A0A087X8V9_POEFO Loading...

R-spondin 1

AlphaFold DB , UniProt , Accession A0A087X8V9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M46.6Very low70.8Confident243 Ų243115.3 Ų115.3100%1.19758%0.576SS**  0114.10-94.4164.5164.200107.9S3M1-S3 PolarHBondContact O-N 3.41Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2F51.3Low71.7Confident210 Ų210109.1 Ų109.192%0.92156%0.556SS**  trans-60.8114.1168.6-75.7-88.1000106.8E4F2-E4 PolarHBondContact O-N 3.39Å
3S59.7Low72.7Confident82 Ų82103.6 Ų103.657%0.57353%0.533SS*.  trans-53.3124.4177470000108.6M1 C5M1-S3 PolarHBondContact O-N 3.41Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-C5 PolarHBondContact O-N 2.75Å; S3-C5 VanDerWaalsContact O-N 3.07Å
4E64.9Low73.4Confident182 Ų182108.5 Ų108.585%0.8555%0.549SS*.  trans-45120.3176.2-68.2178.9105.200108.9F2 K6F2-E4 PolarHBondContact O-N 3.39Å; E4-K6 PolarHBondContact O-N 3.27Å; E4-K6 VanDerWaalsContact O-N 3.15Å
5C69.6Low73.7Confident49 Ų49105.5 Ų105.533%0.33154%0.542SS..  trans-66.9121.6-178.6-170.90000108.8S3 I7 C13S3-C5 PolarHBondContact O-N 2.75Å; S3-C5 VanDerWaalsContact O-N 3.07Å; C5-I7 PolarHBondContact O-N 3.42Å; C5-I7 VanDerWaalsContact SG-CG1 3.53Å; C5-C13 HydrophobicContact CB-CB 3.68Å; C5-C13 WeakPolarHBondContact CB-SG 3.39Å; C5-C13 WeakPolarHBondContact SG-CB 3.23Å; C5-C13 CovalentContact SG-SG 1.97Å; C5-C13 PolarHBondContact SG-SG 2.86Å
6K76.7Confident74Confident180 Ų180109.6 Ų109.678%0.78355%0.549SS*.  trans-84.312.9179.7-63.9-171.5176.8-169.90113.1E4E4-K6 PolarHBondContact O-N 3.27Å; E4-K6 VanDerWaalsContact O-N 3.15Å
7I78.6Confident74.3Confident24 Ų24110.1 Ų110.112%0.12355%0.553CS.*SBendtrans-93.8123.4-177.2-55.2173.5000108.4C5 C10 C13 R16 N17 F18 C19C5-I7 PolarHBondContact O-N 3.42Å; C5-I7 VanDerWaalsContact SG-CG1 3.53Å; I7-C10 HydrophobicContact CB-CB 4.02Å; I7-C10 HydrophobicContact CG2-CB 4.07Å; I7-C10 PolarHBondContact O-N 3.39Å; I7-C13 HydrophobicContact CD1-CB 4.4Å; I7-R16 WeakPolarHBondContact CG1-O 3.45Å; I7-N17 VanDerWaalsContact CD1-C 3.46Å; I7-F18 VanDerWaalsContact CD1-N 3.28Å; I7-C19 HydrophobicContact CD1-CB 4.14Å; I7-C19 HydrophobicContact CG2-CB 4.24Å
8D79.3Confident74.8Confident129 Ų129109.5 Ų109.569%0.6955%0.547SS*.THydrogen-bonded Turntrans-56.9136.1176.5-104-79.9000111.9C10D8-C10 PolarHBondContact O-N 2.91Å
9N80.6Confident75.4Confident57 Ų57104.2 Ų104.231%0.30552%0.521SS..THydrogen-bonded Turntrans59.127.5175.9-55.3-62.1000115.8K23 L26 C33N9-K23 PolarHBondContact O-N 3.45Å; N9-L26 HydrophobicContact CB-CD1 3.85Å; N9-L26 HydrophobicContact CB-CD2 3.53Å; N9-L26 HydrophobicContact CB-CG 4.32Å; N9-C33 HydrophobicContact CB-CB 3.99Å; N9-C33 PolarHBondContact O-SG 2.96Å; N9-C33 VanDerWaalsContact O-SG 3.39Å
10C85.4Confident75.8Confident18 Ų18103.4 Ų103.412%0.12252%0.522CS..EExtended strand (participates in β ladder)trans-108.2135.3178.2-1700000113.1I7 D8 A12 C13 C19 K21I7-C10 HydrophobicContact CB-CB 4.02Å; I7-C10 HydrophobicContact CG2-CB 4.07Å; I7-C10 PolarHBondContact O-N 3.39Å; D8-C10 PolarHBondContact O-N 2.91Å; C10-A12 VanDerWaalsContact SG-C 3.56Å; C10-A12 PolarHBondContact SG-O 2.03Å; C10-C13 PolarHBondContact SG-SG 3.27Å; C10-C19 HydrophobicContact CB-CB 3.86Å; C10-C19 WeakPolarHBondContact CB-SG 3.34Å; C10-C19 VanDerWaalsContact SG-CA 3.52Å; C10-C19 WeakPolarHBondContact SG-CB 3.41Å; C10-C19 CovalentContact SG-SG 2.01Å; C10-C19 PolarHBondContact SG-SG 2.01Å; C10-K21 PolarHBondContact SG-O 2.75Å
11E85.9Confident76.2Confident94 Ų94103.8 Ų103.844%0.43952%0.52SS..EExtended strand (participates in β ladder)trans-89.9-39.3175.4-66.5-174.8-177.700112.7K21 K23E11-K21 HydrophobicContact CB-CB 4.42Å; E11-K21 HydrophobicContact CB-CD 4.35Å; E11-K21 HydrophobicContact CB-CG 4.44Å; E11-K21 PolarHBondContact N-O 3.38Å; E11-K21 WeakPolarHBondContact OE2-CD 3.45Å; E11-K21 VanDerWaalsContact OE2-CE 3.26Å; E11-K21 WeakPolarHBondContact OE2-CE 3.27Å; E11-K21 IonicContact OE2-NZ 3.99Å; E11-K21 PolarHBondContact OE2-NZ 2.9Å; E11-K23 HydrophobicContact CG-CB 4.25Å; E11-K23 HydrophobicContact CG-CG 3.63Å; E11-K23 WeakPolarHBondContact OE1-CA 3.4Å
12A82.2Confident78Confident41 Ų4193.2 Ų93.234%0.33947%0.47SS..EExtended strand (participates in β ladder)trans-139134.1179.500000110.6C10 T20 K21C10-A12 VanDerWaalsContact SG-C 3.56Å; C10-A12 PolarHBondContact SG-O 2.03Å; A12-T20 PolarHBondContact O-N 3.1Å; A12-T20 PolarHBondContact O-OG1 2.88Å; A12-K21 HydrophobicContact CB-CB 3.88Å; A12-K21 PolarHBondContact N-O 3.06Å; A12-K21 PolarHBondContact O-N 3.07Å
13C84.8Confident79.7Confident38 Ų3888.1 Ų88.126%0.25745%0.448SS..EExtended strand (participates in β ladder)trans-125.6136.8-178.4-57.40000111.2C5 I7 C10 F18C5-C13 HydrophobicContact CB-CB 3.68Å; C5-C13 WeakPolarHBondContact CB-SG 3.39Å; C5-C13 WeakPolarHBondContact SG-CB 3.23Å; C5-C13 CovalentContact SG-SG 1.97Å; C5-C13 PolarHBondContact SG-SG 2.86Å; I7-C13 HydrophobicContact CD1-CB 4.4Å; C10-C13 PolarHBondContact SG-SG 3.27Å; C13-F18 CarbonylContact C-O 3.58Å; C13-F18 WeakPolarHBondContact CA-O 3.04Å
14F81.8Confident80.6Confident172 Ų17292.8 Ų92.875%0.75446%0.46SS*.EExtended strand (participates in β ladder)trans-77.9-32170.1-177.7-106000111.6F18 T20F14-F18 HydrophobicContact CB-CD1 3.97Å; F14-F18 PolarHBondContact N-O 3.41Å; F14-T20 HydrophobicContact CB-CG2 3.62Å
15S78.9Confident81.2Confident64 Ų6486.4 Ų86.445%0.44844%0.444SS..EExtended strand (participates in β ladder)trans-150.1172.8179.3-175.10000110.6N17 F18S15-N17 PolarHBondContact O-N 2.84Å; S15-F18 PolarHBondContact N-O 3.08Å; S15-F18 PolarHBondContact O-N 2.98Å
16R77.7Confident81.8Confident171 Ų17185 Ų8565%0.64543%0.433SS*.THydrogen-bonded Turntrans-57.9-16.6176.6-65.6-179-178.7174.51113.7I7I7-R16 WeakPolarHBondContact CG1-O 3.45Å
17N79.1Confident82.1Confident117 Ų11780.2 Ų80.263%0.62641%0.41SS*.THydrogen-bonded Turntrans-122.2-1.6-177.9-62.4-55.8000114.3I7 S15I7-N17 VanDerWaalsContact CD1-C 3.46Å; S15-N17 PolarHBondContact O-N 2.84Å
18F83.1Confident82.2Confident100 Ų10080.7 Ų80.744%0.43942%0.415SS..EExtended strand (participates in β ladder)trans-130.8107.9-175.5-165.3-84.2000111.1I7 C13 F14 S15 T20I7-F18 VanDerWaalsContact CD1-N 3.28Å; C13-F18 CarbonylContact C-O 3.58Å; C13-F18 WeakPolarHBondContact CA-O 3.04Å; F14-F18 HydrophobicContact CB-CD1 3.97Å; F14-F18 PolarHBondContact N-O 3.41Å; S15-F18 PolarHBondContact N-O 3.08Å; S15-F18 PolarHBondContact O-N 2.98Å; F18-T20 HydrophobicContact CD1-CG2 4.07Å; F18-T20 HydrophobicContact CE1-CG2 4.03Å
19C85.9Confident82.3Confident8 Ų875.8 Ų75.85%0.05439%0.389CS..EExtended strand (participates in β ladder)trans-81.5128171.7-175.60000110.1I7 C10 K21 G31 C33I7-C19 HydrophobicContact CD1-CB 4.14Å; I7-C19 HydrophobicContact CG2-CB 4.24Å; C10-C19 HydrophobicContact CB-CB 3.86Å; C10-C19 WeakPolarHBondContact CB-SG 3.34Å; C10-C19 VanDerWaalsContact SG-CA 3.52Å; C10-C19 WeakPolarHBondContact SG-CB 3.41Å; C10-C19 CovalentContact SG-SG 2.01Å; C10-C19 PolarHBondContact SG-SG 2.01Å; C19-K21 PolarHBondContact SG-O 2.84Å; C19-G31 WeakPolarHBondContact CB-O 3.24Å; C19-G31 PolarHBondContact N-O 2.87Å; C19-C33 PolarHBondContact SG-SG 3.38Å
20T83.9Confident82.3Confident88 Ų8877.4 Ų77.454%0.5440%0.404SS..EExtended strand (participates in β ladder)trans-95.8-23173.249.20000112.6A12 F14 F18A12-T20 PolarHBondContact O-N 3.1Å; A12-T20 PolarHBondContact O-OG1 2.88Å; F14-T20 HydrophobicContact CB-CG2 3.62Å; F18-T20 HydrophobicContact CD1-CG2 4.07Å; F18-T20 HydrophobicContact CE1-CG2 4.03Å
21K83.8Confident82Confident113 Ų11377 Ų7749%0.49140%0.403SS..EExtended strand (participates in β ladder)trans-141.6113.5177.7-164.8-174.8-178-146.40111C10 E11 A12 C19C10-K21 PolarHBondContact SG-O 2.75Å; E11-K21 HydrophobicContact CB-CB 4.42Å; E11-K21 HydrophobicContact CB-CD 4.35Å; E11-K21 HydrophobicContact CB-CG 4.44Å; E11-K21 PolarHBondContact N-O 3.38Å; E11-K21 WeakPolarHBondContact OE2-CD 3.45Å; E11-K21 VanDerWaalsContact OE2-CE 3.26Å; E11-K21 WeakPolarHBondContact OE2-CE 3.27Å; E11-K21 IonicContact OE2-NZ 3.99Å; E11-K21 PolarHBondContact OE2-NZ 2.9Å; A12-K21 HydrophobicContact CB-CB 3.88Å; A12-K21 PolarHBondContact N-O 3.06Å; A12-K21 PolarHBondContact O-N 3.07Å; C19-K21 PolarHBondContact SG-O 2.84Å
22C85.9Confident81.9Confident21 Ų2179 Ų7914%0.14241%0.407CS..EExtended strand (participates in β ladder)trans-76.6157.4171.5-66.10000111.2L26 C33C22-L26 HydrophobicContact CB-CB 4.26Å; C22-C33 WeakPolarHBondContact CA-SG 3.33Å; C22-C33 HydrophobicContact CB-CB 3.76Å; C22-C33 WeakPolarHBondContact CB-SG 2.99Å; C22-C33 VanDerWaalsContact SG-CA 3.51Å; C22-C33 WeakPolarHBondContact SG-CB 2.99Å; C22-C33 CovalentContact SG-SG 2.02Å; C22-C33 PolarHBondContact SG-SG 3.29Å
23K85.3Confident82.1Confident103 Ų10377.6 Ų77.645%0.44839%0.394SS..PPolyproline II helixtrans-62.3153.4169.9-64.7175.2178.5-178.90110.7N9 E11 G25 L26N9-K23 PolarHBondContact O-N 3.45Å; E11-K23 HydrophobicContact CG-CB 4.25Å; E11-K23 HydrophobicContact CG-CG 3.63Å; E11-K23 WeakPolarHBondContact OE1-CA 3.4Å; K23-G25 PolarHBondContact O-N 3.38Å; K23-L26 HydrophobicContact CB-CD1 3.51Å; K23-L26 WeakPolarHBondContact O-CD1 3.07Å; K23-L26 PolarHBondContact O-N 2.85Å
24E80.4Confident82Confident179 Ų17979.9 Ų79.984%0.83640%0.398SS*.THydrogen-bonded Turntrans-53.1133.2-179.6-65.4-172.6165.200112L26E24-L26 VanDerWaalsContact C-N 3.35Å
25G76.3Confident82Confident49 Ų4977.1 Ų77.151%0.50540%0.395SS..THydrogen-bonded Turntrans81.84.2178.800000115.6K23K23-G25 PolarHBondContact O-N 3.38Å
26L82.3Confident81.9Confident20 Ų2078 Ų7811%0.10540%0.4CS..PPolyproline II helixtrans-101.4150.9170.2-69117.7000111.9N9 C22 K23 E24 C33 V35N9-L26 HydrophobicContact CB-CD1 3.85Å; N9-L26 HydrophobicContact CB-CD2 3.53Å; N9-L26 HydrophobicContact CB-CG 4.32Å; C22-L26 HydrophobicContact CB-CB 4.26Å; K23-L26 HydrophobicContact CB-CD1 3.51Å; K23-L26 WeakPolarHBondContact O-CD1 3.07Å; K23-L26 PolarHBondContact O-N 2.85Å; E24-L26 VanDerWaalsContact C-N 3.35Å; L26-C33 HydrophobicContact CB-CB 4.36Å; L26-C33 HydrophobicContact CD2-CB 4.46Å; L26-V35 HydrophobicContact CD2-CG2 3.89Å
27Y82.2Confident81.8Confident79 Ų7971.4 Ų71.431%0.3138%0.38SS..EExtended strand (participates in β ladder)trans-91.2130.6176.8-56.3-83.9000111.7C33 Y34 V35 T43 M48 C50Y27-C33 CarbonylContact O-C 3.56Å; Y27-C33 WeakPolarHBondContact O-CA 3.26Å; Y27-Y34 PolarHBondContact N-O 2.78Å; Y27-Y34 PolarHBondContact O-N 2.65Å; Y27-V35 WeakPolarHBondContact CD2-O 3.23Å; Y27-V35 WeakPolarHBondContact CE2-O 3.09Å; Y27-T43 HydrophobicContact CD1-CG2 3.25Å; Y27-T43 HydrophobicContact CE1-CG2 3.28Å; Y27-T43 HydrophobicContact CG-CG2 4.41Å; Y27-M48 CarbonylContact C-O 3.43Å; Y27-M48 WeakPolarHBondContact CA-O 3.22Å; Y27-M48 HydrophobicContact CD1-CB 4.32Å; Y27-C50 WeakPolarHBondContact CB-SG 3.29Å
28S82.2Confident81.5Confident33 Ų3367.5 Ų67.523%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-84.6140.1172.146.20000111.1R32 M48 D49 C50S28-R32 CarbonylContact C-O 3.52Å; S28-R32 WeakPolarHBondContact CA-O 3.01Å; S28-M48 PolarHBondContact N-O 3.28Å; S28-M48 PolarHBondContact OG-O 2.99Å; S28-D49 VanDerWaalsContact CB-OD2 3.32Å; S28-D49 WeakPolarHBondContact CB-OD2 3.23Å; S28-D49 CarbonylContact O-C 3.55Å; S28-D49 WeakPolarHBondContact O-CA 3.35Å; S28-D49 PolarHBondContact OG-OD2 3.08Å; S28-C50 PolarHBondContact O-N 2.8Å
29H81.8Confident80.5Confident27 Ų2769.3 Ų69.313%0.12538%0.383CS..EExtended strand (participates in β ladder)trans-150.6122.4169.2-178.563.5000110.4G31 R32 Y34 K41 C50H29-G31 PolarHBondContact O-N 2.82Å; H29-G31 VanDerWaalsContact O-N 3.16Å; H29-R32 PolarHBondContact N-O 2.98Å; H29-R32 PolarHBondContact O-N 3.44Å; H29-Y34 HydrophobicContact CB-CD2 4.06Å; H29-Y34 HydrophobicContact CB-CE2 4Å; H29-K41 PolarHBondContact CD2-NZ 2.93Å; H29-K41 PolarHBondContact CE1-NZ 2.98Å; H29-K41 VanDerWaalsContact CE1-NZ 3.31Å; H29-K41 PolarHBondContact NE2-NZ 3.2Å; H29-C50 HydrophobicContact CB-CB 4.1Å; H29-C50 PolarHBondContact ND1-O 3.31Å
30S78.9Confident79.4Confident90 Ų9071.3 Ų71.363%0.62941%0.405SS*.THydrogen-bonded Turntrans49.839.4178.2-60.70000113.4
31G79.3Confident78.3Confident9 Ų970.1 Ų70.19%0.09339%0.393CS..THydrogen-bonded Turntrans75.619.3-179.400000115.2C19 H29C19-G31 WeakPolarHBondContact CB-O 3.24Å; C19-G31 PolarHBondContact N-O 2.87Å; H29-G31 PolarHBondContact O-N 2.82Å; H29-G31 VanDerWaalsContact O-N 3.16Å
32R83.4Confident77.4Confident138 Ų13870.5 Ų70.552%0.52140%0.396SS..EExtended strand (participates in β ladder)trans-127.2153.5171.9-66.7-176.3178.7-176.8-1.1111.1S28 H29 Y34S28-R32 CarbonylContact C-O 3.52Å; S28-R32 WeakPolarHBondContact CA-O 3.01Å; H29-R32 PolarHBondContact N-O 2.98Å; H29-R32 PolarHBondContact O-N 3.44Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å
33C86.3Confident76.4Confident11 Ų1172.1 Ų72.17%0.07441%0.405CS..EExtended strand (participates in β ladder)trans-106.3133.8-177.8-52.10000111N9 C19 C22 L26 Y27N9-C33 HydrophobicContact CB-CB 3.99Å; N9-C33 PolarHBondContact O-SG 2.96Å; N9-C33 VanDerWaalsContact O-SG 3.39Å; C19-C33 PolarHBondContact SG-SG 3.38Å; C22-C33 WeakPolarHBondContact CA-SG 3.33Å; C22-C33 HydrophobicContact CB-CB 3.76Å; C22-C33 WeakPolarHBondContact CB-SG 2.99Å; C22-C33 VanDerWaalsContact SG-CA 3.51Å; C22-C33 WeakPolarHBondContact SG-CB 2.99Å; C22-C33 CovalentContact SG-SG 2.02Å; C22-C33 PolarHBondContact SG-SG 3.29Å; L26-C33 HydrophobicContact CB-CB 4.36Å; L26-C33 HydrophobicContact CD2-CB 4.46Å; Y27-C33 CarbonylContact O-C 3.56Å; Y27-C33 WeakPolarHBondContact O-CA 3.26Å
34Y82.8Confident75.2Confident85 Ų8569.6 Ų69.633%0.33340%0.403SS..EExtended strand (participates in β ladder)trans-130.1144.7-177.7-63.6-84.8000110.7Y27 H29 R32 S36Y27-Y34 PolarHBondContact N-O 2.78Å; Y27-Y34 PolarHBondContact O-N 2.65Å; H29-Y34 HydrophobicContact CB-CD2 4.06Å; H29-Y34 HydrophobicContact CB-CE2 4Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å; Y34-S36 WeakPolarHBondContact CB-O 3.44Å; Y34-S36 PolarHBondContact O-N 3.08Å
35V82.7Confident73.9Confident115 Ų11567.9 Ų67.970%0.69740%0.4SS*.SBendtrans-70.2-25.5177.4-177.90000111.2L26 Y27L26-V35 HydrophobicContact CD2-CG2 3.89Å; Y27-V35 WeakPolarHBondContact CD2-O 3.23Å; Y27-V35 WeakPolarHBondContact CE2-O 3.09Å
36S77Confident72.9Confident81 Ų8173.9 Ų73.957%0.56642%0.421SS*.SBendtrans-147.1152.4174.756.70000110.3Y34Y34-S36 WeakPolarHBondContact CB-O 3.44Å; Y34-S36 PolarHBondContact O-N 3.08Å
37C75.7Confident72.1Confident33 Ų3376.8 Ų76.822%0.22344%0.439CS..PPolyproline II helixtrans-62.3134.4175.7-69.20000111.2K41 C50C37-K41 WeakPolarHBondContact CB-O 3.44Å; C37-C50 WeakPolarHBondContact CA-SG 3.17Å; C37-C50 HydrophobicContact CB-CB 3.89Å; C37-C50 WeakPolarHBondContact CB-SG 3.33Å; C37-C50 WeakPolarHBondContact SG-CB 3.41Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.25Å
38P72.8Confident71.5Confident36 Ų3678 Ų7823%0.23445%0.449CS..PPolyproline II helixtrans-64.5157.2176.328.2-35.1000111.3G40 K41P38-G40 PolarHBondContact O-N 3.5Å; P38-K41 HydrophobicContact CG-CB 4.36Å; P38-K41 HydrophobicContact CG-CD 3.75Å; P38-K41 HydrophobicContact CG-CG 4.12Å; P38-K41 PolarHBondContact O-N 2.55Å; P38-K41 VanDerWaalsContact O-N 3.08Å
39P62Low71.2Confident137 Ų13778.6 Ų78.689%0.8945%0.45SS*.THydrogen-bonded Turntrans-57128.7-175.622.3-33000111.6
40G61.3Low70.9Confident50 Ų5077.3 Ų77.352%0.51544%0.444SS..THydrogen-bonded Turntrans90.72.8-17800000115.2P38P38-G40 PolarHBondContact O-N 3.5Å
41K62.1Low70.2Confident63 Ų6376.6 Ų76.627%0.27443%0.433SS..  trans-118.6143.1171.6-51-168.8-170.61670109.4H29 C37 P38 C50H29-K41 PolarHBondContact CD2-NZ 2.93Å; H29-K41 PolarHBondContact CE1-NZ 2.98Å; H29-K41 VanDerWaalsContact CE1-NZ 3.31Å; H29-K41 PolarHBondContact NE2-NZ 3.2Å; C37-K41 WeakPolarHBondContact CB-O 3.44Å; P38-K41 HydrophobicContact CG-CB 4.36Å; P38-K41 HydrophobicContact CG-CD 3.75Å; P38-K41 HydrophobicContact CG-CG 4.12Å; P38-K41 PolarHBondContact O-N 2.55Å; P38-K41 VanDerWaalsContact O-N 3.08Å; K41-C50 HydrophobicContact CB-CB 4.1Å
42H64.7Low69Low122 Ų12278.3 Ų78.357%0.56545%0.451SS*.EExtended strand (participates in β ladder)trans-130.6150.2178.1-71.1-84.4000108.8A44 D51H42-A44 PolarHBondContact O-N 2.86Å; H42-D51 PolarHBondContact N-O 2.71Å; H42-D51 PolarHBondContact O-N 3.26Å
43T65.1Low67.6Low55 Ų5577.6 Ų77.634%0.33745%0.453SS..EExtended strand (participates in β ladder)trans-67.8127.3169.647.20000110.1Y27 N45 T47 D49Y27-T43 HydrophobicContact CD1-CG2 3.25Å; Y27-T43 HydrophobicContact CE1-CG2 3.28Å; Y27-T43 HydrophobicContact CG-CG2 4.41Å; T43-N45 PolarHBondContact O-N 3.31Å; T43-T47 VanDerWaalsContact CB-O 3.29Å; T43-T47 WeakPolarHBondContact CB-O 3.48Å; T43-T47 WeakPolarHBondContact CG2-O 3.39Å; T43-D49 WeakPolarHBondContact CA-O 3.44Å
44A58.9Low65.7Low49 Ų4982.9 Ų82.941%0.40548%0.476SS..  trans-63.6132.9166.200000108.6H42 N46 T47H42-A44 PolarHBondContact O-N 2.86Å; A44-N46 PolarHBondContact O-N 3.06Å; A44-N46 VanDerWaalsContact O-N 3.14Å; A44-T47 PolarHBondContact O-N 2.72Å
45N55Low64.1Low144 Ų14481.2 Ų81.277%0.7748%0.48SS*.THydrogen-bonded Turntrans-30.4114.2-174.1-65.5-48.6000113.2T43 T47T43-N45 PolarHBondContact O-N 3.31Å; N45-T47 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 3.21Å
46N54.9Low62.4Low175 Ų17579.5 Ų79.594%0.93647%0.473SS*.THydrogen-bonded Turntrans70.18178.2-56.2-26.2000117.9A44A44-N46 PolarHBondContact O-N 3.06Å; A44-N46 VanDerWaalsContact O-N 3.14Å
47T64.5Low61Low81 Ų8182.1 Ų82.150%0.49748%0.477SS..  trans-110135.1174.2-48.90000110.4T43 A44 N45 D49T43-T47 VanDerWaalsContact CB-O 3.29Å; T43-T47 WeakPolarHBondContact CB-O 3.48Å; T43-T47 WeakPolarHBondContact CG2-O 3.39Å; A44-T47 PolarHBondContact O-N 2.72Å; N45-T47 VanDerWaalsContact C-N 3.34Å; N45-T47 PolarHBondContact O-N 3.21Å; T47-D49 HydrophobicContact CG2-CB 3.94Å; T47-D49 PolarHBondContact O-N 2.96Å
48M70.3Confident60.3Low105 Ų10581.9 Ų81.952%0.51748%0.475SS..SBendtrans-7726.6173.6-67.6-175.7172.200112.6Y27 S28Y27-M48 CarbonylContact C-O 3.43Å; Y27-M48 WeakPolarHBondContact CA-O 3.22Å; Y27-M48 HydrophobicContact CD1-CB 4.32Å; S28-M48 PolarHBondContact N-O 3.28Å; S28-M48 PolarHBondContact OG-O 2.99Å
49D75.3Confident59.8Low45 Ų4586.1 Ų86.124%0.24149%0.492CS..BIsolated β-bridgetrans-106122.9175.4-152.4-81000109.1S28 T43 T47 D51S28-D49 VanDerWaalsContact CB-OD2 3.32Å; S28-D49 WeakPolarHBondContact CB-OD2 3.23Å; S28-D49 CarbonylContact O-C 3.55Å; S28-D49 WeakPolarHBondContact O-CA 3.35Å; S28-D49 PolarHBondContact OG-OD2 3.08Å; T43-D49 WeakPolarHBondContact CA-O 3.44Å; T47-D49 HydrophobicContact CG2-CB 3.94Å; T47-D49 PolarHBondContact O-N 2.96Å; D49-D51 PolarHBondContact O-N 3.43Å; D49-D51 VanDerWaalsContact O-N 3.16Å
50C75.3Confident60.1Low0 Ų080.9 Ų80.90%046%0.456CS..EExtended strand (participates in β ladder)trans-81.888177.3-58.10000108.9Y27 S28 H29 C37 K41Y27-C50 WeakPolarHBondContact CB-SG 3.29Å; S28-C50 PolarHBondContact O-N 2.8Å; H29-C50 HydrophobicContact CB-CB 4.1Å; H29-C50 PolarHBondContact ND1-O 3.31Å; C37-C50 WeakPolarHBondContact CA-SG 3.17Å; C37-C50 HydrophobicContact CB-CB 3.89Å; C37-C50 WeakPolarHBondContact CB-SG 3.33Å; C37-C50 WeakPolarHBondContact SG-CB 3.41Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.25Å; K41-C50 HydrophobicContact CB-CB 4.1Å
51D65.4Low60.7Low74 Ų7478.9 Ų78.940%0.39644%0.435SS..EExtended strand (participates in β ladder)trans-76.8142.5172.6-76.9-52.2000111.3H42 D49 H53H42-D51 PolarHBondContact N-O 2.71Å; H42-D51 PolarHBondContact O-N 3.26Å; D49-D51 PolarHBondContact O-N 3.43Å; D49-D51 VanDerWaalsContact O-N 3.16Å; D51-H53 PolarHBondContact O-N 3.38Å; D51-H53 VanDerWaalsContact O-N 3.13Å
52G54.1Low61.8Low46 Ų4684.5 Ų84.547%0.47446%0.463SS..  trans-76.314.5179.500000114.1H54G52-H54 VanDerWaalsContact C-N 3.34Å; G52-H54 PolarHBondContact O-N 3.45Å
53H52.3Low62.9Low123 Ų12381.4 Ų81.457%0.56945%0.446SS*.  trans-75.195.1176-80.5-102.7000108.3D51 E57D51-H53 PolarHBondContact O-N 3.38Å; D51-H53 VanDerWaalsContact O-N 3.13Å; H53-E57 IonicContact CE1-OE1 3.09Å; H53-E57 IonicContact CE1-OE2 2.65Å; H53-E57 IonicContact CG-OE2 3.91Å; H53-E57 IonicContact ND1-OE1 3.08Å; H53-E57 PolarHBondContact ND1-OE1 3.34Å; H53-E57 IonicContact ND1-OE2 2.78Å; H53-E57 PolarHBondContact ND1-OE2 2.75Å
54H48.2Very low64Low121 Ų12181.4 Ų81.456%0.5645%0.448SS*.  trans-45.6141.6167.8-177.4-111000109.2G52 S56 E57G52-H54 VanDerWaalsContact C-N 3.34Å; G52-H54 PolarHBondContact O-N 3.45Å; H54-S56 WeakPolarHBondContact CB-OG 3.43Å; H54-S56 WeakPolarHBondContact ND1-CB 3.26Å; H54-S56 PolarHBondContact ND1-N 2.81Å; H54-S56 PolarHBondContact ND1-OG 3.19Å; H54-S56 PolarHBondContact O-N 3.29Å; H54-S56 PolarHBondContact O-OG 1.99Å; H54-E57 PolarHBondContact O-N 3.49Å
55A48.7Very low65.5Low50 Ų5087.6 Ų87.641%0.41347%0.469SS..G310 helixtrans-57.28.2172.200000114.3E57 C58A55-E57 PolarHBondContact O-N 3.24Å; A55-C58 PolarHBondContact O-N 2.98Å
56S46.5Very low67.3Low80 Ų8083.5 Ų83.556%0.55944%0.443SS*.G310 helixtrans-68.7-12.9166.847.80000114.5H54 C58H54-S56 WeakPolarHBondContact CB-OG 3.43Å; H54-S56 WeakPolarHBondContact ND1-CB 3.26Å; H54-S56 PolarHBondContact ND1-N 2.81Å; H54-S56 PolarHBondContact ND1-OG 3.19Å; H54-S56 PolarHBondContact O-N 3.29Å; H54-S56 PolarHBondContact O-OG 1.99Å; S56-C58 PolarHBondContact O-N 2.66Å
57E47.2Very low69Low135 Ų13577 Ų7763%0.63141%0.411SS*.G310 helixtrans-86.523.5168.3-76180166.700112.2H53 H54 A55 E59H53-E57 IonicContact CE1-OE1 3.09Å; H53-E57 IonicContact CE1-OE2 2.65Å; H53-E57 IonicContact CG-OE2 3.91Å; H53-E57 IonicContact ND1-OE1 3.08Å; H53-E57 PolarHBondContact ND1-OE1 3.34Å; H53-E57 IonicContact ND1-OE2 2.78Å; H53-E57 PolarHBondContact ND1-OE2 2.75Å; H54-E57 PolarHBondContact O-N 3.49Å; A55-E57 PolarHBondContact O-N 3.24Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 2.79Å
58C60.6Low70.3Confident29 Ų2977.2 Ų77.220%0.19642%0.415CS..SBendtrans-65.4106.4150.6-175.80000107.6A55 S56 L60 C108A55-C58 PolarHBondContact O-N 2.98Å; S56-C58 PolarHBondContact O-N 2.66Å; C58-L60 PolarHBondContact O-N 3.13Å; C58-C108 HydrophobicContact CB-CB 3.75Å; C58-C108 WeakPolarHBondContact CB-SG 3.04Å; C58-C108 WeakPolarHBondContact SG-CB 3.21Å; C58-C108 CovalentContact SG-SG 1.99Å; C58-C108 PolarHBondContact SG-SG 2.81Å
59E62.3Low71.3Confident124 Ų12472.8 Ų72.858%0.57940%0.395SS*.  trans-61.598.1177.4-163.5176.5165.900109E57 L90E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 2.79Å; E59-L90 HydrophobicContact CG-CD1 4.07Å; E59-L90 WeakPolarHBondContact O-CB 3.06Å; E59-L90 PolarHBondContact O-N 2.65Å
60L68.7Low72Confident27 Ų2773.7 Ų73.714%0.14140%0.398CS..BIsolated β-bridgetrans-71.9132.5172.6-64.7169.2000107.5C58 R87 P89 E111C58-L60 PolarHBondContact O-N 3.13Å; L60-R87 HydrophobicContact CB-CG 3.97Å; L60-R87 HydrophobicContact CD1-CG 4.04Å; L60-R87 VanDerWaalsContact CD1-NE 3.29Å; L60-R87 HydrophobicContact CG-CG 4.48Å; L60-P89 HydrophobicContact CD2-CB 4.36Å; L60-P89 HydrophobicContact CD2-CG 3.97Å; L60-E111 HydrophobicContact CD1-CB 4.09Å; L60-E111 HydrophobicContact CD1-CG 3.5Å; L60-E111 WeakPolarHBondContact CD1-OE1 3.02Å
61G74.3Confident72.6Confident8 Ų878.9 Ų78.98%0.08242%0.421CS..  trans-66.7-175.5-178.100000113.1W63 S88 L90G61-W63 PolarHBondContact O-N 2.81Å; G61-S88 PolarHBondContact N-O 3.16Å; G61-L90 VanDerWaalsContact CA-CD2 3.45Å; G61-L90 VanDerWaalsContact CA-CG 3.44Å
62E86.3Confident73.4Confident181 Ų18184 Ų8485%0.84644%0.44SS*.PPolyproline II helixtrans-56.9135.3175.4-168.5179.9168.800110.4
63W86.3Confident74.8Confident58 Ų5889 Ų8922%0.2246%0.455CS..PPolyproline II helixtrans-63.3139.8176.2-74.2102.3000112.1G61 R85 R87 E111 E113G61-W63 PolarHBondContact O-N 2.81Å; W63-R85 HydrophobicContact CB-CG 4.16Å; W63-R85 HydrophobicContact CE3-CB 4.21Å; W63-R85 HydrophobicContact CE3-CG 3.9Å; W63-R85 PolarHBondContact O-NH2 3.15Å; W63-R87 HydrophobicContact CB-CB 4.38Å; W63-R87 HydrophobicContact CD2-CB 3.74Å; W63-R87 HydrophobicContact CD2-CG 3.77Å; W63-R87 HydrophobicContact CE3-CB 3.62Å; W63-R87 HydrophobicContact CE3-CG 3.67Å; W63-R87 HydrophobicContact CG-CB 4.05Å; W63-R87 HydrophobicContact CG-CG 4.44Å; W63-R87 HydrophobicContact CH2-CG 3.8Å; W63-R87 HydrophobicContact CZ2-CG 3.95Å; W63-R87 HydrophobicContact CZ3-CB 4.1Å; W63-R87 HydrophobicContact CZ3-CG 3.68Å; W63-E111 HydrophobicContact CH2-CB 4.01Å; W63-E111 HydrophobicContact CZ3-CB 4.46Å; W63-E113 HydrophobicContact CH2-CB 3.72Å; W63-E113 HydrophobicContact CZ2-CB 4.49Å; W63-E113 HydrophobicContact CZ3-CB 3.75Å
64S89Confident76.3Confident54 Ų5489.3 Ų89.338%0.37846%0.455SS..PPolyproline II helixtrans-57.1170176.575.40000113.1R85 V86S64-R85 WeakPolarHBondContact O-CD 2.97Å; S64-R85 WeakPolarHBondContact O-CG 3.45Å; S64-R85 VanDerWaalsContact O-CZ 3.32Å; S64-R85 PolarHBondContact O-NE 3.32Å; S64-R85 PolarHBondContact O-NH2 1.97Å; S64-V86 WeakPolarHBondContact CB-O 3.15Å; S64-V86 PolarHBondContact N-O 2.89Å; S64-V86 PolarHBondContact OG-N 2.82Å; S64-V86 PolarHBondContact OG-O 3.2Å
65Q91.1Very high78.1Confident180 Ų18087.8 Ų87.884%0.84146%0.455SS*.PPolyproline II helixtrans-65.8154.6166.4-70.8177.2-18.700111.6
66W91.3Very high79.9Confident58 Ų5886.7 Ų86.722%0.2244%0.444CS..PPolyproline II helixtrans-67135.2173.5-77.398.6000110.7Q83 R85 E113 R115W66-Q83 HydrophobicContact CE3-CB 3.76Å; W66-Q83 HydrophobicContact CZ3-CB 4.38Å; W66-R85 HydrophobicContact CD2-CB 3.8Å; W66-R85 HydrophobicContact CD2-CG 4.32Å; W66-R85 HydrophobicContact CE3-CB 3.65Å; W66-R85 HydrophobicContact CG-CB 4.43Å; W66-R85 HydrophobicContact CH2-CB 4.09Å; W66-R85 HydrophobicContact CZ2-CB 4.24Å; W66-R85 HydrophobicContact CZ3-CB 3.78Å; W66-E113 HydrophobicContact CH2-CB 3.96Å; W66-E113 HydrophobicContact CH2-CG 3.73Å; W66-E113 HydrophobicContact CZ2-CG 4.4Å; W66-E113 WeakPolarHBondContact CZ2-OE2 3.37Å; W66-R115 VanDerWaalsContact CB-NH2 3.3Å; W66-R115 HydrophobicContact CD2-CG 4.33Å; W66-R115 VanDerWaalsContact CE2-NH1 3.33Å; W66-R115 HydrophobicContact CE3-CG 3.78Å; W66-R115 HydrophobicContact CH2-CB 3.82Å; W66-R115 HydrophobicContact CH2-CG 3.66Å; W66-R115 HydrophobicContact CZ2-CG 4.22Å; W66-R115 HydrophobicContact CZ3-CB 3.95Å; W66-R115 HydrophobicContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact NE1-CZ 3.3Å
67S90.9Very high81.6Confident39 Ų3984.6 Ų84.627%0.27344%0.435SS..PPolyproline II helixtrans-62.9160.8174.677.70000112.1Q83 T84S67-Q83 WeakPolarHBondContact O-CB 3.07Å; S67-Q83 WeakPolarHBondContact O-CG 3.4Å; S67-Q83 PolarHBondContact O-NE2 2.95Å; S67-Q83 WeakPolarHBondContact OG-CA 3.3Å; S67-T84 WeakPolarHBondContact CB-O 3.48Å; S67-T84 PolarHBondContact N-O 3.07Å; S67-T84 PolarHBondContact OG-N 3Å; S67-T84 PolarHBondContact OG-O 2.98Å
68S91.3Very high83.5Confident84 Ų8478.9 Ų78.959%0.58741%0.407SS*.PPolyproline II helixtrans-53149.5165.4-67.90000111.1M70S68-M70 WeakPolarHBondContact O-CG 3.04Å; S68-M70 PolarHBondContact O-N 2.77Å
69C92.1Very high84.7Confident12 Ų1284.2 Ų84.28%0.08143%0.427CS..PPolyproline II helixtrans-63.6127.5174-169.40000108.8F78 Q83 C117 V119C69-F78 HydrophobicContact CB-CE2 4.35Å; C69-F78 VanDerWaalsContact O-CZ 3.24Å; C69-F78 WeakPolarHBondContact O-CZ 3.42Å; C69-Q83 HydrophobicContact CB-CG 4.25Å; C69-C117 WeakPolarHBondContact CA-SG 3.29Å; C69-C117 HydrophobicContact CB-CB 3.85Å; C69-C117 WeakPolarHBondContact CB-SG 3.46Å; C69-C117 WeakPolarHBondContact SG-CB 3.48Å; C69-C117 CovalentContact SG-SG 2.01Å; C69-C117 PolarHBondContact SG-SG 3.45Å; C69-V119 HydrophobicContact CB-CG1 3.57Å
70M90.1Very high86Confident64 Ų6485.6 Ų85.632%0.31543%0.431SS..BIsolated β-bridgetrans-134.7147.5-176.2-64.8168.486.400111.5S68 K74 T75 G81 S82S68-M70 WeakPolarHBondContact O-CG 3.04Å; S68-M70 PolarHBondContact O-N 2.77Å; M70-K74 CarbonylContact C-O 3.56Å; M70-K74 VanDerWaalsContact CA-O 3.29Å; M70-K74 WeakPolarHBondContact CA-O 3.43Å; M70-T75 HydrophobicContact CG-CG2 3.82Å; M70-G81 CarbonylContact O-C 3.52Å; M70-G81 WeakPolarHBondContact O-CA 3.03Å; M70-S82 PolarHBondContact N-O 2.78Å; M70-S82 PolarHBondContact O-N 3.42Å
71K87.3Confident87.1Confident109 Ų10984.9 Ų84.947%0.47443%0.431SS..BIsolated β-bridgetrans-134122.6169.3-169.7-175.3-169.2168.60109.3N73 K74 F78 K80K71-N73 VanDerWaalsContact C-N 3.27Å; K71-N73 PolarHBondContact O-N 3.29Å; K71-K74 PolarHBondContact N-O 2.03Å; K71-K74 PolarHBondContact O-N 3.38Å; K71-K74 VanDerWaalsContact O-N 3.1Å; K71-F78 HydrophobicContact CB-CB 3.9Å; K71-F78 HydrophobicContact CB-CD1 3.58Å; K71-F78 HydrophobicContact CB-CD2 3.92Å; K71-F78 HydrophobicContact CB-CE1 4.13Å; K71-F78 HydrophobicContact CB-CE2 4.42Å; K71-F78 HydrophobicContact CB-CG 3.5Å; K71-F78 VanDerWaalsContact CB-CG 3.5Å; K71-F78 HydrophobicContact CD-CB 3.58Å; K71-F78 HydrophobicContact CD-CG 4.15Å; K71-F78 HydrophobicContact CG-CB 4.37Å; K71-F78 HydrophobicContact CG-CG 4.46Å; K71-K80 WeakPolarHBondContact CD-O 3.35Å
72K82.6Confident87.9Confident183 Ų18386.3 Ų86.380%0.79644%0.44SS*.THydrogen-bonded Turntrans51.646.2-175.2-60.2-177.7173-172.60112.2K74K72-K74 PolarHBondContact O-N 3.16Å; K72-K74 VanDerWaalsContact O-N 3.07Å
73N84.1Confident88.2Confident149 Ų14979.4 Ų79.480%0.79741%0.407SS*.THydrogen-bonded Turntrans61.514.2-179.1-56.846.4000114.9K71K71-N73 VanDerWaalsContact C-N 3.27Å; K71-N73 PolarHBondContact O-N 3.29Å
74K83.7Confident88.5Confident131 Ų13178.8 Ų78.857%0.5741%0.41SS*.BIsolated β-bridgetrans-110.2147.9174.8-60.9-174.1-179.4-163.20109.9M70 K71 K72 F78M70-K74 CarbonylContact C-O 3.56Å; M70-K74 VanDerWaalsContact CA-O 3.29Å; M70-K74 WeakPolarHBondContact CA-O 3.43Å; K71-K74 PolarHBondContact N-O 2.03Å; K71-K74 PolarHBondContact O-N 3.38Å; K71-K74 VanDerWaalsContact O-N 3.1Å; K72-K74 PolarHBondContact O-N 3.16Å; K72-K74 VanDerWaalsContact O-N 3.07Å; K74-F78 WeakPolarHBondContact O-CE1 2.86Å
75T86.3Confident88.6Confident89 Ų8978.9 Ų78.955%0.54640%0.402SS..SBendtrans-102.60.3175.351.40000113.1M70M70-T75 HydrophobicContact CG-CG2 3.82Å
76C85.1Confident88.6Confident27 Ų2773.1 Ų73.118%0.18238%0.379CS..SBendtrans-123.6160.2-179.6630000112.2F78 C124C76-F78 VanDerWaalsContact O-CD1 3.26Å; C76-F78 WeakPolarHBondContact O-CD1 3.24Å; C76-F78 PolarHBondContact O-N 3.28Å; C76-C124 HydrophobicContact CB-CB 3.89Å; C76-C124 WeakPolarHBondContact CB-SG 3.4Å; C76-C124 PolarHBondContact O-SG 3.43Å; C76-C124 WeakPolarHBondContact SG-CA 3.26Å; C76-C124 WeakPolarHBondContact SG-CB 3.39Å; C76-C124 CovalentContact SG-SG 2.03Å; C76-C124 PolarHBondContact SG-SG 3.23Å
77G84.1Confident88.4Confident36 Ų3673.6 Ų73.637%0.37138%0.381SS..SBendtrans80.44.9168.500000116.1T122G77-T122 WeakPolarHBondContact CA-O 3.39Å; G77-T122 PolarHBondContact N-O 3.1Å
78F85.5Confident87.9Confident14 Ų1475.2 Ų75.26%0.06139%0.392CS..  trans-124.4158.3177.762.2-88000112.5C69 K71 K74 C76 K80 V119C69-F78 HydrophobicContact CB-CE2 4.35Å; C69-F78 VanDerWaalsContact O-CZ 3.24Å; C69-F78 WeakPolarHBondContact O-CZ 3.42Å; K71-F78 HydrophobicContact CB-CB 3.9Å; K71-F78 HydrophobicContact CB-CD1 3.58Å; K71-F78 HydrophobicContact CB-CD2 3.92Å; K71-F78 HydrophobicContact CB-CE1 4.13Å; K71-F78 HydrophobicContact CB-CE2 4.42Å; K71-F78 HydrophobicContact CB-CG 3.5Å; K71-F78 VanDerWaalsContact CB-CG 3.5Å; K71-F78 HydrophobicContact CD-CB 3.58Å; K71-F78 HydrophobicContact CD-CG 4.15Å; K71-F78 HydrophobicContact CG-CB 4.37Å; K71-F78 HydrophobicContact CG-CG 4.46Å; K74-F78 WeakPolarHBondContact O-CE1 2.86Å; C76-F78 VanDerWaalsContact O-CD1 3.26Å; C76-F78 WeakPolarHBondContact O-CD1 3.24Å; C76-F78 PolarHBondContact O-N 3.28Å; F78-K80 WeakPolarHBondContact CD2-O 3.33Å; F78-V119 HydrophobicContact CD2-CG2 3.72Å; F78-V119 HydrophobicContact CE2-CG2 3.31Å; F78-V119 HydrophobicContact CZ-CG2 4.04Å
79K86.9Confident87.2Confident141 Ų14173 Ų7361%0.61338%0.376SS*.SBendtrans-101.5-25.7171.5-67.9-173.9176.6-172.40113.5V118 V119 K121K79-V118 CarbonylContact O-C 3.5Å; K79-V118 VanDerWaalsContact O-CA 3.23Å; K79-V118 WeakPolarHBondContact O-CA 3.36Å; K79-V118 VanDerWaalsContact O-CG1 3.27Å; K79-V118 WeakPolarHBondContact O-CG1 3.39Å; K79-V119 WeakPolarHBondContact CA-O 3.48Å; K79-V119 PolarHBondContact O-N 3.03Å; K79-K121 HydrophobicContact CG-CB 3.99Å
80K89.1Confident86Confident153 Ų15376 Ų7667%0.66539%0.391SS*.EExtended strand (participates in β ladder)trans-128128.4-178.7-62.1-176.8179.4-179.60108.7K71 F78 C117 V118K71-K80 WeakPolarHBondContact CD-O 3.35Å; F78-K80 WeakPolarHBondContact CD2-O 3.33Å; K80-C117 CarbonylContact C-O 3.57Å; K80-C117 WeakPolarHBondContact CA-O 3.37Å; K80-V118 HydrophobicContact CG-CG2 4.35Å
81G91.3Very high84.4Confident13 Ų1377.9 Ų77.913%0.13441%0.408CS..EExtended strand (participates in β ladder)trans-138.9-165.9178.900000111.8M70 C117M70-G81 CarbonylContact O-C 3.52Å; M70-G81 WeakPolarHBondContact O-CA 3.03Å; G81-C117 PolarHBondContact N-O 3.32Å; G81-C117 PolarHBondContact O-N 3.11Å; G81-C117 PolarHBondContact O-SG 2.83Å; G81-C117 VanDerWaalsContact O-SG 3.41Å
82S92.1Very high82.9Confident38 Ų3877.5 Ų77.527%0.26641%0.408SS..EExtended strand (participates in β ladder)trans-129.2146.3171.853.60000110.7M70 R115 C117M70-S82 PolarHBondContact N-O 2.78Å; M70-S82 PolarHBondContact O-N 3.42Å; S82-R115 CarbonylContact C-O 3.51Å; S82-R115 VanDerWaalsContact CA-O 3.23Å; S82-R115 WeakPolarHBondContact CA-O 3.41Å; S82-C117 VanDerWaalsContact C-SG 3.53Å; S82-C117 PolarHBondContact N-SG 3.07Å; S82-C117 VanDerWaalsContact N-SG 3.38Å
83Q93.1Very high81.1Confident35 Ų3576.3 Ų76.316%0.16441%0.409CS..EExtended strand (participates in β ladder)trans-110.6147.4165.7-62.2-177.6-25.100108.7W66 S67 C69 R114 R115 C117W66-Q83 HydrophobicContact CE3-CB 3.76Å; W66-Q83 HydrophobicContact CZ3-CB 4.38Å; S67-Q83 WeakPolarHBondContact O-CB 3.07Å; S67-Q83 WeakPolarHBondContact O-CG 3.4Å; S67-Q83 PolarHBondContact O-NE2 2.95Å; S67-Q83 WeakPolarHBondContact OG-CA 3.3Å; C69-Q83 HydrophobicContact CB-CG 4.25Å; Q83-R114 CarbonylContact O-C 3.51Å; Q83-R114 WeakPolarHBondContact O-CA 3.41Å; Q83-R115 HydrophobicContact CB-CG 3.96Å; Q83-R115 PolarHBondContact N-O 3.07Å; Q83-R115 PolarHBondContact O-N 2.73Å; Q83-C117 HydrophobicContact CG-CB 4.08Å
84T91.9Very high79.3Confident45 Ų4576.1 Ų76.128%0.27640%0.403SS..EExtended strand (participates in β ladder)trans-122.8140.6178.3-53.40000109S67 T112 E113S67-T84 WeakPolarHBondContact CB-O 3.48Å; S67-T84 PolarHBondContact N-O 3.07Å; S67-T84 PolarHBondContact OG-N 3Å; S67-T84 PolarHBondContact OG-O 2.98Å; T84-T112 HydrophobicContact CG2-CG2 3.3Å; T84-E113 CarbonylContact C-O 3.56Å; T84-E113 VanDerWaalsContact CA-O 3.23Å; T84-E113 WeakPolarHBondContact CA-O 3.44Å
85R91.9Very high77.3Confident57 Ų5775 Ų7522%0.21541%0.411CS..EExtended strand (participates in β ladder)trans-127.2146.3173.2-162.3-178.4-171.8-171.1-4.6107.8W63 S64 W66 T112 E113W63-R85 HydrophobicContact CB-CG 4.16Å; W63-R85 HydrophobicContact CE3-CB 4.21Å; W63-R85 HydrophobicContact CE3-CG 3.9Å; W63-R85 PolarHBondContact O-NH2 3.15Å; S64-R85 WeakPolarHBondContact O-CD 2.97Å; S64-R85 WeakPolarHBondContact O-CG 3.45Å; S64-R85 VanDerWaalsContact O-CZ 3.32Å; S64-R85 PolarHBondContact O-NE 3.32Å; S64-R85 PolarHBondContact O-NH2 1.97Å; W66-R85 HydrophobicContact CD2-CB 3.8Å; W66-R85 HydrophobicContact CD2-CG 4.32Å; W66-R85 HydrophobicContact CE3-CB 3.65Å; W66-R85 HydrophobicContact CG-CB 4.43Å; W66-R85 HydrophobicContact CH2-CB 4.09Å; W66-R85 HydrophobicContact CZ2-CB 4.24Å; W66-R85 HydrophobicContact CZ3-CB 3.78Å; R85-T112 CarbonylContact O-C 3.52Å; R85-T112 WeakPolarHBondContact O-CA 3.15Å; R85-E113 HydrophobicContact CB-CB 4.45Å; R85-E113 PolarHBondContact N-O 2.91Å; R85-E113 PolarHBondContact O-N 2.88Å
86V89.4Confident75.5Confident59 Ų5977.9 Ų77.936%0.35843%0.428SS..EExtended strand (participates in β ladder)trans-127.8140.9179.8-177.90000108.8S64 P110 E111 T112S64-V86 WeakPolarHBondContact CB-O 3.15Å; S64-V86 PolarHBondContact N-O 2.89Å; S64-V86 PolarHBondContact OG-N 2.82Å; S64-V86 PolarHBondContact OG-O 3.2Å; V86-P110 HydrophobicContact CG1-CB 4.34Å; V86-E111 CarbonylContact C-O 3.58Å; V86-E111 VanDerWaalsContact CA-O 3.26Å; V86-E111 WeakPolarHBondContact CA-O 2.98Å; V86-E111 WeakPolarHBondContact CG1-O 3.35Å; V86-T112 HydrophobicContact CG2-CG2 4.23Å
87R87.5Confident73.7Confident67 Ų6783.4 Ų83.425%0.25346%0.456SS..EExtended strand (participates in β ladder)trans-121.1130.8166.362.3177.6174.1167.46.9109.5L60 W63 P110 E111L60-R87 HydrophobicContact CB-CG 3.97Å; L60-R87 HydrophobicContact CD1-CG 4.04Å; L60-R87 VanDerWaalsContact CD1-NE 3.29Å; L60-R87 HydrophobicContact CG-CG 4.48Å; W63-R87 HydrophobicContact CB-CB 4.38Å; W63-R87 HydrophobicContact CD2-CB 3.74Å; W63-R87 HydrophobicContact CD2-CG 3.77Å; W63-R87 HydrophobicContact CE3-CB 3.62Å; W63-R87 HydrophobicContact CE3-CG 3.67Å; W63-R87 HydrophobicContact CG-CB 4.05Å; W63-R87 HydrophobicContact CG-CG 4.44Å; W63-R87 HydrophobicContact CH2-CG 3.8Å; W63-R87 HydrophobicContact CZ2-CG 3.95Å; W63-R87 HydrophobicContact CZ3-CB 4.1Å; W63-R87 HydrophobicContact CZ3-CG 3.68Å; R87-P110 WeakPolarHBondContact O-CA 3.41Å; R87-E111 HydrophobicContact CG-CB 3.76Å; R87-E111 IonicContact CZ-OE1 3.74Å; R87-E111 IonicContact CZ-OE2 3.79Å; R87-E111 PolarHBondContact N-O 3.39Å; R87-E111 IonicContact NE-OE1 2.71Å; R87-E111 IonicContact NE-OE2 2.81Å; R87-E111 PolarHBondContact NE-OE2 2.87Å; R87-E111 IonicContact NH2-OE1 3.45Å; R87-E111 PolarHBondContact NH2-OE1 3.46Å; R87-E111 VanDerWaalsContact NH2-OE1 3.08Å; R87-E111 IonicContact NH2-OE2 3.72Å; R87-E111 PolarHBondContact NH2-OE2 3.14Å; R87-E111 PolarHBondContact O-N 3.19Å
88S81.8Confident71.8Confident73 Ų7387.4 Ų87.451%0.5147%0.474SS..PPolyproline II helixtrans-95.5153.917754.50000110.7G61 L90G61-S88 PolarHBondContact N-O 3.16Å; S88-L90 PolarHBondContact O-N 3.5Å
89P75.5Confident70.4Confident39 Ų3992 Ų9225%0.25351%0.508SS..BIsolated β-bridgetrans-52.9136.2167.8-24.436000111.4L60 C108L60-P89 HydrophobicContact CD2-CB 4.36Å; L60-P89 HydrophobicContact CD2-CG 3.97Å; P89-C108 HydrophobicContact CB-CB 4.09Å; P89-C108 WeakPolarHBondContact CB-SG 2.97Å; P89-C108 HydrophobicContact CG-CB 3.84Å; P89-C108 WeakPolarHBondContact CG-O 3.38Å; P89-C108 WeakPolarHBondContact CG-SG 3.32Å
90L66.1Low68.3Low73 Ų7391 Ų9138%0.38252%0.516SS..PPolyproline II helixtrans-67.7134.9165.7-69176.5000108.6E59 G61 S88 Q92E59-L90 HydrophobicContact CG-CD1 4.07Å; E59-L90 WeakPolarHBondContact O-CB 3.06Å; E59-L90 PolarHBondContact O-N 2.65Å; G61-L90 VanDerWaalsContact CA-CD2 3.45Å; G61-L90 VanDerWaalsContact CA-CG 3.44Å; S88-L90 PolarHBondContact O-N 3.5Å; L90-Q92 PolarHBondContact O-N 2.01Å
91P58.2Low65.9Low105 Ų10587.7 Ų87.768%0.68252%0.517SS*.  trans-61.7112.2167.824.5-29000107.3I93P91-I93 WeakPolarHBondContact O-CG1 2.93Å; P91-I93 PolarHBondContact O-N 3.18Å
92Q54.6Low63.8Low101 Ų10196.9 Ų96.947%0.47255%0.548SS..  trans-63.1100.5170.4-64.7-71.8-28.200106.7L90 H94L90-Q92 PolarHBondContact O-N 2.01Å; Q92-H94 WeakPolarHBondContact CB-NE2 2.95Å; Q92-H94 PolarHBondContact O-N 3.33Å
93I45.2Very low61.5Low158 Ų158101 Ų10181%0.8157%0.572SS**  trans-76.177.3176.8-36.4177.3000106.5P91 S95P91-I93 WeakPolarHBondContact O-CG1 2.93Å; P91-I93 PolarHBondContact O-N 3.18Å; I93-S95 PolarHBondContact O-N 3.28Å
94H47.1Very low59.2Low145 Ų145101.9 Ų101.967%0.67158%0.58SS**  trans-68.2106.9165.6-63.9-68.4000106.7Q92Q92-H94 WeakPolarHBondContact CB-NE2 2.95Å; Q92-H94 PolarHBondContact O-N 3.33Å
95S40.7Very low57.1Low108 Ų108104.4 Ų104.476%0.75560%0.6SS**  trans-50.8136.9177.845.30000111.5I93 D97I93-S95 PolarHBondContact O-N 3.28Å; S95-D97 PolarHBondContact O-N 3.01Å; S95-D97 VanDerWaalsContact O-N 3.16Å
96V49.6Very low55.2Low148 Ų148109.8 Ų109.890%0.89763%0.628SS**SBendtrans-53.8107.7178.8179.90000111.3
97D46.1Very low53.4Low143 Ų143112.2 Ų112.277%0.76564%0.643SS**  -164.5139.6128.3-162.643.4000108.9S95S95-D97 PolarHBondContact O-N 3.01Å; S95-D97 VanDerWaalsContact O-N 3.16Å
98T45.2Very low52.2Low121 Ų121110.4 Ų110.474%0.74264%0.64SS**SBendtrans80.685.2-173.3-36.10000115.1
99S54.3Low51.8Low111 Ų111110.3 Ų110.378%0.77664%0.644SS**  trans1994.8151.2171.40000116.3A101S99-A101 PolarHBondContact O-N 2.55Å
100P42.8Very low52Low120 Ų120112.4 Ų112.478%0.77966%0.657SS**  trans-84.2106.1173.931.8-26.9000108.5Y102P100-Y102 PolarHBondContact O-N 2.02Å
101A40.3Very low52.9Low83 Ų83112.7 Ų112.769%0.68666%0.657SS**  trans-53.3116.8147.900000105.8S99 V103S99-A101 PolarHBondContact O-N 2.55Å; A101-V103 PolarHBondContact O-N 3.39Å
102Y45.5Very low54.3Low205 Ų205112.1 Ų112.180%0.80465%0.651SS**  trans-55.190.9176178.5-97000108.5P100 P104P100-Y102 PolarHBondContact O-N 2.02Å; Y102-P104 HydrophobicContact CD1-CB 4.44Å; Y102-P104 HydrophobicContact CE1-CB 3.83Å; Y102-P104 HydrophobicContact CE1-CG 4.26Å; Y102-P104 WeakPolarHBondContact O-CD 3.2Å
103V44.6Very low56Low126 Ų126111.2 Ų111.276%0.76465%0.647SS**  trans-81.7104161-177.70000103.2A101 S105A101-V103 PolarHBondContact O-N 3.39Å; V103-S105 PolarHBondContact O-N 3.01Å
104P44.1Very low58.2Low52 Ų52112.7 Ų112.734%0.33864%0.642SS.*  trans-55.1125.8171.723.4-30.7000106.1Y102 Q106Y102-P104 HydrophobicContact CD1-CB 4.44Å; Y102-P104 HydrophobicContact CE1-CB 3.83Å; Y102-P104 HydrophobicContact CE1-CG 4.26Å; Y102-P104 WeakPolarHBondContact O-CD 3.2Å; P104-Q106 HydrophobicContact CB-CG 4.47Å; P104-Q106 HydrophobicContact CG-CG 4.33Å; P104-Q106 PolarHBondContact O-N 3.33Å
105S48.9Very low60.4Low98 Ų98110.8 Ų110.869%0.68563%0.629SS**  trans-60.580.2164.7-1780000107V103 T107V103-S105 PolarHBondContact O-N 3.01Å; S105-T107 PolarHBondContact O-N 2.81Å
106Q51.5Low62.9Low171 Ų171115.2 Ų115.280%0.79964%0.635SS**THydrogen-bonded Turntrans-80.14.9-166.3-130.8177.614.400111.9P104P104-Q106 HydrophobicContact CB-CG 4.47Å; P104-Q106 HydrophobicContact CG-CG 4.33Å; P104-Q106 PolarHBondContact O-N 3.33Å
107T52.9Low64.8Low110 Ų110109 Ų10968%0.67560%0.598SS**THydrogen-bonded Turntrans-125.3-4.7-169.227.90000114.6S105S105-T107 PolarHBondContact O-N 2.81Å
108C61.6Low67Low28 Ų28107.7 Ų107.719%0.18960%0.595CS.*  trans-97.899177.7-1600000112.6C58 P89C58-C108 HydrophobicContact CB-CB 3.75Å; C58-C108 WeakPolarHBondContact CB-SG 3.04Å; C58-C108 WeakPolarHBondContact SG-CB 3.21Å; C58-C108 CovalentContact SG-SG 1.99Å; C58-C108 PolarHBondContact SG-SG 2.81Å; P89-C108 HydrophobicContact CB-CB 4.09Å; P89-C108 WeakPolarHBondContact CB-SG 2.97Å; P89-C108 HydrophobicContact CG-CB 3.84Å; P89-C108 WeakPolarHBondContact CG-O 3.38Å; P89-C108 WeakPolarHBondContact CG-SG 3.32Å
109A72.4Confident69Low72 Ų72104.4 Ų104.460%0.59557%0.574SS**PPolyproline II helixtrans-87141.3178.600000111.5E111A109-E111 PolarHBondContact O-N 3.05Å
110P79.7Confident70.5Confident82 Ų82104.7 Ų104.753%0.53257%0.572SS.*PPolyproline II helixtrans-65.2136.1171.728.2-33.8000110.2V86 R87V86-P110 HydrophobicContact CG1-CB 4.34Å; R87-P110 WeakPolarHBondContact O-CA 3.41Å
111E84.8Confident72.3Confident80 Ų80105.5 Ų105.537%0.37456%0.563SS.*EExtended strand (participates in β ladder)trans-91.2141.7177-77.5-173.3-164.300111.5L60 W63 V86 R87 A109L60-E111 HydrophobicContact CD1-CB 4.09Å; L60-E111 HydrophobicContact CD1-CG 3.5Å; L60-E111 WeakPolarHBondContact CD1-OE1 3.02Å; W63-E111 HydrophobicContact CH2-CB 4.01Å; W63-E111 HydrophobicContact CZ3-CB 4.46Å; V86-E111 CarbonylContact C-O 3.58Å; V86-E111 VanDerWaalsContact CA-O 3.26Å; V86-E111 WeakPolarHBondContact CA-O 2.98Å; V86-E111 WeakPolarHBondContact CG1-O 3.35Å; R87-E111 HydrophobicContact CG-CB 3.76Å; R87-E111 IonicContact CZ-OE1 3.74Å; R87-E111 IonicContact CZ-OE2 3.79Å; R87-E111 PolarHBondContact N-O 3.39Å; R87-E111 IonicContact NE-OE1 2.71Å; R87-E111 IonicContact NE-OE2 2.81Å; R87-E111 PolarHBondContact NE-OE2 2.87Å; R87-E111 IonicContact NH2-OE1 3.45Å; R87-E111 PolarHBondContact NH2-OE1 3.46Å; R87-E111 VanDerWaalsContact NH2-OE1 3.08Å; R87-E111 IonicContact NH2-OE2 3.72Å; R87-E111 PolarHBondContact NH2-OE2 3.14Å; R87-E111 PolarHBondContact O-N 3.19Å; A109-E111 PolarHBondContact O-N 3.05Å
112T87.7Confident74.3Confident92 Ų92105.3 Ų105.356%0.56455%0.553SS**EExtended strand (participates in β ladder)trans-123.5119.8178.9-59.40000110.1T84 R85 V86T84-T112 HydrophobicContact CG2-CG2 3.3Å; R85-T112 CarbonylContact O-C 3.52Å; R85-T112 WeakPolarHBondContact O-CA 3.15Å; V86-T112 HydrophobicContact CG2-CG2 4.23Å
113E91.7Very high75.9Confident82 Ų82100.8 Ų100.838%0.38355%0.549SS..EExtended strand (participates in β ladder)trans-101.7136.7175.5-161-169.3161.600110.3W63 W66 T84 R85W63-E113 HydrophobicContact CH2-CB 3.72Å; W63-E113 HydrophobicContact CZ2-CB 4.49Å; W63-E113 HydrophobicContact CZ3-CB 3.75Å; W66-E113 HydrophobicContact CH2-CB 3.96Å; W66-E113 HydrophobicContact CH2-CG 3.73Å; W66-E113 HydrophobicContact CZ2-CG 4.4Å; W66-E113 WeakPolarHBondContact CZ2-OE2 3.37Å; T84-E113 CarbonylContact C-O 3.56Å; T84-E113 VanDerWaalsContact CA-O 3.23Å; T84-E113 WeakPolarHBondContact CA-O 3.44Å; R85-E113 HydrophobicContact CB-CB 4.45Å; R85-E113 PolarHBondContact N-O 2.91Å; R85-E113 PolarHBondContact O-N 2.88Å
114R90.9Very high77.7Confident190 Ų19097.1 Ų97.172%0.71753%0.529SS*.EExtended strand (participates in β ladder)trans-124.4123.4176.1-174.9-174.5-66-175.21.9111Q83Q83-R114 CarbonylContact O-C 3.51Å; Q83-R114 WeakPolarHBondContact O-CA 3.41Å
115R92.9Very high79.4Confident105 Ų105100.1 Ų100.140%0.39655%0.548SS..EExtended strand (participates in β ladder)trans-115.5150.8173.572.3-176.1175.4-176.30.9112.7W66 S82 Q83W66-R115 VanDerWaalsContact CB-NH2 3.3Å; W66-R115 HydrophobicContact CD2-CG 4.33Å; W66-R115 VanDerWaalsContact CE2-NH1 3.33Å; W66-R115 HydrophobicContact CE3-CG 3.78Å; W66-R115 HydrophobicContact CH2-CB 3.82Å; W66-R115 HydrophobicContact CH2-CG 3.66Å; W66-R115 HydrophobicContact CZ2-CG 4.22Å; W66-R115 HydrophobicContact CZ3-CB 3.95Å; W66-R115 HydrophobicContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact CZ3-CG 3.43Å; W66-R115 VanDerWaalsContact NE1-CZ 3.3Å; S82-R115 CarbonylContact C-O 3.51Å; S82-R115 VanDerWaalsContact CA-O 3.23Å; S82-R115 WeakPolarHBondContact CA-O 3.41Å; Q83-R115 HydrophobicContact CB-CG 3.96Å; Q83-R115 PolarHBondContact N-O 3.07Å; Q83-R115 PolarHBondContact O-N 2.73Å
116K92.4Very high80.5Confident201 Ų201106.3 Ų106.387%0.87456%0.556SS**EExtended strand (participates in β ladder)trans-78.4142.1173-66173.4-175.3168.10109.3
117C90.6Very high81.1Confident17 Ų17105.4 Ų105.412%0.11556%0.557CS.*EExtended strand (participates in β ladder)trans-133.7149.417750.60000110.3C69 K80 G81 S82 Q83C69-C117 WeakPolarHBondContact CA-SG 3.29Å; C69-C117 HydrophobicContact CB-CB 3.85Å; C69-C117 WeakPolarHBondContact CB-SG 3.46Å; C69-C117 WeakPolarHBondContact SG-CB 3.48Å; C69-C117 CovalentContact SG-SG 2.01Å; C69-C117 PolarHBondContact SG-SG 3.45Å; K80-C117 CarbonylContact C-O 3.57Å; K80-C117 WeakPolarHBondContact CA-O 3.37Å; G81-C117 PolarHBondContact N-O 3.32Å; G81-C117 PolarHBondContact O-N 3.11Å; G81-C117 PolarHBondContact O-SG 2.83Å; G81-C117 VanDerWaalsContact O-SG 3.41Å; S82-C117 VanDerWaalsContact C-SG 3.53Å; S82-C117 PolarHBondContact N-SG 3.07Å; S82-C117 VanDerWaalsContact N-SG 3.38Å; Q83-C117 HydrophobicContact CG-CB 4.08Å
118V91.3Very high81.2Confident116 Ų116110.7 Ų110.770%0.70357%0.571SS**EExtended strand (participates in β ladder)trans-120128.3175.9-175.10000107.6K79 K80K79-V118 CarbonylContact O-C 3.5Å; K79-V118 VanDerWaalsContact O-CA 3.23Å; K79-V118 WeakPolarHBondContact O-CA 3.36Å; K79-V118 VanDerWaalsContact O-CG1 3.27Å; K79-V118 WeakPolarHBondContact O-CG1 3.39Å; K80-V118 HydrophobicContact CG-CG2 4.35Å
119V88.3Confident80.8Confident52 Ų52118.2 Ų118.232%0.31560%0.6SS.*  trans-132161.3-177.3-64.60000110.9C69 F78 K79C69-V119 HydrophobicContact CB-CG1 3.57Å; F78-V119 HydrophobicContact CD2-CG2 3.72Å; F78-V119 HydrophobicContact CE2-CG2 3.31Å; F78-V119 HydrophobicContact CZ-CG2 4.04Å; K79-V119 WeakPolarHBondContact CA-O 3.48Å; K79-V119 PolarHBondContact O-N 3.03Å
120T84.6Confident79.5Confident117 Ų117121.8 Ų121.872%0.71861%0.609SS**  trans-67.1142.1168.849.30000109.7T122T120-T122 VanDerWaalsContact C-N 3.35Å; T120-T122 PolarHBondContact O-N 3.21Å
121K80.8Confident78.1Confident137 Ų137127.9 Ų127.960%0.59663%0.627SS**  trans-76.687.7-176.7-172.5-173.1175.7-173.30109.5K79K79-K121 HydrophobicContact CG-CB 3.99Å
122T82.3Confident76.4Confident79 Ų79128.7 Ų128.749%0.48564%0.642SS.*PPolyproline II helixtrans-70.4127.1173.1-47.70000109.5G77 T120 C124G77-T122 WeakPolarHBondContact CA-O 3.39Å; G77-T122 PolarHBondContact N-O 3.1Å; T120-T122 VanDerWaalsContact C-N 3.35Å; T120-T122 PolarHBondContact O-N 3.21Å; T122-C124 PolarHBondContact O-N 2.99Å
123P80.3Confident74.6Confident109 Ų109131.2 Ų131.271%0.70865%0.651SS**PPolyproline II helixtrans-61.2132.3174.824.6-31.6000109.8
124C81.7Confident72.7Confident50 Ų50139 Ų13934%0.33868%0.677SS.*PPolyproline II helixtrans-66.9140.2173.4-670000109.7C76 T122 R126C76-C124 HydrophobicContact CB-CB 3.89Å; C76-C124 WeakPolarHBondContact CB-SG 3.4Å; C76-C124 PolarHBondContact O-SG 3.43Å; C76-C124 WeakPolarHBondContact SG-CA 3.26Å; C76-C124 WeakPolarHBondContact SG-CB 3.39Å; C76-C124 CovalentContact SG-SG 2.03Å; C76-C124 PolarHBondContact SG-SG 3.23Å; T122-C124 PolarHBondContact O-N 2.99Å; C124-R126 PolarHBondContact O-N 3.03Å
125P80.4Confident70.8Confident114 Ų114137.7 Ų137.774%0.7468%0.679SS**PPolyproline II helixtrans-55.5120.316624.7-31.4000107.1D127P125-D127 PolarHBondContact O-N 2.77Å
126R71.8Confident68.7Low228 Ų228138.6 Ų138.686%0.8669%0.692SS**PPolyproline II helixtrans-70.3118174.4-66.6-176.6-178.6-155.53.4106.3C124 K128C124-R126 PolarHBondContact O-N 3.03Å; R126-K128 PolarHBondContact O-N 3.4Å; R126-K128 VanDerWaalsContact O-N 3.08Å
127D63.6Low66.9Low152 Ų152136.3 Ų136.381%0.81369%0.689SS**PPolyproline II helixtrans-52.1119.1159.1-65.4-68.6000107P125 K129P125-D127 PolarHBondContact O-N 2.77Å; D127-K129 PolarHBondContact O-N 2.81Å
128K54.7Low65Low222 Ų222140.6 Ų140.697%0.96572%0.715SS**SBendtrans-69.953.8174.8-73.6179.6176.4173.20110.2R126R126-K128 PolarHBondContact O-N 3.4Å; R126-K128 VanDerWaalsContact O-N 3.08Å
129K53.5Low62.8Low186 Ų186140.7 Ų140.781%0.80971%0.712SS**  trans-140.962.6179-158.1170.4-173.9175.60111.9D127D127-K129 PolarHBondContact O-N 2.81Å
130N44.8Very low60.9Low146 Ų146148.3 Ų148.378%0.78174%0.735SS**  -179.999.4121.1-114.6-19.4000108.9S132N130-S132 PolarHBondContact O-N 3.06Å
131K50.5Low59.2Low211 Ų211152.2 Ų152.292%0.91774%0.737SS**  trans-8773.4165.2-162.1178.7-172.6176.50106.5
132S50.6Low57.6Low97 Ų97153.5 Ų153.568%0.67875%0.745SS**  trans-159.9135.8166-175.50000107.9N130N130-S132 PolarHBondContact O-N 3.06Å
133N48.2Very low55.9Low144 Ų144157 Ų15777%0.7776%0.76SS**SBendtrans92.132.7174-143.728.2000119
134R53.1Low54.4Low246 Ų246155.6 Ų155.693%0.92876%0.758SS**SBendtrans-136.623.7162-89.5-161178.9117.4-0.4114.3
135Q51.5Low53Low162 Ų162163.9 Ų163.976%0.75778%0.782SS**SBendtrans-134.324.3-178-143.9165.6-0.300113.4
136D48.5Very low51.6Low125 Ų125161.5 Ų161.567%0.66878%0.778SS**SBendtrans-114.1-3175.4-163.7-117000113.8
137D53.4Low50.4Low152 Ų152162.2 Ų162.281%0.81378%0.781SS**SBendtrans-95.5-15.3-179-86.3-68.6000114.6
138T51.6Low49.3Very low108 Ų108158.5 Ų158.566%0.66378%0.779SS**SBendtrans-89.3-27.4-177.527.30000114.3
139N45Very low48.6Very low117 Ų117159.2 Ų159.263%0.62678%0.776SS**THydrogen-bonded Turntrans-87.9-13.9-177.6-86.7-57.1000114.7R141N139-R141 VanDerWaalsContact C-N 3.35Å
140R47.6Very low47.6Very low212 Ų212159.6 Ų159.680%0.878%0.78SS**THydrogen-bonded Turntrans-82.8-9.2178.1-164.2173.7176.1-154.5-0.8113.7
141R49.3Very low47.2Very low200 Ų200156.2 Ų156.276%0.75578%0.78SS**THydrogen-bonded Turntrans-89.3-22.4-179.4-154.5172.1-174.1-176.30.7113.5N139N139-R141 VanDerWaalsContact C-N 3.35Å
142E46.8Very low46.7Very low163 Ų163156.6 Ų156.676%0.76278%0.782SS**THydrogen-bonded Turntrans-82.4-33.7179.2-121.9179.6128.700112.8A144E142-A144 PolarHBondContact O-N 3.24Å
143N46.4Very low45.7Very low153 Ų153155.7 Ų155.782%0.81879%0.788SS**THydrogen-bonded Turntrans-81.7-5.9-177.7-103.7-18000115.5
144A49.7Very low45Very low80 Ų80152.8 Ų152.866%0.66179%0.792SS**THydrogen-bonded Turntrans-93.6-3-177.500000114.4E142E142-A144 PolarHBondContact O-N 3.24Å
145R52.1Low44Very low223 Ų223145.3 Ų145.384%0.84279%0.792SS**SBendtrans-91.30178.5-71.7-176173.6168.9-2.8114.2
146G51.5Low43.1Very low64 Ų64141.4 Ų141.466%0.6680%0.795SS**SBendtrans-112.2-2.7-166.600000117.9
147R46.2Very low42.4Very low243 Ų243139.3 Ų139.392%0.91780%0.803SS**  trans-142.6124.3179.2-69.6-171.6178.2-177.6-0.8112.4
148G39.6Very low41.8Very low75 Ų75135.9 Ų135.977%0.77380%0.803SS**  trans-87-175.1-170.900000116.2
149R39.8Very low41.4Very low237 Ų237140.9 Ų140.989%0.89482%0.816SS**  trans61.1115.3158.2-83.3-176.8170.4177.3-3.8119.4
150E34Very low41.5Very low193 Ų193147.1 Ų147.190%0.90283%0.83SS**  trans75.1132131.9-147.1179.3119.500119.1
151G36.8Very low41.5Very low76 Ų76148.9 Ų148.978%0.78484%0.837SS**  trans147.9108.1162.900000115.6
152K38.2Very low41.1Very low218 Ų218149.2 Ų149.295%0.94884%0.844SS**  trans-43151170-83.6165.8161.7172.40115.6
153G31.2Very low40.6Very low78 Ų78144.8 Ų144.880%0.80484%0.843SS**  126.1119.2124.800000118.2
154G33.3Very low40.7Very low83 Ų83145.8 Ų145.886%0.85684%0.842SS**  trans85.591.3134.300000118.2
155G32.5Very low40.4Very low90 Ų90147.8 Ų147.893%0.92885%0.851SS**  trans-68.5134.816800000112.7
156G32.5Very low40Very low79 Ų79147.8 Ų147.881%0.81485%0.851SS**  trans-124.8144.6171.900000111.5
157G34Very low39.5Very low82 Ų82151.3 Ų151.385%0.84586%0.86SS**  trans121.992.4144.300000117.7
158G40.2Very low39.4Very low79 Ų79146.2 Ų146.281%0.81486%0.856SS**  78.586.7121.300000118.7R160G158-R160 PolarHBondContact O-N 2.71Å
159K42.7Very low39.7Very low214 Ų214149.3 Ų149.393%0.9386%0.861SS**  trans-70.3115158.3-76.4174.9175.6173.20110
160R47.6Very low39.8Very low247 Ų247142.7 Ų142.793%0.93286%0.856SS**  trans-113.4115.5159-84.4-173.7159.5-171.9-5.3109.7G158G158-R160 PolarHBondContact O-N 2.71Å
161R46.9Very low40.3Very low250 Ų250139.1 Ų139.194%0.94385%0.853SS**PPolyproline II helixtrans-68.2136.8-179.4-78.3179.6165.3-178.2-4.1110.8
162K41.7Very low40.5Very low206 Ų206141.7 Ų141.790%0.89685%0.854SS**PPolyproline II helixtrans-82.1121.5178-174.7164.8179174.40109.7
163G36.9Very low41Very low71 Ų71137.6 Ų137.673%0.73285%0.846SS**PPolyproline II helixtrans-64141.517200000112.1
164Q47.2Very low41.8Very low173 Ų173139.3 Ų139.381%0.80884%0.841SS**PPolyproline II helixtrans-80.9129.6-176.6-171.8176.947.600109.8R166Q164-R166 HydrophobicContact CG-CG 4.36Å
165S42.7Very low42.5Very low122 Ų122141.8 Ų141.885%0.85384%0.84SS**  trans-121.3110.9159-65.90000108.1
166R45.3Very low43.2Very low223 Ų223142.9 Ų142.984%0.84283%0.833SS**PPolyproline II helixtrans-69.5119.1177.3-65.6163.698.4173.14.4108.4Q164Q164-R166 HydrophobicContact CG-CG 4.36Å
167T39.5Very low44.1Very low138 Ų138143.4 Ų143.485%0.84783%0.83SS**PPolyproline II helixtrans-85.5116.2158.823.80000108.1
168T45.4Very low44.7Very low137 Ų137145.9 Ų145.984%0.8483%0.829SS**PPolyproline II helixtrans-66.7129.8169.329.40000110
169T44.5Very low45.1Very low140 Ų140151.9 Ų151.986%0.85985%0.849SS**PPolyproline II helixtrans-60.3130.1173.434.90000111.7
170A42.3Very low45.2Very low97 Ų97148.8 Ų148.880%0.80285%0.845SS**PPolyproline II helixtrans-103.3132.716200000108.9
171S44.6Very low45Very low119 Ų119143.6 Ų143.683%0.83284%0.841SS**PPolyproline II helixtrans-64.6135.6-167.4-470000113.8
172T42.2Very low44.9Very low130 Ų130137.7 Ų137.780%0.79884%0.835SS**PPolyproline II helixtrans-75.3118.1168.3-530000108.9
173V46.9Very low45.1Very low131 Ų131133.6 Ų133.679%0.79483%0.832SS**  trans-82.5112.7166.8176.10000107.4T175V173-T175 PolarHBondContact O-N 3.16Å
174T49.7Very low45.6Very low114 Ų114137.6 Ų137.670%0.69984%0.838SS**  trans-79.9107.3174.2-49.50000109
175T46.3Very low45.5Very low136 Ų136135.2 Ų135.283%0.83484%0.84SS**  trans-75.3120.6161.422.20000108.6V173V173-T175 PolarHBondContact O-N 3.16Å
176S47.5Very low45.7Very low112 Ų112136.1 Ų136.178%0.78384%0.839SS**  trans-111.3125.1165.2-55.90000108
177A52.8Low45.8Very low90 Ų90129.5 Ų129.574%0.74484%0.839SS**  trans-126.1159.3167.800000107.9
178V45.6Very low46.3Very low135 Ų135128.8 Ų128.882%0.81884%0.838SS**  trans86121.3173.7-165.10000111.8
179T47.8Very low46.4Very low204 Ų204128 Ų128100%1.25284%0.838SS**  cis-147.1032-40.10000110.3

Retrieved 179 of 179 residues in 354 ms (Link to these results)