A0A087XLT5_POEFO Loading...

Exosome complex component CSL4

AlphaFold DB , UniProt , Accession A0A087XLT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 204 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
1M35.7Very low36.9Very low241 Ų241152.5 Ų152.5100%1.18780%0.803SS**  081.30-79.4170.115800107.5
2R33.8Very low37.7Very low243 Ų243147 Ų14792%0.91779%0.786SS**  48.893.2106.6-79.3-168.3-179.4178.50.4113.6
3L31.7Very low38.5Very low163 Ų163144.8 Ų144.885%0.85379%0.785SS**  trans-128.671.2150.3-85.9165.8000107.7
4L39.2Very low40.2Very low171 Ų171140.6 Ų140.690%0.89576%0.761SS**  trans-86.996.6153-91.5150.6000104.6
5S38.3Very low42.6Very low96 Ų96139.9 Ų139.967%0.67174%0.743SS**  trans-118.1109.817755.50000110.4
6A36.5Very low45.2Very low97 Ų97138.1 Ų138.180%0.80273%0.733SS**  trans69.181.3155.400000117.9
7L36.8Very low47.5Very low120 Ų120130.1 Ų130.163%0.62869%0.69SS**  trans-98.1131.4147.7-70.2173000108
8P35.3Very low49.9Very low106 Ų106127.6 Ų127.669%0.68868%0.681SS**  trans-62.6137.3177.823.4-30.6000111.5N10P8-N10 PolarHBondContact O-N 3.17Å
9E38.9Very low52Low202 Ų202125 Ų12594%0.94467%0.672SS**THydrogen-bonded Turntrans-69.629.7-165-65.8-177.6138.700116.7
10N38.5Very low53.8Low168 Ų168120.8 Ų120.890%0.89866%0.659SS**THydrogen-bonded Turntrans-127.325.2177.1-1304.9000114.2P8P8-N10 PolarHBondContact O-N 3.17Å
11M41.5Very low55.5Low71 Ų71117.4 Ų117.435%0.3564%0.639SS.*  trans-98.7101.3-174.9-144.6159.1122.100110.4L14 M51M11-L14 HydrophobicContact CE-CD1 4.05Å; M11-L14 HydrophobicContact CE-CD2 3.18Å; M11-L14 HydrophobicContact CE-CG 3.54Å; M11-M51 HydrophobicContact CE-CE 4.04Å; M11-M51 HydrophobicContact CE-SD 3.72Å; M11-M51 HydrophobicContact SD-CE 3.79Å; M11-M51 HydrophobicContact SD-SD 4.21Å
12S46.2Very low58Low86 Ų86110.8 Ų110.860%0.60160%0.604SS**  trans-51.9150.7163.458.90000110.2L14S12-L14 PolarHBondContact O-N 2.69Å
13P47.9Very low60.4Low119 Ų119100.6 Ų100.677%0.77357%0.567SS**  trans-52.1133.3-16420.9-33000112.2R15P13-R15 VanDerWaalsContact C-N 3.31Å; P13-R15 PolarHBondContact O-N 3.46Å
14L62.3Low62.9Low85 Ų8593.7 Ų93.745%0.44553%0.532SS..  trans-52.289.7175.1-81.3162.9000110.3M11 S12 L16 Y49 M51M11-L14 HydrophobicContact CE-CD1 4.05Å; M11-L14 HydrophobicContact CE-CD2 3.18Å; M11-L14 HydrophobicContact CE-CG 3.54Å; S12-L14 PolarHBondContact O-N 2.69Å; L14-L16 PolarHBondContact O-N 3.28Å; L14-Y49 HydrophobicContact CB-CD1 3.8Å; L14-Y49 HydrophobicContact CB-CE1 4.12Å; L14-Y49 HydrophobicContact CD2-CD1 3.76Å; L14-Y49 HydrophobicContact CD2-CE1 4.48Å; L14-Y49 HydrophobicContact CD2-CG 3.85Å; L14-Y49 HydrophobicContact CG-CD1 4.32Å; L14-M51 HydrophobicContact CD2-SD 4.45Å
15R77Confident65.2Low131 Ų13187.7 Ų87.749%0.49451%0.505SS..EExtended strand (participates in β ladder)trans-78.2111.9176.7-176.4177.5173-173.5-1.6107.9P13 E21 V50P13-R15 VanDerWaalsContact C-N 3.31Å; P13-R15 PolarHBondContact O-N 3.46Å; R15-E21 IonicContact CZ-OE1 3.55Å; R15-E21 IonicContact NE-OE1 2.63Å; R15-E21 PolarHBondContact NE-OE1 3.43Å; R15-E21 IonicContact NH2-OE1 3.75Å; R15-E21 PolarHBondContact NH2-OE1 2.81Å; R15-V50 HydrophobicContact CB-CB 4.47Å; R15-V50 WeakPolarHBondContact O-CG2 3.32Å; R15-V50 PolarHBondContact O-N 3.05Å
16L83.8Confident67.2Low110 Ų11085.7 Ų85.758%0.57649%0.488SS*.EExtended strand (participates in β ladder)trans-69.6134.8169.1-162.979.9000108.5L14 G48 Y49L14-L16 PolarHBondContact O-N 3.28Å; L16-G48 CarbonylContact C-O 3.58Å; L16-G48 WeakPolarHBondContact CA-O 3.14Å; L16-Y49 HydrophobicContact CD1-CD1 4.02Å; L16-Y49 HydrophobicContact CD1-CE1 3.69Å; L16-Y49 HydrophobicContact CD1-CE2 4.36Å
17C84.6Confident69.2Low2 Ų283.6 Ų83.61%0.01448%0.476CS..EExtended strand (participates in β ladder)trans-127156.1174.966.20000111.9E21 L23 S44 A47 G48 V50 V64C17-E21 WeakPolarHBondContact CA-OE2 3.39Å; C17-E21 WeakPolarHBondContact CB-OE2 3.48Å; C17-L23 HydrophobicContact CB-CD2 4.33Å; C17-S44 PolarHBondContact SG-OG 2.94Å; C17-A47 WeakPolarHBondContact O-CA 3.45Å; C17-G48 PolarHBondContact N-O 2.87Å; C17-G48 PolarHBondContact O-N 3.37Å; C17-G48 VanDerWaalsContact O-N 3.09Å; C17-G48 PolarHBondContact SG-O 2.95Å; C17-V50 HydrophobicContact CB-CG2 3.75Å; C17-V64 WeakPolarHBondContact SG-CG1 3.47Å
18V89.8Confident71.3Confident86 Ų8682.6 Ų82.652%0.52147%0.471SS..  trans-109.3154.2174.5-64.90000111.1G20 E21 S44V18-G20 PolarHBondContact O-N 2.81Å; V18-E21 HydrophobicContact CG2-CB 4.19Å; V18-E21 PolarHBondContact N-OE2 3.09Å; V18-E21 VanDerWaalsContact N-OE2 3.17Å; V18-E21 VanDerWaalsContact O-CB 3.25Å; V18-E21 WeakPolarHBondContact O-CB 3.25Å; V18-E21 PolarHBondContact O-N 2.94Å; V18-S44 WeakPolarHBondContact O-CB 3.29Å
19P89.9Confident73.5Confident78 Ų7877.7 Ų77.751%0.50644%0.439SS..THydrogen-bonded Turntrans-55.4129.2174-23.233.2000110.9S44 A47P19-S44 CarbonylContact C-O 3.48Å; P19-S44 WeakPolarHBondContact CA-O 3.46Å; P19-A47 HydrophobicContact CG-CB 4.28Å
20G87.8Confident75.6Confident41 Ų4171.2 Ų71.242%0.42341%0.411SS..THydrogen-bonded Turntrans92.3-4.1-176.800000114.9V18 Y43 S44V18-G20 PolarHBondContact O-N 2.81Å; G20-Y43 WeakPolarHBondContact O-CD1 3.4Å; G20-S44 PolarHBondContact N-O 3.29Å
21E89.6Confident77.8Confident50 Ų5067.9 Ų67.923%0.23439%0.391CS..  trans-70.7136.3174.9-169.9175.3165.100111.5R15 C17 V18 Y43 S44R15-E21 IonicContact CZ-OE1 3.55Å; R15-E21 IonicContact NE-OE1 2.63Å; R15-E21 PolarHBondContact NE-OE1 3.43Å; R15-E21 IonicContact NH2-OE1 3.75Å; R15-E21 PolarHBondContact NH2-OE1 2.81Å; C17-E21 WeakPolarHBondContact CA-OE2 3.39Å; C17-E21 WeakPolarHBondContact CB-OE2 3.48Å; V18-E21 HydrophobicContact CG2-CB 4.19Å; V18-E21 PolarHBondContact N-OE2 3.09Å; V18-E21 VanDerWaalsContact N-OE2 3.17Å; V18-E21 VanDerWaalsContact O-CB 3.25Å; V18-E21 WeakPolarHBondContact O-CB 3.25Å; V18-E21 PolarHBondContact O-N 2.94Å; E21-Y43 CarbonylContact O-C 3.6Å; E21-Y43 VanDerWaalsContact O-CA 3.29Å; E21-Y43 WeakPolarHBondContact O-CA 3.3Å; E21-S44 PolarHBondContact O-N 2.76Å
22K88.6Confident79.9Confident102 Ų10265.5 Ų65.544%0.44338%0.384SS..EExtended strand (participates in β ladder)trans-78.4122.8177.3-179.2-179.9173.4173.30110.2Y41 Y43K22-Y41 HydrophobicContact CD-CD1 4.34Å; K22-Y43 HydrophobicContact CB-CD1 4.17Å; K22-Y43 HydrophobicContact CB-CE1 3.93Å; K22-Y43 HydrophobicContact CG-CE1 4.37Å
23L85.4Confident81.7Confident28 Ų2866.9 Ų66.915%0.14739%0.389CS..EExtended strand (participates in β ladder)trans-101.1-57.6-175.9-62.1173.1000112.4C17 V35 I42 V50 I62 V64C17-L23 HydrophobicContact CB-CD2 4.33Å; L23-V35 HydrophobicContact CD1-CG1 3.46Å; L23-V35 VanDerWaalsContact CD1-CG1 3.46Å; L23-I42 PolarHBondContact N-O 3.11Å; L23-V50 HydrophobicContact CD2-CG1 4.46Å; L23-V50 HydrophobicContact CD2-CG2 3.69Å; L23-I62 HydrophobicContact CB-CD1 4.47Å; L23-I62 HydrophobicContact CD1-CG2 3.87Å; L23-V64 HydrophobicContact CD1-CG2 3.88Å
24C83.6Confident83.5Confident19 Ų1961.8 Ų61.813%0.12836%0.358CS..EExtended strand (participates in β ladder)trans-153.4164.5-171.8-161.80000112.1D28 C29 I42 I62C24-D28 VanDerWaalsContact SG-CB 3.6Å; C24-C29 HydrophobicContact CB-CB 3.66Å; C24-C29 WeakPolarHBondContact CB-SG 3.24Å; C24-C29 WeakPolarHBondContact SG-CB 3.42Å; C24-C29 CovalentContact SG-SG 2.06Å; C24-C29 PolarHBondContact SG-SG 2.86Å; C24-I42 PolarHBondContact O-N 3.46Å; C24-I62 HydrophobicContact CB-CD1 3.45Å; C24-I62 VanDerWaalsContact CB-CD1 3.45Å
25S87Confident84.9Confident44 Ų4458.1 Ų58.131%0.30834%0.339SS..EExtended strand (participates in β ladder)trans-85.1152.4169.7-1690000110.3G27 D28 C29S25-G27 PolarHBondContact O-N 2.65Å; S25-D28 PolarHBondContact O-N 3.33Å; S25-D28 VanDerWaalsContact O-N 3.14Å; S25-C29 PolarHBondContact O-N 2.9Å
26V80.4Confident85.4Confident55 Ų5555.9 Ų55.933%0.33333%0.331SS..THydrogen-bonded Turntrans-65.8-18.8-177.3172.90000112.8Q37 G40 I42V26-Q37 HydrophobicContact CG2-CG 3.68Å; V26-G40 VanDerWaalsContact CG2-C 3.4Å; V26-G40 WeakPolarHBondContact CG2-O 3.27Å; V26-G40 PolarHBondContact N-O 3.36Å; V26-I42 HydrophobicContact CG2-CG1 4.3Å
27G78.3Confident85.8Confident53 Ų5355.7 Ų55.755%0.54633%0.327SS..THydrogen-bonded Turntrans-81.1-18.8175.500000115S25 L59S25-G27 PolarHBondContact O-N 2.65Å; G27-L59 WeakPolarHBondContact O-CD2 3.46Å
28D82.2Confident86Confident98 Ų9862.5 Ų62.552%0.52435%0.353SS..THydrogen-bonded Turntrans-108.6-13.5-170.2-58.3-39.6000112.9C24 S25 P60C24-D28 VanDerWaalsContact SG-CB 3.6Å; S25-D28 PolarHBondContact O-N 3.33Å; S25-D28 VanDerWaalsContact O-N 3.14Å; D28-P60 VanDerWaalsContact O-CD 3.3Å; D28-P60 WeakPolarHBondContact O-CD 3.48Å; D28-P60 WeakPolarHBondContact O-CG 3.01Å
29C79.6Confident85.7Confident3 Ų365.6 Ų65.62%0.0236%0.361CS..  trans-153.6144.8-170.1-58.30000112.4C24 S25 I42 P60 I62C24-C29 HydrophobicContact CB-CB 3.66Å; C24-C29 WeakPolarHBondContact CB-SG 3.24Å; C24-C29 WeakPolarHBondContact SG-CB 3.42Å; C24-C29 CovalentContact SG-SG 2.06Å; C24-C29 PolarHBondContact SG-SG 2.86Å; S25-C29 PolarHBondContact O-N 2.9Å; C29-I42 HydrophobicContact CB-CD1 4.18Å; C29-I42 WeakPolarHBondContact O-CD1 3.42Å; C29-P60 CarbonylContact C-O 3.59Å; C29-P60 VanDerWaalsContact CA-O 3.31Å; C29-P60 WeakPolarHBondContact CA-O 3.35Å; C29-I62 HydrophobicContact CB-CD1 3.74Å; C29-I62 HydrophobicContact CB-CG1 4.07Å; C29-I62 WeakPolarHBondContact SG-CD1 3.23Å
30N84.6Confident85.5Confident66 Ų6663.7 Ų63.735%0.35336%0.356SS..EExtended strand (participates in β ladder)trans-91.7151.5172.3-78.3-30.8000112L59 P60 V61 I62N30-L59 PolarHBondContact ND2-O 3.14Å; N30-P60 PolarHBondContact N-O 2.96Å; N30-V61 HydrophobicContact CB-CG2 3.94Å; N30-I62 PolarHBondContact O-N 2.88Å
31Q84.3Confident85.6Confident99 Ų9966.2 Ų66.246%0.46335%0.353SS..EExtended strand (participates in β ladder)trans-83.1119.1-176.9-167-175.2-11.600111.4V35 Y36Q31-V35 HydrophobicContact CB-CG2 4.46Å; Q31-V35 HydrophobicContact CG-CG2 3.54Å; Q31-V35 PolarHBondContact NE2-O 2.83Å; Q31-Y36 VanDerWaalsContact NE2-CA 3.34Å
32G85.3Confident85.6Confident21 Ų2164 Ų6422%0.21634%0.343CS..  trans-103.2-164.8173.200000113.8V35 I62G32-V35 WeakPolarHBondContact O-CG2 3.43Å; G32-I62 VanDerWaalsContact CA-O 3.23Å; G32-I62 WeakPolarHBondContact CA-O 3.11Å; G32-I62 PolarHBondContact N-O 3.01Å
33T84.8Confident85.7Confident115 Ų11561.5 Ų61.571%0.70633%0.331SS*.THydrogen-bonded Turntrans-67.1140176-44.50000111.3S63 V64T33-S63 CarbonylContact O-C 3.51Å; T33-S63 VanDerWaalsContact O-CA 3.3Å; T33-S63 WeakPolarHBondContact O-CA 3.4Å; T33-V64 PolarHBondContact O-N 2.93Å
34G85.7Confident85.9Confident11 Ų1160.2 Ų60.211%0.11332%0.324CS..THydrogen-bonded Turntrans81.112.3174.900000115.4S45G34-S45 PolarHBondContact O-N 2.87Å; G34-S45 PolarHBondContact O-OG 2.82Å
35V90.3Very high86.1Confident9 Ų962 Ų626%0.05534%0.337CS..EExtended strand (participates in β ladder)trans-129.7153.3175.1-650000111.1L23 Q31 G32 I42 Y43 I62 V64L23-V35 HydrophobicContact CD1-CG1 3.46Å; L23-V35 VanDerWaalsContact CD1-CG1 3.46Å; Q31-V35 HydrophobicContact CB-CG2 4.46Å; Q31-V35 HydrophobicContact CG-CG2 3.54Å; Q31-V35 PolarHBondContact NE2-O 2.83Å; G32-V35 WeakPolarHBondContact O-CG2 3.43Å; V35-I42 HydrophobicContact CB-CG2 3.75Å; V35-I42 HydrophobicContact CG1-CG2 4.26Å; V35-I42 HydrophobicContact CG2-CG2 4.05Å; V35-Y43 CarbonylContact C-O 3.55Å; V35-Y43 VanDerWaalsContact CA-O 3.27Å; V35-Y43 WeakPolarHBondContact CA-O 3.3Å; V35-Y43 WeakPolarHBondContact CB-O 3.35Å; V35-I62 HydrophobicContact CG1-CG2 4.29Å; V35-I62 WeakPolarHBondContact CG2-O 3.3Å; V35-V64 HydrophobicContact CG1-CB 4.36Å; V35-V64 HydrophobicContact CG1-CG2 3.63Å
36Y89.1Confident86Confident84 Ų8462.3 Ų62.333%0.32934%0.335SS..EExtended strand (participates in β ladder)trans-131.3147.8175.271.9-83.1000111.6Q31 R38 Y43 S44Q31-Y36 VanDerWaalsContact NE2-CA 3.34Å; Y36-R38 HydrophobicContact CD2-CB 4.21Å; Y36-R38 HydrophobicContact CE2-CB 3.96Å; Y36-Y43 HydrophobicContact CE2-CD2 4.12Å; Y36-Y43 HydrophobicContact CE2-CG 4.27Å; Y36-Y43 VanDerWaalsContact CZ-CB 3.44Å; Y36-Y43 PolarHBondContact N-O 2.83Å; Y36-Y43 PolarHBondContact O-N 2.86Å; Y36-S44 WeakPolarHBondContact CE1-O 3.11Å
37Q90.3Very high86.2Confident105 Ų10562 Ų6249%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-93.2133.4176.5-173.1-175.10.600110.6V26 Y41V26-Q37 HydrophobicContact CG2-CG 3.68Å; Q37-Y41 CarbonylContact C-O 3.54Å; Q37-Y41 WeakPolarHBondContact CA-O 3.42Å
38R89.5Confident86.6Confident145 Ų14559.7 Ų59.755%0.54732%0.315SS..EExtended strand (participates in β ladder)trans-146.1129.6172.4-165.5-177.2173.3168.90.6110.5Y36 G40 Y41 Y43Y36-R38 HydrophobicContact CD2-CB 4.21Å; Y36-R38 HydrophobicContact CE2-CB 3.96Å; R38-G40 VanDerWaalsContact C-N 3.32Å; R38-G40 PolarHBondContact O-N 3.07Å; R38-Y41 PolarHBondContact N-O 3.35Å; R38-Y41 PolarHBondContact O-N 3.2Å; R38-Y41 VanDerWaalsContact O-O 3.13Å; R38-Y43 HydrophobicContact CB-CD2 3.91Å; R38-Y43 HydrophobicContact CB-CE2 3.86Å; R38-Y43 WeakPolarHBondContact O-CE2 3.1Å
39H84.6Confident86.7Confident151 Ų15158 Ų5870%0.69930%0.301SS*.THydrogen-bonded Turntrans49.244.4177.5-56.4-62.8000114.7Y41H39-Y41 VanDerWaalsContact C-N 3.27Å; H39-Y41 VanDerWaalsContact O-CD2 3.3Å; H39-Y41 WeakPolarHBondContact O-CD2 3.19Å; H39-Y41 PolarHBondContact O-N 3.23Å
40G84.9Confident87Confident38 Ų3859.2 Ų59.239%0.39231%0.308SS..THydrogen-bonded Turntrans78.74.8177.700000115.4V26 R38V26-G40 VanDerWaalsContact CG2-C 3.4Å; V26-G40 WeakPolarHBondContact CG2-O 3.27Å; V26-G40 PolarHBondContact N-O 3.36Å; R38-G40 VanDerWaalsContact C-N 3.32Å; R38-G40 PolarHBondContact O-N 3.07Å
41Y89.4Confident86.8Confident94 Ų9458.7 Ų58.737%0.36931%0.305SS..EExtended strand (participates in β ladder)trans-124.3151.2176.7-63.2-73.8000111.6K22 Q37 R38 H39K22-Y41 HydrophobicContact CD-CD1 4.34Å; Q37-Y41 CarbonylContact C-O 3.54Å; Q37-Y41 WeakPolarHBondContact CA-O 3.42Å; R38-Y41 PolarHBondContact N-O 3.35Å; R38-Y41 PolarHBondContact O-N 3.2Å; R38-Y41 VanDerWaalsContact O-O 3.13Å; H39-Y41 VanDerWaalsContact C-N 3.27Å; H39-Y41 VanDerWaalsContact O-CD2 3.3Å; H39-Y41 WeakPolarHBondContact O-CD2 3.19Å; H39-Y41 PolarHBondContact O-N 3.23Å
42I90.1Very high86.6Confident3 Ų360.3 Ų60.32%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-97.6127.4175.3-59.8173.7000108.6L23 C24 V26 C29 V35L23-I42 PolarHBondContact N-O 3.11Å; C24-I42 PolarHBondContact O-N 3.46Å; V26-I42 HydrophobicContact CG2-CG1 4.3Å; C29-I42 HydrophobicContact CB-CD1 4.18Å; C29-I42 WeakPolarHBondContact O-CD1 3.42Å; V35-I42 HydrophobicContact CB-CG2 3.75Å; V35-I42 HydrophobicContact CG1-CG2 4.26Å; V35-I42 HydrophobicContact CG2-CG2 4.05Å
43Y90.3Very high86.3Confident51 Ų5165.5 Ų65.520%0.232%0.323CS..EExtended strand (participates in β ladder)trans-116.7151.8178.7-64.1-88.8000110.7G20 E21 K22 V35 Y36 R38G20-Y43 WeakPolarHBondContact O-CD1 3.4Å; E21-Y43 CarbonylContact O-C 3.6Å; E21-Y43 VanDerWaalsContact O-CA 3.29Å; E21-Y43 WeakPolarHBondContact O-CA 3.3Å; K22-Y43 HydrophobicContact CB-CD1 4.17Å; K22-Y43 HydrophobicContact CB-CE1 3.93Å; K22-Y43 HydrophobicContact CG-CE1 4.37Å; V35-Y43 CarbonylContact C-O 3.55Å; V35-Y43 VanDerWaalsContact CA-O 3.27Å; V35-Y43 WeakPolarHBondContact CA-O 3.3Å; V35-Y43 WeakPolarHBondContact CB-O 3.35Å; Y36-Y43 HydrophobicContact CE2-CD2 4.12Å; Y36-Y43 HydrophobicContact CE2-CG 4.27Å; Y36-Y43 VanDerWaalsContact CZ-CB 3.44Å; Y36-Y43 PolarHBondContact N-O 2.83Å; Y36-Y43 PolarHBondContact O-N 2.86Å; R38-Y43 HydrophobicContact CB-CD2 3.91Å; R38-Y43 HydrophobicContact CB-CE2 3.86Å; R38-Y43 WeakPolarHBondContact O-CE2 3.1Å
44S89.6Confident86Confident0 Ų065.6 Ų65.60%032%0.319CS..EExtended strand (participates in β ladder)trans-73.6131.4171.5-169.30000111.4C17 V18 P19 G20 E21 Y36 L46C17-S44 PolarHBondContact SG-OG 2.94Å; V18-S44 WeakPolarHBondContact O-CB 3.29Å; P19-S44 CarbonylContact C-O 3.48Å; P19-S44 WeakPolarHBondContact CA-O 3.46Å; G20-S44 PolarHBondContact N-O 3.29Å; E21-S44 PolarHBondContact O-N 2.76Å; Y36-S44 WeakPolarHBondContact CE1-O 3.11Å; S44-L46 PolarHBondContact OG-N 2.99Å; S44-L46 PolarHBondContact OG-O 2.78Å
45S87.3Confident85.1Confident56 Ų5671.8 Ų71.839%0.39235%0.345SS..SBendtrans-92.4-15.6167.356.20000112.8G34G34-S45 PolarHBondContact O-N 2.87Å; G34-S45 PolarHBondContact O-OG 2.82Å
46L85.1Confident84Confident52 Ų5274.7 Ų74.727%0.27238%0.377SS..SBendtrans-120.9149.2-174.8-62.3177.2000111.5S44 V64S44-L46 PolarHBondContact OG-N 2.99Å; S44-L46 PolarHBondContact OG-O 2.78Å; L46-V64 HydrophobicContact CB-CG1 4.04Å
47A86.2Confident82.6Confident47 Ų4780.8 Ų80.839%0.38841%0.408SS..SBendtrans-78.7125.4162.500000107.6C17 P19 R66C17-A47 WeakPolarHBondContact O-CA 3.45Å; P19-A47 HydrophobicContact CG-CB 4.28Å; A47-R66 VanDerWaalsContact O-CG 3.24Å; A47-R66 WeakPolarHBondContact O-CG 3.31Å
48G86Confident81.6Confident6 Ų682.5 Ų82.56%0.06242%0.416CS..EExtended strand (participates in β ladder)trans171.8-162.1-177.400000113.6L16 C17 V65L16-G48 CarbonylContact C-O 3.58Å; L16-G48 WeakPolarHBondContact CA-O 3.14Å; C17-G48 PolarHBondContact N-O 2.87Å; C17-G48 PolarHBondContact O-N 3.37Å; C17-G48 VanDerWaalsContact O-N 3.09Å; C17-G48 PolarHBondContact SG-O 2.95Å; G48-V65 WeakPolarHBondContact CA-O 3.41Å
49Y84.2Confident80.9Confident61 Ų6179.3 Ų79.324%0.23941%0.41CS..EExtended strand (participates in β ladder)trans-97.3133.6178.5-63.6-76.9000110.6L14 L16 M51 V64 V65 E67L14-Y49 HydrophobicContact CB-CD1 3.8Å; L14-Y49 HydrophobicContact CB-CE1 4.12Å; L14-Y49 HydrophobicContact CD2-CD1 3.76Å; L14-Y49 HydrophobicContact CD2-CE1 4.48Å; L14-Y49 HydrophobicContact CD2-CG 3.85Å; L14-Y49 HydrophobicContact CG-CD1 4.32Å; L16-Y49 HydrophobicContact CD1-CD1 4.02Å; L16-Y49 HydrophobicContact CD1-CE1 3.69Å; L16-Y49 HydrophobicContact CD1-CE2 4.36Å; Y49-M51 PolarHBondContact O-N 2.97Å; Y49-V64 WeakPolarHBondContact O-CA 3.1Å; Y49-V65 PolarHBondContact N-O 2.87Å; Y49-V65 PolarHBondContact O-N 2.84Å; Y49-E67 HydrophobicContact CD2-CB 4.33Å; Y49-E67 HydrophobicContact CD2-CG 4.5Å; Y49-E67 HydrophobicContact CE2-CB 3.8Å; Y49-E67 HydrophobicContact CE2-CG 3.79Å
50V85Confident80.8Confident29 Ų2973 Ų7318%0.17638%0.382CS..EExtended strand (participates in β ladder)trans-78113.7174.5-175.60000108.8R15 C17 L23 I62 V64R15-V50 HydrophobicContact CB-CB 4.47Å; R15-V50 WeakPolarHBondContact O-CG2 3.32Å; R15-V50 PolarHBondContact O-N 3.05Å; C17-V50 HydrophobicContact CB-CG2 3.75Å; L23-V50 HydrophobicContact CD2-CG1 4.46Å; L23-V50 HydrophobicContact CD2-CG2 3.69Å; V50-I62 HydrophobicContact CG1-CG2 3.81Å; V50-V64 HydrophobicContact CG2-CG2 4.26Å
51M80.5Confident80.8Confident56 Ų5673.4 Ų73.428%0.27638%0.377SS..EExtended strand (participates in β ladder)trans-104111.7173.6-65.4-64.2-71.300108.6M11 L14 Y49 S63 V65M11-M51 HydrophobicContact CE-CE 4.04Å; M11-M51 HydrophobicContact CE-SD 3.72Å; M11-M51 HydrophobicContact SD-CE 3.79Å; M11-M51 HydrophobicContact SD-SD 4.21Å; L14-M51 HydrophobicContact CD2-SD 4.45Å; Y49-M51 PolarHBondContact O-N 2.97Å; M51-S63 PolarHBondContact N-O 3.42Å; M51-S63 PolarHBondContact O-N 2.06Å; M51-S63 PolarHBondContact O-OG 3.46Å; M51-S63 VanDerWaalsContact O-OG 3.14Å; M51-V65 HydrophobicContact CG-CG2 4.16Å
52R81Confident80.7Confident133 Ų13369.3 Ų69.350%0.50236%0.361SS..EExtended strand (participates in β ladder)trans-97.7113.7173.3-163.2178.8-165.5-178.93.3108.4P60 V61 I62R52-P60 HydrophobicContact CG-CB 3.9Å; R52-P60 VanDerWaalsContact NE-CG 3.34Å; R52-V61 WeakPolarHBondContact CA-O 3.37Å; R52-I62 HydrophobicContact CG-CG1 4.25Å
53K79.4Confident80.4Confident130 Ų13069.9 Ų69.957%0.56537%0.366SS*.EExtended strand (participates in β ladder)trans-98.9119.9172.7-72.1-174.2178.7-177.10108.6V61K53-V61 PolarHBondContact N-O 3.14Å; K53-V61 PolarHBondContact O-N 3.14Å
54N77.8Confident80.1Confident116 Ų11667.6 Ų67.662%0.6236%0.357SS*.  trans-99.5100.6174.1-64.42.5000107.7G56 P60N54-G56 PolarHBondContact O-N 3.19Å; N54-P60 WeakPolarHBondContact OD1-CB 3.44Å
55E66.1Low79.7Confident141 Ų14170.5 Ų70.566%0.65938%0.375SS*.  trans-92.987.2170.4-75.3-178.9174.600108.4E58E55-E58 PolarHBondContact O-N 2.84Å
56G67.3Low79.3Confident70 Ų7074.2 Ų74.272%0.72238%0.38SS*.THydrogen-bonded Turntrans58-145.8169.900000116.1N54 E58N54-G56 PolarHBondContact O-N 3.19Å; G56-E58 PolarHBondContact O-N 2.64Å
57E60Low78.4Confident212 Ų21279 Ų7999%0.99140%0.401SS*.THydrogen-bonded Turntrans-62.5-1.7-177.3-71.6-172.815300114.6
58E70.1Confident77.2Confident141 Ų14182 Ų8266%0.65942%0.415SS*.SBendtrans-91.9158.8178.5-66-168.517000113.2E55 G56E55-E58 PolarHBondContact O-N 2.84Å; G56-E58 PolarHBondContact O-N 2.64Å
59L75.1Confident75.8Confident78 Ų7887.8 Ų87.841%0.40844%0.44SS..PPolyproline II helixtrans-59.7134.5178.7-68.1170.4000110.6G27 N30 V61G27-L59 WeakPolarHBondContact O-CD2 3.46Å; N30-L59 PolarHBondContact ND2-O 3.14Å; L59-V61 PolarHBondContact O-N 2.91Å
60P82.2Confident74.4Confident18 Ų1888.4 Ų88.412%0.11746%0.458CS..PPolyproline II helixtrans-65.3133.1-174.926.8-35.8000111.9D28 C29 N30 R52 N54D28-P60 VanDerWaalsContact O-CD 3.3Å; D28-P60 WeakPolarHBondContact O-CD 3.48Å; D28-P60 WeakPolarHBondContact O-CG 3.01Å; C29-P60 CarbonylContact C-O 3.59Å; C29-P60 VanDerWaalsContact CA-O 3.31Å; C29-P60 WeakPolarHBondContact CA-O 3.35Å; N30-P60 PolarHBondContact N-O 2.96Å; R52-P60 HydrophobicContact CG-CB 3.9Å; R52-P60 VanDerWaalsContact NE-CG 3.34Å; N54-P60 WeakPolarHBondContact OD1-CB 3.44Å
61V85.3Confident73.2Confident47 Ų4793.7 Ų93.729%0.28549%0.485SS..EExtended strand (participates in β ladder)trans-85.1122.4179.6-177.30000109.2N30 R52 K53 L59N30-V61 HydrophobicContact CB-CG2 3.94Å; R52-V61 WeakPolarHBondContact CA-O 3.37Å; K53-V61 PolarHBondContact N-O 3.14Å; K53-V61 PolarHBondContact O-N 3.14Å; L59-V61 PolarHBondContact O-N 2.91Å
62I85.7Confident72.6Confident8 Ų895 Ų954%0.04149%0.492CS..EExtended strand (participates in β ladder)trans-97.4121.1175-63.7-179.9000109.3L23 C24 C29 N30 G32 V35 V50 R52L23-I62 HydrophobicContact CB-CD1 4.47Å; L23-I62 HydrophobicContact CD1-CG2 3.87Å; C24-I62 HydrophobicContact CB-CD1 3.45Å; C24-I62 VanDerWaalsContact CB-CD1 3.45Å; C29-I62 HydrophobicContact CB-CD1 3.74Å; C29-I62 HydrophobicContact CB-CG1 4.07Å; C29-I62 WeakPolarHBondContact SG-CD1 3.23Å; N30-I62 PolarHBondContact O-N 2.88Å; G32-I62 VanDerWaalsContact CA-O 3.23Å; G32-I62 WeakPolarHBondContact CA-O 3.11Å; G32-I62 PolarHBondContact N-O 3.01Å; V35-I62 HydrophobicContact CG1-CG2 4.29Å; V35-I62 WeakPolarHBondContact CG2-O 3.3Å; V50-I62 HydrophobicContact CG1-CG2 3.81Å; R52-I62 HydrophobicContact CG-CG1 4.25Å
63S84.4Confident72.4Confident16 Ų1693.5 Ų93.511%0.11249%0.494CS..EExtended strand (participates in β ladder)trans-121.8146.9171.455.70000110.1T33 M51T33-S63 CarbonylContact O-C 3.51Å; T33-S63 VanDerWaalsContact O-CA 3.3Å; T33-S63 WeakPolarHBondContact O-CA 3.4Å; M51-S63 PolarHBondContact N-O 3.42Å; M51-S63 PolarHBondContact O-N 2.06Å; M51-S63 PolarHBondContact O-OG 3.46Å; M51-S63 VanDerWaalsContact O-OG 3.14Å
64V84.8Confident72.5Confident2 Ų287.3 Ų87.31%0.01247%0.467CS..EExtended strand (participates in β ladder)trans-112.9116.3172.8176.30000107.6C17 L23 T33 V35 L46 Y49 V50C17-V64 WeakPolarHBondContact SG-CG1 3.47Å; L23-V64 HydrophobicContact CD1-CG2 3.88Å; T33-V64 PolarHBondContact O-N 2.93Å; V35-V64 HydrophobicContact CG1-CB 4.36Å; V35-V64 HydrophobicContact CG1-CG2 3.63Å; L46-V64 HydrophobicContact CB-CG1 4.04Å; Y49-V64 WeakPolarHBondContact O-CA 3.1Å; V50-V64 HydrophobicContact CG2-CG2 4.26Å
65V81Confident72.8Confident62 Ų6287.4 Ų87.438%0.37647%0.467SS..EExtended strand (participates in β ladder)trans-113.6135.9-177.2-168.70000108.3G48 Y49 M51G48-V65 WeakPolarHBondContact CA-O 3.41Å; Y49-V65 PolarHBondContact N-O 2.87Å; Y49-V65 PolarHBondContact O-N 2.84Å; M51-V65 HydrophobicContact CG-CG2 4.16Å
66R78.9Confident74Confident134 Ų13485.2 Ų85.251%0.50646%0.463SS..  trans-73.5147.5170.3-76.5177.6178.2-175.83.2109A47 T68A47-R66 VanDerWaalsContact O-CG 3.24Å; A47-R66 WeakPolarHBondContact O-CG 3.31Å; R66-T68 PolarHBondContact O-N 3.49Å; R66-T68 VanDerWaalsContact O-N 3.11Å
67E65.6Low75Confident152 Ų15283.6 Ų83.671%0.7145%0.446SS*.SBendtrans-60.7-19.4171.4-148.2174.5-177.600112.4Y49 E69Y49-E67 HydrophobicContact CD2-CB 4.33Å; Y49-E67 HydrophobicContact CD2-CG 4.5Å; Y49-E67 HydrophobicContact CE2-CB 3.8Å; Y49-E67 HydrophobicContact CE2-CG 3.79Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 2.71Å
68T60.7Low76.5Confident109 Ų10974.7 Ų74.767%0.66941%0.409SS*.SBendtrans-63.599.9168.4-38.90000108R66R66-T68 PolarHBondContact O-N 3.49Å; R66-T68 VanDerWaalsContact O-N 3.11Å
69E56.4Low77.5Confident128 Ų12871.8 Ų71.860%0.59840%0.398SS*.  trans-23.5132.7-179.8-73.4162.8174.800112.9E67 L71 K105E67-E69 VanDerWaalsContact C-N 3.33Å; E67-E69 PolarHBondContact O-N 2.71Å; E69-L71 PolarHBondContact O-N 2.94Å; E69-L71 VanDerWaalsContact O-N 3.14Å; E69-K105 IonicContact OE1-NZ 2.67Å; E69-K105 WeakPolarHBondContact OE2-CE 3.49Å; E69-K105 IonicContact OE2-NZ 2.69Å; E69-K105 PolarHBondContact OE2-NZ 2.81Å
70A55.3Low78.3Confident75 Ų7568.1 Ų68.162%0.6238%0.378SS*.  trans-38123.7175.400000109.8L72A70-L72 PolarHBondContact O-N 3.02Å
71L60Low78.8Confident139 Ų13968.8 Ų68.873%0.72838%0.382SS*.  trans-60.289.3172.3-66.5167.6000106.9E69 L73E69-L71 PolarHBondContact O-N 2.94Å; E69-L71 VanDerWaalsContact O-N 3.14Å; L71-L73 PolarHBondContact O-N 3.17Å
72L67.6Low79.1Confident84 Ų8466.6 Ų66.644%0.4437%0.369SS..  trans-67.9109.8174.4-75.5171.5000106A70 T102 L104A70-L72 PolarHBondContact O-N 3.02Å; L72-T102 HydrophobicContact CD1-CG2 3.31Å; L72-L104 HydrophobicContact CB-CD2 4.13Å; L72-L104 WeakPolarHBondContact O-CD2 3.27Å
73L76.6Confident79.6Confident102 Ų10271.1 Ų71.153%0.53439%0.388SS..PPolyproline II helixtrans-91.2135.9173.4-64.1175.9000107.3L71 D75 F108L71-L73 PolarHBondContact O-N 3.17Å; L73-D75 PolarHBondContact O-N 3.06Å; L73-D75 VanDerWaalsContact O-N 3.15Å; L73-F108 HydrophobicContact CD2-CE1 4.26Å; L73-F108 HydrophobicContact CD2-CZ 4.06Å
74P81.8Confident80Confident0 Ų070.4 Ų70.40%038%0.383CS..PPolyproline II helixtrans-62.1116.4171.5-11.321.2000109.4V80 I96 V99 V141 L144 Y151P74-V80 HydrophobicContact CB-CG1 4.35Å; P74-I96 HydrophobicContact CG-CD1 4.35Å; P74-V99 HydrophobicContact CB-CG2 3.81Å; P74-V99 HydrophobicContact CG-CG2 3.85Å; P74-V141 HydrophobicContact CB-CG2 4.05Å; P74-L144 VanDerWaalsContact O-CD2 3.24Å; P74-L144 WeakPolarHBondContact O-CD2 3.36Å; P74-Y151 HydrophobicContact CB-CD1 4.17Å; P74-Y151 HydrophobicContact CB-CE1 3.73Å; P74-Y151 HydrophobicContact CG-CD1 4.19Å; P74-Y151 HydrophobicContact CG-CE1 3.55Å
75D85.1Confident80.4Confident118 Ų11873.9 Ų73.963%0.63141%0.405SS*.PPolyproline II helixtrans-77.7157.5173.3-75.1-42.5000111.8L73 G77 A78 V141L73-D75 PolarHBondContact O-N 3.06Å; L73-D75 VanDerWaalsContact O-N 3.15Å; D75-G77 PolarHBondContact O-N 3.31Å; D75-A78 VanDerWaalsContact O-CB 3.27Å; D75-A78 WeakPolarHBondContact O-CB 2.96Å; D75-A78 PolarHBondContact O-N 3.32Å; D75-A78 VanDerWaalsContact O-N 3.15Å; D75-V141 WeakPolarHBondContact O-CB 3.41Å
76V89.6Confident81Confident94 Ų9472.1 Ų72.157%0.5740%0.398SS*.THydrogen-bonded Turntrans-62.5130.4173.11760000109.5A78 I142 L144V76-A78 VanDerWaalsContact C-N 3.34Å; V76-I142 WeakPolarHBondContact CG1-O 3.4Å; V76-L144 HydrophobicContact CG2-CG 4.34Å
77G89.8Confident81.6Confident36 Ų3667.8 Ų67.837%0.37139%0.385SS..THydrogen-bonded Turntrans88.6-8.2-177.200000114.7D75 K140 V141D75-G77 PolarHBondContact O-N 3.31Å; G77-K140 WeakPolarHBondContact O-CE 3.33Å; G77-V141 WeakPolarHBondContact CA-O 3.4Å; G77-V141 PolarHBondContact N-O 3.44Å
78A89.9Confident82.9Confident25 Ų2563.9 Ų63.921%0.20737%0.369CS..  trans-69.4142.8176.500000111.7D75 V76 V99 K140 V141D75-A78 VanDerWaalsContact O-CB 3.27Å; D75-A78 WeakPolarHBondContact O-CB 2.96Å; D75-A78 PolarHBondContact O-N 3.32Å; D75-A78 VanDerWaalsContact O-N 3.15Å; V76-A78 VanDerWaalsContact C-N 3.34Å; A78-V99 HydrophobicContact CB-CG1 4.24Å; A78-K140 WeakPolarHBondContact O-CA 3.43Å; A78-V141 PolarHBondContact O-N 3.06Å
79I91.1Very high84.2Confident81 Ų8162 Ų6242%0.41536%0.36SS..EExtended strand (participates in β ladder)trans-82.7128.8171-58.9173.5000108.3G100 L138 L160I79-G100 PolarHBondContact O-N 3.43Å; I79-L138 HydrophobicContact CG2-CD2 4.23Å; I79-L160 HydrophobicContact CG2-CD2 4.08Å
80V92.2Very high85.8Confident0 Ų065.2 Ų65.20%037%0.367CS..EExtended strand (participates in β ladder)trans-125.9140.9-176.5-62.20000110.9P74 I96 Y98 V99 A139 V141 L153P74-V80 HydrophobicContact CB-CG1 4.35Å; V80-I96 HydrophobicContact CB-CG2 3.89Å; V80-I96 HydrophobicContact CG1-CG2 4.22Å; V80-I96 HydrophobicContact CG2-CD1 4.47Å; V80-I96 HydrophobicContact CG2-CG1 4.49Å; V80-I96 HydrophobicContact CG2-CG2 4.45Å; V80-Y98 CarbonylContact C-O 3.45Å; V80-Y98 VanDerWaalsContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CB-O 3.37Å; V80-V99 HydrophobicContact CG1-CB 4.41Å; V80-V99 HydrophobicContact CG1-CG2 3.82Å; V80-A139 HydrophobicContact CG2-CB 4.49Å; V80-A139 WeakPolarHBondContact CG2-O 3.22Å; V80-A139 PolarHBondContact N-O 3.2Å; V80-A139 PolarHBondContact O-N 3.02Å; V80-V141 HydrophobicContact CG1-CG2 3.72Å; V80-V141 HydrophobicContact CG2-CG2 4.12Å; V80-L153 HydrophobicContact CG2-CD1 4.41Å; V80-L153 HydrophobicContact CG2-CD2 3.82Å
81T92.6Very high87.5Confident33 Ų3364.9 Ų64.920%0.20235%0.351CS..EExtended strand (participates in β ladder)trans-93.3123.3170.3-54.30000108.4L97 Y98 I136 L138T81-L97 PolarHBondContact O-N 3.18Å; T81-Y98 PolarHBondContact N-O 2.89Å; T81-Y98 PolarHBondContact O-N 3.14Å; T81-I136 HydrophobicContact CG2-CG2 3.41Å; T81-I136 VanDerWaalsContact CG2-CG2 3.41Å; T81-L138 HydrophobicContact CG2-CD2 4.48Å; T81-L138 VanDerWaalsContact OG1-CD2 3.28Å; T81-L138 WeakPolarHBondContact OG1-CD2 3.12Å
82C93.1Very high89Confident0 Ų058.3 Ų58.30%032%0.317CS..EExtended strand (participates in β ladder)trans-132.8151.6-177.155.50000112.1V94 H95 I96 I136 V137C82-V94 HydrophobicContact CB-CB 4.09Å; C82-V94 HydrophobicContact CB-CG2 3.95Å; C82-H95 CarbonylContact C-O 3.55Å; C82-H95 WeakPolarHBondContact CA-O 3.35Å; C82-H95 VanDerWaalsContact CB-O 3.22Å; C82-H95 WeakPolarHBondContact CB-O 3.26Å; C82-I96 HydrophobicContact CB-CG1 4.34Å; C82-I136 WeakPolarHBondContact O-CA 3.23Å; C82-V137 PolarHBondContact N-O 3.47Å; C82-V137 PolarHBondContact O-N 2.9Å; C82-V137 WeakPolarHBondContact SG-CG2 3.36Å; C82-V137 PolarHBondContact SG-O 2.81Å
83K94.4Very high90.2Very high103 Ų10359.3 Ų59.345%0.44832%0.318SS..EExtended strand (participates in β ladder)trans-104.5131.8176.5178.1173.7-176173.60109.7T85 V94 H95 L97 D135 I136K83-T85 PolarHBondContact O-N 3.15Å; K83-V94 CarbonylContact O-C 3.57Å; K83-V94 VanDerWaalsContact O-CA 3.25Å; K83-V94 WeakPolarHBondContact O-CA 3.24Å; K83-V94 WeakPolarHBondContact O-CB 3.37Å; K83-H95 PolarHBondContact N-O 3.27Å; K83-H95 PolarHBondContact O-N 3.35Å; K83-L97 HydrophobicContact CB-CD1 3.46Å; K83-L97 VanDerWaalsContact CB-CD1 3.46Å; K83-D135 CarbonylContact C-O 3.59Å; K83-D135 WeakPolarHBondContact CA-O 3.29Å; K83-I136 HydrophobicContact CB-CD1 3.81Å; K83-I136 HydrophobicContact CD-CD1 4.26Å; K83-I136 HydrophobicContact CG-CD1 3.98Å
84V94.2Very high91Very high2 Ų254.6 Ų54.61%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-73.6119.9177.6-174.70000109.5I87 V94 F131 R132 G134 D135 V137V84-I87 HydrophobicContact CG1-CG2 3.72Å; V84-V94 HydrophobicContact CB-CG1 4.49Å; V84-V94 HydrophobicContact CG2-CG1 4.1Å; V84-F131 HydrophobicContact CG2-CB 4.44Å; V84-R132 WeakPolarHBondContact CB-O 3.2Å; V84-G134 PolarHBondContact O-N 2.67Å; V84-D135 HydrophobicContact CG2-CB 4.18Å; V84-D135 PolarHBondContact N-O 2.99Å; V84-V137 HydrophobicContact CG2-CG1 3.77Å; V84-V137 HydrophobicContact CG2-CG2 4.18Å
85T93.3Very high91.6Very high75 Ų7557 Ų5746%0.4631%0.305SS..EExtended strand (participates in β ladder)trans-90.9-40.5178.8-42.20000111.1K83 K93 H95K83-T85 PolarHBondContact O-N 3.15Å; T85-K93 PolarHBondContact N-O 2.81Å; T85-H95 PolarHBondContact OG1-CD2 3.39Å; T85-H95 PolarHBondContact OG1-NE2 2.89Å
86G91.9Very high91.9Very high24 Ų2451.5 Ų51.525%0.24728%0.275CS..EExtended strand (participates in β ladder)trans-165.5150.3-176.600000111K93G86-K93 PolarHBondContact N-O 2.91Å; G86-K93 PolarHBondContact O-N 3.43Å
87I92.8Very high91.9Very high43 Ų4349.9 Ų49.922%0.22126%0.263CS..EExtended strand (participates in β ladder)trans-117.9145.8-177.259.5175.5000109.9V84 A92 I127 Y128 F131V84-I87 HydrophobicContact CG1-CG2 3.72Å; I87-A92 HydrophobicContact CG2-CB 4.23Å; I87-I127 HydrophobicContact CB-CG2 4.22Å; I87-I127 HydrophobicContact CG2-CG2 4.34Å; I87-Y128 HydrophobicContact CD1-CD1 3.41Å; I87-Y128 VanDerWaalsContact CD1-CD1 3.41Å; I87-Y128 HydrophobicContact CD1-CE1 3.62Å; I87-Y128 HydrophobicContact CD1-CG 4.27Å; I87-Y128 HydrophobicContact CG1-CD1 4.27Å; I87-Y128 HydrophobicContact CG1-CE1 4Å; I87-F131 HydrophobicContact CG2-CB 4.33Å
88N92.7Very high91.9Very high70 Ų7053.2 Ų53.237%0.37427%0.265SS..  trans-127.1163.1167.9-166.5-13.5000107.4R90 F91 I127N88-R90 PolarHBondContact O-N 2.82Å; N88-F91 CarbonylContact C-O 3.6Å; N88-F91 WeakPolarHBondContact CA-O 3.38Å; N88-F91 HydrophobicContact CB-CD2 4.37Å; N88-F91 HydrophobicContact CB-CE1 4.36Å; N88-F91 HydrophobicContact CB-CE2 4.22Å; N88-F91 HydrophobicContact CB-CZ 4.22Å; N88-F91 VanDerWaalsContact CB-O 3.27Å; N88-F91 WeakPolarHBondContact CB-O 3.39Å; N88-F91 PolarHBondContact N-O 3.36Å; N88-F91 VanDerWaalsContact O-O 3.11Å; N88-I127 WeakPolarHBondContact O-CD1 3.28Å; N88-I127 WeakPolarHBondContact O-CG2 3.49Å
89S88.6Confident91.8Very high69 Ų6953.4 Ų53.448%0.48326%0.264SS..SBendtrans-60-30.2176.8-173.80000112.6
90R88.9Confident91.5Very high197 Ų19752 Ų5274%0.74327%0.268SS*.SBendtrans-96.8-28.4-177.2-66.2-178.4178.2-103.11.2114.9N88 K114N88-R90 PolarHBondContact O-N 2.82Å; R90-K114 PolarHBondContact O-N 2.89Å
91F90.6Very high90.9Very high67 Ų6757.3 Ų57.329%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-155.7155.5-177.158.9-93.9000111.4N88 K93 T111 I112 I127N88-F91 CarbonylContact C-O 3.6Å; N88-F91 WeakPolarHBondContact CA-O 3.38Å; N88-F91 HydrophobicContact CB-CD2 4.37Å; N88-F91 HydrophobicContact CB-CE1 4.36Å; N88-F91 HydrophobicContact CB-CE2 4.22Å; N88-F91 HydrophobicContact CB-CZ 4.22Å; N88-F91 VanDerWaalsContact CB-O 3.27Å; N88-F91 WeakPolarHBondContact CB-O 3.39Å; N88-F91 PolarHBondContact N-O 3.36Å; N88-F91 VanDerWaalsContact O-O 3.11Å; F91-K93 HydrophobicContact CD2-CG 4.2Å; F91-K93 HydrophobicContact CE2-CD 4.47Å; F91-K93 HydrophobicContact CE2-CG 3.98Å; F91-T111 HydrophobicContact CB-CG2 3.74Å; F91-T111 HydrophobicContact CD2-CG2 3.97Å; F91-T111 HydrophobicContact CG-CG2 4.09Å; F91-I112 CarbonylContact C-O 3.6Å; F91-I112 WeakPolarHBondContact CA-O 3.27Å; F91-I112 WeakPolarHBondContact CB-O 3.36Å; F91-I127 VanDerWaalsContact CA-CD1 3.45Å
92A92.5Very high90.4Very high1 Ų158.7 Ų58.71%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-108.3133.6170.900000110.1I87 T111 I112 I127 F131I87-A92 HydrophobicContact CG2-CB 4.23Å; A92-T111 WeakPolarHBondContact O-CA 3.46Å; A92-I112 HydrophobicContact CB-CB 4.45Å; A92-I112 PolarHBondContact N-O 2.83Å; A92-I112 PolarHBondContact O-N 2.92Å; A92-I127 HydrophobicContact CB-CG2 4.15Å; A92-F131 HydrophobicContact CB-CD2 4.44Å
93K93Very high90Very high106 Ų10662.5 Ų62.546%0.46134%0.339SS..EExtended strand (participates in β ladder)trans-91.2129.8173.1-64-175.8-176.81800109.2T85 G86 F91T85-K93 PolarHBondContact N-O 2.81Å; G86-K93 PolarHBondContact N-O 2.91Å; G86-K93 PolarHBondContact O-N 3.43Å; F91-K93 HydrophobicContact CD2-CG 4.2Å; F91-K93 HydrophobicContact CE2-CD 4.47Å; F91-K93 HydrophobicContact CE2-CG 3.98Å
94V93.7Very high89.4Confident2 Ų258.9 Ų58.91%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-131.7157.4-179.5-52.50000111.4C82 K83 V84 G110 I112 L153C82-V94 HydrophobicContact CB-CB 4.09Å; C82-V94 HydrophobicContact CB-CG2 3.95Å; K83-V94 CarbonylContact O-C 3.57Å; K83-V94 VanDerWaalsContact O-CA 3.25Å; K83-V94 WeakPolarHBondContact O-CA 3.24Å; K83-V94 WeakPolarHBondContact O-CB 3.37Å; V84-V94 HydrophobicContact CB-CG1 4.49Å; V84-V94 HydrophobicContact CG2-CG1 4.1Å; V94-G110 PolarHBondContact N-O 3.11Å; V94-G110 PolarHBondContact O-N 3Å; V94-I112 HydrophobicContact CG1-CD1 3.92Å; V94-L153 HydrophobicContact CG2-CD1 3.4Å
95H93.1Very high88.4Confident52 Ų5266.1 Ų66.124%0.24136%0.356CS..EExtended strand (participates in β ladder)trans-110.4126.6167.5-74.2-62.2000109.8C82 K83 T85 F108C82-H95 CarbonylContact C-O 3.55Å; C82-H95 WeakPolarHBondContact CA-O 3.35Å; C82-H95 VanDerWaalsContact CB-O 3.22Å; C82-H95 WeakPolarHBondContact CB-O 3.26Å; K83-H95 PolarHBondContact N-O 3.27Å; K83-H95 PolarHBondContact O-N 3.35Å; T85-H95 PolarHBondContact OG1-CD2 3.39Å; T85-H95 PolarHBondContact OG1-NE2 2.89Å; H95-F108 CarbonylContact C-O 3.56Å; H95-F108 WeakPolarHBondContact CA-O 3.46Å
96I91.6Very high87.8Confident1 Ų167.1 Ų67.11%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-76.7131.5174.7-53.6173.8000108.3P74 V80 C82 L104 F108 Y151 L153P74-I96 HydrophobicContact CG-CD1 4.35Å; V80-I96 HydrophobicContact CB-CG2 3.89Å; V80-I96 HydrophobicContact CG1-CG2 4.22Å; V80-I96 HydrophobicContact CG2-CD1 4.47Å; V80-I96 HydrophobicContact CG2-CG1 4.49Å; V80-I96 HydrophobicContact CG2-CG2 4.45Å; C82-I96 HydrophobicContact CB-CG1 4.34Å; I96-L104 HydrophobicContact CG2-CD1 3.69Å; I96-F108 HydrophobicContact CB-CB 4.19Å; I96-F108 HydrophobicContact CD1-CB 4.14Å; I96-F108 HydrophobicContact CG1-CB 4.44Å; I96-F108 PolarHBondContact N-O 2.91Å; I96-Y151 HydrophobicContact CD1-CD1 4.39Å; I96-Y151 HydrophobicContact CD1-CD2 4.19Å; I96-Y151 HydrophobicContact CD1-CG 3.94Å; I96-L153 HydrophobicContact CD1-CD1 4.47Å; I96-L153 HydrophobicContact CD1-CD2 4.34Å; I96-L153 HydrophobicContact CG1-CD1 4.34Å
97L89.9Confident87.2Confident60 Ų6075.5 Ų75.531%0.31438%0.383SS..EExtended strand (participates in β ladder)trans-113.5-38.3179.4-69.5133.2000111.6T81 K83 L104T81-L97 PolarHBondContact O-N 3.18Å; K83-L97 HydrophobicContact CB-CD1 3.46Å; K83-L97 VanDerWaalsContact CB-CD1 3.46Å; L97-L104 PolarHBondContact O-N 3.25Å
98Y89.3Confident86.9Confident107 Ų10775.6 Ų75.642%0.4238%0.382SS..EExtended strand (participates in β ladder)trans-132.9144-178.9-60.9-103.3000110.5V80 T81 T102 P103V80-Y98 CarbonylContact C-O 3.45Å; V80-Y98 VanDerWaalsContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CA-O 3.29Å; V80-Y98 WeakPolarHBondContact CB-O 3.37Å; T81-Y98 PolarHBondContact N-O 2.89Å; T81-Y98 PolarHBondContact O-N 3.14Å; Y98-T102 WeakPolarHBondContact CA-O 3.47Å; Y98-P103 VanDerWaalsContact CD1-CA 3.49Å; Y98-P103 HydrophobicContact CD1-CB 3.84Å; Y98-P103 HydrophobicContact CE1-CB 3.54Å; Y98-P103 HydrophobicContact CE1-CG 4.27Å
99V88.7Confident86.8Confident29 Ų2979.2 Ų79.218%0.17639%0.39CS..EExtended strand (participates in β ladder)trans-111.8113.9166.31730000106.6P74 A78 V80 S101 T102 L104P74-V99 HydrophobicContact CB-CG2 3.81Å; P74-V99 HydrophobicContact CG-CG2 3.85Å; A78-V99 HydrophobicContact CB-CG1 4.24Å; V80-V99 HydrophobicContact CG1-CB 4.41Å; V80-V99 HydrophobicContact CG1-CG2 3.82Å; V99-S101 PolarHBondContact O-N 2.83Å; V99-S101 VanDerWaalsContact O-N 3.14Å; V99-T102 PolarHBondContact N-O 3.28Å; V99-T102 PolarHBondContact O-N 2.88Å; V99-L104 HydrophobicContact CB-CD1 4.4Å; V99-L104 HydrophobicContact CG2-CD1 3.41Å; V99-L104 VanDerWaalsContact CG2-CD1 3.41Å; V99-L104 HydrophobicContact CG2-CD2 4.39Å; V99-L104 HydrophobicContact CG2-CG 4.14Å
100G85Confident87Confident50 Ų5076 Ų7652%0.51537%0.368SS..THydrogen-bonded Turntrans55.5-117.2-168.500000111.3I79I79-G100 PolarHBondContact O-N 3.43Å
101S78.9Confident87.1Confident112 Ų11267.9 Ų67.978%0.78334%0.34SS*.THydrogen-bonded Turntrans-95.8-7.3178.3520000114.4V99V99-S101 PolarHBondContact O-N 2.83Å; V99-S101 VanDerWaalsContact O-N 3.14Å
102T83.1Confident87.2Confident62 Ų6264.8 Ų64.838%0.3833%0.326SS..EExtended strand (participates in β ladder)trans-99125.5-172-46.90000111.5L72 Y98 V99L72-T102 HydrophobicContact CD1-CG2 3.31Å; Y98-T102 WeakPolarHBondContact CA-O 3.47Å; V99-T102 PolarHBondContact N-O 3.28Å; V99-T102 PolarHBondContact O-N 2.88Å
103P84Confident87.2Confident80 Ų8069.8 Ų69.852%0.51935%0.345SS..EExtended strand (participates in β ladder)trans-69.2138.6175.325.8-31.9000111.7Y98Y98-P103 VanDerWaalsContact CD1-CA 3.49Å; Y98-P103 HydrophobicContact CD1-CB 3.84Å; Y98-P103 HydrophobicContact CE1-CB 3.54Å; Y98-P103 HydrophobicContact CE1-CG 4.27Å
104L81.1Confident87.1Confident28 Ų2867.5 Ų67.515%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-94.4131.6170.6-68.8157.5000109.5L72 I96 L97 V99 F108L72-L104 HydrophobicContact CB-CD2 4.13Å; L72-L104 WeakPolarHBondContact O-CD2 3.27Å; I96-L104 HydrophobicContact CG2-CD1 3.69Å; L97-L104 PolarHBondContact O-N 3.25Å; V99-L104 HydrophobicContact CB-CD1 4.4Å; V99-L104 HydrophobicContact CG2-CD1 3.41Å; V99-L104 VanDerWaalsContact CG2-CD1 3.41Å; V99-L104 HydrophobicContact CG2-CD2 4.39Å; V99-L104 HydrophobicContact CG2-CG 4.14Å; L104-F108 HydrophobicContact CD1-CD2 3.97Å; L104-F108 HydrophobicContact CD1-CE2 4.36Å; L104-F108 HydrophobicContact CD2-CD2 4.33Å; L104-F108 HydrophobicContact CD2-CE2 3.88Å; L104-F108 HydrophobicContact CG-CE2 4.5Å
105K73.2Confident86.9Confident153 Ų15371 Ų7167%0.66535%0.351SS*.EExtended strand (participates in β ladder)trans-72.8-38.9173.6-69.9-179.5-177.1165.50111.6E69E69-K105 IonicContact OE1-NZ 2.67Å; E69-K105 WeakPolarHBondContact OE2-CE 3.49Å; E69-K105 IonicContact OE2-NZ 2.69Å; E69-K105 PolarHBondContact OE2-NZ 2.81Å
106D80.3Confident86.7Confident97 Ų9769.9 Ų69.952%0.51935%0.347SS..EExtended strand (participates in β ladder)trans-86.7137178.5-71.9-44000111.8F108D106-F108 HydrophobicContact CB-CE2 3.98Å; D106-F108 HydrophobicContact CB-CZ 4.21Å; D106-F108 WeakPolarHBondContact O-CD2 3.25Å; D106-F108 PolarHBondContact O-N 2.88Å; D106-F108 VanDerWaalsContact O-N 3.17Å
107R80.3Confident86.5Confident200 Ų20069.9 Ų69.976%0.75535%0.347SS*.EExtended strand (participates in β ladder)trans-83.991.7179.4-63.9179.5-174.7172.91.3110
108F87.4Confident86.3Confident45 Ų4569.8 Ų69.820%0.19734%0.343CS..EExtended strand (participates in β ladder)trans-70.7140.2173.2-64.2-82.5000111L73 H95 I96 L104 D106 Y151L73-F108 HydrophobicContact CD2-CE1 4.26Å; L73-F108 HydrophobicContact CD2-CZ 4.06Å; H95-F108 CarbonylContact C-O 3.56Å; H95-F108 WeakPolarHBondContact CA-O 3.46Å; I96-F108 HydrophobicContact CB-CB 4.19Å; I96-F108 HydrophobicContact CD1-CB 4.14Å; I96-F108 HydrophobicContact CG1-CB 4.44Å; I96-F108 PolarHBondContact N-O 2.91Å; L104-F108 HydrophobicContact CD1-CD2 3.97Å; L104-F108 HydrophobicContact CD1-CE2 4.36Å; L104-F108 HydrophobicContact CD2-CD2 4.33Å; L104-F108 HydrophobicContact CD2-CE2 3.88Å; L104-F108 HydrophobicContact CG-CE2 4.5Å; D106-F108 HydrophobicContact CB-CE2 3.98Å; D106-F108 HydrophobicContact CB-CZ 4.21Å; D106-F108 WeakPolarHBondContact O-CD2 3.25Å; D106-F108 PolarHBondContact O-N 2.88Å; D106-F108 VanDerWaalsContact O-N 3.17Å; F108-Y151 HydrophobicContact CB-CD2 4.1Å; F108-Y151 HydrophobicContact CB-CE2 3.87Å; F108-Y151 AromaticContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CG-CE2 4.02Å
109R90Very high85.9Confident146 Ų14671.7 Ų71.755%0.55136%0.355SS*.EExtended strand (participates in β ladder)trans-92.8126.1-179.1-58.4179.985.1178.710108.9T150 Y151R109-T150 HydrophobicContact CB-CG2 4.47Å; R109-T150 WeakPolarHBondContact O-CA 3.42Å; R109-Y151 PolarHBondContact O-N 3.17Å
110G91.8Very high85.5Confident2 Ų274.5 Ų74.52%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-115.8155.5175.300000111.9V94 Y151V94-G110 PolarHBondContact N-O 3.11Å; V94-G110 PolarHBondContact O-N 3Å; G110-Y151 CarbonylContact C-O 3.46Å; G110-Y151 VanDerWaalsContact CA-O 3.28Å; G110-Y151 WeakPolarHBondContact CA-O 3.36Å
111T92.5Very high85Confident26 Ų2677.4 Ų77.416%0.1638%0.376CS..EExtended strand (participates in β ladder)trans-131.1128.9172.4-55.30000109.6F91 A92 Y151 L153F91-T111 HydrophobicContact CB-CG2 3.74Å; F91-T111 HydrophobicContact CD2-CG2 3.97Å; F91-T111 HydrophobicContact CG-CG2 4.09Å; A92-T111 WeakPolarHBondContact O-CA 3.46Å; T111-Y151 PolarHBondContact N-O 2.78Å; T111-L153 PolarHBondContact O-N 3.31Å
112I92.6Very high84.9Confident1 Ų176.5 Ų76.51%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-106.3120.6171.7-59164.9000107.2F91 A92 V94 V117 F131 V137 A139 L153 T155F91-I112 CarbonylContact C-O 3.6Å; F91-I112 WeakPolarHBondContact CA-O 3.27Å; F91-I112 WeakPolarHBondContact CB-O 3.36Å; A92-I112 HydrophobicContact CB-CB 4.45Å; A92-I112 PolarHBondContact N-O 2.83Å; A92-I112 PolarHBondContact O-N 2.92Å; V94-I112 HydrophobicContact CG1-CD1 3.92Å; I112-V117 HydrophobicContact CG2-CG2 4.11Å; I112-F131 HydrophobicContact CG2-CE2 4.4Å; I112-V137 HydrophobicContact CD1-CG2 4.19Å; I112-A139 HydrophobicContact CD1-CB 4.48Å; I112-L153 HydrophobicContact CG1-CB 3.76Å; I112-T155 HydrophobicContact CD1-CG2 4.06Å
113R91.3Very high84.5Confident107 Ų10780.7 Ų80.740%0.40438%0.378SS..EExtended strand (participates in β ladder)trans-88.3159179.3-52.3-175.1179.3-174.81.3111E115 D116 V117 L152R113-E115 HydrophobicContact CB-CG 4.1Å; R113-E115 VanDerWaalsContact CB-OE2 3.29Å; R113-E115 WeakPolarHBondContact CB-OE2 3.28Å; R113-E115 WeakPolarHBondContact CD-OE1 3.42Å; R113-E115 IonicContact NH1-OE1 3.71Å; R113-E115 PolarHBondContact O-N 2.89Å; R113-D116 PolarHBondContact O-N 3.38Å; R113-V117 WeakPolarHBondContact O-CG2 3.33Å; R113-V117 PolarHBondContact O-N 2.93Å; R113-L152 HydrophobicContact CG-CD2 4.36Å
114K90.5Very high84.4Confident57 Ų5784 Ų8425%0.24839%0.385CS..G310 helixtrans-55.3-41.8179.2175.6172.51611550111.8R90 D116 V117 K122 D123 V125 I127R90-K114 PolarHBondContact O-N 2.89Å; K114-D116 PolarHBondContact O-N 2.83Å; K114-V117 PolarHBondContact O-N 3Å; K114-K122 WeakPolarHBondContact CE-O 3.47Å; K114-D123 WeakPolarHBondContact CE-O 3.48Å; K114-D123 PolarHBondContact NZ-O 3.48Å; K114-V125 WeakPolarHBondContact CD-O 3.33Å; K114-V125 WeakPolarHBondContact CE-O 3.24Å; K114-V125 PolarHBondContact NZ-O 3.47Å; K114-I127 HydrophobicContact CB-CD1 4.06Å; K114-I127 HydrophobicContact CB-CG1 4.36Å
115E89.8Confident84.4Confident76 Ų7683 Ų8336%0.35538%0.38SS..G310 helixtrans-66-19.4179.561.1-92.2-149.800114.3R113 K122R113-E115 HydrophobicContact CB-CG 4.1Å; R113-E115 VanDerWaalsContact CB-OE2 3.29Å; R113-E115 WeakPolarHBondContact CB-OE2 3.28Å; R113-E115 WeakPolarHBondContact CD-OE1 3.42Å; R113-E115 IonicContact NH1-OE1 3.71Å; R113-E115 PolarHBondContact O-N 2.89Å; E115-K122 HydrophobicContact CB-CD 4.38Å; E115-K122 VanDerWaalsContact O-CD 3.24Å; E115-K122 WeakPolarHBondContact O-CD 3.36Å; E115-K122 WeakPolarHBondContact O-CE 3.41Å; E115-K122 PolarHBondContact O-NZ 3.15Å
116D89.4Confident85.1Confident29 Ų2979 Ų7916%0.15537%0.366CS..G310 helixtrans-103.58.3-176.6-58.8-43.1000112.3R113 K114 T154 T155 A156R113-D116 PolarHBondContact O-N 3.38Å; K114-D116 PolarHBondContact O-N 2.83Å; D116-T154 PolarHBondContact O-OG1 2.79Å; D116-T155 PolarHBondContact O-N 3.48Å; D116-T155 PolarHBondContact O-OG1 3.27Å; D116-A156 PolarHBondContact O-N 2.9Å
117V88.3Confident85.6Confident0 Ų074.5 Ų74.50%034%0.341CS..SBendtrans-82.5-38178.4-176.70000112I112 R113 K114 V125 F131 T155 K193I112-V117 HydrophobicContact CG2-CG2 4.11Å; R113-V117 WeakPolarHBondContact O-CG2 3.33Å; R113-V117 PolarHBondContact O-N 2.93Å; K114-V117 PolarHBondContact O-N 3Å; V117-V125 HydrophobicContact CB-CG1 3.88Å; V117-V125 HydrophobicContact CG1-CG1 3.68Å; V117-F131 HydrophobicContact CB-CE2 4.47Å; V117-F131 HydrophobicContact CG1-CE2 3.8Å; V117-F131 HydrophobicContact CG1-CZ 4.02Å; V117-F131 HydrophobicContact CG2-CE2 3.84Å; V117-T155 WeakPolarHBondContact CA-OG1 3.43Å; V117-T155 PolarHBondContact O-OG1 3.07Å; V117-K193 HydrophobicContact CG1-CD 3.93Å; V117-K193 VanDerWaalsContact O-CD 3.32Å; V117-K193 WeakPolarHBondContact O-CD 3.37Å; V117-K193 WeakPolarHBondContact O-CE 3.45Å; V117-K193 PolarHBondContact O-NZ 2.78Å
118R84.9Confident86.1Confident59 Ų5971.4 Ų71.422%0.22333%0.331CS..  trans-138.7145.8178.2-66.8-174.5179.4-102.2-7.1109.8S120 K122 V125R118-S120 WeakPolarHBondContact CB-O 3.44Å; R118-K122 WeakPolarHBondContact O-CG 3.47Å; R118-V125 HydrophobicContact CB-CG2 4.04Å; R118-V125 HydrophobicContact CG-CG2 3.99Å
119E81.9Confident86.1Confident146 Ų14675 Ų7568%0.68235%0.346SS*.SBendtrans-68.1-40.4172.8-170.4149.8-14500111.5A156E119-A156 HydrophobicContact CB-CB 4.29Å
120S78.7Confident86.1Confident89 Ų8968.2 Ų68.262%0.62232%0.321SS*.SBendtrans-101.6146.1178-45.40000112.8R118 K122R118-S120 WeakPolarHBondContact CB-O 3.44Å; S120-K122 PolarHBondContact O-N 2.82Å
121E74.2Confident86.1Confident110 Ų11068.1 Ų68.151%0.51432%0.32SS..  trans56.144.3175.8-57.2-166.7117.400115.8D123 K124 V125E121-D123 PolarHBondContact O-N 3.47Å; E121-K124 PolarHBondContact O-N 2.84Å; E121-K124 VanDerWaalsContact O-N 3.07Å; E121-K124 IonicContact OE1-NZ 2.78Å; E121-K124 PolarHBondContact OE1-NZ 3.48Å; E121-V125 WeakPolarHBondContact O-CG2 3.48Å
122K77.6Confident86.1Confident94 Ų9471.2 Ų71.241%0.40933%0.329SS..G310 helixtrans-48.8-35.9-178.3-65.1-178.4177.3-162.90114.7K114 E115 R118 S120 K124 V125K114-K122 WeakPolarHBondContact CE-O 3.47Å; E115-K122 HydrophobicContact CB-CD 4.38Å; E115-K122 VanDerWaalsContact O-CD 3.24Å; E115-K122 WeakPolarHBondContact O-CD 3.36Å; E115-K122 WeakPolarHBondContact O-CE 3.41Å; E115-K122 PolarHBondContact O-NZ 3.15Å; R118-K122 WeakPolarHBondContact O-CG 3.47Å; S120-K122 PolarHBondContact O-N 2.82Å; K122-K124 PolarHBondContact O-N 2.88Å; K122-V125 PolarHBondContact O-N 2.88Å
123D75.5Confident86.1Confident149 Ų14974.9 Ų74.980%0.79735%0.353SS*.G310 helixtrans-72.2-30.3-176.6-63.4-45.9000113.7K114 E121 V125K114-D123 WeakPolarHBondContact CE-O 3.48Å; K114-D123 PolarHBondContact NZ-O 3.48Å; E121-D123 PolarHBondContact O-N 3.47Å; D123-V125 VanDerWaalsContact C-N 3.34Å
124K80.4Confident86.1Confident150 Ų15071.2 Ų71.265%0.65235%0.348SS*.G310 helixtrans-87-3-178.6-65.4-178.3-171.5164.20113.4E121 K122E121-K124 PolarHBondContact O-N 2.84Å; E121-K124 VanDerWaalsContact O-N 3.07Å; E121-K124 IonicContact OE1-NZ 2.78Å; E121-K124 PolarHBondContact OE1-NZ 3.48Å; K122-K124 PolarHBondContact O-N 2.88Å
125V82.3Confident86.2Confident8 Ų868.6 Ų68.65%0.04834%0.337CS..  trans-78.4127-177.1-170.70000110.7K114 V117 R118 E121 K122 D123K114-V125 WeakPolarHBondContact CD-O 3.33Å; K114-V125 WeakPolarHBondContact CE-O 3.24Å; K114-V125 PolarHBondContact NZ-O 3.47Å; V117-V125 HydrophobicContact CB-CG1 3.88Å; V117-V125 HydrophobicContact CG1-CG1 3.68Å; R118-V125 HydrophobicContact CB-CG2 4.04Å; R118-V125 HydrophobicContact CG-CG2 3.99Å; E121-V125 WeakPolarHBondContact O-CG2 3.48Å; K122-V125 PolarHBondContact O-N 2.88Å; D123-V125 VanDerWaalsContact C-N 3.34Å
126D88.1Confident86.3Confident68 Ų6867 Ų6736%0.36433%0.331SS..  trans-102.6125.6170.1-65.2-39.9000109.8Y128 K129 S130D126-Y128 VanDerWaalsContact C-N 3.31Å; D126-Y128 PolarHBondContact O-N 2.9Å; D126-K129 HydrophobicContact CB-CB 4.17Å; D126-K129 HydrophobicContact CB-CD 4.01Å; D126-K129 HydrophobicContact CB-CG 4.01Å; D126-K129 PolarHBondContact O-N 2.93Å; D126-K129 WeakPolarHBondContact OD2-CE 3.22Å; D126-K129 IonicContact OD2-NZ 3.51Å; D126-K129 PolarHBondContact OD2-NZ 2.97Å; D126-S130 PolarHBondContact O-N 3.47Å; D126-S130 PolarHBondContact O-OG 2.69Å
127I90.3Very high86.5Confident2 Ų265.6 Ų65.61%0.0132%0.323CS..G310 helixtrans-63.7-39.9177.8-65.8-176.3000110.6I87 N88 F91 A92 K114 K129 S130 F131I87-I127 HydrophobicContact CB-CG2 4.22Å; I87-I127 HydrophobicContact CG2-CG2 4.34Å; N88-I127 WeakPolarHBondContact O-CD1 3.28Å; N88-I127 WeakPolarHBondContact O-CG2 3.49Å; F91-I127 VanDerWaalsContact CA-CD1 3.45Å; A92-I127 HydrophobicContact CB-CG2 4.15Å; K114-I127 HydrophobicContact CB-CD1 4.06Å; K114-I127 HydrophobicContact CB-CG1 4.36Å; I127-K129 PolarHBondContact O-N 3.36Å; I127-S130 PolarHBondContact O-N 3.43Å; I127-F131 HydrophobicContact CG2-CD2 4.21Å; I127-F131 PolarHBondContact O-N 3.43Å
128Y89.6Confident86.8Confident135 Ų13567.7 Ų67.753%0.52933%0.334SS..G310 helixtrans-59.3-29.4177.4-74.2-79.6000114I87 D126I87-Y128 HydrophobicContact CD1-CD1 3.41Å; I87-Y128 VanDerWaalsContact CD1-CD1 3.41Å; I87-Y128 HydrophobicContact CD1-CE1 3.62Å; I87-Y128 HydrophobicContact CD1-CG 4.27Å; I87-Y128 HydrophobicContact CG1-CD1 4.27Å; I87-Y128 HydrophobicContact CG1-CE1 4Å; D126-Y128 VanDerWaalsContact C-N 3.31Å; D126-Y128 PolarHBondContact O-N 2.9Å
129K89.3Confident87.2Confident120 Ų12064.9 Ų64.952%0.52232%0.324SS..G310 helixtrans-89-9.3176.1-63.8178.7-175.3151.20112.7D126 I127 F191 R192D126-K129 HydrophobicContact CB-CB 4.17Å; D126-K129 HydrophobicContact CB-CD 4.01Å; D126-K129 HydrophobicContact CB-CG 4.01Å; D126-K129 PolarHBondContact O-N 2.93Å; D126-K129 WeakPolarHBondContact OD2-CE 3.22Å; D126-K129 IonicContact OD2-NZ 3.51Å; D126-K129 PolarHBondContact OD2-NZ 2.97Å; I127-K129 PolarHBondContact O-N 3.36Å; K129-F191 HydrophobicContact CB-CB 4.19Å; K129-F191 CarbonylContact O-C 3.09Å; K129-R192 WeakPolarHBondContact O-CA 3.26Å; K129-R192 PolarHBondContact O-N 3.47Å
130S89.3Confident87.7Confident4 Ų461 Ų613%0.02831%0.305CS..THydrogen-bonded Turntrans-101.8-41.7-175.6-57.60000111.4D126 I127 V162 K193D126-S130 PolarHBondContact O-N 3.47Å; D126-S130 PolarHBondContact O-OG 2.69Å; I127-S130 PolarHBondContact O-N 3.43Å; S130-V162 WeakPolarHBondContact O-CG2 3.4Å; S130-K193 PolarHBondContact O-N 3.26Å
131F92.3Very high88.4Confident0 Ų056.9 Ų56.90%028%0.275CS..  trans-136.7143.5-172.8-52-66.9000111.2V84 I87 A92 I112 V117 I127 V137 T155 V162V84-F131 HydrophobicContact CG2-CB 4.44Å; I87-F131 HydrophobicContact CG2-CB 4.33Å; A92-F131 HydrophobicContact CB-CD2 4.44Å; I112-F131 HydrophobicContact CG2-CE2 4.4Å; V117-F131 HydrophobicContact CB-CE2 4.47Å; V117-F131 HydrophobicContact CG1-CE2 3.8Å; V117-F131 HydrophobicContact CG1-CZ 4.02Å; V117-F131 HydrophobicContact CG2-CE2 3.84Å; I127-F131 HydrophobicContact CG2-CD2 4.21Å; I127-F131 PolarHBondContact O-N 3.43Å; F131-V137 HydrophobicContact CD1-CG1 3.79Å; F131-V137 HydrophobicContact CE1-CG1 4.03Å; F131-T155 HydrophobicContact CZ-CG2 4.16Å; F131-V162 HydrophobicContact CD1-CG2 3.75Å; F131-V162 HydrophobicContact CE1-CG2 4.11Å
132R92.1Very high89.2Confident91 Ų9155 Ų5534%0.34327%0.269SS..  trans-118.6152.9166.6-74.1-156.5-169.5-170.9-4111.1V84 G134 D135 E168 E190 R192V84-R132 WeakPolarHBondContact CB-O 3.2Å; R132-G134 PolarHBondContact O-N 2.87Å; R132-D135 PolarHBondContact N-OD2 2.99Å; R132-D135 WeakPolarHBondContact O-CB 2.97Å; R132-D135 VanDerWaalsContact O-CG 3.24Å; R132-D135 PolarHBondContact O-N 2.81Å; R132-E168 IonicContact NH1-OE1 3.92Å; R132-E168 PolarHBondContact NH1-OE1 3.24Å; R132-E190 IonicContact CZ-OE2 3.46Å; R132-E190 VanDerWaalsContact CZ-OE2 3.27Å; R132-E190 IonicContact NE-OE2 3.43Å; R132-E190 PolarHBondContact NE-OE2 2.63Å; R132-E190 IonicContact NH1-OE2 2.64Å; R132-E190 IonicContact NH2-OE2 3.95Å; R132-R192 VanDerWaalsContact CD-NH2 3.27Å
133P92.8Very high89.6Confident78 Ų7853 Ų5351%0.50627%0.266SS..THydrogen-bonded Turntrans-60.3134.7173.527-34.6000110.3
134G91Very high90Very high30 Ų3049.8 Ų49.831%0.30925%0.249SC..THydrogen-bonded Turntrans97.7-14.3-177.100000114.8V84 R132V84-G134 PolarHBondContact O-N 2.67Å; R132-G134 PolarHBondContact O-N 2.87Å
135D92.4Very high89.4Confident3 Ų343.8 Ų43.82%0.01623%0.229CC..  trans-68.3150.9177.9-67.8-14.3000112.4K83 V84 R132 V137 V162 R192K83-D135 CarbonylContact C-O 3.59Å; K83-D135 WeakPolarHBondContact CA-O 3.29Å; V84-D135 HydrophobicContact CG2-CB 4.18Å; V84-D135 PolarHBondContact N-O 2.99Å; R132-D135 PolarHBondContact N-OD2 2.99Å; R132-D135 WeakPolarHBondContact O-CB 2.97Å; R132-D135 VanDerWaalsContact O-CG 3.24Å; R132-D135 PolarHBondContact O-N 2.81Å; D135-V137 HydrophobicContact CB-CG1 4.33Å; D135-V162 HydrophobicContact CB-CG1 4.27Å; D135-R192 IonicContact OD1-CZ 3.27Å; D135-R192 IonicContact OD1-NH1 3.43Å; D135-R192 PolarHBondContact OD1-NH1 3.14Å; D135-R192 IonicContact OD2-CZ 2.69Å; D135-R192 IonicContact OD2-NE 3.51Å; D135-R192 IonicContact OD2-NH1 3.54Å; D135-R192 PolarHBondContact OD2-NH1 3.08Å
136I92.8Very high88.5Confident42 Ų4251.6 Ų51.622%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-100.9123.7169.7-51.6-58.2000109T81 C82 K83 V163 V164T81-I136 HydrophobicContact CG2-CG2 3.41Å; T81-I136 VanDerWaalsContact CG2-CG2 3.41Å; C82-I136 WeakPolarHBondContact O-CA 3.23Å; K83-I136 HydrophobicContact CB-CD1 3.81Å; K83-I136 HydrophobicContact CD-CD1 4.26Å; K83-I136 HydrophobicContact CG-CD1 3.98Å; I136-V163 PolarHBondContact O-N 3.31Å; I136-V164 HydrophobicContact CB-CB 4Å; I136-V164 HydrophobicContact CG1-CB 4.13Å; I136-V164 PolarHBondContact N-O 2.75Å; I136-V164 PolarHBondContact O-N 3.09Å
137V93.6Very high87.1Confident0 Ų054.9 Ų54.90%029%0.293CS..EExtended strand (participates in β ladder)trans-125.8136.7-175.6-51.40000110.6C82 V84 I112 F131 D135 G161 V162C82-V137 PolarHBondContact N-O 3.47Å; C82-V137 PolarHBondContact O-N 2.9Å; C82-V137 WeakPolarHBondContact SG-CG2 3.36Å; C82-V137 PolarHBondContact SG-O 2.81Å; V84-V137 HydrophobicContact CG2-CG1 3.77Å; V84-V137 HydrophobicContact CG2-CG2 4.18Å; I112-V137 HydrophobicContact CD1-CG2 4.19Å; F131-V137 HydrophobicContact CD1-CG1 3.79Å; F131-V137 HydrophobicContact CE1-CG1 4.03Å; D135-V137 HydrophobicContact CB-CG1 4.33Å; V137-G161 CarbonylContact C-O 3.5Å; V137-G161 VanDerWaalsContact CA-O 3.24Å; V137-G161 WeakPolarHBondContact CA-O 3.47Å; V137-V162 HydrophobicContact CG1-CB 4.39Å; V137-V162 HydrophobicContact CG1-CG2 3.84Å
138L93.1Very high85.7Confident44 Ų4462.1 Ų62.123%0.2333%0.327CS..EExtended strand (participates in β ladder)trans-87.8127.6167.1-73.1174.1000108.6I79 T81 L160 G161 V163I79-L138 HydrophobicContact CG2-CD2 4.23Å; T81-L138 HydrophobicContact CG2-CD2 4.48Å; T81-L138 VanDerWaalsContact OG1-CD2 3.28Å; T81-L138 WeakPolarHBondContact OG1-CD2 3.12Å; L138-L160 HydrophobicContact CB-CD2 4.11Å; L138-G161 PolarHBondContact N-O 2.97Å; L138-G161 PolarHBondContact O-N 2.83Å; L138-V163 HydrophobicContact CB-CG2 4.18Å; L138-V163 HydrophobicContact CD1-CG2 3.43Å; L138-V163 VanDerWaalsContact CD1-CG2 3.43Å; L138-V163 HydrophobicContact CG-CG2 3.53Å
139A93.5Very high84.6Confident0 Ų060.2 Ų60.20%033%0.333CS..EExtended strand (participates in β ladder)trans-139.8163.9178.900000109.9V80 I112 L153 T154 T155V80-A139 HydrophobicContact CG2-CB 4.49Å; V80-A139 WeakPolarHBondContact CG2-O 3.22Å; V80-A139 PolarHBondContact N-O 3.2Å; V80-A139 PolarHBondContact O-N 3.02Å; I112-A139 HydrophobicContact CD1-CB 4.48Å; A139-L153 HydrophobicContact CB-CB 4Å; A139-L153 HydrophobicContact CB-CD1 4.37Å; A139-T154 CarbonylContact C-O 3.07Å; A139-T154 WeakPolarHBondContact CA-O 3.28Å; A139-T154 WeakPolarHBondContact CB-O 3.43Å; A139-T155 HydrophobicContact CB-CG2 3.87Å
140K93.4Very high84.3Confident64 Ų6456 Ų5628%0.27832%0.317SS..EExtended strand (participates in β ladder)trans-113.3137.9177.7-177.6173.2179.9171.90110.1G77 A78 I142 L153 T154 E157 L160G77-K140 WeakPolarHBondContact O-CE 3.33Å; A78-K140 WeakPolarHBondContact O-CA 3.43Å; K140-I142 PolarHBondContact O-N 2.85Å; K140-L153 CarbonylContact O-C 3.59Å; K140-L153 WeakPolarHBondContact O-CA 3.36Å; K140-T154 HydrophobicContact CB-CG2 3.96Å; K140-T154 PolarHBondContact N-O 3.01Å; K140-T154 PolarHBondContact O-N 2.98Å; K140-E157 VanDerWaalsContact CD-OE1 3.28Å; K140-E157 WeakPolarHBondContact CD-OE1 3.39Å; K140-E157 IonicContact NZ-OE1 2.75Å; K140-E157 PolarHBondContact NZ-OE1 2.89Å; K140-L160 HydrophobicContact CB-CD1 3.65Å
141V92.6Very high84.4Confident2 Ų256.8 Ų56.81%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-74.6122.3179.1-177.40000109.6P74 D75 G77 A78 V80 Y151 L153P74-V141 HydrophobicContact CB-CG2 4.05Å; D75-V141 WeakPolarHBondContact O-CB 3.41Å; G77-V141 WeakPolarHBondContact CA-O 3.4Å; G77-V141 PolarHBondContact N-O 3.44Å; A78-V141 PolarHBondContact O-N 3.06Å; V80-V141 HydrophobicContact CG1-CG2 3.72Å; V80-V141 HydrophobicContact CG2-CG2 4.12Å; V141-Y151 HydrophobicContact CG1-CD1 4.01Å; V141-L153 HydrophobicContact CB-CD2 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.7Å
142I90.4Very high84.4Confident72 Ų7258.4 Ų58.437%0.36933%0.328SS..EExtended strand (participates in β ladder)trans-90.2-45.4172.5-56.7167.5000110.2V76 K140 L152 T154V76-I142 WeakPolarHBondContact CG1-O 3.4Å; K140-I142 PolarHBondContact O-N 2.85Å; I142-L152 HydrophobicContact CB-CB 4.44Å; I142-L152 PolarHBondContact N-O 3.26Å; I142-T154 VanDerWaalsContact CD1-CB 3.49Å; I142-T154 HydrophobicContact CD1-CG2 3.97Å; I142-T154 HydrophobicContact CG1-CG2 3.64Å
143S88Confident84.4Confident51 Ų5154 Ų5436%0.35731%0.312SS..EExtended strand (participates in β ladder)trans-157.3150.9-173.7178.50000110.5G145 L152S143-G145 VanDerWaalsContact C-N 3.28Å; S143-G145 PolarHBondContact O-N 2.78Å; S143-G145 PolarHBondContact OG-N 3.24Å; S143-L152 PolarHBondContact N-O 3.05Å; S143-L152 PolarHBondContact O-N 3.12Å
144L82.2Confident84.4Confident82 Ų8251.2 Ų51.243%0.42929%0.293SS..  trans-74.1-18.9-179.4-57.4171.4000112.6P74 V76 Y151P74-L144 VanDerWaalsContact O-CD2 3.24Å; P74-L144 WeakPolarHBondContact O-CD2 3.36Å; V76-L144 HydrophobicContact CG2-CG 4.34Å; L144-Y151 HydrophobicContact CD2-CD1 3.83Å; L144-Y151 HydrophobicContact CD2-CE1 3.24Å
145G69.6Low84.5Confident24 Ų2449.8 Ų49.825%0.24728%0.278CS..  trans74.6134.1179.300000113.7S143S143-G145 VanDerWaalsContact C-N 3.28Å; S143-G145 PolarHBondContact O-N 2.78Å; S143-G145 PolarHBondContact OG-N 3.24Å
146D62.9Low84.4Confident172 Ų17250.6 Ų50.692%0.9229%0.285SS*.SBendtrans-92.7-27.1-163.8-135.70.6000114.7
147V58.1Low84.2Confident136 Ų13651.6 Ų51.682%0.82429%0.289SS*.SBendtrans-114.8-22-163.3-170.60000114.5
148Q61.9Low83.9Confident155 Ų15558 Ų5872%0.72432%0.324SS*.SBendtrans-135.713.7-177.3-66.7-168.3-28.700114.1T150Q148-T150 HydrophobicContact CB-CG2 3.96Å; Q148-T150 PolarHBondContact O-N 2.78Å; Q148-T150 VanDerWaalsContact O-N 3.11Å
149S66Low83.7Confident95 Ų9560.5 Ų60.566%0.66433%0.334SS*.  trans50.635.2-173.6-50.20000112.3
150T83.4Confident83.6Confident31 Ų3160.7 Ų60.719%0.1934%0.335CS..EExtended strand (participates in β ladder)trans-99.3115.6177.355.10000109R109 Q148 L152R109-T150 HydrophobicContact CB-CG2 4.47Å; R109-T150 WeakPolarHBondContact O-CA 3.42Å; Q148-T150 HydrophobicContact CB-CG2 3.96Å; Q148-T150 PolarHBondContact O-N 2.78Å; Q148-T150 VanDerWaalsContact O-N 3.11Å; T150-L152 PolarHBondContact O-N 3.05Å
151Y90.1Very high83.5Confident20 Ų2057.7 Ų57.78%0.07832%0.322CS..EExtended strand (participates in β ladder)trans-64.5130.8176.6-69.2-102.2000109.6P74 I96 F108 R109 G110 T111 V141 L144P74-Y151 HydrophobicContact CB-CD1 4.17Å; P74-Y151 HydrophobicContact CB-CE1 3.73Å; P74-Y151 HydrophobicContact CG-CD1 4.19Å; P74-Y151 HydrophobicContact CG-CE1 3.55Å; I96-Y151 HydrophobicContact CD1-CD1 4.39Å; I96-Y151 HydrophobicContact CD1-CD2 4.19Å; I96-Y151 HydrophobicContact CD1-CG 3.94Å; F108-Y151 HydrophobicContact CB-CD2 4.1Å; F108-Y151 HydrophobicContact CB-CE2 3.87Å; F108-Y151 AromaticContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CD1-CE2 3.61Å; F108-Y151 HydrophobicContact CG-CE2 4.02Å; R109-Y151 PolarHBondContact O-N 3.17Å; G110-Y151 CarbonylContact C-O 3.46Å; G110-Y151 VanDerWaalsContact CA-O 3.28Å; G110-Y151 WeakPolarHBondContact CA-O 3.36Å; T111-Y151 PolarHBondContact N-O 2.78Å; V141-Y151 HydrophobicContact CG1-CD1 4.01Å; L144-Y151 HydrophobicContact CD2-CD1 3.83Å; L144-Y151 HydrophobicContact CD2-CE1 3.24Å
152L92.1Very high83.5Confident34 Ų3457.6 Ų57.618%0.17832%0.322CS..EExtended strand (participates in β ladder)trans-85.8121.4169.7-73.5169.2000108.3R113 I142 S143 T150R113-L152 HydrophobicContact CG-CD2 4.36Å; I142-L152 HydrophobicContact CB-CB 4.44Å; I142-L152 PolarHBondContact N-O 3.26Å; S143-L152 PolarHBondContact N-O 3.05Å; S143-L152 PolarHBondContact O-N 3.12Å; T150-L152 PolarHBondContact O-N 3.05Å
153L93.1Very high83.5Confident0 Ų056.3 Ų56.30%032%0.317CS..EExtended strand (participates in β ladder)trans-118.1139.8-175.2-58.3177.9000109.6V80 V94 I96 T111 I112 A139 K140 V141V80-L153 HydrophobicContact CG2-CD1 4.41Å; V80-L153 HydrophobicContact CG2-CD2 3.82Å; V94-L153 HydrophobicContact CG2-CD1 3.4Å; I96-L153 HydrophobicContact CD1-CD1 4.47Å; I96-L153 HydrophobicContact CD1-CD2 4.34Å; I96-L153 HydrophobicContact CG1-CD1 4.34Å; T111-L153 PolarHBondContact O-N 3.31Å; I112-L153 HydrophobicContact CG1-CB 3.76Å; A139-L153 HydrophobicContact CB-CB 4Å; A139-L153 HydrophobicContact CB-CD1 4.37Å; K140-L153 CarbonylContact O-C 3.59Å; K140-L153 WeakPolarHBondContact O-CA 3.36Å; V141-L153 HydrophobicContact CB-CD2 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.7Å
154T92.8Very high83.6Confident18 Ų1855.8 Ų55.811%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-112.6146.8171.4-174.90000110.7D116 A139 K140 I142 A156D116-T154 PolarHBondContact O-OG1 2.79Å; A139-T154 CarbonylContact C-O 3.07Å; A139-T154 WeakPolarHBondContact CA-O 3.28Å; A139-T154 WeakPolarHBondContact CB-O 3.43Å; K140-T154 HydrophobicContact CB-CG2 3.96Å; K140-T154 PolarHBondContact N-O 3.01Å; K140-T154 PolarHBondContact O-N 2.98Å; I142-T154 VanDerWaalsContact CD1-CB 3.49Å; I142-T154 HydrophobicContact CD1-CG2 3.97Å; I142-T154 HydrophobicContact CG1-CG2 3.64Å; T154-A156 WeakPolarHBondContact OG1-CB 3.48Å; T154-A156 PolarHBondContact OG1-N 3.36Å
155T92.9Very high84Confident0 Ų051.9 Ų51.90%029%0.291CS..  trans-1148.816658.80000111I112 D116 V117 F131 A139 E157 K193I112-T155 HydrophobicContact CD1-CG2 4.06Å; D116-T155 PolarHBondContact O-N 3.48Å; D116-T155 PolarHBondContact O-OG1 3.27Å; V117-T155 WeakPolarHBondContact CA-OG1 3.43Å; V117-T155 PolarHBondContact O-OG1 3.07Å; F131-T155 HydrophobicContact CZ-CG2 4.16Å; A139-T155 HydrophobicContact CB-CG2 3.87Å; T155-E157 PolarHBondContact O-N 3.34Å; T155-K193 PolarHBondContact O-NZ 3.49Å
156A89.9Confident85Confident20 Ų2055.2 Ų55.217%0.16530%0.3CS..  trans-49.4-35.6-166.100000115.5D116 E119 T154D116-A156 PolarHBondContact O-N 2.9Å; E119-A156 HydrophobicContact CB-CB 4.29Å; T154-A156 WeakPolarHBondContact OG1-CB 3.48Å; T154-A156 PolarHBondContact OG1-N 3.36Å
157E89.8Confident86.2Confident63 Ų6347.5 Ų47.529%0.29426%0.259SS..SBendtrans-64.3153.3178.8-56.4174-16400112.5K140 T155 E159 L160K140-E157 VanDerWaalsContact CD-OE1 3.28Å; K140-E157 WeakPolarHBondContact CD-OE1 3.39Å; K140-E157 IonicContact NZ-OE1 2.75Å; K140-E157 PolarHBondContact NZ-OE1 2.89Å; T155-E157 PolarHBondContact O-N 3.34Å; E157-E159 VanDerWaalsContact C-N 3.31Å; E157-E159 PolarHBondContact O-N 3.37Å; E157-L160 HydrophobicContact CB-CB 4.37Å; E157-L160 HydrophobicContact CB-CD1 3.84Å; E157-L160 HydrophobicContact CB-CG 3.96Å; E157-L160 HydrophobicContact CG-CD1 4.06Å; E157-L160 PolarHBondContact O-N 3.01Å
158N87.3Confident87.5Confident135 Ų13549 Ų4972%0.72226%0.258SS*.THydrogen-bonded Turntrans-71.2-26-177.5-68.6-35.9000113.6R196N158-R196 PolarHBondContact O-N 3.48Å
159E88.4Confident88.5Confident97 Ų9744.4 Ų44.445%0.45325%0.246SC..THydrogen-bonded Turntrans-80.2-12.2177.3-56.8-175.4157.700111.6E157 A195 Q198E157-E159 VanDerWaalsContact C-N 3.31Å; E157-E159 PolarHBondContact O-N 3.37Å; E159-A195 WeakPolarHBondContact O-CB 3.36Å; E159-Q198 PolarHBondContact OE1-NE2 3.5Å; E159-Q198 VanDerWaalsContact OE1-NE2 3.12Å
160L91Very high89.4Confident4 Ų442.3 Ų42.32%0.02124%0.239CC..  trans-104.3137.2-178.3-58.2178.1000111I79 L138 K140 E157 K193I79-L160 HydrophobicContact CG2-CD2 4.08Å; L138-L160 HydrophobicContact CB-CD2 4.11Å; K140-L160 HydrophobicContact CB-CD1 3.65Å; E157-L160 HydrophobicContact CB-CB 4.37Å; E157-L160 HydrophobicContact CB-CD1 3.84Å; E157-L160 HydrophobicContact CB-CG 3.96Å; E157-L160 HydrophobicContact CG-CD1 4.06Å; E157-L160 PolarHBondContact O-N 3.01Å; L160-K193 WeakPolarHBondContact O-CE 3.32Å
161G92Very high89.6Confident0 Ų041.7 Ų41.70%024%0.237CC..EExtended strand (participates in β ladder)trans153.8-162.2-173.500000112.5V137 L138 V163 K193V137-G161 CarbonylContact C-O 3.5Å; V137-G161 VanDerWaalsContact CA-O 3.24Å; V137-G161 WeakPolarHBondContact CA-O 3.47Å; L138-G161 PolarHBondContact N-O 2.97Å; L138-G161 PolarHBondContact O-N 2.83Å; G161-V163 PolarHBondContact O-N 3.46Å; G161-K193 CarbonylContact C-O 3.58Å
162V92.7Very high89.5Confident1 Ų146.4 Ų46.41%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-71.9123.4177.3-174.60000109.4S130 F131 D135 V137 A165 M181 R192 K193 A195S130-V162 WeakPolarHBondContact O-CG2 3.4Å; F131-V162 HydrophobicContact CD1-CG2 3.75Å; F131-V162 HydrophobicContact CE1-CG2 4.11Å; D135-V162 HydrophobicContact CB-CG1 4.27Å; V137-V162 HydrophobicContact CG1-CB 4.39Å; V137-V162 HydrophobicContact CG1-CG2 3.84Å; V162-A165 HydrophobicContact CG1-CB 3.96Å; V162-M181 HydrophobicContact CB-CE 4.45Å; V162-M181 HydrophobicContact CG1-CE 4.06Å; V162-M181 HydrophobicContact CG1-SD 4.08Å; V162-R192 HydrophobicContact CG2-CB 4.33Å; V162-K193 WeakPolarHBondContact CB-O 3.22Å; V162-K193 WeakPolarHBondContact CG2-O 3.36Å; V162-K193 PolarHBondContact N-O 3.06Å; V162-A195 PolarHBondContact O-N 2.99Å
163V90.3Very high89.4Confident45 Ų4545 Ų4527%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-103-45.7176.1-177.30000110.3I136 L138 G161 A195 V197I136-V163 PolarHBondContact O-N 3.31Å; L138-V163 HydrophobicContact CB-CG2 4.18Å; L138-V163 HydrophobicContact CD1-CG2 3.43Å; L138-V163 VanDerWaalsContact CD1-CG2 3.43Å; L138-V163 HydrophobicContact CG-CG2 3.53Å; G161-V163 PolarHBondContact O-N 3.46Å; V163-A195 HydrophobicContact CG2-CB 4Å; V163-V197 HydrophobicContact CG1-CG1 4.02Å
164V89.7Confident89.2Confident39 Ų3949.7 Ų49.724%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-122.8125.6179.4-173.70000109I136 Q172I136-V164 HydrophobicContact CB-CB 4Å; I136-V164 HydrophobicContact CG1-CB 4.13Å; I136-V164 PolarHBondContact N-O 2.75Å; I136-V164 PolarHBondContact O-N 3.09Å; V164-Q172 HydrophobicContact CG1-CG 4.28Å
165A90.6Very high89Confident0 Ų051.6 Ų51.60%029%0.289CS..  trans-131.6143.5176.900000109.7V162 Q172 M173 M181 R192V162-A165 HydrophobicContact CG1-CB 3.96Å; A165-Q172 WeakPolarHBondContact O-CA 3.33Å; A165-M173 HydrophobicContact CB-CB 4.42Å; A165-M173 HydrophobicContact CB-CE 3.5Å; A165-M173 VanDerWaalsContact CB-CE 3.5Å; A165-M173 PolarHBondContact O-N 3.44Å; A165-M181 HydrophobicContact CB-CE 4.41Å; A165-M181 HydrophobicContact CB-SD 3.48Å; A165-M181 WeakPolarHBondContact CB-SD 3.28Å; A165-R192 VanDerWaalsContact CB-NH1 3.33Å
166H90Very high88.8Confident95 Ų9556.1 Ų56.144%0.4431%0.312SS..BIsolated β-bridgetrans-105.7138.7173.3-63.981.6000109.1
167S88.6Confident88.6Confident9 Ų957.4 Ų57.46%0.06332%0.321CS..  trans-77.1167.7169.762.10000110.7A169 G170 A171 C183S167-A169 PolarHBondContact O-N 2.92Å; S167-G170 PolarHBondContact O-N 2.93Å; S167-A171 PolarHBondContact N-O 3.24Å; S167-A171 PolarHBondContact OG-N 3.22Å; S167-A171 PolarHBondContact OG-O 2.85Å; S167-C183 PolarHBondContact OG-SG 3.18Å
168E85Confident88.4Confident169 Ų16963.3 Ų63.379%0.7934%0.34SS*.THydrogen-bonded Turntrans-59.4-25.4174-67.7179.2179.700113.1R132 G170R132-E168 IonicContact NH1-OE1 3.92Å; R132-E168 PolarHBondContact NH1-OE1 3.24Å; E168-G170 PolarHBondContact O-N 3.27Å
169A82.8Confident88.3Confident57 Ų5762.5 Ų62.547%0.47133%0.327SS..THydrogen-bonded Turntrans-78.5-1.717400000113.6S167 A171 T186S167-A169 PolarHBondContact O-N 2.92Å; A169-A171 PolarHBondContact O-N 2.91Å; A169-T186 HydrophobicContact CB-CG2 4.18Å
170G84.5Confident88.4Confident52 Ų5260.5 Ų60.554%0.53632%0.318SS..SBendtrans79.3-3.4-176.700000114.7S167 E168S167-G170 PolarHBondContact O-N 2.93Å; E168-G170 PolarHBondContact O-N 3.27Å
171A88.5Confident88.3Confident18 Ų1860.4 Ų60.415%0.14932%0.317CS..PPolyproline II helixtrans-76.1142.2174.500000111.4S167 A169 M173 Q185S167-A171 PolarHBondContact N-O 3.24Å; S167-A171 PolarHBondContact OG-N 3.22Å; S167-A171 PolarHBondContact OG-O 2.85Å; A169-A171 PolarHBondContact O-N 2.91Å; A171-M173 PolarHBondContact O-N 3.25Å; A171-Q185 HydrophobicContact CB-CG 4.27Å
172Q88.6Confident88.3Confident119 Ų11962.3 Ų62.356%0.55633%0.326SS*.BIsolated β-bridgetrans-64.6129.8172.8-176.7174.4-20.100110V164 A165 P184V164-Q172 HydrophobicContact CG1-CG 4.28Å; A165-Q172 WeakPolarHBondContact O-CA 3.33Å; Q172-P184 WeakPolarHBondContact O-CD 3.24Å
173M89.6Confident88.1Confident4 Ų462.2 Ų62.22%0.0233%0.326CS..PPolyproline II helixtrans-84.4150.9179.6-61-163.1-71.200111.7A165 A171 M181 C183 E190 R192A165-M173 HydrophobicContact CB-CB 4.42Å; A165-M173 HydrophobicContact CB-CE 3.5Å; A165-M173 VanDerWaalsContact CB-CE 3.5Å; A165-M173 PolarHBondContact O-N 3.44Å; A171-M173 PolarHBondContact O-N 3.25Å; M173-M181 HydrophobicContact CB-CB 3.96Å; M173-M181 HydrophobicContact CE-CB 4.03Å; M173-M181 HydrophobicContact CE-SD 4.46Å; M173-M181 HydrophobicContact SD-CB 4.25Å; M173-C183 HydrophobicContact CG-CB 4.4Å; M173-E190 HydrophobicContact CE-CB 4.23Å; M173-E190 HydrophobicContact SD-CB 4.2Å; M173-E190 HydrophobicContact SD-CG 4.2Å; M173-R192 HydrophobicContact CE-CG 4.42Å; M173-R192 VanDerWaalsContact CE-NH2 3.29Å
174I89Confident88Confident99 Ų9963.3 Ų63.351%0.50833%0.334SS..EExtended strand (participates in β ladder)trans-103132.5179.8-56.9171.9000108.5I176 M181 Q182 P184I174-I176 PolarHBondContact O-N 2.51Å; I174-M181 WeakPolarHBondContact O-CA 3.2Å; I174-Q182 PolarHBondContact N-O 3.33Å; I174-Q182 PolarHBondContact O-N 2.96Å; I174-P184 HydrophobicContact CD1-CB 4.12Å; I174-P184 HydrophobicContact CD1-CG 4.43Å
175P88.7Confident88Confident58 Ų5868.1 Ų68.138%0.37735%0.354SS..EExtended strand (participates in β ladder)trans-69122.1173.729.2-34.2000110.7M181 V194P175-M181 HydrophobicContact CB-CE 4.3Å; P175-V194 HydrophobicContact CB-CG1 3.44Å; P175-V194 VanDerWaalsContact CB-CG1 3.44Å; P175-V194 HydrophobicContact CB-CG2 4.49Å
176I87.8Confident87.9Confident94 Ų9471.9 Ų71.948%0.48238%0.377SS..EExtended strand (participates in β ladder)trans-99.3-36.7173.3-63.8-167.6000110.6I174 E180 Q182I174-I176 PolarHBondContact O-N 2.51Å; I176-E180 PolarHBondContact N-O 3.33Å; I176-E180 VanDerWaalsContact N-O 3.08Å; I176-Q182 HydrophobicContact CD1-CB 3.24Å; I176-Q182 HydrophobicContact CD1-CG 3.96Å; I176-Q182 HydrophobicContact CG1-CB 3.84Å
177S87Confident87.8Confident48 Ų4872.3 Ų72.334%0.33638%0.382SS..EExtended strand (participates in β ladder)trans-145.7167.9-177.3-169.60000110.1R179 E180 V194S177-R179 PolarHBondContact O-N 2.62Å; S177-E180 PolarHBondContact N-O 2.92Å; S177-E180 VanDerWaalsContact N-O 3.14Å; S177-E180 PolarHBondContact O-N 3.02Å; S177-E180 VanDerWaalsContact O-O 3.13Å; S177-V194 WeakPolarHBondContact O-CB 3.38Å; S177-V194 VanDerWaalsContact O-CG2 3.28Å; S177-V194 WeakPolarHBondContact O-CG2 3.4Å
178W84.1Confident87.8Confident187 Ų18774 Ų7471%0.70840%0.396SS*.THydrogen-bonded Turntrans-57.7-6.4173.154.99.5000115.7
179R85.9Confident88.1Confident117 Ų11772 Ų7244%0.44239%0.385SS..THydrogen-bonded Turntrans-132.7-12.1-174.7-72.5178.2-177.4-164.8-1.1112.7S177 F191 R192S177-R179 PolarHBondContact O-N 2.62Å; R179-F191 VanDerWaalsContact O-CA 3.26Å; R179-F191 WeakPolarHBondContact O-CA 3.48Å; R179-R192 CarbonylContact C-O 3.55Å; R179-R192 VanDerWaalsContact CA-O 3.22Å; R179-R192 WeakPolarHBondContact CA-O 3.43Å; R179-R192 PolarHBondContact O-N 2.83Å
180E89.5Confident88.4Confident56 Ų5670.2 Ų70.226%0.26237%0.367SS..EExtended strand (participates in β ladder)trans-136.3132-168.6-67.1-178.7-170.100110.8I176 S177 E190 F191I176-E180 PolarHBondContact N-O 3.33Å; I176-E180 VanDerWaalsContact N-O 3.08Å; S177-E180 PolarHBondContact N-O 2.92Å; S177-E180 VanDerWaalsContact N-O 3.14Å; S177-E180 PolarHBondContact O-N 3.02Å; S177-E180 VanDerWaalsContact O-O 3.13Å; E180-E190 WeakPolarHBondContact CA-O 3.28Å; E180-F191 HydrophobicContact CG-CD1 3.84Å; E180-F191 HydrophobicContact CG-CE1 3.8Å; E180-F191 WeakPolarHBondContact OE1-CE1 3.36Å
181M90.6Very high88.7Confident2 Ų273.1 Ų73.11%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-114.6143.8168.3-73.9178.9150.200108.7V162 A165 M173 I174 P175 E190 R192 V194V162-M181 HydrophobicContact CB-CE 4.45Å; V162-M181 HydrophobicContact CG1-CE 4.06Å; V162-M181 HydrophobicContact CG1-SD 4.08Å; A165-M181 HydrophobicContact CB-CE 4.41Å; A165-M181 HydrophobicContact CB-SD 3.48Å; A165-M181 WeakPolarHBondContact CB-SD 3.28Å; M173-M181 HydrophobicContact CB-CB 3.96Å; M173-M181 HydrophobicContact CE-CB 4.03Å; M173-M181 HydrophobicContact CE-SD 4.46Å; M173-M181 HydrophobicContact SD-CB 4.25Å; I174-M181 WeakPolarHBondContact O-CA 3.2Å; P175-M181 HydrophobicContact CB-CE 4.3Å; M181-E190 PolarHBondContact N-O 2.78Å; M181-E190 PolarHBondContact O-N 3.45Å; M181-R192 HydrophobicContact CB-CG 4.44Å; M181-R192 HydrophobicContact CG-CB 4.27Å; M181-R192 HydrophobicContact CG-CG 4.39Å; M181-R192 HydrophobicContact SD-CB 3.93Å; M181-R192 HydrophobicContact SD-CG 3.93Å; M181-V194 HydrophobicContact CE-CB 4.46Å; M181-V194 HydrophobicContact CE-CG1 4.12Å; M181-V194 HydrophobicContact CE-CG2 3.89Å; M181-V194 HydrophobicContact CG-CG2 3.54Å; M181-V194 HydrophobicContact SD-CG2 4.13Å
182Q90.1Very high88.8Confident39 Ų3972.4 Ų72.418%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-120.1137.7177.9-178.6169.5-3500110.3I174 I176 N187 A188 K189I174-Q182 PolarHBondContact N-O 3.33Å; I174-Q182 PolarHBondContact O-N 2.96Å; I176-Q182 HydrophobicContact CD1-CB 3.24Å; I176-Q182 HydrophobicContact CD1-CG 3.96Å; I176-Q182 HydrophobicContact CG1-CB 3.84Å; Q182-N187 PolarHBondContact NE2-OD1 2.89Å; Q182-A188 WeakPolarHBondContact CA-O 3.39Å; Q182-K189 HydrophobicContact CG-CG 4.45Å
183C88.9Confident88.8Confident0 Ų067.2 Ų67.20%033%0.334CS..  trans-75.7129170.51800000110.1S167 M173 Q185 T186 N187 A188S167-C183 PolarHBondContact OG-SG 3.18Å; M173-C183 HydrophobicContact CG-CB 4.4Å; C183-Q185 VanDerWaalsContact C-N 3.25Å; C183-Q185 PolarHBondContact O-N 3.05Å; C183-Q185 PolarHBondContact SG-N 3.37Å; C183-T186 VanDerWaalsContact CB-OG1 3.28Å; C183-T186 WeakPolarHBondContact CB-OG1 2.94Å; C183-T186 PolarHBondContact SG-OG1 3.27Å; C183-N187 VanDerWaalsContact O-CA 3.23Å; C183-N187 WeakPolarHBondContact O-CA 3.41Å; C183-N187 PolarHBondContact O-N 3.25Å; C183-A188 PolarHBondContact N-O 3.49Å; C183-A188 VanDerWaalsContact N-O 3.07Å
184P89.6Confident88.8Confident68 Ų6867.8 Ų67.844%0.44234%0.338SS..THydrogen-bonded Turntrans-67.9-23.5178.726.6-34.4000113.5Q172 I174Q172-P184 WeakPolarHBondContact O-CD 3.24Å; I174-P184 HydrophobicContact CD1-CB 4.12Å; I174-P184 HydrophobicContact CD1-CG 4.43Å
185Q89.4Confident88.7Confident140 Ų14063.2 Ų63.265%0.65432%0.315SS*.THydrogen-bonded Turntrans-89.3-47.5-178.1-67.5-172.4-31.700112.8A171 C183A171-Q185 HydrophobicContact CB-CG 4.27Å; C183-Q185 VanDerWaalsContact C-N 3.25Å; C183-Q185 PolarHBondContact O-N 3.05Å; C183-Q185 PolarHBondContact SG-N 3.37Å
186T88.1Confident88.3Confident79 Ų7969.8 Ų69.849%0.48533%0.332SS..THydrogen-bonded Turntrans-94.2-12.2-17562.30000113A169 C183 A188A169-T186 HydrophobicContact CB-CG2 4.18Å; C183-T186 VanDerWaalsContact CB-OG1 3.28Å; C183-T186 WeakPolarHBondContact CB-OG1 2.94Å; C183-T186 PolarHBondContact SG-OG1 3.27Å; T186-A188 PolarHBondContact O-N 3.3Å; T186-A188 WeakPolarHBondContact OG1-CB 3.34Å; T186-A188 PolarHBondContact OG1-N 3.4Å
187N87.5Confident87.3Confident103 Ų10368.2 Ų68.255%0.55133%0.327SS*.  trans54.514.8-169.6-65.6-61.2000114.3Q182 C183 K189Q182-N187 PolarHBondContact NE2-OD1 2.89Å; C183-N187 VanDerWaalsContact O-CA 3.23Å; C183-N187 WeakPolarHBondContact O-CA 3.41Å; C183-N187 PolarHBondContact O-N 3.25Å; N187-K189 PolarHBondContact O-N 3.12Å
188A89.2Confident86Confident44 Ų4469.7 Ų69.736%0.36433%0.329SS..  trans-68.8131.6174.900000109.5Q182 C183 T186Q182-A188 WeakPolarHBondContact CA-O 3.39Å; C183-A188 PolarHBondContact N-O 3.49Å; C183-A188 VanDerWaalsContact N-O 3.07Å; T186-A188 PolarHBondContact O-N 3.3Å; T186-A188 WeakPolarHBondContact OG1-CB 3.34Å; T186-A188 PolarHBondContact OG1-N 3.4Å
189K90.5Very high84.5Confident129 Ų12965.1 Ų65.156%0.56132%0.323SS*.EExtended strand (participates in β ladder)trans-94.7126.2175.4-64-175.5179.4-172.90109.4Q182 N187Q182-K189 HydrophobicContact CG-CG 4.45Å; N187-K189 PolarHBondContact O-N 3.12Å
190E89.9Confident82.8Confident18 Ų1866 Ų668%0.08433%0.332CS..EExtended strand (participates in β ladder)trans-119.7136.3177.5-67.6-170.8-151.500110.6R132 M173 E180 M181 R192R132-E190 IonicContact CZ-OE2 3.46Å; R132-E190 VanDerWaalsContact CZ-OE2 3.27Å; R132-E190 IonicContact NE-OE2 3.43Å; R132-E190 PolarHBondContact NE-OE2 2.63Å; R132-E190 IonicContact NH1-OE2 2.64Å; R132-E190 IonicContact NH2-OE2 3.95Å; M173-E190 HydrophobicContact CE-CB 4.23Å; M173-E190 HydrophobicContact SD-CB 4.2Å; M173-E190 HydrophobicContact SD-CG 4.2Å; E180-E190 WeakPolarHBondContact CA-O 3.28Å; M181-E190 PolarHBondContact N-O 2.78Å; M181-E190 PolarHBondContact O-N 3.45Å; E190-R192 PolarHBondContact O-N 2.88Å; E190-R192 IonicContact OE2-CZ 3.63Å; E190-R192 IonicContact OE2-NE 2.78Å; E190-R192 IonicContact OE2-NH2 3.42Å; E190-R192 PolarHBondContact OE2-NH2 2.9Å
191F90.7Very high81Confident114 Ų11472.7 Ų72.750%0.536%0.356SS..EExtended strand (participates in β ladder)trans-75.3126.3174.2-63.7-75.4000110.1K129 R179 E180K129-F191 HydrophobicContact CB-CB 4.19Å; K129-F191 CarbonylContact O-C 3.09Å; R179-F191 VanDerWaalsContact O-CA 3.26Å; R179-F191 WeakPolarHBondContact O-CA 3.48Å; E180-F191 HydrophobicContact CG-CD1 3.84Å; E180-F191 HydrophobicContact CG-CE1 3.8Å; E180-F191 WeakPolarHBondContact OE1-CE1 3.36Å
192R90.6Very high79.1Confident3 Ų378.9 Ų78.91%0.01139%0.389CS..  trans-145.7151.6173.8-60.2-63.2174.885.88.2109.2K129 R132 D135 V162 A165 M173 R179 M181 E190 V194K129-R192 WeakPolarHBondContact O-CA 3.26Å; K129-R192 PolarHBondContact O-N 3.47Å; R132-R192 VanDerWaalsContact CD-NH2 3.27Å; D135-R192 IonicContact OD1-CZ 3.27Å; D135-R192 IonicContact OD1-NH1 3.43Å; D135-R192 PolarHBondContact OD1-NH1 3.14Å; D135-R192 IonicContact OD2-CZ 2.69Å; D135-R192 IonicContact OD2-NE 3.51Å; D135-R192 IonicContact OD2-NH1 3.54Å; D135-R192 PolarHBondContact OD2-NH1 3.08Å; V162-R192 HydrophobicContact CG2-CB 4.33Å; A165-R192 VanDerWaalsContact CB-NH1 3.33Å; M173-R192 HydrophobicContact CE-CG 4.42Å; M173-R192 VanDerWaalsContact CE-NH2 3.29Å; R179-R192 CarbonylContact C-O 3.55Å; R179-R192 VanDerWaalsContact CA-O 3.22Å; R179-R192 WeakPolarHBondContact CA-O 3.43Å; R179-R192 PolarHBondContact O-N 2.83Å; M181-R192 HydrophobicContact CB-CG 4.44Å; M181-R192 HydrophobicContact CG-CB 4.27Å; M181-R192 HydrophobicContact CG-CG 4.39Å; M181-R192 HydrophobicContact SD-CB 3.93Å; M181-R192 HydrophobicContact SD-CG 3.93Å; E190-R192 PolarHBondContact O-N 2.88Å; E190-R192 IonicContact OE2-CZ 3.63Å; E190-R192 IonicContact OE2-NE 2.78Å; E190-R192 IonicContact OE2-NH2 3.42Å; E190-R192 PolarHBondContact OE2-NH2 2.9Å; R192-V194 HydrophobicContact CB-CG2 4.39Å; R192-V194 PolarHBondContact O-N 3.44Å; R192-V194 VanDerWaalsContact O-N 3.09Å
193K88.3Confident76.6Confident10 Ų1085.6 Ų85.64%0.04342%0.42CS..  trans-80.191.2169.3-173.2-169.1170.3176.60108.6V117 S130 T155 L160 G161 V162V117-K193 HydrophobicContact CG1-CD 3.93Å; V117-K193 VanDerWaalsContact O-CD 3.32Å; V117-K193 WeakPolarHBondContact O-CD 3.37Å; V117-K193 WeakPolarHBondContact O-CE 3.45Å; V117-K193 PolarHBondContact O-NZ 2.78Å; S130-K193 PolarHBondContact O-N 3.26Å; T155-K193 PolarHBondContact O-NZ 3.49Å; L160-K193 WeakPolarHBondContact O-CE 3.32Å; G161-K193 CarbonylContact C-O 3.58Å; V162-K193 WeakPolarHBondContact CB-O 3.22Å; V162-K193 WeakPolarHBondContact CG2-O 3.36Å; V162-K193 PolarHBondContact N-O 3.06Å
194V89.1Confident74.1Confident16 Ų1693.4 Ų93.410%0.09749%0.485CS..BIsolated β-bridgetrans-75.1129.1-176.5179.70000110.8P175 S177 M181 R192P175-V194 HydrophobicContact CB-CG1 3.44Å; P175-V194 VanDerWaalsContact CB-CG1 3.44Å; P175-V194 HydrophobicContact CB-CG2 4.49Å; S177-V194 WeakPolarHBondContact O-CB 3.38Å; S177-V194 VanDerWaalsContact O-CG2 3.28Å; S177-V194 WeakPolarHBondContact O-CG2 3.4Å; M181-V194 HydrophobicContact CE-CB 4.46Å; M181-V194 HydrophobicContact CE-CG1 4.12Å; M181-V194 HydrophobicContact CE-CG2 3.89Å; M181-V194 HydrophobicContact CG-CG2 3.54Å; M181-V194 HydrophobicContact SD-CG2 4.13Å; R192-V194 HydrophobicContact CB-CG2 4.39Å; R192-V194 PolarHBondContact O-N 3.44Å; R192-V194 VanDerWaalsContact O-N 3.09Å
195A87.4Confident73.3Confident3 Ų394.7 Ų94.73%0.02549%0.487CS..  trans-71.6137.2168.600000110.1E159 V162 V163 V197E159-A195 WeakPolarHBondContact O-CB 3.36Å; V162-A195 PolarHBondContact O-N 2.99Å; V163-A195 HydrophobicContact CG2-CB 4Å; A195-V197 PolarHBondContact O-N 2.75Å
196R81.1Confident72.5Confident195 Ų19592.3 Ų92.374%0.73648%0.478SS*.  trans-7296.1169.1-172.3179.1179.5-176.5-1.9108.8N158 Q198N158-R196 PolarHBondContact O-N 3.48Å; R196-Q198 PolarHBondContact O-N 2.96Å
197V66.6Low71.6Confident62 Ų6293.1 Ų93.138%0.37648%0.478SS..  trans-70.4121.8170.4-70.20000108.8V163 A195 L202V163-V197 HydrophobicContact CG1-CG1 4.02Å; A195-V197 PolarHBondContact O-N 2.75Å; V197-L202 HydrophobicContact CG2-CD1 4.21Å
198Q58.5Low70.7Confident79 Ų7992.5 Ų92.537%0.36947%0.473SS..  trans-67.7132.7167.3-66.4176.76.100107.3E159 R196 E200 Y201E159-Q198 PolarHBondContact OE1-NE2 3.5Å; E159-Q198 VanDerWaalsContact OE1-NE2 3.12Å; R196-Q198 PolarHBondContact O-N 2.96Å; Q198-E200 PolarHBondContact O-N 3.07Å; Q198-E200 PolarHBondContact OE1-OE2 3.06Å; Q198-Y201 PolarHBondContact O-N 3.5Å
199P52.6Low69.5Low90 Ų9095.5 Ų95.558%0.58448%0.48SS*.G310 helixtrans-60.1-18.8-173.922.2-31.8000113.5Y201 L202P199-Y201 PolarHBondContact O-N 2.86Å; P199-Y201 VanDerWaalsContact O-N 3.12Å; P199-L202 PolarHBondContact O-N 2.78Å; P199-L202 VanDerWaalsContact O-N 3.17Å
200E51.2Low68.1Low136 Ų13693.3 Ų93.364%0.63648%0.475SS*.G310 helixtrans-61-19.3178-62.5109.8-149.300114.4Q198Q198-E200 PolarHBondContact O-N 3.07Å; Q198-E200 PolarHBondContact OE1-OE2 3.06Å
201Y50.8Low66.6Low196 Ų19698.6 Ų98.677%0.76950%0.503SS*.G310 helixtrans-93.7-1.5179.2-73.8-86.7000114.6Q198 P199Q198-Y201 PolarHBondContact O-N 3.5Å; P199-Y201 PolarHBondContact O-N 2.86Å; P199-Y201 VanDerWaalsContact O-N 3.12Å
202L52.1Low64.7Low132 Ų13297.5 Ų97.569%0.69150%0.503SS*.SBendtrans-98.2-10-178.6-82156.8000113.8V197 P199V197-L202 HydrophobicContact CG2-CD1 4.21Å; P199-L202 PolarHBondContact O-N 2.78Å; P199-L202 VanDerWaalsContact O-N 3.17Å
203E37.7Very low62.6Low181 Ų181105.3 Ų105.385%0.84654%0.544SS*.  trans-106.823.1-173.4-66.8-169.7159.500115
204A35.3Very low60.2Low164 Ų164114 Ų114100%1.35559%0.589SS**  trans-103.20176.200000113.1

Retrieved 204 of 204 residues in 249.9 ms (Link to these results)