 4.47Å; L75-Y89 HydrophobicContact CG-CD1 3.78Å; L75-Y89 HydrophobicContact CG-CG 4.2Å; V76-Y89 CarbonylContact O-C 3.33Å; V76-Y89 VanDerWaalsContact O-CA 3.27Å; V76-Y89 WeakPolarHBondContact O-CA 3.24Å; Q77-Y89 VanDerWaalsContact CA-CD1 3.44Å; Q77-Y89 HydrophobicContact CB-CD1 3.78Å; Q77-Y89 HydrophobicContact CB-CE1 3.42Å; Q77-Y89 VanDerWaalsContact CB-CE1 3.42Å; Q77-Y89 HydrophobicContact CB-CE2 4.49Å; Q77-Y89 HydrophobicContact CB-CG 4.46Å; Q77-Y89 HydrophobicContact CG-CD1 4.33Å; Q77-Y89 HydrophobicContact CG-CE1 3.87Å; Q77-Y89 HydrophobicContact CG-CE2 4.06Å; Q77-Y89 PolarHBondContact OE1-OH 2.82Å; P87-Y89 HydrophobicContact CB-CE2 3.91Å; P87-Y89 HydrophobicContact CG-CE2 4.19Å
90R91.8Very high74.9Confident83 Ų8386.7 Ų86.731%0.31348%0.484SS..EExtended strand (participates in β ladder)trans-111135.7172.4-179.2176.8-74.9178.7-5.2110.4I49 D53 V76 I78 Q92I49-R90 HydrophobicContact CD1-CB 4.13Å; I49-R90 HydrophobicContact CD1-CG 4.29Å; I49-R90 HydrophobicContact CG1-CB 3.71Å; I49-R90 HydrophobicContact CG1-CG 3.99Å; I49-R90 CarbonylContact O-C 3.56Å; I49-R90 VanDerWaalsContact O-CA 3.31Å; I49-R90 WeakPolarHBondContact O-CA 3.21Å; D53-R90 IonicContact OD1-CZ 2.71Å; D53-R90 IonicContact OD1-NE 3.17Å; D53-R90 IonicContact OD1-NH2 2.84Å; D53-R90 PolarHBondContact OD1-NH2 2.96Å; V76-R90 PolarHBondContact N-O 2.93Å; V76-R90 PolarHBondContact O-N 3.32Å; I78-R90 HydrophobicContact CD1-CB 3.52Å; I78-R90 HydrophobicContact CG1-CB 3.77Å; R90-Q92 HydrophobicContact CB-CG 4.34Å; R90-Q92 HydrophobicContact CG-CG 3.86Å; R90-Q92 PolarHBondContact O-N 3.42Å
91L90.1Very high73.8Confident0 Ų091.5 Ų91.50%049%0.491CS..EExtended strand (participates in β ladder)trans-76.2112.9162.2-63.4178.4000108.6V48 I49 S51 L56 M67 A68 K71 L73 R74 L75V48-L91 HydrophobicContact CG1-CD1 4.32Å; V48-L91 HydrophobicContact CG1-CD2 4.46Å; V48-L91 HydrophobicContact CG1-CG 3.95Å; I49-L91 PolarHBondContact O-N 3.02Å; S51-L91 PolarHBondContact N-O 3.36Å; S51-L91 PolarHBondContact OG-O 3Å; L56-L91 HydrophobicContact CD1-CD1 3.69Å; M67-L91 HydrophobicContact CG-CD1 4.44Å; M67-L91 HydrophobicContact SD-CD1 4.32Å; A68-L91 HydrophobicContact CB-CD2 3.5Å; A68-L91 VanDerWaalsContact CB-CD2 3.5Å; K71-L91 HydrophobicContact CD-CD1 4.12Å; L73-L91 HydrophobicContact CB-CB 4.23Å; L73-L91 HydrophobicContact CD1-CB 3.8Å; L73-L91 HydrophobicContact CD1-CD1 4.33Å; R74-L91 WeakPolarHBondContact O-CA 3.5Å; L75-L91 HydrophobicContact CB-CD2 4.37Å; L75-L91 HydrophobicContact CD1-CD2 3.67Å; L75-L91 HydrophobicContact CD1-CG 4.46Å
92Q87.4Confident73Confident70 Ų7089.2 Ų89.233%0.32749%0.491SS..EExtended strand (participates in β ladder)trans-109.6136.5176.7-63.9-173.81900109.4R74 V76 R90 S94R74-Q92 PolarHBondContact N-O 3.18Å; R74-Q92 PolarHBondContact O-N 3.33Å; V76-Q92 HydrophobicContact CB-CG 4.27Å; V76-Q92 HydrophobicContact CG2-CB 4.16Å; V76-Q92 HydrophobicContact CG2-CG 4.06Å; R90-Q92 HydrophobicContact CB-CG 4.34Å; R90-Q92 HydrophobicContact CG-CG 3.86Å; R90-Q92 PolarHBondContact O-N 3.42Å; Q92-S94 PolarHBondContact O-N 2.94Å
93A82.5Confident72.2Confident55 Ų5593.2 Ų93.246%0.45549%0.489SS..EExtended strand (participates in β ladder)trans-54.5134.1166.400000108.9L73 V95L73-A93 HydrophobicContact CD2-CB 4.01Å; A93-V95 VanDerWaalsContact C-N 3.28Å; A93-V95 PolarHBondContact O-N 3.4Å
94S69.6Low71.2Confident77 Ų7796.3 Ų96.354%0.53849%0.492SS..  trans-59.4103167.854.60000105.8Q92 S96Q92-S94 PolarHBondContact O-N 2.94Å; S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 3.15Å
95V62.7Low70.6Confident91 Ų91102.8 Ų102.855%0.55251%0.512SS*.  trans-57.2101.2-170.6-172.10000106.1A93 K97 E100A93-V95 VanDerWaalsContact C-N 3.28Å; A93-V95 PolarHBondContact O-N 3.4Å; V95-K97 PolarHBondContact O-N 3.48Å; V95-E100 WeakPolarHBondContact CG1-OE2 3.21Å
96S54.4Low69.9Low71 Ų71101.6 Ų101.650%0.49750%0.495SS..  trans-6987172.5-75.50000103.5S94 R98 N99S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 3.15Å; S96-R98 PolarHBondContact O-N 3.43Å; S96-N99 PolarHBondContact O-N 2.9Å
97K53.2Low69.2Low152 Ų152103.7 Ų103.766%0.66151%0.507SS*.Hα-helixtrans-50.2-3.4169.1-68-179.7177.7176.40112.5V95 K101V95-K97 PolarHBondContact O-N 3.48Å; K97-K101 WeakPolarHBondContact O-CD 3.43Å; K97-K101 VanDerWaalsContact O-CG 3.27Å; K97-K101 WeakPolarHBondContact O-CG 3.22Å
98R56.3Low69Low218 Ų218108.7 Ų108.782%0.82353%0.527SS*.Hα-helixtrans-67.5-34.2168.7-64.9-175.2-178.7174.32.4113S96S96-R98 PolarHBondContact O-N 3.43Å
99N53Low69Low115 Ų115114 Ų11462%0.61555%0.55SS*.Hα-helixtrans-89.2-32.6-173-71-4.5000114.3S96 S102S96-N99 PolarHBondContact O-N 2.9Å; N99-S102 PolarHBondContact O-OG 3.46Å
100E52.5Low69.1Low132 Ų132116.1 Ų116.162%0.61756%0.56SS**Hα-helixtrans-79.1-31.9179-69.6172.792.100112.3V95 S102 Q103 K104V95-E100 WeakPolarHBondContact CG1-OE2 3.21Å; E100-S102 PolarHBondContact O-N 3.16Å; E100-Q103 PolarHBondContact O-N 3.22Å; E100-Q103 VanDerWaalsContact O-N 3.16Å; E100-K104 PolarHBondContact O-N 3.49Å
101K54.7Low69.2Low173 Ų173116 Ų11675%0.75257%0.569SS**Hα-helixtrans-63.3-22.3173.9-73.5-175.7-177.5-173.70113K97K97-K101 WeakPolarHBondContact O-CD 3.43Å; K97-K101 VanDerWaalsContact O-CG 3.27Å; K97-K101 WeakPolarHBondContact O-CG 3.22Å
102S56.3Low69.5Low91 Ų91116.6 Ų116.664%0.63657%0.572SS**Hα-helixtrans-82.4-23.8177.258.90000112.9N99 E100N99-S102 PolarHBondContact O-OG 3.46Å; E100-S102 PolarHBondContact O-N 3.16Å
103Q57.6Low69.8Low159 Ų159122.2 Ų122.274%0.74359%0.59SS**Hα-helixtrans-97.4-24.5-175.4-67.5-165.118.600115.2E100 R105E100-Q103 PolarHBondContact O-N 3.22Å; E100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 PolarHBondContact O-N 2.97Å
104K57.9Low70.3Confident146 Ų146120 Ų12064%0.63557%0.57SS**  trans-65.6100.1172.1-163.4-179.9172.7-155.20107.5E100 E106E100-K104 PolarHBondContact O-N 3.49Å; K104-E106 HydrophobicContact CB-CG 4.22Å; K104-E106 HydrophobicContact CD-CG 3.75Å; K104-E106 WeakPolarHBondContact CD-OE1 3.46Å; K104-E106 WeakPolarHBondContact CE-OE1 3.38Å; K104-E106 HydrophobicContact CG-CG 3.69Å; K104-E106 IonicContact NZ-OE1 3.06Å; K104-E106 PolarHBondContact NZ-OE1 3.38Å; K104-E106 PolarHBondContact O-N 3.28Å
105R61.4Low71.4Confident243 Ų243120.5 Ų120.592%0.91756%0.564SS**  trans-6864.5172.9-63.4179.9-176.4175.91.2108.3Q103 V107Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 PolarHBondContact O-N 2.97Å; R105-V107 PolarHBondContact O-N 3.43Å; R105-V107 VanDerWaalsContact O-N 3.14Å
106E69.4Low72.5Confident114 Ų114116.6 Ų116.653%0.53354%0.541SS..  trans-62.3119171.8-62.8-173.4142.100106.4K104 K108K104-E106 HydrophobicContact CB-CG 4.22Å; K104-E106 HydrophobicContact CD-CG 3.75Å; K104-E106 WeakPolarHBondContact CD-OE1 3.46Å; K104-E106 WeakPolarHBondContact CE-OE1 3.38Å; K104-E106 HydrophobicContact CG-CG 3.69Å; K104-E106 IonicContact NZ-OE1 3.06Å; K104-E106 PolarHBondContact NZ-OE1 3.38Å; K104-E106 PolarHBondContact O-N 3.28Å; E106-K108 WeakPolarHBondContact O-CG 3.33Å; E106-K108 PolarHBondContact O-N 2.67Å
107V72.7Confident74Confident91 Ų91116.6 Ų116.655%0.55254%0.541SS*.  trans-60.7106.9174.4178.30000106.7R105 H109 V139R105-V107 PolarHBondContact O-N 3.43Å; R105-V107 VanDerWaalsContact O-N 3.14Å; V107-H109 PolarHBondContact O-CD2 3.07Å; V107-H109 PolarHBondContact O-N 3.33Å; V107-V139 HydrophobicContact CG1-CG2 3.87Å
108K83.9Confident75.8Confident129 Ų129111.4 Ų111.456%0.56152%0.52SS*.  trans-84119.6-178.9-67179-173.7175.70108.5E106 C138 V139E106-K108 WeakPolarHBondContact O-CG 3.33Å; E106-K108 PolarHBondContact O-N 2.67Å; K108-C138 VanDerWaalsContact O-CA 3.26Å; K108-C138 WeakPolarHBondContact O-CA 3.45Å; K108-C138 VanDerWaalsContact O-CB 3.24Å; K108-C138 WeakPolarHBondContact O-CB 3.43Å; K108-V139 PolarHBondContact O-N 3.26Å; K108-V139 VanDerWaalsContact O-N 3.15Å
109H89.7Confident77.5Confident151 Ų151103.5 Ų103.570%0.69950%0.499SS*.EExtended strand (participates in β ladder)trans-83.1126.9169.1-65.7-118000107.9V107 V139V107-H109 PolarHBondContact O-CD2 3.07Å; V107-H109 PolarHBondContact O-N 3.33Å; H109-V139 WeakPolarHBondContact CA-O 3.35Å
110K94Very high79.3Confident77 Ų77105.1 Ų105.134%0.33550%0.502SS..EExtended strand (participates in β ladder)trans-129.9148.5178.3-65.9-168.4176.9-174.90110.8M133 V139 V140 R141K110-M133 HydrophobicContact CB-CE 3.14Å; K110-M133 HydrophobicContact CD-CE 3.38Å; K110-M133 HydrophobicContact CD-CG 4.29Å; K110-M133 HydrophobicContact CG-CE 3.89Å; K110-V139 PolarHBondContact N-O 3.2Å; K110-V140 CarbonylContact O-C 3.55Å; K110-V140 WeakPolarHBondContact O-CA 3.33Å; K110-R141 PolarHBondContact O-N 3.22Å
111V94.8Very high81.3Confident82 Ų82105.6 Ų105.650%0.49750%0.504SS..EExtended strand (participates in β ladder)trans-112.4129.1178.8-174.40000109R113 R141 E143V111-R113 HydrophobicContact CG1-CG 4.26Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 VanDerWaalsContact CA-O 3.27Å; V111-R141 WeakPolarHBondContact CA-O 3.27Å; V111-R141 HydrophobicContact CG2-CB 4.42Å; V111-E143 HydrophobicContact CG1-CG 3.93Å
112L95.1Very high83.1Confident12 Ų12101.2 Ų101.26%0.06349%0.489CS..EExtended strand (participates in β ladder)trans-112.7112172.8-175.765.6000109.4L114 K126 L130 V140 R141 V142 E143L112-L114 HydrophobicContact CG-CD2 4.42Å; L112-K126 HydrophobicContact CD1-CD 3.97Å; L112-K126 HydrophobicContact CD2-CB 4.37Å; L112-L130 HydrophobicContact CD2-CB 4.49Å; L112-L130 HydrophobicContact CD2-CD1 3.72Å; L112-L130 HydrophobicContact CD2-CG 3.61Å; L112-V140 HydrophobicContact CB-CG1 4.15Å; L112-R141 PolarHBondContact N-O 2.96Å; L112-V142 HydrophobicContact CB-CG2 4.32Å; L112-V142 CarbonylContact O-C 3.52Å; L112-V142 VanDerWaalsContact O-CA 3.32Å; L112-V142 WeakPolarHBondContact O-CA 3.47Å; L112-E143 PolarHBondContact O-N 3.18Å
113R94.6Very high84.8Confident187 Ų18797.8 Ų97.871%0.70646%0.464SS*.EExtended strand (participates in β ladder)trans-91.4132.9177.8-64.9180174.7167.91.1110.9V111 E143V111-R113 HydrophobicContact CG1-CG 4.26Å; R113-E143 CarbonylContact C-O 3.59Å; R113-E143 WeakPolarHBondContact CA-O 3.36Å; R113-E143 HydrophobicContact CG-CB 4.43Å; R113-E143 IonicContact NE-OE2 2.78Å; R113-E143 PolarHBondContact NE-OE2 2.97Å
114L93Very high86.6Confident9 Ų994.6 Ų94.65%0.04746%0.455CS..EExtended strand (participates in β ladder)trans-128.8147.2178.7-60.9177.2000109.1L112 I118 K126 V142 E143 V144 S145 L157 I161L112-L114 HydrophobicContact CG-CD2 4.42Å; L114-I118 HydrophobicContact CD2-CD1 3.97Å; L114-K126 HydrophobicContact CD2-CB 3.75Å; L114-K126 HydrophobicContact CD2-CD 3.67Å; L114-K126 HydrophobicContact CD2-CG 3.48Å; L114-K126 VanDerWaalsContact CD2-CG 3.48Å; L114-V142 HydrophobicContact CD1-CG1 3.63Å; L114-V142 HydrophobicContact CG-CG1 4.26Å; L114-E143 PolarHBondContact N-O 3.39Å; L114-V144 HydrophobicContact CB-CG2 4.31Å; L114-V144 HydrophobicContact CD1-CG2 4.5Å; L114-V144 CarbonylContact O-C 3.48Å; L114-V144 WeakPolarHBondContact O-CA 3.41Å; L114-S145 PolarHBondContact O-N 3.02Å; L114-L157 HydrophobicContact CD1-CD2 4.09Å; L114-I161 HydrophobicContact CD1-CD1 3.53Å
115H91.8Very high88.4Confident88 Ų8891.6 Ų91.641%0.40745%0.449SS..EExtended strand (participates in β ladder)trans-101.6146.8173.5-166.5-101000110.1S117 I118 S145H115-S117 PolarHBondContact ND1-N 2.73Å; H115-S117 PolarHBondContact O-N 2.79Å; H115-I118 WeakPolarHBondContact O-CB 3.47Å; H115-I118 WeakPolarHBondContact O-CG2 3.31Å; H115-I118 PolarHBondContact O-N 2.79Å; H115-S145 CarbonylContact C-O 3.57Å; H115-S145 WeakPolarHBondContact CA-O 3.48Å; H115-S145 PolarHBondContact CD2-O 3.49Å
116A86.5Confident90Very high8 Ų883.7 Ų83.77%0.06642%0.421CS..THydrogen-bonded Turntrans-62.3-29.1-179.200000113.2I118 S145 G146 F152A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 3.14Å; A116-S145 PolarHBondContact N-O 3.22Å; A116-G146 VanDerWaalsContact CB-CA 3.48Å; A116-F152 HydrophobicContact CB-CB 4.02Å
117S85.9Confident91.1Very high72 Ų7279.4 Ų79.450%0.50340%0.402SS..THydrogen-bonded Turntrans-90.121.1178.2-168.90000114H115H115-S117 PolarHBondContact ND1-N 2.73Å; H115-S117 PolarHBondContact O-N 2.79Å
118I91.2Very high92.2Very high42 Ų4282.8 Ų82.822%0.21541%0.409CS..  trans-64.7145.2178.3-167.8170.2000111.5L114 H115 A116 D122 L123 K126 L157L114-I118 HydrophobicContact CD2-CD1 3.97Å; H115-I118 WeakPolarHBondContact O-CB 3.47Å; H115-I118 WeakPolarHBondContact O-CG2 3.31Å; H115-I118 PolarHBondContact O-N 2.79Å; A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 3.14Å; I118-D122 HydrophobicContact CD1-CB 3.83Å; I118-D122 HydrophobicContact CG1-CB 3.54Å; I118-L123 HydrophobicContact CG2-CB 4.46Å; I118-K126 HydrophobicContact CD1-CG 4.04Å; I118-L157 HydrophobicContact CG2-CD1 3.59Å
119S91.8Very high92.7Very high53 Ų5380.9 Ų80.937%0.37140%0.402SS..  trans-72.6159173.986.60000111.9H121 D122 L123S119-H121 VanDerWaalsContact C-N 3.31Å; S119-H121 PolarHBondContact O-N 3.28Å; S119-D122 WeakPolarHBondContact CB-OD2 3.44Å; S119-D122 PolarHBondContact O-N 3.16Å; S119-D122 WeakPolarHBondContact OG-CB 3.46Å; S119-D122 PolarHBondContact OG-N 3.21Å; S119-D122 VanDerWaalsContact OG-N 3.08Å; S119-D122 PolarHBondContact OG-OD2 2.78Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 2.73Å
120E90.5Very high92.9Very high149 Ų14973.7 Ų73.770%0.69637%0.368SS*.Hα-helixtrans-64.3-36.6177-60.9-173.1160.100112.4L123 T124E120-L123 PolarHBondContact O-N 2.71Å; E120-T124 PolarHBondContact O-N 2.86Å; E120-T124 VanDerWaalsContact O-N 3.08Å; E120-T124 PolarHBondContact O-OG1 3.09Å
121H94.4Very high92.8Very high141 Ų14172.6 Ų72.665%0.65337%0.366SS*.Hα-helixtrans-63.9-49176.2-179.171.5000111.1S119 L123 T124 V125S119-H121 VanDerWaalsContact C-N 3.31Å; S119-H121 PolarHBondContact O-N 3.28Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 2.78Å; H121-T124 WeakPolarHBondContact O-CB 3.36Å; H121-T124 PolarHBondContact O-N 3.41Å; H121-V125 PolarHBondContact O-N 3.23Å
122D93.2Very high92.7Very high82 Ų8272.1 Ų72.144%0.43936%0.361SS..Hα-helixtrans-63.2-39.5178-72.3-69.8000111.7I118 S119 T124 V125 K126I118-D122 HydrophobicContact CD1-CB 3.83Å; I118-D122 HydrophobicContact CG1-CB 3.54Å; S119-D122 WeakPolarHBondContact CB-OD2 3.44Å; S119-D122 PolarHBondContact O-N 3.16Å; S119-D122 WeakPolarHBondContact OG-CB 3.46Å; S119-D122 PolarHBondContact OG-N 3.21Å; S119-D122 VanDerWaalsContact OG-N 3.08Å; S119-D122 PolarHBondContact OG-OD2 2.78Å; D122-T124 VanDerWaalsContact C-N 3.28Å; D122-T124 PolarHBondContact O-N 2.92Å; D122-V125 PolarHBondContact O-N 2.71Å; D122-K126 VanDerWaalsContact O-CG 3.24Å; D122-K126 WeakPolarHBondContact O-CG 3.27Å; D122-K126 PolarHBondContact O-N 2.81Å
123L92.4Very high92.5Very high19 Ų1971.8 Ų71.810%0.09936%0.359CS..Hα-helixtrans-57.4-43.4175.218061.8000111.1I118 S119 E120 H121 V125 K126 I127 L157 I161I118-L123 HydrophobicContact CG2-CB 4.46Å; S119-L123 WeakPolarHBondContact O-CB 3.48Å; S119-L123 PolarHBondContact O-N 2.73Å; E120-L123 PolarHBondContact O-N 2.71Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 2.78Å; L123-V125 PolarHBondContact O-N 2.66Å; L123-K126 WeakPolarHBondContact O-CB 3.48Å; L123-K126 PolarHBondContact O-N 3.05Å; L123-I127 HydrophobicContact CD1-CD1 4.23Å; L123-I127 HydrophobicContact CD1-CG1 4.41Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.33Å; L123-I127 PolarHBondContact O-N 2.85Å; L123-L157 HydrophobicContact CD1-CD2 4.37Å; L123-I161 HydrophobicContact CD1-CD1 4.44Å; L123-I161 HydrophobicContact CD1-CG1 4.14Å
124T93.7Very high92.3Very high92 Ų9263.2 Ų63.256%0.56433%0.327SS*.Hα-helixtrans-61.3-43.4177.3-53.90000111.8E120 H121 D122 K126 I127 K128E120-T124 PolarHBondContact O-N 2.86Å; E120-T124 VanDerWaalsContact O-N 3.08Å; E120-T124 PolarHBondContact O-OG1 3.09Å; H121-T124 WeakPolarHBondContact O-CB 3.36Å; H121-T124 PolarHBondContact O-N 3.41Å; D122-T124 VanDerWaalsContact C-N 3.28Å; D122-T124 PolarHBondContact O-N 2.92Å; T124-K126 VanDerWaalsContact C-N 3.32Å; T124-K126 PolarHBondContact O-N 2.68Å; T124-I127 PolarHBondContact O-N 2.81Å; T124-K128 PolarHBondContact O-N 3.3Å
125V95.7Very high92.1Very high82 Ų8267.4 Ų67.450%0.49736%0.357SS..Hα-helixtrans-62.1-41175.5177.40000111H121 D122 L123 K128 H129H121-V125 PolarHBondContact O-N 3.23Å; D122-V125 PolarHBondContact O-N 2.71Å; L123-V125 PolarHBondContact O-N 2.66Å; V125-K128 PolarHBondContact O-N 2.77Å; V125-H129 PolarHBondContact O-N 3.28Å
126K94.8Very high92Very high78 Ų7869.2 Ų69.234%0.33936%0.364SS..Hα-helixtrans-67-38.8177.8-67-73-179-176.60112.5L112 L114 I118 D122 L123 T124 H129 L130L112-K126 HydrophobicContact CD1-CD 3.97Å; L112-K126 HydrophobicContact CD2-CB 4.37Å; L114-K126 HydrophobicContact CD2-CB 3.75Å; L114-K126 HydrophobicContact CD2-CD 3.67Å; L114-K126 HydrophobicContact CD2-CG 3.48Å; L114-K126 VanDerWaalsContact CD2-CG 3.48Å; I118-K126 HydrophobicContact CD1-CG 4.04Å; D122-K126 VanDerWaalsContact O-CG 3.24Å; D122-K126 WeakPolarHBondContact O-CG 3.27Å; D122-K126 PolarHBondContact O-N 2.81Å; L123-K126 WeakPolarHBondContact O-CB 3.48Å; L123-K126 PolarHBondContact O-N 3.05Å; T124-K126 VanDerWaalsContact C-N 3.32Å; T124-K126 PolarHBondContact O-N 2.68Å; K126-H129 WeakPolarHBondContact O-CB 3.44Å; K126-H129 PolarHBondContact O-N 3.2Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 PolarHBondContact O-N 3.48Å
127I94.1Very high92Very high24 Ų2470.6 Ų70.612%0.12338%0.379CS..Hα-helixtrans-63.3-43.8174.1-70.4164.8000110.5L123 T124 H129 L130 L131 E164 L165L123-I127 HydrophobicContact CD1-CD1 4.23Å; L123-I127 HydrophobicContact CD1-CG1 4.41Å; L123-I127 HydrophobicContact CG-CD1 3.92Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.33Å; L123-I127 PolarHBondContact O-N 2.85Å; T124-I127 PolarHBondContact O-N 2.81Å; I127-H129 VanDerWaalsContact C-N 3.31Å; I127-H129 PolarHBondContact O-N 3.46Å; I127-L130 VanDerWaalsContact O-CB 3.25Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.12Å; I127-L131 PolarHBondContact O-N 3.2Å; I127-E164 HydrophobicContact CD1-CB 3.81Å; I127-E164 HydrophobicContact CD1-CG 3.81Å; I127-L165 HydrophobicContact CG2-CD2 3.96Å; I127-L165 HydrophobicContact CG2-CG 4.48Å
128K94.4Very high92.1Very high162 Ų16267.4 Ų67.470%0.70436%0.357SS*.Hα-helixtrans-60.2-42174.3-175.3179.2179.2178.60111.7T124 V125 L131 D132T124-K128 PolarHBondContact O-N 3.3Å; V125-K128 PolarHBondContact O-N 2.77Å; K128-L131 PolarHBondContact O-N 2.76Å; K128-D132 PolarHBondContact O-N 2.84Å
129H94.7Very high92.2Very high88 Ų8866.7 Ų66.741%0.40735%0.354SS..Hα-helixtrans-64.2-41.9175.7-169.662.1000112V125 K126 I127 L131 D132 M133V125-H129 PolarHBondContact O-N 3.28Å; K126-H129 WeakPolarHBondContact O-CB 3.44Å; K126-H129 PolarHBondContact O-N 3.2Å; I127-H129 VanDerWaalsContact C-N 3.31Å; I127-H129 PolarHBondContact O-N 3.46Å; H129-L131 VanDerWaalsContact C-N 3.31Å; H129-L131 PolarHBondContact O-N 3.33Å; H129-D132 PolarHBondContact O-N 3.35Å; H129-M133 PolarHBondContact CD2-SD 3.2Å; H129-M133 PolarHBondContact NE2-SD 3.31Å; H129-M133 WeakPolarHBondContact O-CG 3.12Å; H129-M133 PolarHBondContact O-N 2.77Å
130L93.9Very high92.3Very high1 Ų164.2 Ų64.21%0.00534%0.337CS..Hα-helixtrans-54.9-47.6172.5-110.7162.9000111.6L112 K126 I127 M133 L134 V140 V142 L165 L185L112-L130 HydrophobicContact CD2-CB 4.49Å; L112-L130 HydrophobicContact CD2-CD1 3.72Å; L112-L130 HydrophobicContact CD2-CG 3.61Å; K126-L130 WeakPolarHBondContact O-CB 3.37Å; K126-L130 PolarHBondContact O-N 3.48Å; I127-L130 VanDerWaalsContact O-CB 3.25Å; I127-L130 WeakPolarHBondContact O-CB 3.35Å; I127-L130 PolarHBondContact O-N 3.12Å; L130-M133 PolarHBondContact O-N 3.17Å; L130-L134 HydrophobicContact CD2-CD1 4.47Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.04Å; L130-V140 HydrophobicContact CD2-CB 3.74Å; L130-V140 HydrophobicContact CD2-CG1 3.5Å; L130-V140 VanDerWaalsContact CD2-CG1 3.5Å; L130-V140 HydrophobicContact CD2-CG2 4.16Å; L130-V140 HydrophobicContact CG-CG1 4.39Å; L130-V142 HydrophobicContact CD1-CG2 3.68Å; L130-V142 HydrophobicContact CD2-CG2 3.91Å; L130-V142 HydrophobicContact CG-CG2 4.18Å; L130-L165 HydrophobicContact CD1-CD1 4.22Å; L130-L185 HydrophobicContact CD2-CD1 3.86Å
131L91.9Very high92.6Very high54 Ų5462.5 Ų62.528%0.28332%0.324SS..Hα-helixtrans-62.7-44.5178.5-174.662.1000111.8I127 K128 H129 M133 L134 S135 K168I127-L131 PolarHBondContact O-N 3.2Å; K128-L131 PolarHBondContact O-N 2.76Å; H129-L131 VanDerWaalsContact C-N 3.31Å; H129-L131 PolarHBondContact O-N 3.33Å; L131-M133 VanDerWaalsContact C-N 3.29Å; L131-M133 PolarHBondContact O-N 2.83Å; L131-L134 PolarHBondContact O-N 3.41Å; L131-S135 WeakPolarHBondContact O-CB 3.46Å; L131-S135 PolarHBondContact O-N 3.33Å; L131-S135 PolarHBondContact O-OG 2.83Å; L131-S135 VanDerWaalsContact O-OG 3.04Å; L131-K168 HydrophobicContact CD1-CB 4.23Å; L131-K168 HydrophobicContact CD1-CD 3.88Å; L131-K168 HydrophobicContact CD2-CD 4.2Å
132D92.8Very high92.6Very high72 Ų7255.8 Ų55.839%0.38529%0.293SS..Hα-helixtrans-60.3-37.7175.5174.259.4000112.4K128 H129 K136K128-D132 PolarHBondContact O-N 2.84Å; H129-D132 PolarHBondContact O-N 3.35Å; D132-K136 WeakPolarHBondContact O-CD 3.41Å; D132-K136 WeakPolarHBondContact O-CG 3.45Å; D132-K136 PolarHBondContact O-N 3.35Å; D132-K136 WeakPolarHBondContact OD1-CE 3.42Å; D132-K136 IonicContact OD1-NZ 3.55Å; D132-K136 PolarHBondContact OD1-NZ 2.85Å; D132-K136 VanDerWaalsContact OD1-NZ 3.07Å; D132-K136 IonicContact OD2-NZ 2.7Å; D132-K136 PolarHBondContact OD2-NZ 3.05Å
133M91.3Very high92.6Very high5 Ų553 Ų533%0.02528%0.277CS..Hα-helixtrans-67.7-43.7175.5-65.4162.579.600111.8K110 H129 L130 L131 K136 C138 V140K110-M133 HydrophobicContact CB-CE 3.14Å; K110-M133 HydrophobicContact CD-CE 3.38Å; K110-M133 HydrophobicContact CD-CG 4.29Å; K110-M133 HydrophobicContact CG-CE 3.89Å; H129-M133 PolarHBondContact CD2-SD 3.2Å; H129-M133 PolarHBondContact NE2-SD 3.31Å; H129-M133 WeakPolarHBondContact O-CG 3.12Å; H129-M133 PolarHBondContact O-N 2.77Å; L130-M133 PolarHBondContact O-N 3.17Å; L131-M133 VanDerWaalsContact C-N 3.29Å; L131-M133 PolarHBondContact O-N 2.83Å; M133-K136 WeakPolarHBondContact O-CB 3.45Å; M133-K136 PolarHBondContact O-N 2.79Å; M133-C138 HydrophobicContact CB-CB 4.48Å; M133-C138 WeakPolarHBondContact O-CB 3.49Å; M133-C138 PolarHBondContact O-N 2.84Å; M133-C138 VanDerWaalsContact O-N 3.16Å; M133-V140 HydrophobicContact CB-CG2 3.59Å; M133-V140 HydrophobicContact CE-CB 4.42Å; M133-V140 HydrophobicContact CE-CG1 3.72Å; M133-V140 HydrophobicContact CE-CG2 3.86Å; M133-V140 HydrophobicContact SD-CG1 4.26Å; M133-V140 HydrophobicContact SD-CG2 4.3Å
134L91Very high92.7Very high7 Ų752 Ų524%0.03727%0.272CS..Hα-helixtrans-65.1-41.1177.9-69.1168.6000111.5L130 L131 K136 G137 V140 A169 L185 P187L130-L134 HydrophobicContact CD2-CD1 4.47Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.04Å; L131-L134 PolarHBondContact O-N 3.41Å; L134-K136 PolarHBondContact O-N 3.02Å; L134-G137 PolarHBondContact O-N 2.77Å; L134-V140 HydrophobicContact CD2-CG2 4.17Å; L134-V140 HydrophobicContact CG-CG2 4.34Å; L134-A169 HydrophobicContact CD1-CB 3.7Å; L134-L185 HydrophobicContact CD2-CB 4.19Å; L134-P187 HydrophobicContact CB-CB 4.45Å; L134-P187 HydrophobicContact CD2-CB 4.35Å
135S88.9Confident92.5Very high97 Ų9750 Ų5068%0.67826%0.262SS*.Hα-helixtrans-60.6-25.2175.1-63.80000113.2L131 G137L131-S135 WeakPolarHBondContact O-CB 3.46Å; L131-S135 PolarHBondContact O-N 3.33Å; L131-S135 PolarHBondContact O-OG 2.83Å; L131-S135 VanDerWaalsContact O-OG 3.04Å; S135-G137 PolarHBondContact O-N 3.14Å
136K88.1Confident92Very high125 Ų12547 Ų4754%0.54325%0.247SC..THydrogen-bonded Turntrans-82.45.1174.3-69.6166-177.41650113.3D132 M133 L134 C138D132-K136 WeakPolarHBondContact O-CD 3.41Å; D132-K136 WeakPolarHBondContact O-CG 3.45Å; D132-K136 PolarHBondContact O-N 3.35Å; D132-K136 WeakPolarHBondContact OD1-CE 3.42Å; D132-K136 IonicContact OD1-NZ 3.55Å; D132-K136 PolarHBondContact OD1-NZ 2.85Å; D132-K136 VanDerWaalsContact OD1-NZ 3.07Å; D132-K136 IonicContact OD2-NZ 2.7Å; D132-K136 PolarHBondContact OD2-NZ 3.05Å; M133-K136 WeakPolarHBondContact O-CB 3.45Å; M133-K136 PolarHBondContact O-N 2.79Å; L134-K136 PolarHBondContact O-N 3.02Å; K136-C138 VanDerWaalsContact C-N 3.28Å; K136-C138 PolarHBondContact O-N 3.01Å
137G86.8Confident91.2Very high38 Ų3846.1 Ų46.139%0.39225%0.251SS..THydrogen-bonded Turntrans71.720.2-175.100000113.5L134 S135L134-G137 PolarHBondContact O-N 2.77Å; S135-G137 PolarHBondContact O-N 3.14Å
138C89.4Confident90.1Very high5 Ų553.8 Ų53.83%0.03428%0.283CS..  trans-84.5139.5178.1-57.30000110.5K108 M133 K136K108-C138 VanDerWaalsContact O-CA 3.26Å; K108-C138 WeakPolarHBondContact O-CA 3.45Å; K108-C138 VanDerWaalsContact O-CB 3.24Å; K108-C138 WeakPolarHBondContact O-CB 3.43Å; M133-C138 HydrophobicContact CB-CB 4.48Å; M133-C138 WeakPolarHBondContact O-CB 3.49Å; M133-C138 PolarHBondContact O-N 2.84Å; M133-C138 VanDerWaalsContact O-N 3.16Å; K136-C138 VanDerWaalsContact C-N 3.28Å; K136-C138 PolarHBondContact O-N 3.01Å
139V91.8Very high89Confident27 Ų2752.6 Ų52.616%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-83.5123.9167.2-179.60000108.2V107 K108 H109 K110 V184 T186V107-V139 HydrophobicContact CG1-CG2 3.87Å; K108-V139 PolarHBondContact O-N 3.26Å; K108-V139 VanDerWaalsContact O-N 3.15Å; H109-V139 WeakPolarHBondContact CA-O 3.35Å; K110-V139 PolarHBondContact N-O 3.2Å; V139-V184 HydrophobicContact CG1-CG1 3.66Å; V139-T186 HydrophobicContact CG1-CG2 4.33Å; V139-T186 HydrophobicContact CG2-CG2 3.87Å
140V95.1Very high87.6Confident0 Ų049.3 Ų49.30%028%0.276CS..EExtended strand (participates in β ladder)trans-112.1120.2-172.9-170.50000110.8K110 L112 L130 M133 L134 V142 L185K110-V140 CarbonylContact O-C 3.55Å; K110-V140 WeakPolarHBondContact O-CA 3.33Å; L112-V140 HydrophobicContact CB-CG1 4.15Å; L130-V140 HydrophobicContact CD2-CB 3.74Å; L130-V140 HydrophobicContact CD2-CG1 3.5Å; L130-V140 VanDerWaalsContact CD2-CG1 3.5Å; L130-V140 HydrophobicContact CD2-CG2 4.16Å; L130-V140 HydrophobicContact CG-CG1 4.39Å; M133-V140 HydrophobicContact CB-CG2 3.59Å; M133-V140 HydrophobicContact CE-CB 4.42Å; M133-V140 HydrophobicContact CE-CG1 3.72Å; M133-V140 HydrophobicContact CE-CG2 3.86Å; M133-V140 HydrophobicContact SD-CG1 4.26Å; M133-V140 HydrophobicContact SD-CG2 4.3Å; L134-V140 HydrophobicContact CD2-CG2 4.17Å; L134-V140 HydrophobicContact CG-CG2 4.34Å; V140-V142 HydrophobicContact CG1-CG2 4.3Å; V140-L185 PolarHBondContact N-O 2.73Å; V140-L185 PolarHBondContact O-N 2.85Å
141R95.3Very high86.1Confident113 Ų11358 Ų5843%0.42632%0.317SS..EExtended strand (participates in β ladder)trans-93.2114.4170.3176.3176.6164.5164.5-1.4109.1K110 V111 L112 E143 V182 V184K110-R141 PolarHBondContact O-N 3.22Å; V111-R141 CarbonylContact C-O 3.59Å; V111-R141 VanDerWaalsContact CA-O 3.27Å; V111-R141 WeakPolarHBondContact CA-O 3.27Å; V111-R141 HydrophobicContact CG2-CB 4.42Å; L112-R141 PolarHBondContact N-O 2.96Å; R141-E143 HydrophobicContact CG-CG 4.2Å; R141-E143 IonicContact CZ-OE1 2.71Å; R141-E143 IonicContact NE-OE1 3.53Å; R141-E143 PolarHBondContact NE-OE1 2.89Å; R141-E143 IonicContact NH2-OE1 3.88Å; R141-E143 PolarHBondContact NH2-OE1 3.36Å; R141-V182 HydrophobicContact CG-CG1 3.73Å; R141-V184 HydrophobicContact CB-CG2 4.43Å; R141-V184 HydrophobicContact CG-CG2 4.39Å
142V95.2Very high85Confident0 Ų061.3 Ų61.30%033%0.329CS..EExtended strand (participates in β ladder)trans-94.7123.4176179.80000108.7L112 L114 L130 V140 V144 I161 V182 I183 L185L112-V142 HydrophobicContact CB-CG2 4.32Å; L112-V142 CarbonylContact O-C 3.52Å; L112-V142 VanDerWaalsContact O-CA 3.32Å; L112-V142 WeakPolarHBondContact O-CA 3.47Å; L114-V142 HydrophobicContact CD1-CG1 3.63Å; L114-V142 HydrophobicContact CG-CG1 4.26Å; L130-V142 HydrophobicContact CD1-CG2 3.68Å; L130-V142 HydrophobicContact CD2-CG2 3.91Å; L130-V142 HydrophobicContact CG-CG2 4.18Å; V140-V142 HydrophobicContact CG1-CG2 4.3Å; V142-V144 HydrophobicContact CG1-CG2 4.28Å; V142-I161 HydrophobicContact CG1-CD1 4.14Å; V142-V182 CarbonylContact O-C 3.51Å; V142-V182 VanDerWaalsContact O-CA 3.28Å; V142-V182 WeakPolarHBondContact O-CA 3.31Å; V142-I183 HydrophobicContact CB-CG2 3.9Å; V142-I183 PolarHBondContact N-O 2.94Å; V142-I183 PolarHBondContact O-N 2.95Å; V142-L185 HydrophobicContact CB-CD1 4.12Å; V142-L185 HydrophobicContact CG2-CD1 3.27Å
143E94.1Very high84.4Confident23 Ų2362 Ų6211%0.10733%0.333CS..EExtended strand (participates in β ladder)trans-113.1123.4176.9-58.1-172.8145.900108.7V111 L112 R113 L114 R141 V182V111-E143 HydrophobicContact CG1-CG 3.93Å; L112-E143 PolarHBondContact O-N 3.18Å; R113-E143 CarbonylContact C-O 3.59Å; R113-E143 WeakPolarHBondContact CA-O 3.36Å; R113-E143 HydrophobicContact CG-CB 4.43Å; R113-E143 IonicContact NE-OE2 2.78Å; R113-E143 PolarHBondContact NE-OE2 2.97Å; L114-E143 PolarHBondContact N-O 3.39Å; R141-E143 HydrophobicContact CG-CG 4.2Å; R141-E143 IonicContact CZ-OE1 2.71Å; R141-E143 IonicContact NE-OE1 3.53Å; R141-E143 PolarHBondContact NE-OE1 2.89Å; R141-E143 IonicContact NH2-OE1 3.88Å; R141-E143 PolarHBondContact NH2-OE1 3.36Å; E143-V182 HydrophobicContact CB-CG2 4.45Å; E143-V182 HydrophobicContact CG-CG1 4.24Å; E143-V182 HydrophobicContact CG-CG2 4.11Å
144V92.8Very high84.1Confident0 Ų061.8 Ų61.80%033%0.332CS..EExtended strand (participates in β ladder)trans-110.1115177.5-1730000107.7L114 V142 A154 L157 I158 H180 A181L114-V144 HydrophobicContact CB-CG2 4.31Å; L114-V144 HydrophobicContact CD1-CG2 4.5Å; L114-V144 CarbonylContact O-C 3.48Å; L114-V144 WeakPolarHBondContact O-CA 3.41Å; V142-V144 HydrophobicContact CG1-CG2 4.28Å; V144-A154 HydrophobicContact CB-CB 4.19Å; V144-A154 HydrophobicContact CG1-CB 3.79Å; V144-L157 HydrophobicContact CG1-CB 4.32Å; V144-L157 HydrophobicContact CG1-CD1 4.1Å; V144-L157 HydrophobicContact CG1-CD2 4.1Å; V144-L157 HydrophobicContact CG1-CG 4.43Å; V144-L157 HydrophobicContact CG2-CD2 3.83Å; V144-I158 HydrophobicContact CG2-CD1 4.37Å; V144-I158 HydrophobicContact CG2-CG1 3.87Å; V144-H180 CarbonylContact O-C 3.56Å; V144-H180 WeakPolarHBondContact O-CA 3.32Å; V144-A181 PolarHBondContact N-O 2.98Å; V144-A181 PolarHBondContact O-N 3.44Å
145S90.1Very high83.8Confident49 Ų4966.9 Ų66.934%0.34336%0.355SS..EExtended strand (participates in β ladder)trans-111.8123.9177.9-57.70000109.7L114 H115 A116L114-S145 PolarHBondContact O-N 3.02Å; H115-S145 CarbonylContact C-O 3.57Å; H115-S145 WeakPolarHBondContact CA-O 3.48Å; H115-S145 PolarHBondContact CD2-O 3.49Å; A116-S145 PolarHBondContact N-O 3.22Å
146G84.5Confident83.8Confident18 Ų1868 Ų6819%0.18635%0.35CS..  trans-116.5153.6171.300000110.1A116 H179A116-G146 VanDerWaalsContact CB-CA 3.48Å; G146-H179 WeakPolarHBondContact CA-O 3.37Å; G146-H179 PolarHBondContact N-O 3.28Å
147S79Confident83.8Confident60 Ų6062.7 Ų62.742%0.4233%0.327SS..  trans-84154.3169.7-67.90000109.2V149 S150 H179S147-V149 PolarHBondContact O-N 3.43Å; S147-S150 PolarHBondContact N-OG 3.3Å; S147-S150 PolarHBondContact O-N 3.29Å; S147-S150 VanDerWaalsContact O-N 3.12Å; S147-S150 PolarHBondContact O-OG 3.03Å; S147-H179 PolarHBondContact O-ND1 3.01Å
148K71.9Confident84Confident185 Ų18561.3 Ų61.380%0.80431%0.31SS*.THydrogen-bonded Turntrans-57.4-28.4168.8-67.9-178.4179.2177.80112.3S150K148-S150 VanDerWaalsContact C-N 3.33Å
149V71.3Confident84Confident138 Ų13862.5 Ų62.584%0.83632%0.324SS*.THydrogen-bonded Turntrans-69.6-28.8-180-177.80000112.2S147S147-V149 PolarHBondContact O-N 3.43Å
150S63.4Low83.9Confident19 Ų1965.3 Ų65.313%0.13333%0.334CS..  trans-87.1123.3179550000110.3S147 K148 F152S147-S150 PolarHBondContact N-OG 3.3Å; S147-S150 PolarHBondContact O-N 3.29Å; S147-S150 VanDerWaalsContact O-N 3.12Å; S147-S150 PolarHBondContact O-OG 3.03Å; K148-S150 VanDerWaalsContact C-N 3.33Å; S150-F152 PolarHBondContact O-N 3.47Å; S150-F152 VanDerWaalsContact O-N 3.09Å
151E63.6Low83.8Confident183 Ų18365.4 Ų65.486%0.85533%0.334SS*.  trans-61.8-12.7172-62.4178.9174.400112.9N153E151-N153 PolarHBondContact O-N 2.88Å; E151-N153 VanDerWaalsContact O-N 3.14Å
152F68.1Low83.5Confident124 Ų12463.6 Ų63.654%0.54433%0.33SS..  trans-69.6110.4-179.2-61.5-68.6000111.7A116 S150 A154A116-F152 HydrophobicContact CB-CB 4.02Å; S150-F152 PolarHBondContact O-N 3.47Å; S150-F152 VanDerWaalsContact O-N 3.09Å; F152-A154 PolarHBondContact O-N 2.7Å
153N80.3Confident83.4Confident86 Ų8668 Ų6846%0.4636%0.357SS..  trans-69.3120.6174.5-68.7-36.1000110.6E151 Q155 H156 L157 T178E151-N153 PolarHBondContact O-N 2.88Å; E151-N153 VanDerWaalsContact O-N 3.14Å; N153-Q155 PolarHBondContact O-N 3.31Å; N153-H156 HydrophobicContact CB-CB 4.17Å; N153-H156 WeakPolarHBondContact O-CB 3.15Å; N153-H156 PolarHBondContact O-N 3.07Å; N153-L157 PolarHBondContact O-N 2.78Å; N153-T178 VanDerWaalsContact OD1-CG2 3.24Å; N153-T178 WeakPolarHBondContact OD1-CG2 3.4Å
154A86Confident83.2Confident0 Ų072.6 Ų72.60%038%0.378CS..Hα-helixtrans-57.5-32.7176.300000111.8V144 F152 H156 L157 I158 T178 A181V144-A154 HydrophobicContact CB-CB 4.19Å; V144-A154 HydrophobicContact CG1-CB 3.79Å; F152-A154 PolarHBondContact O-N 2.7Å; A154-H156 VanDerWaalsContact C-N 3.34Å; A154-H156 PolarHBondContact O-N 3.32Å; A154-L157 PolarHBondContact O-N 2.88Å; A154-I158 PolarHBondContact O-N 3.48Å; A154-I158 VanDerWaalsContact O-N 3.09Å; A154-T178 PolarHBondContact N-O 2.85Å; A154-A181 HydrophobicContact CB-CB 3.87Å
155Q84.8Confident83Confident115 Ų11572.6 Ų72.654%0.53738%0.378SS..Hα-helixtrans-63-37.9175.3-63.1-173.53.900112.9N153 L157 I158 G159N153-Q155 PolarHBondContact O-N 3.31Å; Q155-L157 VanDerWaalsContact C-N 3.33Å; Q155-I158 PolarHBondContact O-N 2.85Å; Q155-G159 PolarHBondContact O-N 3.2Å
156H87.8Confident82.8Confident121 Ų12175.4 Ų75.456%0.5639%0.389SS*.Hα-helixtrans-65.9-40.2178.4-176.371.7000110.9N153 A154 G159 K160N153-H156 HydrophobicContact CB-CB 4.17Å; N153-H156 WeakPolarHBondContact O-CB 3.15Å; N153-H156 PolarHBondContact O-N 3.07Å; A154-H156 VanDerWaalsContact C-N 3.34Å; A154-H156 PolarHBondContact O-N 3.32Å; H156-G159 WeakPolarHBondContact O-CA 3.4Å; H156-G159 PolarHBondContact O-N 2.93Å; H156-G159 VanDerWaalsContact O-N 3.12Å; H156-K160 WeakPolarHBondContact NE2-CE 3.19Å; H156-K160 PolarHBondContact O-N 2.96Å
157L88.5Confident82.7Confident13 Ų1378.4 Ų78.47%0.06842%0.42CS..Hα-helixtrans-63.4-41.7175.5-165.6156.1000111.5L114 I118 L123 V144 N153 A154 Q155 G159 K160 I161L114-L157 HydrophobicContact CD1-CD2 4.09Å; I118-L157 HydrophobicContact CG2-CD1 3.59Å; L123-L157 HydrophobicContact CD1-CD2 4.37Å; V144-L157 HydrophobicContact CG1-CB 4.32Å; V144-L157 HydrophobicContact CG1-CD1 4.1Å; V144-L157 HydrophobicContact CG1-CD2 4.1Å; V144-L157 HydrophobicContact CG1-CG 4.43Å; V144-L157 HydrophobicContact CG2-CD2 3.83Å; N153-L157 PolarHBondContact O-N 2.78Å; A154-L157 PolarHBondContact O-N 2.88Å; Q155-L157 VanDerWaalsContact C-N 3.33Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3.17Å; L157-K160 WeakPolarHBondContact O-CB 2.91Å; L157-K160 PolarHBondContact O-N 3.36Å; L157-I161 HydrophobicContact CD2-CD1 3.48Å; L157-I161 VanDerWaalsContact CD2-CD1 3.48Å; L157-I161 HydrophobicContact CD2-CG1 4.09Å; L157-I161 WeakPolarHBondContact O-CG1 3.04Å; L157-I161 PolarHBondContact O-N 3.47Å
158I90.7Very high83Confident8 Ų881.1 Ų81.14%0.04142%0.424CS..Hα-helixtrans-61.7-39.6172.2-69-173.5000111.2V144 A154 Q155 K160 I161 K162 A181 I183V144-I158 HydrophobicContact CG2-CD1 4.37Å; V144-I158 HydrophobicContact CG2-CG1 3.87Å; A154-I158 PolarHBondContact O-N 3.48Å; A154-I158 VanDerWaalsContact O-N 3.09Å; Q155-I158 PolarHBondContact O-N 2.85Å; I158-K160 VanDerWaalsContact C-N 3.35Å; I158-K160 PolarHBondContact O-N 3.29Å; I158-I161 PolarHBondContact O-N 3.25Å; I158-K162 HydrophobicContact CG2-CD 4.28Å; I158-K162 HydrophobicContact CG2-CG 4.36Å; I158-K162 WeakPolarHBondContact O-CG 3.48Å; I158-K162 PolarHBondContact O-N 3.34Å; I158-A181 HydrophobicContact CD1-CB 3.33Å; I158-A181 HydrophobicContact CG1-CB 4.29Å; I158-I183 HydrophobicContact CD1-CB 4.37Å; I158-I183 HydrophobicContact CD1-CG2 4.28Å; I158-I183 HydrophobicContact CG2-CD1 4.07Å; I158-I183 HydrophobicContact CG2-CG2 4.38Å
159G90.5Very high83.8Confident31 Ų3172.8 Ų72.832%0.3239%0.39SS..Hα-helixtrans-56.1-48.2173.100000111.9Q155 H156 L157 I161 K162 T163Q155-G159 PolarHBondContact O-N 3.2Å; H156-G159 WeakPolarHBondContact O-CA 3.4Å; H156-G159 PolarHBondContact O-N 2.93Å; H156-G159 VanDerWaalsContact O-N 3.12Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3.17Å; G159-I161 PolarHBondContact O-N 2.67Å; G159-K162 PolarHBondContact O-N 2.87Å; G159-T163 PolarHBondContact O-N 3.04Å; G159-T163 PolarHBondContact O-OG1 3.07Å; G159-T163 VanDerWaalsContact O-OG1 3.11Å
160K89.8Confident84.7Confident86 Ų8671.3 Ų71.337%0.37437%0.372SS..Hα-helixtrans-57.9-48.5174-69.3-171.4177.5-170.30111.7H156 L157 I158 K162 T163 E164H156-K160 WeakPolarHBondContact NE2-CE 3.19Å; H156-K160 PolarHBondContact O-N 2.96Å; L157-K160 WeakPolarHBondContact O-CB 2.91Å; L157-K160 PolarHBondContact O-N 3.36Å; I158-K160 VanDerWaalsContact C-N 3.35Å; I158-K160 PolarHBondContact O-N 3.29Å; K160-K162 VanDerWaalsContact C-N 3.3Å; K160-K162 PolarHBondContact O-N 3.25Å; K160-T163 PolarHBondContact O-N 3.48Å; K160-T163 VanDerWaalsContact O-N 3.15Å; K160-E164 VanDerWaalsContact O-CG 3.32Å; K160-E164 WeakPolarHBondContact O-CG 3.35Å; K160-E164 PolarHBondContact O-N 3.1Å
161I91.8Very high86Confident1 Ų173.4 Ų73.41%0.00538%0.379CS..Hα-helixtrans-59.3-41.5178.4-67.3172.8000111.6L114 L123 V142 L157 I158 G159 E164 L165L114-I161 HydrophobicContact CD1-CD1 3.53Å; L123-I161 HydrophobicContact CD1-CD1 4.44Å; L123-I161 HydrophobicContact CD1-CG1 4.14Å; V142-I161 HydrophobicContact CG1-CD1 4.14Å; L157-I161 HydrophobicContact CD2-CD1 3.48Å; L157-I161 VanDerWaalsContact CD2-CD1 3.48Å; L157-I161 HydrophobicContact CD2-CG1 4.09Å; L157-I161 WeakPolarHBondContact O-CG1 3.04Å; L157-I161 PolarHBondContact O-N 3.47Å; I158-I161 PolarHBondContact O-N 3.25Å; G159-I161 PolarHBondContact O-N 2.67Å; I161-E164 PolarHBondContact O-N 3.09Å; I161-L165 HydrophobicContact CG2-CD1 3.75Å; I161-L165 HydrophobicContact CG2-CG 4.41Å; I161-L165 WeakPolarHBondContact O-CB 3.44Å; I161-L165 PolarHBondContact O-N 3.25Å
162K90.3Very high87.2Confident76 Ų7665.8 Ų65.833%0.3335%0.35SS..Hα-helixtrans-60.7-46.7176-75178178.2-175.60111I158 G159 K160 E164 L165 N166 F171 I183I158-K162 HydrophobicContact CG2-CD 4.28Å; I158-K162 HydrophobicContact CG2-CG 4.36Å; I158-K162 WeakPolarHBondContact O-CG 3.48Å; I158-K162 PolarHBondContact O-N 3.34Å; G159-K162 PolarHBondContact O-N 2.87Å; K160-K162 VanDerWaalsContact C-N 3.3Å; K160-K162 PolarHBondContact O-N 3.25Å; K162-E164 PolarHBondContact O-N 3.05Å; K162-L165 PolarHBondContact O-N 3.17Å; K162-N166 PolarHBondContact O-N 3.11Å; K162-N166 PolarHBondContact O-OD1 3.09Å; K162-F171 HydrophobicContact CB-CE1 4.31Å; K162-F171 HydrophobicContact CB-CZ 4.31Å; K162-F171 HydrophobicContact CG-CD1 3.99Å; K162-F171 HydrophobicContact CG-CE1 3.96Å; K162-F171 HydrophobicContact CG-CG 4.42Å; K162-F171 HydrophobicContact CG-CZ 4.37Å; K162-F171 WeakPolarHBondContact O-CZ 3.39Å; K162-I183 HydrophobicContact CD-CD1 4.43Å; K162-I183 HydrophobicContact CG-CD1 4.23Å
163T91.8Very high88.2Confident92 Ų9264.7 Ų64.756%0.56436%0.355SS*.Hα-helixtrans-59.3-47178.1-57.30000112G159 K160 L165 N166G159-T163 PolarHBondContact O-N 3.04Å; G159-T163 PolarHBondContact O-OG1 3.07Å; G159-T163 VanDerWaalsContact O-OG1 3.11Å; K160-T163 PolarHBondContact O-N 3.48Å; K160-T163 VanDerWaalsContact O-N 3.15Å; T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 2.9Å; T163-N166 WeakPolarHBondContact CA-ND2 3.29Å; T163-N166 WeakPolarHBondContact O-CB 3.41Å; T163-N166 PolarHBondContact O-N 3.32Å; T163-N166 PolarHBondContact O-ND2 3.44Å
164E89.6Confident88.4Confident119 Ų11963 Ų6356%0.55635%0.353SS*.Hα-helixtrans-67.8-30.7-179.5-68.8-63.614000113.5I127 K160 I161 K162I127-E164 HydrophobicContact CD1-CB 3.81Å; I127-E164 HydrophobicContact CD1-CG 3.81Å; K160-E164 VanDerWaalsContact O-CG 3.32Å; K160-E164 WeakPolarHBondContact O-CG 3.35Å; K160-E164 PolarHBondContact O-N 3.1Å; I161-E164 PolarHBondContact O-N 3.09Å; K162-E164 PolarHBondContact O-N 3.05Å
165L88.4Confident88.4Confident1 Ų169.6 Ų69.61%0.00538%0.384CS..THydrogen-bonded Turntrans-98.56.1-178.8-69.8179.6000114I127 L130 I161 K162 T163 G167 K168 F171 L185I127-L165 HydrophobicContact CG2-CD2 3.96Å; I127-L165 HydrophobicContact CG2-CG 4.48Å; L130-L165 HydrophobicContact CD1-CD1 4.22Å; I161-L165 HydrophobicContact CG2-CD1 3.75Å; I161-L165 HydrophobicContact CG2-CG 4.41Å; I161-L165 WeakPolarHBondContact O-CB 3.44Å; I161-L165 PolarHBondContact O-N 3.25Å; K162-L165 PolarHBondContact O-N 3.17Å; T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 2.9Å; L165-G167 PolarHBondContact O-N 2.92Å; L165-G167 VanDerWaalsContact O-N 3.14Å; L165-K168 PolarHBondContact O-N 3.14Å; L165-F171 HydrophobicContact CB-CE1 3.9Å; L165-F171 HydrophobicContact CB-CZ 3.55Å; L165-F171 HydrophobicContact CD1-CE1 4.43Å; L165-L185 HydrophobicContact CD1-CD2 3.58Å
166N87Confident88.2Confident108 Ų10866.3 Ų66.358%0.57838%0.381SS*.THydrogen-bonded Turntrans-53.2120.9176.3-83.4-33.3000110.6K162 T163K162-N166 PolarHBondContact O-N 3.11Å; K162-N166 PolarHBondContact O-OD1 3.09Å; T163-N166 WeakPolarHBondContact CA-ND2 3.29Å; T163-N166 WeakPolarHBondContact O-CB 3.41Å; T163-N166 PolarHBondContact O-N 3.32Å; T163-N166 PolarHBondContact O-ND2 3.44Å
167G83Confident88Confident80 Ų8064.7 Ų64.783%0.82538%0.38SS*.THydrogen-bonded Turntrans89.3-12.1179.100000116.1L165L165-G167 PolarHBondContact O-N 2.92Å; L165-G167 VanDerWaalsContact O-N 3.14Å
168K84.8Confident87.6Confident117 Ų11767.4 Ų67.451%0.50940%0.397SS..THydrogen-bonded Turntrans-99-22.4-180-59.4-169.6-177.8-1700114.1L131 L165L131-K168 HydrophobicContact CD1-CB 4.23Å; L131-K168 HydrophobicContact CD1-CD 3.88Å; L131-K168 HydrophobicContact CD2-CD 4.2Å; L165-K168 PolarHBondContact O-N 3.14Å
169A87.9Confident87.3Confident11 Ų1169.8 Ų69.89%0.09141%0.407CS..EExtended strand (participates in β ladder)trans-145.2155.8-174.300000111.4L134 L185L134-A169 HydrophobicContact CD1-CB 3.7Å; A169-L185 HydrophobicContact CB-CD2 4.13Å
170K90.2Very high87.2Confident107 Ų10772.1 Ų72.147%0.46541%0.41SS..EExtended strand (participates in β ladder)trans-89.5132.5166.3-66.1-177.5-178175.10108.6L185 T186 H188K170-L185 WeakPolarHBondContact O-CA 3.39Å; K170-T186 PolarHBondContact N-O 3.13Å; K170-T186 PolarHBondContact O-N 3.16Å; K170-H188 WeakPolarHBondContact CE-CD2 3.21Å
171F91.4Very high87.3Confident62 Ų6268.1 Ų68.127%0.27239%0.393SS..EExtended strand (participates in β ladder)trans-97.7127.5178.3-57-83.7000109.8K162 L165 I183 L185K162-F171 HydrophobicContact CB-CE1 4.31Å; K162-F171 HydrophobicContact CB-CZ 4.31Å; K162-F171 HydrophobicContact CG-CD1 3.99Å; K162-F171 HydrophobicContact CG-CE1 3.96Å; K162-F171 HydrophobicContact CG-CG 4.42Å; K162-F171 HydrophobicContact CG-CZ 4.37Å; K162-F171 WeakPolarHBondContact O-CZ 3.39Å; L165-F171 HydrophobicContact CB-CE1 3.9Å; L165-F171 HydrophobicContact CB-CZ 3.55Å; L165-F171 HydrophobicContact CD1-CE1 4.43Å; F171-I183 HydrophobicContact CB-CD1 4.16Å; F171-I183 HydrophobicContact CD1-CD1 3.91Å; F171-I183 HydrophobicContact CG-CD1 4.45Å; F171-L185 HydrophobicContact CD1-CD2 3.5Å; F171-L185 VanDerWaalsContact CD1-CD2 3.5Å; F171-L185 HydrophobicContact CD1-CG 4.23Å; F171-L185 HydrophobicContact CE1-CD2 3.43Å; F171-L185 VanDerWaalsContact CE1-CD2 3.43Å; F171-L185 HydrophobicContact CZ-CD2 4.49Å
172G88.5Confident87.4Confident23 Ų2368.9 Ų68.924%0.23740%0.398CS..  trans-76.5-178.1167.900000112.6A174 V184G172-A174 PolarHBondContact O-N 3.01Å; G172-V184 WeakPolarHBondContact CA-O 3.38Å; G172-V184 PolarHBondContact N-O 3.27Å
173P88.5Confident87.5Confident102 Ų10265.3 Ų65.366%0.66238%0.382SS*.  trans-59.8127.1175.625.8-33.6000110
174A84.6Confident87.6Confident51 Ų5163.6 Ų63.642%0.42137%0.371SS..  trans-79.9121.4171.400000108.3G172 I183G172-A174 PolarHBondContact O-N 3.01Å; A174-I183 HydrophobicContact CB-CD1 4.27Å; A174-I183 HydrophobicContact CB-CG1 4.45Å
175Q87Confident87.8Confident138 Ų13857.9 Ų57.965%0.64535%0.345SS*.EExtended strand (participates in β ladder)trans-114.2125.7177.5-62.7-1777.200108.4A181 V182Q175-A181 CarbonylContact O-C 3.42Å; Q175-V182 PolarHBondContact N-O 2.96Å; Q175-V182 PolarHBondContact O-N 2.91Å; Q175-V182 VanDerWaalsContact O-O 3.14Å
176G80.9Confident87.9Confident45 Ų4560.6 Ų60.646%0.46436%0.361SS..EExtended strand (participates in β ladder)trans-177.9154-179.100000115.2H180G176-H180 CarbonylContact C-O 3.6Å; G176-H180 WeakPolarHBondContact CA-O 3.26Å
177T83.1Confident87.9Confident88 Ų8856.7 Ų56.754%0.5434%0.342SS..  trans-89.4-178.7164.463.60000109.8H179 H180T177-H179 VanDerWaalsContact C-N 3.27Å; T177-H179 PolarHBondContact O-N 2.84Å; T177-H180 PolarHBondContact N-O 3.17Å; T177-H180 PolarHBondContact OG1-N 2.91Å; T177-H180 PolarHBondContact OG1-O 2.93Å
178T80.9Confident87.7Confident69 Ų6958.1 Ų58.142%0.42333%0.327SS..SBendtrans-55.6-41.7175.1-47.70000112.6N153 A154N153-T178 VanDerWaalsContact OD1-CG2 3.24Å; N153-T178 WeakPolarHBondContact OD1-CG2 3.4Å; A154-T178 PolarHBondContact N-O 2.85Å
179H83.9Confident86.9Confident58 Ų5859.7 Ų59.727%0.26934%0.336SS..SBendtrans-102.8-24.2-173.3-54.1-65.7000113.6G146 S147 T177G146-H179 WeakPolarHBondContact CA-O 3.37Å; G146-H179 PolarHBondContact N-O 3.28Å; S147-H179 PolarHBondContact O-ND1 3.01Å; T177-H179 VanDerWaalsContact C-N 3.27Å; T177-H179 PolarHBondContact O-N 2.84Å
180H88.4Confident85.3Confident81 Ų8167 Ų6738%0.37537%0.373SS..EExtended strand (participates in β ladder)trans-126.8120.3179.2179.1-93.7000110.4V144 G176 T177 V182V144-H180 CarbonylContact O-C 3.56Å; V144-H180 WeakPolarHBondContact O-CA 3.32Å; G176-H180 CarbonylContact C-O 3.6Å; G176-H180 WeakPolarHBondContact CA-O 3.26Å; T177-H180 PolarHBondContact N-O 3.17Å; T177-H180 PolarHBondContact OG1-N 2.91Å; T177-H180 PolarHBondContact OG1-O 2.93Å; H180-V182 WeakPolarHBondContact CE1-CG2 3.46Å
181A91.4Very high83.3Confident2 Ų271 Ų712%0.01741%0.414CS..EExtended strand (participates in β ladder)trans-137.2145.8-179.200000111.8V144 A154 I158 Q175V144-A181 PolarHBondContact N-O 2.98Å; V144-A181 PolarHBondContact O-N 3.44Å; A154-A181 HydrophobicContact CB-CB 3.87Å; I158-A181 HydrophobicContact CD1-CB 3.33Å; I158-A181 HydrophobicContact CG1-CB 4.29Å; Q175-A181 CarbonylContact O-C 3.42Å
182V93.1Very high82.9Confident17 Ų1771.5 Ų71.510%0.10342%0.421CS..EExtended strand (participates in β ladder)trans-134137.4-173.9-176.90000108.8R141 V142 E143 Q175 H180R141-V182 HydrophobicContact CG-CG1 3.73Å; V142-V182 CarbonylContact O-C 3.51Å; V142-V182 VanDerWaalsContact O-CA 3.28Å; V142-V182 WeakPolarHBondContact O-CA 3.31Å; E143-V182 HydrophobicContact CB-CG2 4.45Å; E143-V182 HydrophobicContact CG-CG1 4.24Å; E143-V182 HydrophobicContact CG-CG2 4.11Å; Q175-V182 PolarHBondContact N-O 2.96Å; Q175-V182 PolarHBondContact O-N 2.91Å; Q175-V182 VanDerWaalsContact O-O 3.14Å; H180-V182 WeakPolarHBondContact CE1-CG2 3.46Å
183I93.5Very high82.6Confident1 Ų174 Ų741%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-138.7139.4172.5-171.2168.4000109.7V142 I158 K162 F171 A174 L185V142-I183 HydrophobicContact CB-CG2 3.9Å; V142-I183 PolarHBondContact N-O 2.94Å; V142-I183 PolarHBondContact O-N 2.95Å; I158-I183 HydrophobicContact CD1-CB 4.37Å; I158-I183 HydrophobicContact CD1-CG2 4.28Å; I158-I183 HydrophobicContact CG2-CD1 4.07Å; I158-I183 HydrophobicContact CG2-CG2 4.38Å; K162-I183 HydrophobicContact CD-CD1 4.43Å; K162-I183 HydrophobicContact CG-CD1 4.23Å; F171-I183 HydrophobicContact CB-CD1 4.16Å; F171-I183 HydrophobicContact CD1-CD1 3.91Å; F171-I183 HydrophobicContact CG-CD1 4.45Å; A174-I183 HydrophobicContact CB-CD1 4.27Å; A174-I183 HydrophobicContact CB-CG1 4.45Å; I183-L185 HydrophobicContact CG2-CD1 4.2Å
184V93.7Very high82.3Confident55 Ų5572.4 Ų72.433%0.33342%0.418SS..EExtended strand (participates in β ladder)trans-100.3130174.7-177.50000108.4V139 R141 G172V139-V184 HydrophobicContact CG1-CG1 3.66Å; R141-V184 HydrophobicContact CB-CG2 4.43Å; R141-V184 HydrophobicContact CG-CG2 4.39Å; G172-V184 WeakPolarHBondContact CA-O 3.38Å; G172-V184 PolarHBondContact N-O 3.27Å
185L92.8Very high82.1Confident0 Ų073.7 Ų73.70%042%0.418CS..EExtended strand (participates in β ladder)trans-111.6130.3176.1-62.4112.9000109.5L130 L134 V140 V142 L165 A169 K170 F171 I183L130-L185 HydrophobicContact CD2-CD1 3.86Å; L134-L185 HydrophobicContact CD2-CB 4.19Å; V140-L185 PolarHBondContact N-O 2.73Å; V140-L185 PolarHBondContact O-N 2.85Å; V142-L185 HydrophobicContact CB-CD1 4.12Å; V142-L185 HydrophobicContact CG2-CD1 3.27Å; L165-L185 HydrophobicContact CD1-CD2 3.58Å; A169-L185 HydrophobicContact CB-CD2 4.13Å; K170-L185 WeakPolarHBondContact O-CA 3.39Å; F171-L185 HydrophobicContact CD1-CD2 3.5Å; F171-L185 VanDerWaalsContact CD1-CD2 3.5Å; F171-L185 HydrophobicContact CD1-CG 4.23Å; F171-L185 HydrophobicContact CE1-CD2 3.43Å; F171-L185 VanDerWaalsContact CE1-CD2 3.43Å; F171-L185 HydrophobicContact CZ-CD2 4.49Å; I183-L185 HydrophobicContact CG2-CD1 4.2Å
186T90.5Very high81.8Confident58 Ų5869.7 Ų69.736%0.35640%0.404SS..EExtended strand (participates in β ladder)trans-112.4136.3176.2-4.60000108.1V139 K170V139-T186 HydrophobicContact CG1-CG2 4.33Å; V139-T186 HydrophobicContact CG2-CG2 3.87Å; K170-T186 PolarHBondContact N-O 3.13Å; K170-T186 PolarHBondContact O-N 3.16Å
187P87.1Confident81.9Confident26 Ų2671.3 Ų71.317%0.16940%0.4CS..EExtended strand (participates in β ladder)trans-59.7143.7172.525.6-32.9000109.4L134 E189L134-P187 HydrophobicContact CB-CB 4.45Å; L134-P187 HydrophobicContact CD2-CB 4.35Å; P187-E189 VanDerWaalsContact C-N 3.29Å; P187-E189 PolarHBondContact O-N 2.94Å
188H79.6Confident81.8Confident109 Ų10970.1 Ų70.151%0.50539%0.39SS..  trans-71.991.6170.2-175.8-74.7000107.5K170 L190K170-H188 WeakPolarHBondContact CE-CD2 3.21Å; H188-L190 PolarHBondContact O-N 3.35Å; H188-L190 VanDerWaalsContact O-N 3.14Å
189E67.4Low81.9Confident150 Ų15070.2 Ų70.270%0.70139%0.387SS*.  trans-55.1121.5171.2-64.3-169.5111.600108.4P187 S191P187-E189 VanDerWaalsContact C-N 3.29Å; P187-E189 PolarHBondContact O-N 2.94Å; E189-S191 PolarHBondContact O-N 2.98Å; E189-S191 VanDerWaalsContact O-N 3.15Å
190L55.2Low81.7Confident165 Ų16571.3 Ų71.386%0.86440%0.397SS*.  trans-63.9106.8154.7-67.8164.8000104.1H188H188-L190 PolarHBondContact O-N 3.35Å; H188-L190 VanDerWaalsContact O-N 3.14Å
191S47.7Very low81.1Confident191 Ų19170.4 Ų70.4100%1.33640%0.399SS*.  trans-53.40171.6-710000111.7E189E189-S191 PolarHBondContact O-N 2.98Å; E189-S191 VanDerWaalsContact O-N 3.15Å

Retrieved 191 of 191 residues in 148.6 ms (Link to these results)