A0A087XZ26_POEFO Loading...

Beta-arrestin-1

AlphaFold DB , UniProt , Accession A0A087XZ26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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
1M32Very low68.9Low257 Ų25794.6 Ų94.6100%1.26649%0.485SS*.  089.60-86.8161.1161.600106.7
2G36Very low70.9Confident69 Ų6991 Ų9171%0.71148%0.48SS*.  trans-123.3134.8-179.100000109K4G2-K4 PolarHBondContact O-N 2.99Å
3D40.5Very low72.6Confident118 Ų11884.5 Ų84.563%0.63145%0.446SS*.  trans7.198.8176.9-80.7-20.3000117.3G5D3-G5 PolarHBondContact O-N 3.33Å
4K50.7Low73.8Confident196 Ų19685.7 Ų85.785%0.85246%0.461SS*.  trans-85.328.7164.2-72.8-173.4172.6-174.20112.1G2G2-K4 PolarHBondContact O-N 2.99Å
5G61.6Low74.8Confident14 Ų1482.2 Ų82.214%0.14444%0.442CS..  trans-86.5138.5176.600000111.7D3 R7 D384D3-G5 PolarHBondContact O-N 3.33Å; G5-R7 PolarHBondContact O-N 2.9Å; G5-D384 CarbonylContact C-O 3.33Å; G5-D384 WeakPolarHBondContact CA-O 3.4Å
6T78.9Confident75.7Confident66 Ų6680.2 Ų80.241%0.40545%0.447SS..EExtended strand (participates in β ladder)trans-74.4112.6171.8-55.90000108.1L100 D384 I385 I386T6-L100 HydrophobicContact CG2-CD1 4.35Å; T6-D384 PolarHBondContact N-O 3.46Å; T6-I385 WeakPolarHBondContact O-CA 3.4Å; T6-I386 PolarHBondContact O-N 3Å; T6-I386 VanDerWaalsContact O-N 3.16Å
7R87.4Confident76.6Confident128 Ų12879.4 Ų79.448%0.48344%0.438SS..EExtended strand (participates in β ladder)trans-75.5133.8178.7-65.5-179-176.6-170.61.5110.3G5 E388G5-R7 PolarHBondContact O-N 2.9Å; R7-E388 WeakPolarHBondContact CD-OE1 3.35Å; R7-E388 IonicContact CZ-OE1 3Å; R7-E388 IonicContact NE-OE1 3.36Å; R7-E388 PolarHBondContact NE-OE1 3.42Å; R7-E388 IonicContact NH1-OE1 2.99Å
8V90.9Very high77.5Confident0 Ų075.1 Ų75.10%041%0.414CS..EExtended strand (participates in β ladder)trans-130.3128.3176.1177.30000108.8Y21 L100 L104 I385 I386 F387 E388V8-Y21 HydrophobicContact CG1-CD1 4.15Å; V8-L100 HydrophobicContact CG2-CD1 3.86Å; V8-L104 HydrophobicContact CG1-CD1 4.19Å; V8-L104 HydrophobicContact CG1-CD2 4Å; V8-L104 HydrophobicContact CG2-CD2 4.22Å; V8-I385 HydrophobicContact CB-CG2 4.08Å; V8-I385 HydrophobicContact CG2-CG2 3.74Å; V8-I386 PolarHBondContact N-O 2.86Å; V8-F387 HydrophobicContact CB-CD1 4.08Å; V8-F387 HydrophobicContact CB-CE1 4.31Å; V8-F387 HydrophobicContact CG1-CD1 4.23Å; V8-F387 HydrophobicContact CG1-CE1 4.27Å; V8-F387 WeakPolarHBondContact O-CA 3.47Å; V8-E388 PolarHBondContact O-N 2.66Å
9F92.8Very high78.3Confident29 Ų2972.1 Ų72.113%0.12740%0.398CS..EExtended strand (participates in β ladder)trans-88.6136.2178.5-57.4-72.3000110.4Y21 L22 R25 E388 D389 F390F9-Y21 CarbonylContact O-C 3.53Å; F9-Y21 VanDerWaalsContact O-CA 3.32Å; F9-Y21 WeakPolarHBondContact O-CA 3.25Å; F9-L22 PolarHBondContact N-O 3.12Å; F9-L22 PolarHBondContact O-N 2.94Å; F9-R25 HydrophobicContact CD1-CG 4.38Å; F9-R25 VanDerWaalsContact CD1-CZ 3.49Å; F9-R25 VanDerWaalsContact CD1-NH2 3.29Å; F9-R25 HydrophobicContact CD2-CG 3.66Å; F9-R25 HydrophobicContact CE1-CG 4.5Å; F9-R25 VanDerWaalsContact CE1-NE 3.34Å; F9-R25 HydrophobicContact CE2-CG 3.81Å; F9-R25 HydrophobicContact CG-CG 3.95Å; F9-R25 HydrophobicContact CZ-CG 4.22Å; F9-E388 CarbonylContact C-O 3.53Å; F9-E388 VanDerWaalsContact CA-O 3.3Å; F9-E388 WeakPolarHBondContact CA-O 3.45Å; F9-E388 HydrophobicContact CD1-CB 3.94Å; F9-E388 HydrophobicContact CE1-CB 4.11Å; F9-E388 WeakPolarHBondContact CE1-OE2 3.31Å; F9-D389 WeakPolarHBondContact CD1-O 2.8Å; F9-F390 HydrophobicContact CB-CB 4.32Å; F9-F390 HydrophobicContact CB-CD2 3.74Å; F9-F390 HydrophobicContact CB-CG 4.48Å; F9-F390 HydrophobicContact CG-CD2 4.49Å
10K93.6Very high79.2Confident81 Ų8168.5 Ų68.535%0.35238%0.378SS..EExtended strand (participates in β ladder)trans-127.1150.2176.271.8179.5180-179.40112.5T19 V20 Y21 F387 E388 F390K10-T19 HydrophobicContact CB-CG2 4.25Å; K10-V20 CarbonylContact C-O 3.57Å; K10-V20 WeakPolarHBondContact CA-O 3.44Å; K10-Y21 HydrophobicContact CB-CD1 3.56Å; K10-Y21 HydrophobicContact CB-CE1 3.57Å; K10-Y21 HydrophobicContact CB-CG 4.23Å; K10-Y21 HydrophobicContact CD-CD1 4.46Å; K10-Y21 HydrophobicContact CD-CE1 3.66Å; K10-Y21 HydrophobicContact CG-CE1 4.25Å; K10-F387 HydrophobicContact CD-CB 4.11Å; K10-F387 HydrophobicContact CD-CG 4.42Å; K10-E388 PolarHBondContact N-O 3.04Å; K10-F390 PolarHBondContact O-N 2.86Å
11K93.6Very high80Confident83 Ų8365.9 Ų65.936%0.36136%0.363SS..EExtended strand (participates in β ladder)trans-140.9129.6168.4-167175.4-179.6174.30110T19 V20 V164 R165 L166 F390K11-T19 WeakPolarHBondContact O-CA 3.2Å; K11-V20 PolarHBondContact N-O 3.01Å; K11-V20 PolarHBondContact O-N 3.12Å; K11-V164 HydrophobicContact CB-CG1 3.79Å; K11-V164 HydrophobicContact CD-CG1 4.02Å; K11-V164 HydrophobicContact CG-CG1 3.81Å; K11-V164 WeakPolarHBondContact O-CG1 3.47Å; K11-R165 WeakPolarHBondContact CD-O 3.22Å; K11-R165 WeakPolarHBondContact CE-O 3.5Å; K11-R165 PolarHBondContact NZ-O 2.93Å; K11-L166 HydrophobicContact CB-CD2 3.71Å; K11-L166 HydrophobicContact CB-CG 4.13Å; K11-L166 HydrophobicContact CD-CG 4.2Å; K11-F390 HydrophobicContact CB-CB 4.11Å
12A92.9Very high83Confident51 Ų5153.6 Ų53.642%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-94.7156.8176.700000111.3L18 T19A12-L18 CarbonylContact C-O 3.58Å; A12-L18 WeakPolarHBondContact CA-O 3.19Å; A12-T19 HydrophobicContact CB-CG2 4.35Å
13S92.5Very high85.5Confident6 Ų651 Ų514%0.04228%0.276CS..  trans-71.4157.9170.553.80000110.1N15 G16 K17 L18 V164S13-N15 WeakPolarHBondContact CB-OD1 3.19Å; S13-N15 PolarHBondContact O-N 3.47Å; S13-N15 VanDerWaalsContact O-N 3.07Å; S13-N15 PolarHBondContact OG-OD1 2.98Å; S13-G16 WeakPolarHBondContact O-CA 3.44Å; S13-G16 PolarHBondContact O-N 3.29Å; S13-K17 PolarHBondContact OG-N 2.83Å; S13-L18 PolarHBondContact N-O 2.81Å; S13-L18 PolarHBondContact OG-N 3.43Å; S13-L18 PolarHBondContact OG-O 3.33Å; S13-V164 VanDerWaalsContact N-CG2 3.29Å
14P90.3Very high87.9Confident102 Ų10249.9 Ų49.966%0.66227%0.265SS*.THydrogen-bonded Turntrans-55.8-28.4178.3-28.735.9000114.4S163P14-S163 WeakPolarHBondContact CD-O 3.46Å
15N88.4Confident89.8Confident33 Ų3342 Ų4218%0.17623%0.23CC..THydrogen-bonded Turntrans-88.2-1.6174.766.8-2.1000114.6S13 K17 Y47 R161S13-N15 WeakPolarHBondContact CB-OD1 3.19Å; S13-N15 PolarHBondContact O-N 3.47Å; S13-N15 VanDerWaalsContact O-N 3.07Å; S13-N15 PolarHBondContact OG-OD1 2.98Å; N15-K17 HydrophobicContact CB-CG 4.34Å; N15-K17 PolarHBondContact O-N 2.9Å; N15-K17 PolarHBondContact OD1-N 3.23Å; N15-K17 VanDerWaalsContact OD1-N 3.16Å; N15-Y47 VanDerWaalsContact ND2-CZ 3.31Å; N15-Y47 PolarHBondContact ND2-OH 3.09Å; N15-R161 HydrophobicContact CB-CG 4.05Å; N15-R161 PolarHBondContact N-O 3.45Å; N15-R161 PolarHBondContact OD1-O 2.89Å
16G88.4Confident91.1Very high50 Ų5043.7 Ų43.752%0.51524%0.236SC..SBendtrans69.84.9-179.300000115.7S13S13-G16 WeakPolarHBondContact O-CA 3.44Å; S13-G16 PolarHBondContact O-N 3.29Å
17K91Very high91.7Very high67 Ų6740.6 Ų40.629%0.29122%0.216SC..SBendtrans-89-12.8-173.2-60.1-56.6-170.1176.60114.5S13 N15 D44 Y47S13-K17 PolarHBondContact OG-N 2.83Å; N15-K17 HydrophobicContact CB-CG 4.34Å; N15-K17 PolarHBondContact O-N 2.9Å; N15-K17 PolarHBondContact OD1-N 3.23Å; N15-K17 VanDerWaalsContact OD1-N 3.16Å; K17-D44 HydrophobicContact CB-CB 4.25Å; K17-D44 HydrophobicContact CD-CB 3.85Å; K17-D44 WeakPolarHBondContact CD-OD2 3.33Å; K17-D44 WeakPolarHBondContact CE-OD2 3.35Å; K17-D44 IonicContact NZ-OD2 2.75Å; K17-D44 PolarHBondContact NZ-OD2 2.84Å; K17-D44 PolarHBondContact O-N 3.5Å; K17-Y47 HydrophobicContact CB-CD1 3.67Å; K17-Y47 HydrophobicContact CB-CD2 4.39Å; K17-Y47 HydrophobicContact CB-CE1 4.23Å; K17-Y47 HydrophobicContact CB-CG 3.75Å; K17-Y47 HydrophobicContact CD-CG 4.33Å; K17-Y47 HydrophobicContact CG-CD1 4.07Å; K17-Y47 HydrophobicContact CG-CD2 3.85Å; K17-Y47 HydrophobicContact CG-CE2 4.39Å; K17-Y47 HydrophobicContact CG-CG 3.67Å
18L92.7Very high91.7Very high1 Ų134.8 Ų34.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-133.7127.6179.2-169.168.7000108.3A12 S13 V41 I43 V53 A148 V164A12-L18 CarbonylContact C-O 3.58Å; A12-L18 WeakPolarHBondContact CA-O 3.19Å; S13-L18 PolarHBondContact N-O 2.81Å; S13-L18 PolarHBondContact OG-N 3.43Å; S13-L18 PolarHBondContact OG-O 3.33Å; L18-V41 HydrophobicContact CD1-CG1 3.33Å; L18-V41 HydrophobicContact CG-CG1 4.06Å; L18-I43 HydrophobicContact CD1-CB 4.49Å; L18-I43 HydrophobicContact CD1-CG1 3.95Å; L18-I43 HydrophobicContact CD1-CG2 4.21Å; L18-V53 HydrophobicContact CD1-CG1 3.87Å; L18-V53 HydrophobicContact CD1-CG2 4.32Å; L18-A148 HydrophobicContact CD2-CB 3.84Å; L18-V164 HydrophobicContact CB-CG2 4.31Å; L18-V164 HydrophobicContact CD2-CG2 4.23Å; L18-V164 HydrophobicContact CG-CG2 4.29Å
19T94.3Very high91.5Very high18 Ų1835 Ų3511%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-131.3129.1176.5-54.40000110.1K10 K11 A12 Y21 V41 L42K10-T19 HydrophobicContact CB-CG2 4.25Å; K11-T19 WeakPolarHBondContact O-CA 3.2Å; A12-T19 HydrophobicContact CB-CG2 4.35Å; T19-Y21 HydrophobicContact CG2-CD2 4.2Å; T19-Y21 HydrophobicContact CG2-CE1 4.49Å; T19-Y21 HydrophobicContact CG2-CE2 3.48Å; T19-Y21 VanDerWaalsContact CG2-CE2 3.48Å; T19-V41 CarbonylContact O-C 3.52Å; T19-V41 WeakPolarHBondContact O-CA 3.48Å; T19-L42 PolarHBondContact N-O 3.26Å; T19-L42 PolarHBondContact O-N 3.44Å
20V96.1Very high91Very high0 Ų034.9 Ų34.90%020%0.196CC..EExtended strand (participates in β ladder)trans-102.7136.1177.7-176.70000109.3K10 K11 L22 V41 F115 A148 V164 L166K10-V20 CarbonylContact C-O 3.57Å; K10-V20 WeakPolarHBondContact CA-O 3.44Å; K11-V20 PolarHBondContact N-O 3.01Å; K11-V20 PolarHBondContact O-N 3.12Å; V20-L22 HydrophobicContact CG1-CG 4.4Å; V20-V41 HydrophobicContact CG2-CG2 4.31Å; V20-F115 HydrophobicContact CG1-CE1 4.09Å; V20-F115 HydrophobicContact CG1-CZ 3.93Å; V20-A148 HydrophobicContact CG2-CB 3.44Å; V20-A148 VanDerWaalsContact CG2-CB 3.44Å; V20-V164 HydrophobicContact CB-CG1 4.39Å; V20-V164 HydrophobicContact CG2-CB 3.92Å; V20-V164 HydrophobicContact CG2-CG1 3.98Å; V20-V164 HydrophobicContact CG2-CG2 4.33Å; V20-L166 HydrophobicContact CB-CD1 3.77Å; V20-L166 HydrophobicContact CB-CD2 4.42Å; V20-L166 HydrophobicContact CG1-CD1 3.77Å; V20-L166 HydrophobicContact CG1-CD2 4.39Å; V20-L166 HydrophobicContact CG2-CD1 4Å
21Y95.3Very high90.2Very high14 Ų1432.7 Ų32.76%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-118.8130.3176.6-63.1-98.1000109.8V8 F9 K10 T19 G39 V40 L42 L108 F387V8-Y21 HydrophobicContact CG1-CD1 4.15Å; F9-Y21 CarbonylContact O-C 3.53Å; F9-Y21 VanDerWaalsContact O-CA 3.32Å; F9-Y21 WeakPolarHBondContact O-CA 3.25Å; K10-Y21 HydrophobicContact CB-CD1 3.56Å; K10-Y21 HydrophobicContact CB-CE1 3.57Å; K10-Y21 HydrophobicContact CB-CG 4.23Å; K10-Y21 HydrophobicContact CD-CD1 4.46Å; K10-Y21 HydrophobicContact CD-CE1 3.66Å; K10-Y21 HydrophobicContact CG-CE1 4.25Å; T19-Y21 HydrophobicContact CG2-CD2 4.2Å; T19-Y21 HydrophobicContact CG2-CE1 4.49Å; T19-Y21 HydrophobicContact CG2-CE2 3.48Å; T19-Y21 VanDerWaalsContact CG2-CE2 3.48Å; Y21-G39 WeakPolarHBondContact O-CA 3.36Å; Y21-V40 PolarHBondContact N-O 2.63Å; Y21-V40 PolarHBondContact O-N 3.16Å; Y21-L42 HydrophobicContact CD2-CB 4.47Å; Y21-L42 HydrophobicContact CE2-CB 3.75Å; Y21-L42 HydrophobicContact CE2-CD2 4.33Å; Y21-L108 HydrophobicContact CD1-CD1 4.29Å; Y21-L108 HydrophobicContact CD2-CD1 3.64Å; Y21-L108 HydrophobicContact CE1-CD1 4.27Å; Y21-L108 HydrophobicContact CE1-CD2 3.98Å; Y21-L108 HydrophobicContact CE2-CD1 3.64Å; Y21-L108 HydrophobicContact CE2-CD2 4.09Å; Y21-L108 HydrophobicContact CG-CD1 4Å; Y21-F387 AromaticContact CD1-CD1 3.82Å; Y21-F387 HydrophobicContact CD1-CD1 3.82Å; Y21-F387 AromaticContact CD1-CE1 3.59Å; Y21-F387 HydrophobicContact CD1-CE1 3.59Å; Y21-F387 HydrophobicContact CD1-CZ 4.47Å; Y21-F387 AromaticContact CE1-CD1 3.72Å; Y21-F387 HydrophobicContact CE1-CD1 3.72Å; Y21-F387 AromaticContact CE1-CE1 3.53Å; Y21-F387 HydrophobicContact CE1-CE1 3.53Å; Y21-F387 HydrophobicContact CE1-CG 4.4Å; Y21-F387 HydrophobicContact CE1-CZ 4.08Å
22L94.3Very high89.5Confident0 Ų035.4 Ų35.40%021%0.208CC..EExtended strand (participates in β ladder)trans-131.5139.4177.2-69.6175.8000109.8F9 V20 V37 D38 F115 L166 I168 F390F9-L22 PolarHBondContact N-O 3.12Å; F9-L22 PolarHBondContact O-N 2.94Å; V20-L22 HydrophobicContact CG1-CG 4.4Å; L22-V37 HydrophobicContact CD2-CG1 4.06Å; L22-D38 WeakPolarHBondContact CD2-O 3.45Å; L22-F115 HydrophobicContact CD2-CE2 4.2Å; L22-F115 HydrophobicContact CD2-CZ 3.82Å; L22-L166 HydrophobicContact CD1-CD2 4.13Å; L22-I168 HydrophobicContact CD1-CG2 3.97Å; L22-F390 HydrophobicContact CD1-CD2 4.44Å; L22-F390 HydrophobicContact CD1-CE2 3.84Å
23G89.4Confident89.1Confident15 Ų1537.9 Ų37.916%0.15521%0.214CC..SBendtrans-72.7-30175.800000113.4
24K90.3Very high88.8Confident94 Ų9438 Ų3841%0.40921%0.214SC..  trans-135.2155.3-175-61.6179.5179.6178.80111.2F27 E35K24-F27 HydrophobicContact CB-CE1 4.32Å; K24-F27 HydrophobicContact CB-CZ 4.2Å; K24-E35 VanDerWaalsContact NZ-CD 3.33Å; K24-E35 IonicContact NZ-OE1 2.69Å; K24-E35 PolarHBondContact NZ-OE1 3.34Å; K24-E35 IonicContact NZ-OE2 3.71Å; K24-E35 PolarHBondContact NZ-OE2 3.27Å
25R90.6Very high88.8Confident30 Ų3034.3 Ų34.311%0.11319%0.188CC..SBendtrans-102.4-21.4169.3-52.3-173.8-176.5154.3-12.7112.7F9 I168 R169 D389 F390 A391 R392F9-R25 HydrophobicContact CD1-CG 4.38Å; F9-R25 VanDerWaalsContact CD1-CZ 3.49Å; F9-R25 VanDerWaalsContact CD1-NH2 3.29Å; F9-R25 HydrophobicContact CD2-CG 3.66Å; F9-R25 HydrophobicContact CE1-CG 4.5Å; F9-R25 VanDerWaalsContact CE1-NE 3.34Å; F9-R25 HydrophobicContact CE2-CG 3.81Å; F9-R25 HydrophobicContact CG-CG 3.95Å; F9-R25 HydrophobicContact CZ-CG 4.22Å; R25-I168 CarbonylContact O-C 3.5Å; R25-I168 WeakPolarHBondContact O-CA 3.28Å; R25-R169 PolarHBondContact O-N 3.46Å; R25-D389 PolarHBondContact NH2-O 3.01Å; R25-F390 HydrophobicContact CB-CE2 4.17Å; R25-F390 HydrophobicContact CB-CZ 4.25Å; R25-F390 HydrophobicContact CG-CD2 4.09Å; R25-F390 HydrophobicContact CG-CE2 3.69Å; R25-F390 HydrophobicContact CG-CZ 4.11Å; R25-F390 PolarHBondContact NE-O 3.27Å; R25-F390 VanDerWaalsContact NE-O 3.09Å; R25-F390 PolarHBondContact NH2-O 3.36Å; R25-A391 PolarHBondContact NH2-O 3.4Å; R25-R392 PolarHBondContact O-NH2 3.19Å
26D90.1Very high89Confident49 Ų4935.3 Ų35.326%0.26220%0.196SC..EExtended strand (participates in β ladder)trans-121.2124.7-177.5-57.6-21.8000107.5R169 V171 R392D26-R169 CarbonylContact C-O 3.57Å; D26-R169 WeakPolarHBondContact CA-O 3.31Å; D26-R169 WeakPolarHBondContact OD1-CB 3.17Å; D26-R169 IonicContact OD1-CZ 3.82Å; D26-R169 IonicContact OD1-NE 2.66Å; D26-R169 PolarHBondContact OD1-NE 3.28Å; D26-R169 IonicContact OD1-NH2 3.62Å; D26-R169 PolarHBondContact OD1-NH2 3.19Å; D26-R169 IonicContact OD2-CZ 2.69Å; D26-R169 IonicContact OD2-NE 3.75Å; D26-R169 IonicContact OD2-NH2 2.93Å; D26-R169 PolarHBondContact OD2-NH2 3.34Å; D26-V171 HydrophobicContact CB-CG1 4.42Å; D26-V171 HydrophobicContact CB-CG2 4.34Å; D26-R392 IonicContact OD1-CZ 3.71Å; D26-R392 VanDerWaalsContact OD1-CZ 3.27Å; D26-R392 IonicContact OD1-NH1 3.91Å; D26-R392 PolarHBondContact OD1-NH1 2.64Å; D26-R392 IonicContact OD1-NH2 3.5Å; D26-R392 PolarHBondContact OD1-NH2 2.66Å; D26-R392 IonicContact OD2-NH1 3.75Å; D26-R392 PolarHBondContact OD2-NH1 3Å
27F90.7Very high89.2Confident1 Ų132.9 Ų32.90%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-113.4130.1-178.8-66.9-89.7000108.9K24 E35 P36 V37 I168 R169 K170 V171K24-F27 HydrophobicContact CB-CE1 4.32Å; K24-F27 HydrophobicContact CB-CZ 4.2Å; F27-E35 HydrophobicContact CB-CB 4.45Å; F27-E35 HydrophobicContact CD1-CB 4.28Å; F27-P36 WeakPolarHBondContact CD1-O 3.12Å; F27-P36 WeakPolarHBondContact CE1-O 3.43Å; F27-V37 HydrophobicContact CD1-CG2 4Å; F27-V37 HydrophobicContact CD2-CG2 4.05Å; F27-V37 HydrophobicContact CE1-CB 4.1Å; F27-V37 HydrophobicContact CE1-CG1 4.25Å; F27-V37 HydrophobicContact CE1-CG2 3.99Å; F27-V37 HydrophobicContact CE2-CG1 4.12Å; F27-V37 HydrophobicContact CE2-CG2 4.02Å; F27-V37 HydrophobicContact CG-CG2 4.03Å; F27-V37 HydrophobicContact CZ-CB 4.07Å; F27-V37 HydrophobicContact CZ-CG1 3.74Å; F27-V37 HydrophobicContact CZ-CG2 3.99Å; F27-I168 HydrophobicContact CD2-CB 4.09Å; F27-I168 HydrophobicContact CD2-CD1 3.78Å; F27-I168 HydrophobicContact CD2-CG1 4.41Å; F27-I168 HydrophobicContact CE2-CB 3.98Å; F27-I168 HydrophobicContact CE2-CD1 3.83Å; F27-I168 HydrophobicContact CE2-CG1 4.5Å; F27-I168 HydrophobicContact CE2-CG2 3.89Å; F27-R169 PolarHBondContact N-O 2.98Å; F27-K170 WeakPolarHBondContact O-CA 3.43Å; F27-V171 PolarHBondContact O-N 3.19Å
28V87.9Confident89.3Confident7 Ų730.9 Ų30.94%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-89.2134.5-169.2-179.70000111.5V34 E35 V171 Y173V28-V34 WeakPolarHBondContact O-CA 3.43Å; V28-E35 HydrophobicContact CB-CG 4.06Å; V28-E35 PolarHBondContact N-OE2 3.47Å; V28-E35 PolarHBondContact O-N 2.74Å; V28-V171 CarbonylContact C-O 3.54Å; V28-V171 WeakPolarHBondContact CA-O 3.01Å; V28-V171 HydrophobicContact CG2-CG2 4.07Å; V28-Y173 HydrophobicContact CB-CD2 4.27Å; V28-Y173 HydrophobicContact CB-CE2 4Å; V28-Y173 HydrophobicContact CG1-CD1 4.13Å; V28-Y173 HydrophobicContact CG1-CD2 3.14Å; V28-Y173 HydrophobicContact CG1-CE1 4.35Å; V28-Y173 HydrophobicContact CG1-CE2 3.35Å; V28-Y173 HydrophobicContact CG1-CG 3.56Å; V28-Y173 HydrophobicContact CG2-CD2 4.15Å; V28-Y173 HydrophobicContact CG2-CE1 4.18Å; V28-Y173 HydrophobicContact CG2-CE2 3.41Å; V28-Y173 VanDerWaalsContact CG2-CE2 3.41Å; V28-Y173 VanDerWaalsContact CG2-CZ 3.46Å
29D87.1Confident89.3Confident5 Ų530.9 Ų30.93%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-98.8112.7165.4-172.3-21.9000109.4V31 V34 K170 V171 Q172 Y173D29-V31 VanDerWaalsContact C-N 3.33Å; D29-V31 WeakPolarHBondContact OD1-CA 3.37Å; D29-V31 PolarHBondContact OD1-N 3.37Å; D29-V34 HydrophobicContact CB-CG2 4.16Å; D29-K170 HydrophobicContact CB-CG 4.45Å; D29-K170 WeakPolarHBondContact OD2-CE 3.41Å; D29-K170 IonicContact OD2-NZ 2.69Å; D29-K170 PolarHBondContact OD2-NZ 3.47Å; D29-V171 PolarHBondContact N-O 2.85Å; D29-Q172 HydrophobicContact CB-CG 4.2Å; D29-Y173 PolarHBondContact O-N 3.24Å
30H81.3Confident89.3Confident25 Ų2530 Ų3012%0.11616%0.159CC..  trans-92.414.8179.2-59.2-93000113D32 L33 E359H30-D32 PolarHBondContact O-N 3.16Å; H30-L33 PolarHBondContact N-O 3.4Å; H30-E359 IonicContact CE1-OE1 2.85Å; H30-E359 IonicContact CE1-OE2 2.64Å; H30-E359 PolarHBondContact CE1-OE2 3.04Å
31V76.7Confident89.3Confident36 Ų3630 Ų3022%0.21816%0.159CC..SBendtrans68.7-46.3-170-171.30000112.7D29 L305 R307D29-V31 VanDerWaalsContact C-N 3.33Å; D29-V31 WeakPolarHBondContact OD1-CA 3.37Å; D29-V31 PolarHBondContact OD1-N 3.37Å; V31-L305 HydrophobicContact CG2-CD1 3.97Å; V31-R307 PolarHBondContact O-NH1 3Å; V31-R307 PolarHBondContact O-NH2 2.74Å
32D79.1Confident89.2Confident140 Ų14031.4 Ų31.475%0.74917%0.167SC*.SBendtrans-88-25179.6-60.3-39000112.7H30H30-D32 PolarHBondContact O-N 3.16Å
33L84Confident89.2Confident103 Ų10331.7 Ų31.754%0.53917%0.168SC..  trans-144.7145.8-175.217071.2000109.4H30H30-L33 PolarHBondContact N-O 3.4Å
34V87.9Confident89.2Confident8 Ų832.9 Ų32.95%0.04817%0.171CC..BIsolated β-bridgetrans-107.9134.7163.5-173.20000108.3V28 D29 I119 L121V28-V34 WeakPolarHBondContact O-CA 3.43Å; D29-V34 HydrophobicContact CB-CG2 4.16Å; V34-I119 HydrophobicContact CB-CB 4.18Å; V34-I119 HydrophobicContact CG1-CB 3.79Å; V34-I119 HydrophobicContact CG1-CD1 4.15Å; V34-I119 HydrophobicContact CG1-CG1 4.41Å; V34-I119 HydrophobicContact CG1-CG2 4.15Å; V34-L121 HydrophobicContact CG2-CD2 3.84Å
35E89.9Confident88.9Confident25 Ų2531.3 Ų31.312%0.11717%0.171CC..  trans-55.7128.4173.2-69.7-172.9134.500110.3K24 F27 V28K24-E35 VanDerWaalsContact NZ-CD 3.33Å; K24-E35 IonicContact NZ-OE1 2.69Å; K24-E35 PolarHBondContact NZ-OE1 3.34Å; K24-E35 IonicContact NZ-OE2 3.71Å; K24-E35 PolarHBondContact NZ-OE2 3.27Å; F27-E35 HydrophobicContact CB-CB 4.45Å; F27-E35 HydrophobicContact CD1-CB 4.28Å; V28-E35 HydrophobicContact CB-CG 4.06Å; V28-E35 PolarHBondContact N-OE2 3.47Å; V28-E35 PolarHBondContact O-N 2.74Å
36P91.7Very high88.7Confident53 Ų5337.7 Ų37.734%0.34420%0.202SC..  trans-68.3149.317829.2-34.3000110.6F27 D38 T116 F117F27-P36 WeakPolarHBondContact CD1-O 3.12Å; F27-P36 WeakPolarHBondContact CE1-O 3.43Å; P36-D38 PolarHBondContact O-N 3.32Å; P36-T116 HydrophobicContact CB-CG2 4.05Å; P36-F117 CarbonylContact C-O 3.59Å; P36-F117 VanDerWaalsContact CA-O 3.3Å; P36-F117 WeakPolarHBondContact CA-O 3.42Å; P36-F117 WeakPolarHBondContact CB-O 3.41Å
37V93.9Very high88.3Confident0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-86.297.9173.7-177.70000108.3L22 F27 L57 T116 F117 I119 V146 I168L22-V37 HydrophobicContact CD2-CG1 4.06Å; F27-V37 HydrophobicContact CD1-CG2 4Å; F27-V37 HydrophobicContact CD2-CG2 4.05Å; F27-V37 HydrophobicContact CE1-CB 4.1Å; F27-V37 HydrophobicContact CE1-CG1 4.25Å; F27-V37 HydrophobicContact CE1-CG2 3.99Å; F27-V37 HydrophobicContact CE2-CG1 4.12Å; F27-V37 HydrophobicContact CE2-CG2 4.02Å; F27-V37 HydrophobicContact CG-CG2 4.03Å; F27-V37 HydrophobicContact CZ-CB 4.07Å; F27-V37 HydrophobicContact CZ-CG1 3.74Å; F27-V37 HydrophobicContact CZ-CG2 3.99Å; V37-L57 HydrophobicContact CG2-CD2 4.42Å; V37-T116 CarbonylContact O-C 3.54Å; V37-T116 VanDerWaalsContact O-CA 3.31Å; V37-T116 WeakPolarHBondContact O-CA 3.48Å; V37-F117 HydrophobicContact CB-CB 4.23Å; V37-F117 PolarHBondContact N-O 2.93Å; V37-F117 PolarHBondContact O-N 3.45Å; V37-I119 HydrophobicContact CG2-CD1 3.77Å; V37-I119 HydrophobicContact CG2-CG1 4.19Å; V37-V146 HydrophobicContact CG1-CG2 4.08Å; V37-I168 HydrophobicContact CG1-CD1 4.25Å; V37-I168 HydrophobicContact CG2-CD1 3.62Å
38D92.4Very high87.7Confident25 Ų2538.4 Ų38.413%0.13420%0.202CC..EExtended strand (participates in β ladder)trans-100.7136.3175.770.6-36.9000111.9L22 P36 T98 T116L22-D38 WeakPolarHBondContact CD2-O 3.45Å; P36-D38 PolarHBondContact O-N 3.32Å; D38-T98 HydrophobicContact CB-CG2 3.9Å; D38-T98 WeakPolarHBondContact OD2-CB 3.35Å; D38-T98 WeakPolarHBondContact OD2-CG2 3.45Å; D38-T98 PolarHBondContact OD2-OG1 3.26Å; D38-T116 HydrophobicContact CB-CG2 4.41Å
39G93.1Very high87.5Confident0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-161177.818000000113.6Y21 Q101 F115Y21-G39 WeakPolarHBondContact O-CA 3.36Å; G39-Q101 PolarHBondContact O-NE2 3.31Å; G39-F115 PolarHBondContact N-O 3.29Å; G39-F115 WeakPolarHBondContact O-CD1 3.5Å; G39-F115 PolarHBondContact O-N 3.07Å
40V94.1Very high87.2Confident0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-133.2138.5177.6178.10000109.3Y21 Q101 L104 I105 L108 A112 Y113Y21-V40 PolarHBondContact N-O 2.63Å; Y21-V40 PolarHBondContact O-N 3.16Å; V40-Q101 HydrophobicContact CG2-CB 4.24Å; V40-Q101 HydrophobicContact CG2-CG 4.02Å; V40-L104 HydrophobicContact CB-CB 4.33Å; V40-L104 HydrophobicContact CB-CD1 4.3Å; V40-L104 HydrophobicContact CG2-CB 3.81Å; V40-L104 HydrophobicContact CG2-CD1 3.96Å; V40-I105 HydrophobicContact CG1-CG1 4.43Å; V40-I105 HydrophobicContact CG2-CG1 4.38Å; V40-L108 HydrophobicContact CG1-CD1 4.15Å; V40-A112 HydrophobicContact CG1-CB 3.7Å; V40-Y113 CarbonylContact C-O 3.59Å; V40-Y113 WeakPolarHBondContact CA-O 3.39Å
41V94.8Very high87.4Confident0 Ų057.4 Ų57.40%028%0.284CS..EExtended strand (participates in β ladder)trans-107.2122.2172-176.80000109L18 T19 V20 I43 V53 V55 Y113 F115 A148L18-V41 HydrophobicContact CD1-CG1 3.33Å; L18-V41 HydrophobicContact CG-CG1 4.06Å; T19-V41 CarbonylContact O-C 3.52Å; T19-V41 WeakPolarHBondContact O-CA 3.48Å; V20-V41 HydrophobicContact CG2-CG2 4.31Å; V41-I43 HydrophobicContact CG1-CG1 3.88Å; V41-V53 HydrophobicContact CG1-CG1 4.28Å; V41-V55 HydrophobicContact CG2-CG2 3.67Å; V41-Y113 PolarHBondContact N-O 3.01Å; V41-Y113 PolarHBondContact O-N 2.57Å; V41-F115 HydrophobicContact CG2-CD1 3.65Å; V41-F115 HydrophobicContact CG2-CE1 3.57Å; V41-A148 HydrophobicContact CG2-CB 4.46Å
42L94.3Very high88.1Confident44 Ų4458.9 Ų58.923%0.2329%0.288CS..EExtended strand (participates in β ladder)trans-90.4128.2169.1-179.266.6000109T19 Y21 L108 H111T19-L42 PolarHBondContact N-O 3.26Å; T19-L42 PolarHBondContact O-N 3.44Å; Y21-L42 HydrophobicContact CD2-CB 4.47Å; Y21-L42 HydrophobicContact CE2-CB 3.75Å; Y21-L42 HydrophobicContact CE2-CD2 4.33Å; L42-L108 HydrophobicContact CD1-CB 4.42Å; L42-H111 HydrophobicContact CD1-CB 4.31Å
43I93.2Very high88.7Confident5 Ų552.2 Ų52.23%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-122.5139.3-177-41.3165.3000110.5L18 V41 P45 L48 V53 F87 H111 Y113L18-I43 HydrophobicContact CD1-CB 4.49Å; L18-I43 HydrophobicContact CD1-CG1 3.95Å; L18-I43 HydrophobicContact CD1-CG2 4.21Å; V41-I43 HydrophobicContact CG1-CG1 3.88Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; I43-L48 HydrophobicContact CB-CD1 3.98Å; I43-L48 HydrophobicContact CD1-CD1 4.32Å; I43-L48 HydrophobicContact CG2-CD1 3.22Å; I43-L48 HydrophobicContact CG2-CD2 4.1Å; I43-L48 HydrophobicContact CG2-CG 3.58Å; I43-V53 HydrophobicContact CD1-CB 3.94Å; I43-V53 HydrophobicContact CD1-CG1 4.27Å; I43-V53 HydrophobicContact CD1-CG2 3.6Å; I43-V53 HydrophobicContact CG1-CG2 4.16Å; I43-V53 HydrophobicContact CG2-CG2 4.05Å; I43-F87 HydrophobicContact CD1-CB 3.49Å; I43-F87 VanDerWaalsContact CD1-CB 3.49Å; I43-F87 HydrophobicContact CD1-CG 4.09Å; I43-H111 PolarHBondContact N-O 2.77Å; I43-H111 VanDerWaalsContact N-O 3.09Å; I43-H111 VanDerWaalsContact O-CB 3.28Å; I43-H111 WeakPolarHBondContact O-CB 3.31Å; I43-Y113 HydrophobicContact CD1-CD2 3.45Å; I43-Y113 VanDerWaalsContact CD1-CD2 3.45Å; I43-Y113 HydrophobicContact CD1-CE2 3.84Å; I43-Y113 HydrophobicContact CD1-CG 4.29Å; I43-Y113 HydrophobicContact CG1-CD2 4.06Å; I43-Y113 HydrophobicContact CG1-CE2 4.48Å
44D90.3Very high89.2Confident40 Ų4047.7 Ų47.721%0.21423%0.228CC..  trans-82.7112.3169.5-172.8-24.5000110.4K17 E46 Y47 L48K17-D44 HydrophobicContact CB-CB 4.25Å; K17-D44 HydrophobicContact CD-CB 3.85Å; K17-D44 WeakPolarHBondContact CD-OD2 3.33Å; K17-D44 WeakPolarHBondContact CE-OD2 3.35Å; K17-D44 IonicContact NZ-OD2 2.75Å; K17-D44 PolarHBondContact NZ-OD2 2.84Å; K17-D44 PolarHBondContact O-N 3.5Å; D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 2.8Å; D44-E46 WeakPolarHBondContact OD1-CB 3.29Å; D44-E46 PolarHBondContact OD1-N 3.02Å; D44-Y47 PolarHBondContact O-N 2.73Å; D44-L48 PolarHBondContact O-N 3.44Å
45P84.9Confident89.5Confident62 Ų6247.3 Ų47.340%0.40323%0.226SC..Hα-helixtrans-65-29.4-17729.4-37.6000112.9I43 Y47 L48I43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-Y47 PolarHBondContact O-N 2.81Å; P45-L48 PolarHBondContact O-N 3.3Å
46E84.9Confident89.7Confident164 Ų16446.6 Ų46.677%0.76622%0.223SC*.Hα-helixtrans-66.1-27.8178.9-62.3-174.1169.300111.5D44D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 2.8Å; D44-E46 WeakPolarHBondContact OD1-CB 3.29Å; D44-E46 PolarHBondContact OD1-N 3.02Å
47Y82.4Confident89.9Confident59 Ų5944.1 Ų44.123%0.23121%0.207CC..Hα-helixtrans-83.2-29.4179.5-173.6-109000113.1N15 K17 D44 P45 R51 N162N15-Y47 VanDerWaalsContact ND2-CZ 3.31Å; N15-Y47 PolarHBondContact ND2-OH 3.09Å; K17-Y47 HydrophobicContact CB-CD1 3.67Å; K17-Y47 HydrophobicContact CB-CD2 4.39Å; K17-Y47 HydrophobicContact CB-CE1 4.23Å; K17-Y47 HydrophobicContact CB-CG 3.75Å; K17-Y47 HydrophobicContact CD-CG 4.33Å; K17-Y47 HydrophobicContact CG-CD1 4.07Å; K17-Y47 HydrophobicContact CG-CD2 3.85Å; K17-Y47 HydrophobicContact CG-CE2 4.39Å; K17-Y47 HydrophobicContact CG-CG 3.67Å; D44-Y47 PolarHBondContact O-N 2.73Å; P45-Y47 PolarHBondContact O-N 2.81Å; Y47-R51 PolarHBondContact O-NH2 3.29Å; Y47-R51 PolarHBondContact OH-NH1 3.04Å; Y47-N162 HydrophobicContact CE1-CB 4.15Å
48L77.9Confident89.8Confident6 Ų644.7 Ų44.73%0.03121%0.21CC..Hα-helixtrans-66.5-42.7-169.9-90163.7000113.5I43 D44 P45 E50 R51 V53 F87I43-L48 HydrophobicContact CB-CD1 3.98Å; I43-L48 HydrophobicContact CD1-CD1 4.32Å; I43-L48 HydrophobicContact CG2-CD1 3.22Å; I43-L48 HydrophobicContact CG2-CD2 4.1Å; I43-L48 HydrophobicContact CG2-CG 3.58Å; D44-L48 PolarHBondContact O-N 3.44Å; P45-L48 PolarHBondContact O-N 3.3Å; L48-E50 PolarHBondContact O-N 3.19Å; L48-E50 VanDerWaalsContact O-N 3.15Å; L48-R51 VanDerWaalsContact CD2-O 3.32Å; L48-R51 WeakPolarHBondContact CD2-O 3.19Å; L48-R51 VanDerWaalsContact O-CB 3.31Å; L48-R51 WeakPolarHBondContact O-CB 3.32Å; L48-R51 PolarHBondContact O-N 3.35Å; L48-V53 HydrophobicContact CD2-CG2 3.56Å; L48-F87 HydrophobicContact CD1-CD1 3.66Å; L48-F87 HydrophobicContact CD1-CE1 3.69Å; L48-F87 HydrophobicContact CD1-CG 4.2Å; L48-F87 HydrophobicContact CD1-CZ 4.25Å; L48-F87 HydrophobicContact CD2-CD1 3.96Å; L48-F87 HydrophobicContact CD2-CE1 4.32Å; L48-F87 HydrophobicContact CG-CD1 4.38Å; L48-F87 HydrophobicContact CG-CE1 4.41Å
49K82.7Confident89.8Confident188 Ų18843.5 Ų43.582%0.81720%0.204SC*.THydrogen-bonded Turntrans46.8-118.1-171.4-59.9-176178.5-177.10110.4
50E81.1Confident89.6Confident188 Ų18843.6 Ų43.688%0.87921%0.205SC*.THydrogen-bonded Turntrans-965.2178.2-62.7-174170.500114L48L48-E50 PolarHBondContact O-N 3.19Å; L48-E50 VanDerWaalsContact O-N 3.15Å
51R87.1Confident89.2Confident60 Ų6043.6 Ų43.623%0.22621%0.205CC..  trans-83.1155.2-177.8-62.5-179.3-69.7-179.7-2.3111.8Y47 L48 E152Y47-R51 PolarHBondContact O-NH2 3.29Å; Y47-R51 PolarHBondContact OH-NH1 3.04Å; L48-R51 VanDerWaalsContact CD2-O 3.32Å; L48-R51 WeakPolarHBondContact CD2-O 3.19Å; L48-R51 VanDerWaalsContact O-CB 3.31Å; L48-R51 WeakPolarHBondContact O-CB 3.32Å; L48-R51 PolarHBondContact O-N 3.35Å; R51-E152 HydrophobicContact CG-CG 3.99Å
52K91.1Very high88.6Confident67 Ų6745.4 Ų45.429%0.29121%0.212SC..EExtended strand (participates in β ladder)trans-102.3159.9177.9-57.2177.6-175.8164.80110.3F54 F87 C150 A151K52-F54 HydrophobicContact CB-CD2 4.41Å; K52-F54 HydrophobicContact CB-CE2 3.67Å; K52-F54 HydrophobicContact CB-CZ 3.76Å; K52-F54 HydrophobicContact CD-CE2 4.36Å; K52-F54 HydrophobicContact CD-CZ 3.76Å; K52-F54 HydrophobicContact CG-CZ 4.42Å; K52-F87 CarbonylContact C-O 3.59Å; K52-F87 VanDerWaalsContact CA-O 3.29Å; K52-F87 WeakPolarHBondContact CA-O 3.44Å; K52-F87 WeakPolarHBondContact CB-O 3.43Å; K52-C150 CarbonylContact O-C 3.55Å; K52-C150 VanDerWaalsContact O-CA 3.25Å; K52-C150 WeakPolarHBondContact O-CA 3.44Å; K52-A151 CarbonylContact C-O 3.41Å; K52-A151 WeakPolarHBondContact CA-O 3.43Å; K52-A151 WeakPolarHBondContact CB-O 3.36Å; K52-A151 PolarHBondContact N-O 2.93Å; K52-A151 PolarHBondContact O-N 2.95Å; K52-A151 VanDerWaalsContact O-O 3.07Å
53V92.1Very high87.7Confident0 Ų047.1 Ų47.10%022%0.216CC..EExtended strand (participates in β ladder)trans-114.3124.6170.7-179.10000109.3L18 V41 I43 L48 A86 F87 F149L18-V53 HydrophobicContact CD1-CG1 3.87Å; L18-V53 HydrophobicContact CD1-CG2 4.32Å; V41-V53 HydrophobicContact CG1-CG1 4.28Å; I43-V53 HydrophobicContact CD1-CB 3.94Å; I43-V53 HydrophobicContact CD1-CG1 4.27Å; I43-V53 HydrophobicContact CD1-CG2 3.6Å; I43-V53 HydrophobicContact CG1-CG2 4.16Å; I43-V53 HydrophobicContact CG2-CG2 4.05Å; L48-V53 HydrophobicContact CD2-CG2 3.56Å; V53-A86 HydrophobicContact CG1-CB 4.32Å; V53-A86 PolarHBondContact O-N 3.04Å; V53-F87 HydrophobicContact CB-CB 4.07Å; V53-F87 HydrophobicContact CG2-CB 4.27Å; V53-F87 PolarHBondContact N-O 2.91Å; V53-F87 PolarHBondContact O-N 3.16Å; V53-F149 WeakPolarHBondContact CA-O 3.16Å
54F93.4Very high86.1Confident8 Ų847.8 Ų47.84%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-112.7144.6175.3-59.1-77.4000109.7K52 I84 Q85 A148 F149 A151 L154K52-F54 HydrophobicContact CB-CD2 4.41Å; K52-F54 HydrophobicContact CB-CE2 3.67Å; K52-F54 HydrophobicContact CB-CZ 3.76Å; K52-F54 HydrophobicContact CD-CE2 4.36Å; K52-F54 HydrophobicContact CD-CZ 3.76Å; K52-F54 HydrophobicContact CG-CZ 4.42Å; F54-I84 WeakPolarHBondContact CA-O 3.39Å; F54-Q85 HydrophobicContact CD1-CB 3.98Å; F54-Q85 HydrophobicContact CD1-CG 4.09Å; F54-Q85 HydrophobicContact CE1-CB 3.91Å; F54-Q85 HydrophobicContact CE1-CG 3.76Å; F54-A148 CarbonylContact O-C 3.58Å; F54-A148 VanDerWaalsContact O-CA 3.31Å; F54-A148 WeakPolarHBondContact O-CA 3.42Å; F54-F149 HydrophobicContact CB-CD2 4.44Å; F54-F149 HydrophobicContact CB-CE1 4.17Å; F54-F149 HydrophobicContact CB-CE2 3.9Å; F54-F149 HydrophobicContact CB-CZ 3.75Å; F54-F149 HydrophobicContact CD2-CD2 4.43Å; F54-F149 AromaticContact CD2-CE2 3.83Å; F54-F149 HydrophobicContact CD2-CE2 3.83Å; F54-F149 HydrophobicContact CD2-CZ 4.4Å; F54-F149 HydrophobicContact CG-CE2 4.27Å; F54-F149 HydrophobicContact CG-CZ 4.41Å; F54-F149 PolarHBondContact N-O 2.88Å; F54-F149 PolarHBondContact O-N 2.99Å; F54-A151 HydrophobicContact CD2-CB 4.37Å; F54-A151 HydrophobicContact CE2-CB 4.41Å; F54-L154 HydrophobicContact CB-CD2 4.01Å; F54-L154 HydrophobicContact CD1-CD2 3.44Å; F54-L154 VanDerWaalsContact CD1-CD2 3.44Å; F54-L154 HydrophobicContact CD1-CG 3.96Å; F54-L154 HydrophobicContact CD2-CD2 4.03Å; F54-L154 HydrophobicContact CE1-CD1 4.33Å; F54-L154 HydrophobicContact CE1-CD2 3.82Å; F54-L154 HydrophobicContact CE1-CG 3.77Å; F54-L154 HydrophobicContact CE2-CD2 4.36Å; F54-L154 HydrophobicContact CE2-CG 4.38Å; F54-L154 HydrophobicContact CG-CD2 3.54Å; F54-L154 HydrophobicContact CG-CG 4.33Å; F54-L154 HydrophobicContact CZ-CD2 4.25Å; F54-L154 HydrophobicContact CZ-CG 3.99Å
55V94.5Very high84.4Confident0 Ų050.8 Ų50.80%023%0.232CC..EExtended strand (participates in β ladder)trans-117.5136167.6-167.40000107.1V41 N83 I84 A86 F115 F117 V146 K147 A148V41-V55 HydrophobicContact CG2-CG2 3.67Å; V55-N83 WeakPolarHBondContact O-CA 3.49Å; V55-I84 PolarHBondContact N-O 2.93Å; V55-I84 PolarHBondContact O-N 2.94Å; V55-A86 HydrophobicContact CG2-CB 4.03Å; V55-F115 HydrophobicContact CB-CG 4.4Å; V55-F115 HydrophobicContact CG1-CD2 3.95Å; V55-F115 HydrophobicContact CG1-CE2 3.98Å; V55-F115 HydrophobicContact CG1-CG 4.22Å; V55-F115 HydrophobicContact CG1-CZ 4.25Å; V55-F115 HydrophobicContact CG2-CB 4.5Å; V55-F115 HydrophobicContact CG2-CD1 4.16Å; V55-F115 HydrophobicContact CG2-CG 4.22Å; V55-F117 HydrophobicContact CB-CE2 4.22Å; V55-F117 HydrophobicContact CB-CZ 4.12Å; V55-F117 HydrophobicContact CG1-CE2 3.69Å; V55-F117 HydrophobicContact CG1-CZ 4.02Å; V55-F117 WeakPolarHBondContact O-CZ 3.42Å; V55-V146 HydrophobicContact CG1-CG1 3.93Å; V55-K147 CarbonylContact C-O 3.56Å; V55-K147 WeakPolarHBondContact CA-O 3.49Å; V55-A148 HydrophobicContact CG2-CB 4.19Å
56T94.3Very high82.5Confident10 Ų1052.7 Ų52.76%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-130.5129.1-177.465.60000109.6A82 N83 V146 K147 F149T56-A82 CarbonylContact C-O 3.56Å; T56-A82 VanDerWaalsContact CA-O 3.23Å; T56-A82 WeakPolarHBondContact CA-O 3.44Å; T56-N83 WeakPolarHBondContact CB-OD1 3.4Å; T56-N83 HydrophobicContact CG2-CB 4.25Å; T56-N83 WeakPolarHBondContact CG2-OD1 3.35Å; T56-V146 WeakPolarHBondContact O-CA 3.37Å; T56-K147 PolarHBondContact N-O 3.22Å; T56-K147 PolarHBondContact O-N 2.82Å; T56-K147 PolarHBondContact OG1-O 2.8Å; T56-F149 HydrophobicContact CG2-CE1 3.54Å; T56-F149 HydrophobicContact CG2-CZ 4.07Å
57L95.1Very high80.5Confident0 Ų049.9 Ų49.90%023%0.226CC..EExtended strand (participates in β ladder)trans-98.7119.4167.8-179.165.5000108.8V37 F80 V81 A82 F117 I119 E145 V146 I168V37-L57 HydrophobicContact CG2-CD2 4.42Å; L57-F80 HydrophobicContact CD2-CE1 4.28Å; L57-V81 WeakPolarHBondContact O-CA 3.45Å; L57-A82 PolarHBondContact N-O 2.85Å; L57-A82 PolarHBondContact O-N 3.31Å; L57-F117 HydrophobicContact CB-CB 4.31Å; L57-F117 HydrophobicContact CB-CD1 3.83Å; L57-F117 HydrophobicContact CB-CD2 3.91Å; L57-F117 HydrophobicContact CB-CE1 4.07Å; L57-F117 HydrophobicContact CB-CE2 4.16Å; L57-F117 HydrophobicContact CB-CG 3.75Å; L57-F117 HydrophobicContact CB-CZ 4.23Å; L57-F117 HydrophobicContact CD2-CB 3.68Å; L57-F117 HydrophobicContact CD2-CG 4.07Å; L57-I119 HydrophobicContact CD2-CD1 4.37Å; L57-I119 HydrophobicContact CD2-CG1 3.83Å; L57-E145 CarbonylContact C-O 3.51Å; L57-E145 WeakPolarHBondContact CA-O 3.43Å; L57-V146 HydrophobicContact CD1-CG2 3.79Å; L57-I168 HydrophobicContact CD1-CD1 3.86Å
58T92.7Very high78.5Confident12 Ų1252 Ų527%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-120.1123.8178.8-54.70000110.3A60 D78 F80 V81 F144 E145T58-A60 HydrophobicContact CG2-CB 4.22Å; T58-D78 HydrophobicContact CG2-CB 4.42Å; T58-F80 CarbonylContact C-O 3.58Å; T58-F80 WeakPolarHBondContact CA-O 3.3Å; T58-V81 HydrophobicContact CG2-CG2 4.2Å; T58-F144 CarbonylContact O-C 3.49Å; T58-F144 WeakPolarHBondContact O-CA 3.25Å; T58-E145 PolarHBondContact N-O 2.68Å; T58-E145 PolarHBondContact O-N 3.22Å
59C91.9Very high76.8Confident0 Ų059.5 Ų59.50%028%0.281CS..EExtended strand (participates in β ladder)trans-97.4118.3163.3-178.80000107.5L79 F80 L123 D143 F144C59-L79 HydrophobicContact CB-CB 4.46Å; C59-L79 PolarHBondContact O-N 3.15Å; C59-F80 HydrophobicContact CB-CB 3.9Å; C59-F80 PolarHBondContact N-O 2.95Å; C59-F80 PolarHBondContact O-N 3.47Å; C59-F80 VanDerWaalsContact O-N 3.16Å; C59-L123 HydrophobicContact CB-CD1 4.33Å; C59-D143 WeakPolarHBondContact CA-O 3.48Å; C59-F144 HydrophobicContact CB-CD1 3.94Å; C59-F144 HydrophobicContact CB-CE1 3.67Å; C59-F144 HydrophobicContact CB-CZ 4.04Å; C59-F144 VanDerWaalsContact SG-CZ 3.5Å
60A88.9Confident74.9Confident2 Ų257.3 Ų57.32%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-129.7135.9-178.700000111.5T58 R76 K77 D78 V142 D143T58-A60 HydrophobicContact CG2-CB 4.22Å; A60-R76 HydrophobicContact CB-CG 4.29Å; A60-K77 CarbonylContact C-O 3.59Å; A60-K77 WeakPolarHBondContact CA-O 3.31Å; A60-D78 WeakPolarHBondContact CB-OD1 3.4Å; A60-V142 WeakPolarHBondContact O-CA 3.48Å; A60-D143 PolarHBondContact N-O 2.68Å; A60-D143 PolarHBondContact O-N 3.48Å
61F86.7Confident73.4Confident0 Ų056.4 Ų56.40%028%0.283CS..EExtended strand (participates in β ladder)trans-85.6128.4164.3-178.8-89.9000109.2F75 R76 K77 L79 G141 V142 I241 L243 I317F61-F75 HydrophobicContact CD1-CD1 4.28Å; F61-F75 HydrophobicContact CD1-CE1 4.3Å; F61-R76 WeakPolarHBondContact O-CA 3.42Å; F61-K77 PolarHBondContact N-O 2.91Å; F61-K77 PolarHBondContact O-N 2.8Å; F61-L79 HydrophobicContact CB-CD1 4.2Å; F61-L79 HydrophobicContact CB-CD2 4.45Å; F61-L79 HydrophobicContact CB-CG 4.31Å; F61-G141 CarbonylContact C-O 3.57Å; F61-G141 WeakPolarHBondContact CA-O 3.37Å; F61-V142 HydrophobicContact CD2-CG2 3.9Å; F61-I241 HydrophobicContact CZ-CG2 4.03Å; F61-L243 HydrophobicContact CB-CD2 4.09Å; F61-L243 HydrophobicContact CD1-CB 4.44Å; F61-L243 HydrophobicContact CD1-CD2 3.34Å; F61-L243 HydrophobicContact CE1-CB 4.2Å; F61-L243 HydrophobicContact CE1-CD2 3.81Å; F61-L243 HydrophobicContact CG-CD2 3.74Å; F61-L243 HydrophobicContact CZ-CB 4.26Å; F61-I317 HydrophobicContact CE2-CD1 4.22Å; F61-I317 HydrophobicContact CE2-CG1 3.77Å
62R82.2Confident71.6Confident39 Ų3955 Ų5515%0.14729%0.287CS..EExtended strand (participates in β ladder)trans-119.8138.3179.5-63.2179.1-177.9-165.3-1.9110F75 R76 C140 G141 E145 R165R62-F75 WeakPolarHBondContact CA-O 3.25Å; R62-R76 HydrophobicContact CG-CG 4.45Å; R62-C140 CarbonylContact O-C 3.5Å; R62-C140 VanDerWaalsContact O-CA 3.26Å; R62-C140 WeakPolarHBondContact O-CA 3.33Å; R62-C140 PolarHBondContact O-SG 3.29Å; R62-C140 VanDerWaalsContact O-SG 3.39Å; R62-G141 PolarHBondContact N-O 3.15Å; R62-G141 PolarHBondContact O-N 2.75Å; R62-E145 IonicContact NH2-OE1 3.35Å; R62-E145 PolarHBondContact NH2-OE1 2.95Å; R62-R165 VanDerWaalsContact NH1-NH2 3.19Å
63Y74.6Confident69.8Low80 Ų8058.3 Ų58.331%0.31431%0.308SS..EExtended strand (participates in β ladder)trans-149.1124.8177.2178.3-84.7000108.8F75 C140Y63-F75 PolarHBondContact N-O 3.4Å; Y63-F75 WeakPolarHBondContact O-CA 3.15Å; Y63-F75 PolarHBondContact O-N 3.3Å; Y63-C140 HydrophobicContact CD2-CB 4.12Å
64G60.3Low68.3Low19 Ų1962.6 Ų62.620%0.19633%0.334CS..  trans143.1164.1165.200000116.7K138G64-K138 PolarHBondContact O-N 2.83Å
65R53.5Low67.2Low103 Ų10365.1 Ų65.139%0.38935%0.345SS..  trans-91.6122.4-179.1-153.9-178.9-177.7152.35.3108.7D67 T74 E134 T136R65-D67 VanDerWaalsContact C-N 3.34Å; R65-T74 WeakPolarHBondContact O-CG2 3.32Å; R65-E134 PolarHBondContact NH2-O 3.32Å; R65-T136 WeakPolarHBondContact CG-O 3.47Å; R65-T136 PolarHBondContact NE-OG1 2.84Å; R65-T136 PolarHBondContact NH2-OG1 2.84Å
66E45.4Very low66.6Low101 Ų10171.1 Ų71.147%0.47237%0.368SS..SBendtrans-77.3-18.7-179.2-77.6-171.1146.500112.7L68 T74 K138E66-L68 PolarHBondContact O-N 3.22Å; E66-T74 HydrophobicContact CG-CG2 4.07Å; E66-K138 HydrophobicContact CG-CD 4.45Å; E66-K138 WeakPolarHBondContact OE1-CD 3.45Å; E66-K138 WeakPolarHBondContact OE1-CE 3.42Å; E66-K138 IonicContact OE1-NZ 3.97Å; E66-K138 PolarHBondContact OE1-NZ 2.84Å; E66-K138 WeakPolarHBondContact OE2-CD 3.33Å; E66-K138 WeakPolarHBondContact OE2-CE 3.33Å; E66-K138 IonicContact OE2-NZ 2.95Å; E66-K138 PolarHBondContact OE2-NZ 2.57Å
67D42.1Very low66.2Low106 Ų10674.9 Ų74.957%0.56738%0.383SS*.SBendtrans-87.811.5-165.9-52-19000116.5R65 T136R65-D67 VanDerWaalsContact C-N 3.34Å; D67-T136 WeakPolarHBondContact OD2-CB 3.31Å; D67-T136 PolarHBondContact OD2-OG1 2.77Å
68L41.9Very low65.8Low103 Ų10378.6 Ų78.654%0.53940%0.403SS..  trans-127.466.8-176.7-82.6167.3000112.5E66 V70 L71 G72E66-L68 PolarHBondContact O-N 3.22Å; L68-V70 PolarHBondContact O-N 3.5Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-G72 VanDerWaalsContact O-CA 3.26Å; L68-G72 WeakPolarHBondContact O-CA 3.47Å; L68-G72 PolarHBondContact O-N 2.93Å
69D42Very low65.6Low164 Ų16479.6 Ų79.688%0.87741%0.408SS*.THydrogen-bonded Turntrans-76.741.6-179.1-134.712.3000114.3
70V41.3Very low65.5Low141 Ų14181.9 Ų81.986%0.85542%0.418SS*.THydrogen-bonded Turntrans-132.5-23.7164.1-171.40000112.5L68L68-V70 PolarHBondContact O-N 3.5Å
71L50.3Low65.7Low169 Ų16985 Ų8589%0.88544%0.436SS*.THydrogen-bonded Turntrans-155.314.4172-91.6170.4000114.1L68L68-L71 PolarHBondContact O-N 2.89Å
72G49.4Very low66Low31 Ų3186.1 Ų86.132%0.3245%0.445SS..  trans-86.2111.8-175.300000113.6L68 T74L68-G72 VanDerWaalsContact O-CA 3.26Å; L68-G72 WeakPolarHBondContact O-CA 3.47Å; L68-G72 PolarHBondContact O-N 2.93Å; G72-T74 PolarHBondContact O-N 3.11Å
73L53.4Low66.5Low137 Ų13788 Ų8872%0.71746%0.459SS*.  trans-76.993.5-178.3-63.2168.1000110.8
74T60.8Low67.3Low89 Ų8985.7 Ų85.755%0.54645%0.451SS..  trans-75.5119.1156.553.80000108R65 E66 G72R65-T74 WeakPolarHBondContact O-CG2 3.32Å; E66-T74 HydrophobicContact CG-CG2 4.07Å; G72-T74 PolarHBondContact O-N 3.11Å
75F69.8Low68.8Low62 Ų6286.2 Ų86.227%0.27245%0.449SS..EExtended strand (participates in β ladder)trans-115.3127.1-177-177.4-94.4000109.7F61 R62 Y63 K77 L243 F244F61-F75 HydrophobicContact CD1-CD1 4.28Å; F61-F75 HydrophobicContact CD1-CE1 4.3Å; R62-F75 WeakPolarHBondContact CA-O 3.25Å; Y63-F75 PolarHBondContact N-O 3.4Å; Y63-F75 WeakPolarHBondContact O-CA 3.15Å; Y63-F75 PolarHBondContact O-N 3.3Å; F75-K77 HydrophobicContact CE1-CB 3.57Å; F75-K77 HydrophobicContact CZ-CB 3.76Å; F75-K77 HydrophobicContact CZ-CD 4.45Å; F75-L243 HydrophobicContact CE1-CD2 3.66Å; F75-L243 HydrophobicContact CZ-CD2 4.37Å; F75-F244 HydrophobicContact CE2-CD2 4.4Å
76R82Confident70.5Confident126 Ų12681.5 Ų81.548%0.47543%0.432SS..EExtended strand (participates in β ladder)trans-131.2122172.7177.9-178.9167.1176.2-4108.2A60 F61 R62 D78A60-R76 HydrophobicContact CB-CG 4.29Å; F61-R76 WeakPolarHBondContact O-CA 3.42Å; R62-R76 HydrophobicContact CG-CG 4.45Å; R76-D78 IonicContact CZ-OD1 3.14Å; R76-D78 IonicContact NE-OD1 3.15Å; R76-D78 PolarHBondContact NE-OD1 3.37Å; R76-D78 IonicContact NH2-OD1 2.74Å; R76-D78 PolarHBondContact NH2-OD1 2.72Å; R76-D78 IonicContact NH2-OD2 2.68Å
77K85.4Confident72.6Confident89 Ų8979 Ų7939%0.38742%0.42SS..EExtended strand (participates in β ladder)trans-115.3116.4170.1-174.6177.4-174.5177.70108.6A60 F61 F75 L79 L243A60-K77 CarbonylContact C-O 3.59Å; A60-K77 WeakPolarHBondContact CA-O 3.31Å; F61-K77 PolarHBondContact N-O 2.91Å; F61-K77 PolarHBondContact O-N 2.8Å; F75-K77 HydrophobicContact CE1-CB 3.57Å; F75-K77 HydrophobicContact CZ-CB 3.76Å; F75-K77 HydrophobicContact CZ-CD 4.45Å; K77-L79 HydrophobicContact CD-CD2 4.26Å; K77-L79 HydrophobicContact CG-CD2 4.31Å; K77-L79 PolarHBondContact O-N 2.82Å; K77-L243 HydrophobicContact CB-CD2 4.08Å; K77-L243 HydrophobicContact CD-CD1 3.92Å; K77-L243 HydrophobicContact CD-CD2 3.74Å; K77-L243 HydrophobicContact CD-CG 4.36Å
78D87.9Confident74.8Confident77 Ų7776.6 Ų76.641%0.41241%0.41SS..EExtended strand (participates in β ladder)trans-73.5115.1170.6-63.8-26.5000107.8T58 A60 R76 V81T58-D78 HydrophobicContact CG2-CB 4.42Å; A60-D78 WeakPolarHBondContact CB-OD1 3.4Å; R76-D78 IonicContact CZ-OD1 3.14Å; R76-D78 IonicContact NE-OD1 3.15Å; R76-D78 PolarHBondContact NE-OD1 3.37Å; R76-D78 IonicContact NH2-OD1 2.74Å; R76-D78 PolarHBondContact NH2-OD1 2.72Å; R76-D78 IonicContact NH2-OD2 2.68Å; D78-V81 HydrophobicContact CB-CG2 3.97Å
79L87.4Confident76.7Confident34 Ų3475.7 Ų75.718%0.17841%0.41CS..EExtended strand (participates in β ladder)trans-83.5-30.7178.9-58.9177.6000111C59 F61 K77 P124 V142C59-L79 HydrophobicContact CB-CB 4.46Å; C59-L79 PolarHBondContact O-N 3.15Å; F61-L79 HydrophobicContact CB-CD1 4.2Å; F61-L79 HydrophobicContact CB-CD2 4.45Å; F61-L79 HydrophobicContact CB-CG 4.31Å; K77-L79 HydrophobicContact CD-CD2 4.26Å; K77-L79 HydrophobicContact CG-CD2 4.31Å; K77-L79 PolarHBondContact O-N 2.82Å; L79-P124 HydrophobicContact CD1-CG 3.71Å; L79-V142 HydrophobicContact CD1-CG1 4.48Å
80F90.9Very high78.6Confident47 Ų4771.3 Ų71.321%0.20639%0.386CS..EExtended strand (participates in β ladder)trans-153.9141177.9175.9-103.2000110.6L57 T58 C59 A82 P120 L123L57-F80 HydrophobicContact CD2-CE1 4.28Å; T58-F80 CarbonylContact C-O 3.58Å; T58-F80 WeakPolarHBondContact CA-O 3.3Å; C59-F80 HydrophobicContact CB-CB 3.9Å; C59-F80 PolarHBondContact N-O 2.95Å; C59-F80 PolarHBondContact O-N 3.47Å; C59-F80 VanDerWaalsContact O-N 3.16Å; F80-A82 HydrophobicContact CE1-CB 3.65Å; F80-A82 HydrophobicContact CZ-CB 3.62Å; F80-P120 HydrophobicContact CD2-CG 3.92Å; F80-P120 HydrophobicContact CE2-CG 3.47Å; F80-P120 VanDerWaalsContact CE2-CG 3.47Å; F80-P120 HydrophobicContact CZ-CG 3.84Å; F80-L123 HydrophobicContact CB-CD1 3.56Å; F80-L123 HydrophobicContact CB-CD2 3.75Å; F80-L123 HydrophobicContact CB-CG 4.32Å; F80-L123 HydrophobicContact CD1-CD1 3.84Å; F80-L123 HydrophobicContact CD2-CD1 4.22Å; F80-L123 HydrophobicContact CG-CD1 3.63Å; F80-L123 HydrophobicContact CG-CD2 4.47Å
81V92.6Very high80Confident68 Ų6870 Ų7041%0.41238%0.381SS..EExtended strand (participates in β ladder)trans-138.4126.1173.3-176.20000108L57 T58 D78L57-V81 WeakPolarHBondContact O-CA 3.45Å; T58-V81 HydrophobicContact CG2-CG2 4.2Å; D78-V81 HydrophobicContact CB-CG2 3.97Å
82A93.3Very high80.6Confident23 Ų2371.2 Ų71.219%0.1938%0.382CS..EExtended strand (participates in β ladder)trans-125.5138.1168.700000109.2T56 L57 F80 F117T56-A82 CarbonylContact C-O 3.56Å; T56-A82 VanDerWaalsContact CA-O 3.23Å; T56-A82 WeakPolarHBondContact CA-O 3.44Å; L57-A82 PolarHBondContact N-O 2.85Å; L57-A82 PolarHBondContact O-N 3.31Å; F80-A82 HydrophobicContact CE1-CB 3.65Å; F80-A82 HydrophobicContact CZ-CB 3.62Å; A82-F117 HydrophobicContact CB-CD1 3.73Å; A82-F117 HydrophobicContact CB-CE1 3.91Å; A82-F117 WeakPolarHBondContact O-CE1 3.48Å
83N92.6Very high81.1Confident80 Ų8074.3 Ų74.343%0.42839%0.388SS..EExtended strand (participates in β ladder)trans-124.9138.4-177.3-53.6-46.6000109V55 T56 L154V55-N83 WeakPolarHBondContact O-CA 3.49Å; T56-N83 WeakPolarHBondContact CB-OD1 3.4Å; T56-N83 HydrophobicContact CG2-CB 4.25Å; T56-N83 WeakPolarHBondContact CG2-OD1 3.35Å; N83-L154 HydrophobicContact CB-CD2 4.4Å
84I91.3Very high81.5Confident30 Ų3076.8 Ų76.815%0.15439%0.393CS..EExtended strand (participates in β ladder)trans-130.3137.3174.9-69.5173.2000108.1F54 V55 A86 F115 T116 F117F54-I84 WeakPolarHBondContact CA-O 3.39Å; V55-I84 PolarHBondContact N-O 2.93Å; V55-I84 PolarHBondContact O-N 2.94Å; I84-A86 PolarHBondContact O-N 3.29Å; I84-F115 HydrophobicContact CG2-CB 4.37Å; I84-T116 WeakPolarHBondContact CD1-O 3.47Å; I84-F117 HydrophobicContact CB-CE1 4.19Å; I84-F117 HydrophobicContact CB-CZ 4.09Å; I84-F117 HydrophobicContact CD1-CD1 3.71Å; I84-F117 HydrophobicContact CD1-CD2 4.5Å; I84-F117 HydrophobicContact CD1-CE1 3.48Å; I84-F117 VanDerWaalsContact CD1-CE1 3.48Å; I84-F117 HydrophobicContact CD1-CE2 4.3Å; I84-F117 HydrophobicContact CD1-CG 4.22Å; I84-F117 HydrophobicContact CD1-CZ 3.79Å; I84-F117 HydrophobicContact CG1-CD1 4.21Å; I84-F117 HydrophobicContact CG1-CE1 3.57Å; I84-F117 HydrophobicContact CG1-CZ 3.95Å
85Q91.6Very high81.9Confident30 Ų3077.9 Ų77.914%0.1439%0.39CS..EExtended strand (participates in β ladder)trans-89.2101.3171.8-173.1179.2-64.100109.2F54 P88 L90F54-Q85 HydrophobicContact CD1-CB 3.98Å; F54-Q85 HydrophobicContact CD1-CG 4.09Å; F54-Q85 HydrophobicContact CE1-CB 3.91Å; F54-Q85 HydrophobicContact CE1-CG 3.76Å; Q85-P88 PolarHBondContact NE2-O 3.2Å; Q85-L90 HydrophobicContact CB-CD1 4.06Å; Q85-L90 HydrophobicContact CB-CG 4.43Å
86A89.4Confident82.4Confident5 Ų580.2 Ų80.24%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-72.5-35.4178.600000112.1V53 V55 I84V53-A86 HydrophobicContact CG1-CB 4.32Å; V53-A86 PolarHBondContact O-N 3.04Å; V55-A86 HydrophobicContact CG2-CB 4.03Å; I84-A86 PolarHBondContact O-N 3.29Å
87F89.4Confident82.6Confident49 Ų4977.8 Ų77.822%0.21541%0.41CS..EExtended strand (participates in β ladder)trans-144.4137.1177.2-177.5-93000112.1I43 L48 K52 V53 Y113I43-F87 HydrophobicContact CD1-CB 3.49Å; I43-F87 VanDerWaalsContact CD1-CB 3.49Å; I43-F87 HydrophobicContact CD1-CG 4.09Å; L48-F87 HydrophobicContact CD1-CD1 3.66Å; L48-F87 HydrophobicContact CD1-CE1 3.69Å; L48-F87 HydrophobicContact CD1-CG 4.2Å; L48-F87 HydrophobicContact CD1-CZ 4.25Å; L48-F87 HydrophobicContact CD2-CD1 3.96Å; L48-F87 HydrophobicContact CD2-CE1 4.32Å; L48-F87 HydrophobicContact CG-CD1 4.38Å; L48-F87 HydrophobicContact CG-CE1 4.41Å; K52-F87 CarbonylContact C-O 3.59Å; K52-F87 VanDerWaalsContact CA-O 3.29Å; K52-F87 WeakPolarHBondContact CA-O 3.44Å; K52-F87 WeakPolarHBondContact CB-O 3.43Å; V53-F87 HydrophobicContact CB-CB 4.07Å; V53-F87 HydrophobicContact CG2-CB 4.27Å; V53-F87 PolarHBondContact N-O 2.91Å; V53-F87 PolarHBondContact O-N 3.16Å; F87-Y113 HydrophobicContact CD2-CD1 4.4Å; F87-Y113 HydrophobicContact CD2-CD2 4.49Å; F87-Y113 AromaticContact CD2-CE1 3.74Å; F87-Y113 HydrophobicContact CD2-CE1 3.74Å; F87-Y113 AromaticContact CD2-CE2 3.83Å; F87-Y113 HydrophobicContact CD2-CE2 3.83Å; F87-Y113 AromaticContact CD2-CZ 3.41Å; F87-Y113 VanDerWaalsContact CD2-CZ 3.41Å; F87-Y113 WeakPolarHBondContact CD2-OH 3Å; F87-Y113 HydrophobicContact CE2-CE1 4.34Å; F87-Y113 HydrophobicContact CE2-CE2 4.44Å; F87-Y113 AromaticContact CE2-CZ 3.82Å; F87-Y113 VanDerWaalsContact CE2-OH 3.31Å; F87-Y113 WeakPolarHBondContact CE2-OH 3.38Å
88P87.3Confident82.7Confident54 Ų5475.4 Ų75.435%0.35140%0.403SS..THydrogen-bonded Turncis-66.3146.5-10.627.5-33.2000111.2Q85 L90Q85-P88 PolarHBondContact NE2-O 3.2Å; P88-L90 PolarHBondContact O-N 3.31Å
89P82.8Confident82.7Confident84 Ų8480 Ų8055%0.54542%0.415SS..THydrogen-bonded Turntrans-65.9129.2-17725.9-33.5000111Y113P89-Y113 HydrophobicContact CG-CE1 4.38Å
90L81.6Confident82.7Confident72 Ų7279.8 Ų79.838%0.37741%0.414SS..PPolyproline II helixtrans-80.5137.5179.4-65.7174.2000110.9Q85 P88 E92 E93Q85-L90 HydrophobicContact CB-CD1 4.06Å; Q85-L90 HydrophobicContact CB-CG 4.43Å; P88-L90 PolarHBondContact O-N 3.31Å; L90-E92 VanDerWaalsContact C-N 3.26Å; L90-E92 PolarHBondContact O-N 3.03Å; L90-E93 HydrophobicContact CB-CG 4.4Å; L90-E93 PolarHBondContact O-N 2.66Å
91P70.3Confident82.7Confident114 Ų11477.7 Ų77.774%0.7440%0.404SS*.G310 helixtrans-62-30.2-178.3-21.931.4000114.3
92E62.4Low82.6Confident195 Ų19579.6 Ų79.691%0.91141%0.409SS*.G310 helixtrans-81.3-12.9-175.2-64.5-179.8169.800113.3L90L90-E92 VanDerWaalsContact C-N 3.26Å; L90-E92 PolarHBondContact O-N 3.03Å
93E61.1Low82.5Confident95 Ų9581.3 Ų81.344%0.44441%0.41SS..G310 helixtrans-10619.7-173.4-68.2-170.115800114.2L90 K95L90-E93 HydrophobicContact CB-CG 4.4Å; L90-E93 PolarHBondContact O-N 2.66Å; E93-K95 PolarHBondContact O-N 2.82Å
94K61.8Low82.3Confident189 Ų18977.5 Ų77.582%0.82239%0.39SS*.  trans-71.473.7175-73.8-171179.2-177.50111.6
95K69.9Low82.3Confident112 Ų11278.1 Ų78.149%0.48739%0.393SS..PPolyproline II helixtrans-64.7150.4164.7-68.2-169.6176.2-169.70109.5E93 L97 E118E93-K95 PolarHBondContact O-N 2.82Å; K95-L97 PolarHBondContact O-N 2.73Å; K95-E118 IonicContact NZ-OE1 3.99Å; K95-E118 PolarHBondContact NZ-OE1 2.8Å
96S79.8Confident82.3Confident112 Ų11284.6 Ų84.678%0.78342%0.421SS*.PPolyproline II helixtrans-58.3131.2170.652.40000109.8
97L85.3Confident82.3Confident74 Ų7488.9 Ų88.939%0.38744%0.438SS..PPolyproline II helixtrans-71.6146179.2-58.8-179.2000110.6K95 Q101 E102 I105 P114K95-L97 PolarHBondContact O-N 2.73Å; L97-Q101 HydrophobicContact CB-CB 4.37Å; L97-E102 HydrophobicContact CB-CG 3.81Å; L97-E102 HydrophobicContact CD1-CG 4.22Å; L97-I105 HydrophobicContact CD1-CD1 4.06Å; L97-P114 HydrophobicContact CD2-CB 3.77Å; L97-P114 HydrophobicContact CD2-CG 3.47Å; L97-P114 VanDerWaalsContact CD2-CG 3.47Å
98T87.8Confident82.3Confident39 Ų3988.2 Ų88.224%0.23944%0.437CS..PPolyproline II helixtrans-76.4154.8169.174.20000109.9D38 L100 Q101 E102D38-T98 HydrophobicContact CB-CG2 3.9Å; D38-T98 WeakPolarHBondContact OD2-CB 3.35Å; D38-T98 WeakPolarHBondContact OD2-CG2 3.45Å; D38-T98 PolarHBondContact OD2-OG1 3.26Å; T98-L100 PolarHBondContact O-N 3.38Å; T98-L100 VanDerWaalsContact O-N 3.12Å; T98-Q101 WeakPolarHBondContact O-CB 3.48Å; T98-Q101 PolarHBondContact O-N 2.89Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.4Å; T98-Q101 PolarHBondContact OG1-N 2.84Å; T98-E102 PolarHBondContact O-N 2.89Å
99R88.1Confident82.5Confident175 Ų17587.1 Ų87.166%0.6644%0.436SS*.Hα-helixtrans-54.1-33.1174.1-173.9179.2179-177.92.4112.1R103R99-R103 VanDerWaalsContact NH2-NH2 3.1Å; R99-R103 WeakPolarHBondContact O-CB 3.3Å; R99-R103 WeakPolarHBondContact O-CD 3.42Å; R99-R103 VanDerWaalsContact O-CG 3.22Å; R99-R103 WeakPolarHBondContact O-CG 3.4Å; R99-R103 PolarHBondContact O-N 2.69Å
100L88.3Confident82.7Confident29 Ų2991.5 Ų91.515%0.15245%0.449CS..Hα-helixtrans-67.9-46.1175.317865.1000111.6T6 V8 T98 R103 L104T6-L100 HydrophobicContact CG2-CD1 4.35Å; V8-L100 HydrophobicContact CG2-CD1 3.86Å; T98-L100 PolarHBondContact O-N 3.38Å; T98-L100 VanDerWaalsContact O-N 3.12Å; L100-R103 PolarHBondContact O-N 2.94Å; L100-L104 HydrophobicContact CD1-CD1 4.07Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CD2-CD1 4.47Å; L100-L104 HydrophobicContact CG-CD1 3.91Å; L100-L104 HydrophobicContact CG-CG 4.43Å; L100-L104 WeakPolarHBondContact O-CB 3.48Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 2.87Å
101Q90.8Very high83.1Confident2 Ų291.7 Ų91.71%0.00945%0.448CS..Hα-helixtrans-61.6-45.2178.5-73.2169.9-21.700111.7G39 V40 L97 T98 R103 L104 I105 P114 F115 T116G39-Q101 PolarHBondContact O-NE2 3.31Å; V40-Q101 HydrophobicContact CG2-CB 4.24Å; V40-Q101 HydrophobicContact CG2-CG 4.02Å; L97-Q101 HydrophobicContact CB-CB 4.37Å; T98-Q101 WeakPolarHBondContact O-CB 3.48Å; T98-Q101 PolarHBondContact O-N 2.89Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.4Å; T98-Q101 PolarHBondContact OG1-N 2.84Å; Q101-R103 VanDerWaalsContact C-N 3.32Å; Q101-R103 PolarHBondContact O-N 2.88Å; Q101-L104 PolarHBondContact O-N 2.84Å; Q101-I105 WeakPolarHBondContact O-CB 3.02Å; Q101-I105 WeakPolarHBondContact O-CD1 3.39Å; Q101-I105 WeakPolarHBondContact O-CG1 3.43Å; Q101-I105 PolarHBondContact O-N 2.83Å; Q101-P114 HydrophobicContact CB-CB 4.35Å; Q101-P114 HydrophobicContact CG-CB 4.18Å; Q101-F115 PolarHBondContact NE2-O 3.32Å; Q101-T116 PolarHBondContact NE2-OG1 2.81Å
102E90.3Very high84.2Confident109 Ų10986.6 Ų86.651%0.50942%0.415SS..Hα-helixtrans-56.9-46.9176.9-68.4177.1164.200111.6L97 T98 I105 K106L97-E102 HydrophobicContact CB-CG 3.81Å; L97-E102 HydrophobicContact CD1-CG 4.22Å; T98-E102 PolarHBondContact O-N 2.89Å; E102-I105 PolarHBondContact O-N 2.82Å; E102-K106 WeakPolarHBondContact O-CB 3.39Å; E102-K106 PolarHBondContact O-N 3.42Å
103R89.8Confident85.6Confident59 Ų5979.4 Ų79.422%0.22338%0.38CS..Hα-helixtrans-64.9-41.6177.9-72.1174.5162.7-164.8-14.7112.5R99 L100 Q101 K106 K107 D382 I385R99-R103 VanDerWaalsContact NH2-NH2 3.1Å; R99-R103 WeakPolarHBondContact O-CB 3.3Å; R99-R103 WeakPolarHBondContact O-CD 3.42Å; R99-R103 VanDerWaalsContact O-CG 3.22Å; R99-R103 WeakPolarHBondContact O-CG 3.4Å; R99-R103 PolarHBondContact O-N 2.69Å; L100-R103 PolarHBondContact O-N 2.94Å; Q101-R103 VanDerWaalsContact C-N 3.32Å; Q101-R103 PolarHBondContact O-N 2.88Å; R103-K106 PolarHBondContact O-N 2.85Å; R103-K107 WeakPolarHBondContact O-CB 3.47Å; R103-K107 PolarHBondContact O-N 3.29Å; R103-D382 IonicContact CZ-OD1 2.95Å; R103-D382 IonicContact NE-OD1 2.74Å; R103-D382 IonicContact NH2-OD1 3.8Å; R103-D382 PolarHBondContact NH2-OD1 3.15Å; R103-I385 HydrophobicContact CB-CD1 4.04Å
104L89.6Confident87.2Confident0 Ų077.1 Ų77.10%037%0.373CS..Hα-helixtrans-66.7-41.6177.7-77.4174000112V8 V40 L100 Q101 K107 L108 I385 F387V8-L104 HydrophobicContact CG1-CD1 4.19Å; V8-L104 HydrophobicContact CG1-CD2 4Å; V8-L104 HydrophobicContact CG2-CD2 4.22Å; V40-L104 HydrophobicContact CB-CB 4.33Å; V40-L104 HydrophobicContact CB-CD1 4.3Å; V40-L104 HydrophobicContact CG2-CB 3.81Å; V40-L104 HydrophobicContact CG2-CD1 3.96Å; L100-L104 HydrophobicContact CD1-CD1 4.07Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CD2-CD1 4.47Å; L100-L104 HydrophobicContact CG-CD1 3.91Å; L100-L104 HydrophobicContact CG-CG 4.43Å; L100-L104 WeakPolarHBondContact O-CB 3.48Å; L100-L104 WeakPolarHBondContact O-CG 3.3Å; L100-L104 PolarHBondContact O-N 2.87Å; Q101-L104 PolarHBondContact O-N 2.84Å; L104-K107 PolarHBondContact O-N 2.98Å; L104-L108 HydrophobicContact CB-CD1 4.33Å; L104-L108 HydrophobicContact CD2-CD1 4.4Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.09Å; L104-I385 HydrophobicContact CD2-CD1 4.27Å; L104-I385 HydrophobicContact CD2-CG2 4.43Å; L104-F387 HydrophobicContact CD2-CE1 3.81Å; L104-F387 HydrophobicContact CD2-CZ 4.31Å
105I91.4Very high88.7Confident43 Ų4368.3 Ų68.322%0.22134%0.335CS..Hα-helixtrans-64-44.8176.8-66.8163.2000109.9V40 L97 Q101 E102 K107 L108 G109 A112 P114V40-I105 HydrophobicContact CG1-CG1 4.43Å; V40-I105 HydrophobicContact CG2-CG1 4.38Å; L97-I105 HydrophobicContact CD1-CD1 4.06Å; Q101-I105 WeakPolarHBondContact O-CB 3.02Å; Q101-I105 WeakPolarHBondContact O-CD1 3.39Å; Q101-I105 WeakPolarHBondContact O-CG1 3.43Å; Q101-I105 PolarHBondContact O-N 2.83Å; E102-I105 PolarHBondContact O-N 2.82Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.44Å; I105-L108 PolarHBondContact O-N 2.89Å; I105-G109 PolarHBondContact O-N 2.63Å; I105-A112 HydrophobicContact CG1-CB 4.22Å; I105-P114 HydrophobicContact CD1-CB 4.18Å; I105-P114 HydrophobicContact CD1-CG 4.03Å
106K90.4Very high89.7Confident165 Ų16564 Ų6472%0.71732%0.318SS*.Hα-helixtrans-58.4-38.3175.2-171.1-179.4176.2-172.20112.3E102 R103 D382E102-K106 WeakPolarHBondContact O-CB 3.39Å; E102-K106 PolarHBondContact O-N 3.42Å; R103-K106 PolarHBondContact O-N 2.85Å; K106-D382 IonicContact NZ-OD2 3.6Å
107K90.6Very high90.4Very high95 Ų9559 Ų5941%0.41328%0.282SS..Hα-helixtrans-81.8-33.9-179.3-171.2166-173.1162.40114.2R103 L104 I105 D383 I385 F387R103-K107 WeakPolarHBondContact O-CB 3.47Å; R103-K107 PolarHBondContact O-N 3.29Å; L104-K107 PolarHBondContact O-N 2.98Å; I105-K107 VanDerWaalsContact C-N 3.28Å; I105-K107 PolarHBondContact O-N 3.44Å; K107-D383 PolarHBondContact NZ-O 3.31Å; K107-I385 HydrophobicContact CD-CB 3.88Å; K107-I385 HydrophobicContact CD-CD1 3.93Å; K107-I385 HydrophobicContact CD-CG1 4.39Å; K107-I385 HydrophobicContact CD-CG2 4.37Å; K107-I385 PolarHBondContact NZ-O 2.83Å; K107-F387 HydrophobicContact CD-CE2 4.18Å; K107-F387 HydrophobicContact CD-CZ 4.03Å; K107-F387 HydrophobicContact CG-CZ 4.42Å
108L89.6Confident90.7Very high35 Ų3561.4 Ų61.418%0.18329%0.292CS..Hα-helixtrans-93.2-19.8-174.3-64.9173.9000113.5Y21 V40 L42 L104 I105 A112 F387Y21-L108 HydrophobicContact CD1-CD1 4.29Å; Y21-L108 HydrophobicContact CD2-CD1 3.64Å; Y21-L108 HydrophobicContact CE1-CD1 4.27Å; Y21-L108 HydrophobicContact CE1-CD2 3.98Å; Y21-L108 HydrophobicContact CE2-CD1 3.64Å; Y21-L108 HydrophobicContact CE2-CD2 4.09Å; Y21-L108 HydrophobicContact CG-CD1 4Å; V40-L108 HydrophobicContact CG1-CD1 4.15Å; L42-L108 HydrophobicContact CD1-CB 4.42Å; L104-L108 HydrophobicContact CB-CD1 4.33Å; L104-L108 HydrophobicContact CD2-CD1 4.4Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 WeakPolarHBondContact O-CG 3.4Å; L104-L108 PolarHBondContact O-N 3.09Å; I105-L108 PolarHBondContact O-N 2.89Å; L108-A112 HydrophobicContact CB-CB 3.77Å; L108-A112 HydrophobicContact CD1-CB 4.4Å; L108-F387 HydrophobicContact CD2-CZ 3.93Å
109G90.3Very high90.9Very high32 Ų3260.1 Ų60.133%0.3328%0.283SS..  trans94.9-169.1176.600000114.5I105 H111 A112I105-G109 PolarHBondContact O-N 2.63Å; G109-H111 PolarHBondContact O-N 3.16Å; G109-H111 VanDerWaalsContact O-N 3.16Å; G109-A112 VanDerWaalsContact O-CB 3.25Å; G109-A112 WeakPolarHBondContact O-CB 3.23Å; G109-A112 PolarHBondContact O-N 2.81Å
110E87.1Confident90.9Very high175 Ų17554.1 Ų54.182%0.81827%0.267SS*.THydrogen-bonded Turntrans-68.3-15.3-168.3-60.7-177.4168.300114.9A112E110-A112 VanDerWaalsContact C-N 3.32Å
111H91.6Very high90.7Very high77 Ų7755.8 Ų55.836%0.35628%0.276SS..THydrogen-bonded Turntrans-96.916.9179.3-53.2-44000113.5L42 I43 G109 Y113L42-H111 HydrophobicContact CD1-CB 4.31Å; I43-H111 PolarHBondContact N-O 2.77Å; I43-H111 VanDerWaalsContact N-O 3.09Å; I43-H111 VanDerWaalsContact O-CB 3.28Å; I43-H111 WeakPolarHBondContact O-CB 3.31Å; G109-H111 PolarHBondContact O-N 3.16Å; G109-H111 VanDerWaalsContact O-N 3.16Å; H111-Y113 WeakPolarHBondContact O-CD2 3.35Å; H111-Y113 WeakPolarHBondContact O-CE2 3.4Å
112A92.6Very high90.3Very high7 Ų760.6 Ų60.66%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-97.6113.517700000109.8V40 I105 L108 G109 E110V40-A112 HydrophobicContact CG1-CB 3.7Å; I105-A112 HydrophobicContact CG1-CB 4.22Å; L108-A112 HydrophobicContact CB-CB 3.77Å; L108-A112 HydrophobicContact CD1-CB 4.4Å; G109-A112 VanDerWaalsContact O-CB 3.25Å; G109-A112 WeakPolarHBondContact O-CB 3.23Å; G109-A112 PolarHBondContact O-N 2.81Å; E110-A112 VanDerWaalsContact C-N 3.32Å
113Y92.3Very high90.2Very high44 Ų4456.1 Ų56.117%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-111.4125.2-176-63.2-87.5000110.8V40 V41 I43 F87 P89 H111V40-Y113 CarbonylContact C-O 3.59Å; V40-Y113 WeakPolarHBondContact CA-O 3.39Å; V41-Y113 PolarHBondContact N-O 3.01Å; V41-Y113 PolarHBondContact O-N 2.57Å; I43-Y113 HydrophobicContact CD1-CD2 3.45Å; I43-Y113 VanDerWaalsContact CD1-CD2 3.45Å; I43-Y113 HydrophobicContact CD1-CE2 3.84Å; I43-Y113 HydrophobicContact CD1-CG 4.29Å; I43-Y113 HydrophobicContact CG1-CD2 4.06Å; I43-Y113 HydrophobicContact CG1-CE2 4.48Å; F87-Y113 HydrophobicContact CD2-CD1 4.4Å; F87-Y113 HydrophobicContact CD2-CD2 4.49Å; F87-Y113 AromaticContact CD2-CE1 3.74Å; F87-Y113 HydrophobicContact CD2-CE1 3.74Å; F87-Y113 AromaticContact CD2-CE2 3.83Å; F87-Y113 HydrophobicContact CD2-CE2 3.83Å; F87-Y113 AromaticContact CD2-CZ 3.41Å; F87-Y113 VanDerWaalsContact CD2-CZ 3.41Å; F87-Y113 WeakPolarHBondContact CD2-OH 3Å; F87-Y113 HydrophobicContact CE2-CE1 4.34Å; F87-Y113 HydrophobicContact CE2-CE2 4.44Å; F87-Y113 AromaticContact CE2-CZ 3.82Å; F87-Y113 VanDerWaalsContact CE2-OH 3.31Å; F87-Y113 WeakPolarHBondContact CE2-OH 3.38Å; P89-Y113 HydrophobicContact CG-CE1 4.38Å; H111-Y113 WeakPolarHBondContact O-CD2 3.35Å; H111-Y113 WeakPolarHBondContact O-CE2 3.4Å
114P93.3Very high90.2Very high46 Ų4653.6 Ų53.630%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-77.8153.5-177.930.6-32.6000112.2L97 Q101 I105L97-P114 HydrophobicContact CD2-CB 3.77Å; L97-P114 HydrophobicContact CD2-CG 3.47Å; L97-P114 VanDerWaalsContact CD2-CG 3.47Å; Q101-P114 HydrophobicContact CB-CB 4.35Å; Q101-P114 HydrophobicContact CG-CB 4.18Å; I105-P114 HydrophobicContact CD1-CB 4.18Å; I105-P114 HydrophobicContact CD1-CG 4.03Å
115F92.9Very high90.2Very high4 Ų455 Ų552%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-145148.5167.867.4-86.6000110.4V20 L22 G39 V41 V55 I84 Q101 F117 V146V20-F115 HydrophobicContact CG1-CE1 4.09Å; V20-F115 HydrophobicContact CG1-CZ 3.93Å; L22-F115 HydrophobicContact CD2-CE2 4.2Å; L22-F115 HydrophobicContact CD2-CZ 3.82Å; G39-F115 PolarHBondContact N-O 3.29Å; G39-F115 WeakPolarHBondContact O-CD1 3.5Å; G39-F115 PolarHBondContact O-N 3.07Å; V41-F115 HydrophobicContact CG2-CD1 3.65Å; V41-F115 HydrophobicContact CG2-CE1 3.57Å; V55-F115 HydrophobicContact CB-CG 4.4Å; V55-F115 HydrophobicContact CG1-CD2 3.95Å; V55-F115 HydrophobicContact CG1-CE2 3.98Å; V55-F115 HydrophobicContact CG1-CG 4.22Å; V55-F115 HydrophobicContact CG1-CZ 4.25Å; V55-F115 HydrophobicContact CG2-CB 4.5Å; V55-F115 HydrophobicContact CG2-CD1 4.16Å; V55-F115 HydrophobicContact CG2-CG 4.22Å; I84-F115 HydrophobicContact CG2-CB 4.37Å; Q101-F115 PolarHBondContact NE2-O 3.32Å; F115-F117 AromaticContact CD2-CD2 3.85Å; F115-F117 HydrophobicContact CD2-CD2 3.85Å; F115-F117 AromaticContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CE2-CD2 4.22Å; F115-F117 HydrophobicContact CE2-CE2 4.03Å; F115-V146 HydrophobicContact CE2-CG1 4.23Å; F115-V146 HydrophobicContact CZ-CG1 4.35Å
116T92.8Very high90.1Very high22 Ų2253.5 Ų53.514%0.13528%0.275CS..EExtended strand (participates in β ladder)trans-142.1123.5178.9-52.20000110.5P36 V37 D38 I84 Q101P36-T116 HydrophobicContact CB-CG2 4.05Å; V37-T116 CarbonylContact O-C 3.54Å; V37-T116 VanDerWaalsContact O-CA 3.31Å; V37-T116 WeakPolarHBondContact O-CA 3.48Å; D38-T116 HydrophobicContact CB-CG2 4.41Å; I84-T116 WeakPolarHBondContact CD1-O 3.47Å; Q101-T116 PolarHBondContact NE2-OG1 2.81Å
117F93.1Very high90.1Very high6 Ų646 Ų463%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-107.5136.5172.6-63.9-79.9000111.9P36 V37 V55 L57 A82 I84 F115P36-F117 CarbonylContact C-O 3.59Å; P36-F117 VanDerWaalsContact CA-O 3.3Å; P36-F117 WeakPolarHBondContact CA-O 3.42Å; P36-F117 WeakPolarHBondContact CB-O 3.41Å; V37-F117 HydrophobicContact CB-CB 4.23Å; V37-F117 PolarHBondContact N-O 2.93Å; V37-F117 PolarHBondContact O-N 3.45Å; V55-F117 HydrophobicContact CB-CE2 4.22Å; V55-F117 HydrophobicContact CB-CZ 4.12Å; V55-F117 HydrophobicContact CG1-CE2 3.69Å; V55-F117 HydrophobicContact CG1-CZ 4.02Å; V55-F117 WeakPolarHBondContact O-CZ 3.42Å; L57-F117 HydrophobicContact CB-CB 4.31Å; L57-F117 HydrophobicContact CB-CD1 3.83Å; L57-F117 HydrophobicContact CB-CD2 3.91Å; L57-F117 HydrophobicContact CB-CE1 4.07Å; L57-F117 HydrophobicContact CB-CE2 4.16Å; L57-F117 HydrophobicContact CB-CG 3.75Å; L57-F117 HydrophobicContact CB-CZ 4.23Å; L57-F117 HydrophobicContact CD2-CB 3.68Å; L57-F117 HydrophobicContact CD2-CG 4.07Å; A82-F117 HydrophobicContact CB-CD1 3.73Å; A82-F117 HydrophobicContact CB-CE1 3.91Å; A82-F117 WeakPolarHBondContact O-CE1 3.48Å; I84-F117 HydrophobicContact CB-CE1 4.19Å; I84-F117 HydrophobicContact CB-CZ 4.09Å; I84-F117 HydrophobicContact CD1-CD1 3.71Å; I84-F117 HydrophobicContact CD1-CD2 4.5Å; I84-F117 HydrophobicContact CD1-CE1 3.48Å; I84-F117 VanDerWaalsContact CD1-CE1 3.48Å; I84-F117 HydrophobicContact CD1-CE2 4.3Å; I84-F117 HydrophobicContact CD1-CG 4.22Å; I84-F117 HydrophobicContact CD1-CZ 3.79Å; I84-F117 HydrophobicContact CG1-CD1 4.21Å; I84-F117 HydrophobicContact CG1-CE1 3.57Å; I84-F117 HydrophobicContact CG1-CZ 3.95Å; F115-F117 AromaticContact CD2-CD2 3.85Å; F115-F117 HydrophobicContact CD2-CD2 3.85Å; F115-F117 AromaticContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CD2-CE2 3.57Å; F115-F117 HydrophobicContact CE2-CD2 4.22Å; F115-F117 HydrophobicContact CE2-CE2 4.03Å
118E92Very high90Very high126 Ų12642.1 Ų42.159%0.58923%0.227SC*.PPolyproline II helixtrans-97.5121.6169.1-71.6159.5-135.500108.4K95 P120K95-E118 IonicContact NZ-OE1 3.99Å; K95-E118 PolarHBondContact NZ-OE1 2.8Å; E118-P120 WeakPolarHBondContact O-CD 3.4Å
119I91.3Very high89.8Confident11 Ų1140.9 Ų40.96%0.05622%0.221CC..PPolyproline II helixtrans-85.9122.8179.3-60.1-178.9000108.6V34 V37 L57 L123 F144 K170V34-I119 HydrophobicContact CB-CB 4.18Å; V34-I119 HydrophobicContact CG1-CB 3.79Å; V34-I119 HydrophobicContact CG1-CD1 4.15Å; V34-I119 HydrophobicContact CG1-CG1 4.41Å; V34-I119 HydrophobicContact CG1-CG2 4.15Å; V37-I119 HydrophobicContact CG2-CD1 3.77Å; V37-I119 HydrophobicContact CG2-CG1 4.19Å; L57-I119 HydrophobicContact CD2-CD1 4.37Å; L57-I119 HydrophobicContact CD2-CG1 3.83Å; I119-L123 HydrophobicContact CG2-CD1 3.98Å; I119-F144 HydrophobicContact CD1-CD1 4.44Å; I119-F144 HydrophobicContact CD1-CE1 4.42Å; I119-F144 HydrophobicContact CG2-CE1 4Å; I119-K170 HydrophobicContact CG2-CD 4.21Å
120P88.7Confident89.2Confident50 Ų5040.5 Ų40.533%0.32521%0.211SC..PPolyproline II helixtrans-59.6141174.7-23.331.3000113F80 E118 N122 L123F80-P120 HydrophobicContact CD2-CG 3.92Å; F80-P120 HydrophobicContact CE2-CG 3.47Å; F80-P120 VanDerWaalsContact CE2-CG 3.47Å; F80-P120 HydrophobicContact CZ-CG 3.84Å; E118-P120 WeakPolarHBondContact O-CD 3.4Å; P120-N122 PolarHBondContact O-N 3.39Å; P120-L123 HydrophobicContact CB-CD1 4.38Å; P120-L123 HydrophobicContact CB-CG 4.24Å; P120-L123 HydrophobicContact CG-CD1 4.2Å; P120-L123 PolarHBondContact O-N 3.36Å
121L83.8Confident88.3Confident63 Ų6334.2 Ų34.233%0.3319%0.185SC..THydrogen-bonded Turntrans-61.3-26.6-178.2-72.1169000114.3V34 L123V34-L121 HydrophobicContact CG2-CD2 3.84Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.46Å
122N83.5Confident87.1Confident104 Ų10430.9 Ų30.956%0.55617%0.171SC*.THydrogen-bonded Turntrans-85.5-0-175.3-63.8-26.2000113.8P120P120-N122 PolarHBondContact O-N 3.39Å
123L87.9Confident85.7Confident15 Ų1536.4 Ų36.48%0.07921%0.206CC..SBendtrans-80.3143.4177.8-63.8179.3000111.7C59 F80 I119 P120 L121 F144 K170C59-L123 HydrophobicContact CB-CD1 4.33Å; F80-L123 HydrophobicContact CB-CD1 3.56Å; F80-L123 HydrophobicContact CB-CD2 3.75Å; F80-L123 HydrophobicContact CB-CG 4.32Å; F80-L123 HydrophobicContact CD1-CD1 3.84Å; F80-L123 HydrophobicContact CD2-CD1 4.22Å; F80-L123 HydrophobicContact CG-CD1 3.63Å; F80-L123 HydrophobicContact CG-CD2 4.47Å; I119-L123 HydrophobicContact CG2-CD1 3.98Å; P120-L123 HydrophobicContact CB-CD1 4.38Å; P120-L123 HydrophobicContact CB-CG 4.24Å; P120-L123 HydrophobicContact CG-CD1 4.2Å; P120-L123 PolarHBondContact O-N 3.36Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.46Å; L123-F144 HydrophobicContact CB-CZ 4.17Å; L123-F144 HydrophobicContact CD1-CE1 4.12Å; L123-F144 HydrophobicContact CD1-CZ 4.49Å; L123-K170 PolarHBondContact O-NZ 2.82Å
124P88.5Confident84Confident5 Ų541.5 Ų41.53%0.03223%0.232CC..PPolyproline II helixtrans-61.7157.317522.3-30.3000112.6L79 V142 F144 I314 L315L79-P124 HydrophobicContact CD1-CG 3.71Å; P124-V142 HydrophobicContact CB-CG1 4.29Å; P124-V142 HydrophobicContact CB-CG2 4.38Å; P124-V142 HydrophobicContact CG-CG1 3.78Å; P124-V142 HydrophobicContact CG-CG2 4.11Å; P124-F144 VanDerWaalsContact O-CE2 3.23Å; P124-F144 WeakPolarHBondContact O-CE2 3.23Å; P124-F144 VanDerWaalsContact O-CZ 3.27Å; P124-F144 WeakPolarHBondContact O-CZ 3.16Å; P124-I314 WeakPolarHBondContact CD-O 3.42Å; P124-L315 HydrophobicContact CB-CB 4.49Å; P124-L315 HydrophobicContact CB-CD2 4.3Å; P124-L315 WeakPolarHBondContact CB-O 3.47Å
125C89.9Confident82.3Confident30 Ų3042.3 Ų42.320%0.20323%0.233CC..PPolyproline II helixtrans-75.3163.5168.6-67.40000111V127 K170C125-V127 PolarHBondContact O-N 3.23Å; C125-K170 WeakPolarHBondContact CB-O 3.44Å
126S90.1Very high80.3Confident11 Ų1145.1 Ų45.18%0.07725%0.251CS..PPolyproline II helixtrans-65.7122.9175.2-68.50000110.5V142 F144 R169 K170S126-V142 WeakPolarHBondContact CA-O 3.23Å; S126-F144 WeakPolarHBondContact OG-CD2 3.48Å; S126-R169 WeakPolarHBondContact OG-CA 3.23Å; S126-K170 PolarHBondContact N-O 3.47Å; S126-K170 PolarHBondContact OG-N 3.1Å
127V90.5Very high78.5Confident8 Ų845.2 Ų45.25%0.04826%0.257CS..EExtended strand (participates in β ladder)trans-147134.5-178.156.40000109.6C125 G141 V142 A288 L289 A301 I317 V319C125-V127 PolarHBondContact O-N 3.23Å; V127-G141 CarbonylContact O-C 3.6Å; V127-G141 WeakPolarHBondContact O-CA 3.37Å; V127-V142 HydrophobicContact CG1-CB 4.11Å; V127-V142 HydrophobicContact CG1-CG2 4.09Å; V127-V142 PolarHBondContact N-O 3.27Å; V127-V142 PolarHBondContact O-N 3.43Å; V127-A288 HydrophobicContact CG2-CB 4.07Å; V127-L289 CarbonylContact C-O 3.52Å; V127-L289 VanDerWaalsContact CA-O 3.3Å; V127-L289 WeakPolarHBondContact CA-O 3.33Å; V127-A301 HydrophobicContact CG2-CB 3.96Å; V127-I317 HydrophobicContact CG1-CB 3.84Å; V127-I317 HydrophobicContact CG1-CD1 4.16Å; V127-I317 HydrophobicContact CG1-CG1 4.22Å; V127-I317 HydrophobicContact CG2-CB 4.36Å; V127-I317 HydrophobicContact CG2-CD1 4.47Å; V127-I317 HydrophobicContact CG2-CG2 4.28Å; V127-V319 HydrophobicContact CG2-CG2 3.96Å
128T88.3Confident76.9Confident14 Ų1450.2 Ų50.29%0.08628%0.278CS..EExtended strand (participates in β ladder)trans-129.3126.3179-53.90000109A139 C140 L289T128-A139 HydrophobicContact CG2-CB 3.44Å; T128-A139 VanDerWaalsContact CG2-CB 3.44Å; T128-C140 CarbonylContact C-O 3.5Å; T128-L289 PolarHBondContact N-O 2.96Å; T128-L289 PolarHBondContact O-N 2.74Å
129L85.3Confident75.7Confident8 Ų845.9 Ų45.94%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-84.8128.2171.4-77.8171000110.3P131 C140 A239 I241 Y249 A288 I317L129-P131 WeakPolarHBondContact O-CD 3.42Å; L129-C140 HydrophobicContact CB-CB 4.4Å; L129-C140 PolarHBondContact N-O 3.25Å; L129-A239 HydrophobicContact CD2-CB 3.73Å; L129-I241 HydrophobicContact CD1-CD1 3.51Å; L129-I241 HydrophobicContact CD1-CG1 3.65Å; L129-Y249 HydrophobicContact CD1-CD2 4.24Å; L129-Y249 HydrophobicContact CD1-CE2 4.3Å; L129-A288 HydrophobicContact CD2-CB 3.85Å; L129-I317 HydrophobicContact CD1-CD1 3.74Å; L129-I317 HydrophobicContact CD1-CG2 4.32Å; L129-I317 HydrophobicContact CG-CD1 3.83Å; L129-I317 HydrophobicContact CG-CG2 4.44Å
130Q76.9Confident75.1Confident25 Ų2546.2 Ų46.212%0.11727%0.267CS..PPolyproline II helixtrans-66.9121.3176.4-174.6169-3.900110.6R282 K284 G286 L287Q130-R282 PolarHBondContact NE2-O 3.32Å; Q130-K284 VanDerWaalsContact CD-O 3.26Å; Q130-K284 PolarHBondContact OE1-O 2.76Å; Q130-K284 VanDerWaalsContact OE1-O 3.07Å; Q130-G286 PolarHBondContact O-N 2.96Å; Q130-L287 HydrophobicContact CB-CB 4.29Å; Q130-L287 WeakPolarHBondContact CB-O 3.41Å; Q130-L287 PolarHBondContact N-O 2.91Å
131P69.7Low75Confident43 Ų4343.9 Ų43.928%0.27925%0.252SS..PPolyproline II helixtrans-65.2156.9176.226.5-32.3000111.2L129 D135 A139L129-P131 WeakPolarHBondContact O-CD 3.42Å; P131-D135 HydrophobicContact CB-CB 3.92Å; P131-A139 HydrophobicContact CG-CB 4.49Å
132G66.4Low75.2Confident6 Ų640.9 Ų40.96%0.06224%0.237CC..PPolyproline II helixtrans-75.1162.9169.700000112.6E134 D135 R285G132-E134 PolarHBondContact O-N 2.86Å; G132-E134 VanDerWaalsContact O-N 3.14Å; G132-D135 WeakPolarHBondContact CA-OD2 3.35Å; G132-D135 PolarHBondContact N-OD2 2.91Å; G132-D135 WeakPolarHBondContact O-CB 3.33Å; G132-D135 PolarHBondContact O-N 2.93Å; G132-R285 VanDerWaalsContact CA-CG 3.43Å
133P62.1Low75.5Confident123 Ų12337 Ų3780%0.79922%0.216SC*.THydrogen-bonded Turntrans-59.9-23.7175.223.6-33000113.7
134E56.7Low75.7Confident152 Ų15236.3 Ų36.371%0.7121%0.212SC*.THydrogen-bonded Turntrans-88.5-11.2176-60.7-65.6144.600113.3R65 G132 T136R65-E134 PolarHBondContact NH2-O 3.32Å; G132-E134 PolarHBondContact O-N 2.86Å; G132-E134 VanDerWaalsContact O-N 3.14Å; E134-T136 PolarHBondContact O-N 2.78Å
135D57.3Low76Confident62 Ų6236.7 Ų36.733%0.33221%0.214SC..  trans-92.289.5-177.3-61.3-38.7000109.2P131 G132 G137 R285P131-D135 HydrophobicContact CB-CB 3.92Å; G132-D135 WeakPolarHBondContact CA-OD2 3.35Å; G132-D135 PolarHBondContact N-OD2 2.91Å; G132-D135 WeakPolarHBondContact O-CB 3.33Å; G132-D135 PolarHBondContact O-N 2.93Å; D135-G137 PolarHBondContact O-N 2.98Å; D135-R285 VanDerWaalsContact CG-NH2 3.34Å; D135-R285 IonicContact OD1-NH2 2.64Å; D135-R285 PolarHBondContact OD1-NH2 2.86Å; D135-R285 VanDerWaalsContact OD1-NH2 3.15Å; D135-R285 IonicContact OD2-CZ 2.66Å; D135-R285 IonicContact OD2-NE 3.53Å; D135-R285 PolarHBondContact OD2-NE 2.84Å; D135-R285 VanDerWaalsContact OD2-NE 3.14Å; D135-R285 IonicContact OD2-NH2 2.66Å; D135-R285 PolarHBondContact OD2-NH2 2.89Å
136T51.2Low76.2Confident63 Ų6335.2 Ų35.239%0.38720%0.204SC..  trans-8487.417763.50000110.6R65 D67 E134R65-T136 WeakPolarHBondContact CG-O 3.47Å; R65-T136 PolarHBondContact NE-OG1 2.84Å; R65-T136 PolarHBondContact NH2-OG1 2.84Å; D67-T136 WeakPolarHBondContact OD2-CB 3.31Å; D67-T136 PolarHBondContact OD2-OG1 2.77Å; E134-T136 PolarHBondContact O-N 2.78Å
137G54.9Low76.4Confident25 Ų2536.9 Ų36.926%0.25821%0.21SC..SBendtrans-179.2175.7-178.700000114.9D135 A139D135-G137 PolarHBondContact O-N 2.98Å; G137-A139 PolarHBondContact O-N 2.78Å
138K59Low76.6Confident110 Ų11036.5 Ų36.548%0.47821%0.207SC..PPolyproline II helixtrans-62.4128.2178.2-79.3179.4176.2143.80110.5G64 E66 C140G64-K138 PolarHBondContact O-N 2.83Å; E66-K138 HydrophobicContact CG-CD 4.45Å; E66-K138 WeakPolarHBondContact OE1-CD 3.45Å; E66-K138 WeakPolarHBondContact OE1-CE 3.42Å; E66-K138 IonicContact OE1-NZ 3.97Å; E66-K138 PolarHBondContact OE1-NZ 2.84Å; E66-K138 WeakPolarHBondContact OE2-CD 3.33Å; E66-K138 WeakPolarHBondContact OE2-CE 3.33Å; E66-K138 IonicContact OE2-NZ 2.95Å; E66-K138 PolarHBondContact OE2-NZ 2.57Å; K138-C140 PolarHBondContact O-N 3.28Å
139A67Low76.8Confident36 Ų3636 Ų3630%0.29820%0.204SC..PPolyproline II helixtrans-52.1135.3177.200000111.1T128 P131 G137T128-A139 HydrophobicContact CG2-CB 3.44Å; T128-A139 VanDerWaalsContact CG2-CB 3.44Å; P131-A139 HydrophobicContact CG-CB 4.49Å; G137-A139 PolarHBondContact O-N 2.78Å
140C78.9Confident77.1Confident17 Ų1735.8 Ų35.812%0.11520%0.203CC..PPolyproline II helixtrans-68.7133.4176173.60000109.4R62 Y63 T128 L129 K138R62-C140 CarbonylContact O-C 3.5Å; R62-C140 VanDerWaalsContact O-CA 3.26Å; R62-C140 WeakPolarHBondContact O-CA 3.33Å; R62-C140 PolarHBondContact O-SG 3.29Å; R62-C140 VanDerWaalsContact O-SG 3.39Å; Y63-C140 HydrophobicContact CD2-CB 4.12Å; T128-C140 CarbonylContact C-O 3.5Å; L129-C140 HydrophobicContact CB-CB 4.4Å; L129-C140 PolarHBondContact N-O 3.25Å; K138-C140 PolarHBondContact O-N 3.28Å
141G86.4Confident77.6Confident1 Ų134.8 Ų34.81%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-179.9173.8-177.500000115.3F61 R62 V127F61-G141 CarbonylContact C-O 3.57Å; F61-G141 WeakPolarHBondContact CA-O 3.37Å; R62-G141 PolarHBondContact N-O 3.15Å; R62-G141 PolarHBondContact O-N 2.75Å; V127-G141 CarbonylContact O-C 3.6Å; V127-G141 WeakPolarHBondContact O-CA 3.37Å
142V88.9Confident78.4Confident0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-105117170.1176.80000107.9A60 F61 L79 P124 S126 V127 F144A60-V142 WeakPolarHBondContact O-CA 3.48Å; F61-V142 HydrophobicContact CD2-CG2 3.9Å; L79-V142 HydrophobicContact CD1-CG1 4.48Å; P124-V142 HydrophobicContact CB-CG1 4.29Å; P124-V142 HydrophobicContact CB-CG2 4.38Å; P124-V142 HydrophobicContact CG-CG1 3.78Å; P124-V142 HydrophobicContact CG-CG2 4.11Å; S126-V142 WeakPolarHBondContact CA-O 3.23Å; V127-V142 HydrophobicContact CG1-CB 4.11Å; V127-V142 HydrophobicContact CG1-CG2 4.09Å; V127-V142 PolarHBondContact N-O 3.27Å; V127-V142 PolarHBondContact O-N 3.43Å; V142-F144 HydrophobicContact CG1-CE2 4.22Å
143D89.8Confident79.2Confident24 Ų2442.4 Ų42.413%0.12823%0.232CC..EExtended strand (participates in β ladder)trans-115.5143.4177.5-68.2-31.5000110.6C59 A60 V167C59-D143 WeakPolarHBondContact CA-O 3.48Å; A60-D143 PolarHBondContact N-O 2.68Å; A60-D143 PolarHBondContact O-N 3.48Å; D143-V167 HydrophobicContact CB-CG1 4.47Å
144F92.5Very high80Confident0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-104125.6167.4-73.5-102.3000109.4T58 C59 I119 L123 P124 S126 V142 V167 I168 K170T58-F144 CarbonylContact O-C 3.49Å; T58-F144 WeakPolarHBondContact O-CA 3.25Å; C59-F144 HydrophobicContact CB-CD1 3.94Å; C59-F144 HydrophobicContact CB-CE1 3.67Å; C59-F144 HydrophobicContact CB-CZ 4.04Å; C59-F144 VanDerWaalsContact SG-CZ 3.5Å; I119-F144 HydrophobicContact CD1-CD1 4.44Å; I119-F144 HydrophobicContact CD1-CE1 4.42Å; I119-F144 HydrophobicContact CG2-CE1 4Å; L123-F144 HydrophobicContact CB-CZ 4.17Å; L123-F144 HydrophobicContact CD1-CE1 4.12Å; L123-F144 HydrophobicContact CD1-CZ 4.49Å; P124-F144 VanDerWaalsContact O-CE2 3.23Å; P124-F144 WeakPolarHBondContact O-CE2 3.23Å; P124-F144 VanDerWaalsContact O-CZ 3.27Å; P124-F144 WeakPolarHBondContact O-CZ 3.16Å; S126-F144 WeakPolarHBondContact OG-CD2 3.48Å; V142-F144 HydrophobicContact CG1-CE2 4.22Å; F144-V167 CarbonylContact O-C 3.58Å; F144-V167 WeakPolarHBondContact O-CA 3.5Å; F144-I168 HydrophobicContact CB-CD1 4.18Å; F144-I168 HydrophobicContact CB-CG1 3.55Å; F144-I168 PolarHBondContact O-N 3.06Å; F144-K170 HydrophobicContact CD2-CB 3.93Å; F144-K170 HydrophobicContact CE1-CD 4.43Å; F144-K170 HydrophobicContact CE2-CB 3.6Å; F144-K170 HydrophobicContact CE2-CD 4.13Å; F144-K170 HydrophobicContact CE2-CG 4.49Å; F144-K170 HydrophobicContact CZ-CB 3.95Å; F144-K170 HydrophobicContact CZ-CD 3.72Å; F144-K170 HydrophobicContact CZ-CG 4.46Å
145E93.3Very high81.1Confident12 Ų1242.7 Ų42.76%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-121.8120.8-175179.4176.5-27.600110.1L57 T58 R62 K147 R165 L166L57-E145 CarbonylContact C-O 3.51Å; L57-E145 WeakPolarHBondContact CA-O 3.43Å; T58-E145 PolarHBondContact N-O 2.68Å; T58-E145 PolarHBondContact O-N 3.22Å; R62-E145 IonicContact NH2-OE1 3.35Å; R62-E145 PolarHBondContact NH2-OE1 2.95Å; E145-K147 HydrophobicContact CG-CB 4.45Å; E145-R165 HydrophobicContact CG-CG 3.88Å; E145-R165 IonicContact OE1-CZ 3.53Å; E145-R165 VanDerWaalsContact OE1-CZ 3.29Å; E145-R165 IonicContact OE1-NE 3.48Å; E145-R165 PolarHBondContact OE1-NE 3.15Å; E145-R165 IonicContact OE1-NH2 3.27Å; E145-R165 PolarHBondContact OE1-NH2 2.74Å; E145-R165 WeakPolarHBondContact OE2-CD 3.48Å; E145-R165 VanDerWaalsContact OE2-CG 3.23Å; E145-R165 WeakPolarHBondContact OE2-CG 3.36Å; E145-R165 IonicContact OE2-CZ 3.56Å; E145-R165 IonicContact OE2-NE 3.67Å; E145-R165 PolarHBondContact OE2-NE 2.77Å; E145-R165 IonicContact OE2-NH2 2.68Å; E145-L166 WeakPolarHBondContact CA-O 3.49Å
146V94.9Very high82.1Confident0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-95.4117.5165.7-178.70000107.3V37 V55 T56 L57 F115 L166 I168V37-V146 HydrophobicContact CG1-CG2 4.08Å; V55-V146 HydrophobicContact CG1-CG1 3.93Å; T56-V146 WeakPolarHBondContact O-CA 3.37Å; L57-V146 HydrophobicContact CD1-CG2 3.79Å; F115-V146 HydrophobicContact CE2-CG1 4.23Å; F115-V146 HydrophobicContact CZ-CG1 4.35Å; V146-L166 HydrophobicContact CB-CB 4.48Å; V146-L166 HydrophobicContact CG1-CD1 4.47Å; V146-L166 PolarHBondContact N-O 2.91Å; V146-L166 PolarHBondContact O-N 2.86Å; V146-I168 HydrophobicContact CG2-CD1 3.84Å; V146-I168 HydrophobicContact CG2-CG1 4.26Å; V146-I168 HydrophobicContact CG2-CG2 4.07Å
147K94.4Very high83.5Confident45 Ų4549 Ų4920%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-122.5123.7179.4-170.3-176.6-178.7-175.70110V55 T56 E145 F149 I158 V164V55-K147 CarbonylContact C-O 3.56Å; V55-K147 WeakPolarHBondContact CA-O 3.49Å; T56-K147 PolarHBondContact N-O 3.22Å; T56-K147 PolarHBondContact O-N 2.82Å; T56-K147 PolarHBondContact OG1-O 2.8Å; E145-K147 HydrophobicContact CG-CB 4.45Å; K147-F149 HydrophobicContact CD-CD1 4.42Å; K147-F149 HydrophobicContact CG-CD1 4.29Å; K147-I158 HydrophobicContact CD-CD1 4.38Å; K147-V164 CarbonylContact C-O 3.58Å; K147-V164 VanDerWaalsContact CA-O 3.25Å; K147-V164 WeakPolarHBondContact CA-O 3.38Å; K147-V164 WeakPolarHBondContact CG-O 3.41Å
148A94.1Very high84.9Confident0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-108.2138.1171.200000109.3L18 V20 V41 F54 V55 S163 V164L18-A148 HydrophobicContact CD2-CB 3.84Å; V20-A148 HydrophobicContact CG2-CB 3.44Å; V20-A148 VanDerWaalsContact CG2-CB 3.44Å; V41-A148 HydrophobicContact CG2-CB 4.46Å; F54-A148 CarbonylContact O-C 3.58Å; F54-A148 VanDerWaalsContact O-CA 3.31Å; F54-A148 WeakPolarHBondContact O-CA 3.42Å; V55-A148 HydrophobicContact CG2-CB 4.19Å; A148-S163 CarbonylContact O-C 3.56Å; A148-S163 VanDerWaalsContact O-CA 3.23Å; A148-S163 WeakPolarHBondContact O-CA 3.27Å; A148-V164 PolarHBondContact N-O 3.3Å; A148-V164 PolarHBondContact O-N 2.82Å
149F93.2Very high86.1Confident4 Ų450.5 Ų50.52%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-153.3153.8179.859.3-91.1000112.7V53 F54 T56 K147 A151 L154 I158V53-F149 WeakPolarHBondContact CA-O 3.16Å; F54-F149 HydrophobicContact CB-CD2 4.44Å; F54-F149 HydrophobicContact CB-CE1 4.17Å; F54-F149 HydrophobicContact CB-CE2 3.9Å; F54-F149 HydrophobicContact CB-CZ 3.75Å; F54-F149 HydrophobicContact CD2-CD2 4.43Å; F54-F149 AromaticContact CD2-CE2 3.83Å; F54-F149 HydrophobicContact CD2-CE2 3.83Å; F54-F149 HydrophobicContact CD2-CZ 4.4Å; F54-F149 HydrophobicContact CG-CE2 4.27Å; F54-F149 HydrophobicContact CG-CZ 4.41Å; F54-F149 PolarHBondContact N-O 2.88Å; F54-F149 PolarHBondContact O-N 2.99Å; T56-F149 HydrophobicContact CG2-CE1 3.54Å; T56-F149 HydrophobicContact CG2-CZ 4.07Å; K147-F149 HydrophobicContact CD-CD1 4.42Å; K147-F149 HydrophobicContact CG-CD1 4.29Å; F149-A151 HydrophobicContact CD2-CB 3.86Å; F149-A151 HydrophobicContact CE2-CB 3.91Å; F149-L154 HydrophobicContact CZ-CD2 4.44Å; F149-I158 HydrophobicContact CB-CG2 3.59Å; F149-I158 HydrophobicContact CD1-CD1 3.73Å; F149-I158 HydrophobicContact CD1-CG1 4.22Å; F149-I158 HydrophobicContact CD1-CG2 4.26Å; F149-I158 HydrophobicContact CD2-CD1 4.19Å; F149-I158 HydrophobicContact CD2-CG1 3.82Å; F149-I158 HydrophobicContact CD2-CG2 4.15Å; F149-I158 HydrophobicContact CE1-CD1 3.48Å; F149-I158 VanDerWaalsContact CE1-CD1 3.48Å; F149-I158 HydrophobicContact CE1-CG1 4.18Å; F149-I158 HydrophobicContact CE2-CD1 3.99Å; F149-I158 HydrophobicContact CE2-CG1 3.81Å; F149-I158 HydrophobicContact CG-CD1 4.07Å; F149-I158 HydrophobicContact CG-CG1 4.03Å; F149-I158 HydrophobicContact CG-CG2 3.77Å; F149-I158 HydrophobicContact CZ-CD1 3.63Å; F149-I158 HydrophobicContact CZ-CG1 3.99Å
150C91.3Very high86.9Confident4 Ų456.5 Ų56.53%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-94.2127.3170.8-53.30000110.2K52 N162K52-C150 CarbonylContact O-C 3.55Å; K52-C150 VanDerWaalsContact O-CA 3.25Å; K52-C150 WeakPolarHBondContact O-CA 3.44Å; C150-N162 PolarHBondContact N-O 3.32Å; C150-N162 PolarHBondContact O-ND2 3.45Å
151A88.5Confident87.3Confident3 Ų364.5 Ų64.53%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-153160.7176.600000110.5K52 F54 F149 N153 E156K52-A151 CarbonylContact C-O 3.41Å; K52-A151 WeakPolarHBondContact CA-O 3.43Å; K52-A151 WeakPolarHBondContact CB-O 3.36Å; K52-A151 PolarHBondContact N-O 2.93Å; K52-A151 PolarHBondContact O-N 2.95Å; K52-A151 VanDerWaalsContact O-O 3.07Å; F54-A151 HydrophobicContact CD2-CB 4.37Å; F54-A151 HydrophobicContact CE2-CB 4.41Å; F149-A151 HydrophobicContact CD2-CB 3.86Å; F149-A151 HydrophobicContact CE2-CB 3.91Å; A151-N153 WeakPolarHBondContact CB-O 3.42Å; A151-E156 HydrophobicContact CB-CB 4.33Å
152E85.6Confident87.3Confident113 Ų11364.7 Ų64.753%0.52830%0.297SS..SBendtrans-75.6-41.5172.8-66.7-179.7-176.500110.8R51 E156R51-E152 HydrophobicContact CG-CG 3.99Å; E152-E156 PolarHBondContact N-OE2 2.92Å
153N83Confident87.3Confident97 Ų9765.4 Ų65.452%0.51930%0.301SS..SBendtrans-135.7158.3179.8-65.2-51000111.4A151 E155 E156A151-N153 WeakPolarHBondContact CB-O 3.42Å; N153-E155 PolarHBondContact O-N 2.85Å; N153-E156 WeakPolarHBondContact O-CB 2.95Å; N153-E156 PolarHBondContact O-N 2.83Å
154L79.4Confident87.5Confident89 Ų8964.3 Ų64.347%0.46630%0.296SS..THydrogen-bonded Turntrans-64.2-24.9178.1-77.4168.5000113.7F54 N83 F149 E156F54-L154 HydrophobicContact CB-CD2 4.01Å; F54-L154 HydrophobicContact CD1-CD2 3.44Å; F54-L154 VanDerWaalsContact CD1-CD2 3.44Å; F54-L154 HydrophobicContact CD1-CG 3.96Å; F54-L154 HydrophobicContact CD2-CD2 4.03Å; F54-L154 HydrophobicContact CE1-CD1 4.33Å; F54-L154 HydrophobicContact CE1-CD2 3.82Å; F54-L154 HydrophobicContact CE1-CG 3.77Å; F54-L154 HydrophobicContact CE2-CD2 4.36Å; F54-L154 HydrophobicContact CE2-CG 4.38Å; F54-L154 HydrophobicContact CG-CD2 3.54Å; F54-L154 HydrophobicContact CG-CG 4.33Å; F54-L154 HydrophobicContact CZ-CD2 4.25Å; F54-L154 HydrophobicContact CZ-CG 3.99Å; N83-L154 HydrophobicContact CB-CD2 4.4Å; F149-L154 HydrophobicContact CZ-CD2 4.44Å; L154-E156 VanDerWaalsContact C-N 3.34Å
155E78.6Confident87.5Confident191 Ų19167.7 Ų67.789%0.89331%0.309SS*.THydrogen-bonded Turntrans-84.5-9.3-178.7-61.2179.3-179.800113N153N153-E155 PolarHBondContact O-N 2.85Å
156E79.7Confident87.3Confident75 Ų7567.2 Ų67.235%0.3531%0.306SS..SBendtrans-69.6143.6-179.3-163.7-173.8164.300111.1A151 E152 N153 L154 I158A151-E156 HydrophobicContact CB-CB 4.33Å; E152-E156 PolarHBondContact N-OE2 2.92Å; N153-E156 WeakPolarHBondContact O-CB 2.95Å; N153-E156 PolarHBondContact O-N 2.83Å; L154-E156 VanDerWaalsContact C-N 3.34Å; E156-I158 PolarHBondContact O-N 3.43Å
157K80.1Confident87.2Confident182 Ų18268.9 Ų68.979%0.79132%0.317SS*.  trans-65.1113.4177-171.6176.7-178.7178.10110H159K157-H159 PolarHBondContact O-N 2.77Å
158I85.2Confident87.1Confident53 Ų5366.9 Ų66.927%0.27231%0.308SS..  trans-65.5123.2-178.4-54.6165.1000110.7K147 F149 E156K147-I158 HydrophobicContact CD-CD1 4.38Å; F149-I158 HydrophobicContact CB-CG2 3.59Å; F149-I158 HydrophobicContact CD1-CD1 3.73Å; F149-I158 HydrophobicContact CD1-CG1 4.22Å; F149-I158 HydrophobicContact CD1-CG2 4.26Å; F149-I158 HydrophobicContact CD2-CD1 4.19Å; F149-I158 HydrophobicContact CD2-CG1 3.82Å; F149-I158 HydrophobicContact CD2-CG2 4.15Å; F149-I158 HydrophobicContact CE1-CD1 3.48Å; F149-I158 VanDerWaalsContact CE1-CD1 3.48Å; F149-I158 HydrophobicContact CE1-CG1 4.18Å; F149-I158 HydrophobicContact CE2-CD1 3.99Å; F149-I158 HydrophobicContact CE2-CG1 3.81Å; F149-I158 HydrophobicContact CG-CD1 4.07Å; F149-I158 HydrophobicContact CG-CG1 4.03Å; F149-I158 HydrophobicContact CG-CG2 3.77Å; F149-I158 HydrophobicContact CZ-CD1 3.63Å; F149-I158 HydrophobicContact CZ-CG1 3.99Å; E156-I158 PolarHBondContact O-N 3.43Å
159H83.5Confident87Confident115 Ų11567.6 Ų67.653%0.53231%0.311SS..  trans-80.1137.7174.7-69.6-80.4000111.7K157 R161 N162 S163K157-H159 PolarHBondContact O-N 2.77Å; H159-R161 VanDerWaalsContact C-N 3.25Å; H159-R161 PolarHBondContact O-N 3.38Å; H159-N162 WeakPolarHBondContact CB-OD1 2.91Å; H159-N162 PolarHBondContact O-OD1 3.46Å; H159-S163 WeakPolarHBondContact O-CB 3.23Å; H159-S163 PolarHBondContact O-N 2.91Å; H159-S163 PolarHBondContact O-OG 2.8Å
160K83.8Confident86.9Confident162 Ų16267.5 Ų67.570%0.70431%0.31SS*.G310 helixtrans-62.7-32.8177.4-69.6-170.8178.7-173.20112.4N162 S163K160-N162 VanDerWaalsContact C-N 3.35Å; K160-N162 PolarHBondContact O-N 3.45Å; K160-S163 WeakPolarHBondContact CA-OG 3.37Å; K160-S163 PolarHBondContact O-N 2.97Å; K160-S163 PolarHBondContact O-OG 2.84Å
161R86.7Confident86.7Confident184 Ų18467.9 Ų67.969%0.69431%0.312SS*.G310 helixtrans-65.7-31.7-175.7-175.3174.5-178.3-175.91.8114.2N15 H159N15-R161 HydrophobicContact CB-CG 4.05Å; N15-R161 PolarHBondContact N-O 3.45Å; N15-R161 PolarHBondContact OD1-O 2.89Å; H159-R161 VanDerWaalsContact C-N 3.25Å; H159-R161 PolarHBondContact O-N 3.38Å
162N87.2Confident86.5Confident6 Ų668.5 Ų68.53%0.03232%0.315CS..G310 helixtrans-11520.9-176.971.3-15.8000112.4Y47 C150 H159 K160Y47-N162 HydrophobicContact CE1-CB 4.15Å; C150-N162 PolarHBondContact N-O 3.32Å; C150-N162 PolarHBondContact O-ND2 3.45Å; H159-N162 WeakPolarHBondContact CB-OD1 2.91Å; H159-N162 PolarHBondContact O-OD1 3.46Å; K160-N162 VanDerWaalsContact C-N 3.35Å; K160-N162 PolarHBondContact O-N 3.45Å
163S89.4Confident86.4Confident14 Ų1465 Ų6510%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-121.2148.6175.455.60000111.5P14 A148 H159 K160P14-S163 WeakPolarHBondContact CD-O 3.46Å; A148-S163 CarbonylContact O-C 3.56Å; A148-S163 VanDerWaalsContact O-CA 3.23Å; A148-S163 WeakPolarHBondContact O-CA 3.27Å; H159-S163 WeakPolarHBondContact O-CB 3.23Å; H159-S163 PolarHBondContact O-N 2.91Å; H159-S163 PolarHBondContact O-OG 2.8Å; K160-S163 WeakPolarHBondContact CA-OG 3.37Å; K160-S163 PolarHBondContact O-N 2.97Å; K160-S163 PolarHBondContact O-OG 2.84Å
164V93.1Very high86.2Confident2 Ų260.5 Ų60.51%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-117.2133.1174.6-173.20000107.5K11 S13 L18 V20 K147 A148 L166K11-V164 HydrophobicContact CB-CG1 3.79Å; K11-V164 HydrophobicContact CD-CG1 4.02Å; K11-V164 HydrophobicContact CG-CG1 3.81Å; K11-V164 WeakPolarHBondContact O-CG1 3.47Å; S13-V164 VanDerWaalsContact N-CG2 3.29Å; L18-V164 HydrophobicContact CB-CG2 4.31Å; L18-V164 HydrophobicContact CD2-CG2 4.23Å; L18-V164 HydrophobicContact CG-CG2 4.29Å; V20-V164 HydrophobicContact CB-CG1 4.39Å; V20-V164 HydrophobicContact CG2-CB 3.92Å; V20-V164 HydrophobicContact CG2-CG1 3.98Å; V20-V164 HydrophobicContact CG2-CG2 4.33Å; K147-V164 CarbonylContact C-O 3.58Å; K147-V164 VanDerWaalsContact CA-O 3.25Å; K147-V164 WeakPolarHBondContact CA-O 3.38Å; K147-V164 WeakPolarHBondContact CG-O 3.41Å; A148-V164 PolarHBondContact N-O 3.3Å; A148-V164 PolarHBondContact O-N 2.82Å; V164-L166 HydrophobicContact CG1-CD1 3.73Å; V164-L166 HydrophobicContact CG1-CG 4.27Å
165R91.6Very high86.1Confident71 Ų7158.7 Ų58.727%0.26827%0.267SS..EExtended strand (participates in β ladder)trans-124.5121.3179.8-178.7179.4-171.7-103.7-21.1110.2K11 R62 E145K11-R165 WeakPolarHBondContact CD-O 3.22Å; K11-R165 WeakPolarHBondContact CE-O 3.5Å; K11-R165 PolarHBondContact NZ-O 2.93Å; R62-R165 VanDerWaalsContact NH1-NH2 3.19Å; E145-R165 HydrophobicContact CG-CG 3.88Å; E145-R165 IonicContact OE1-CZ 3.53Å; E145-R165 VanDerWaalsContact OE1-CZ 3.29Å; E145-R165 IonicContact OE1-NE 3.48Å; E145-R165 PolarHBondContact OE1-NE 3.15Å; E145-R165 IonicContact OE1-NH2 3.27Å; E145-R165 PolarHBondContact OE1-NH2 2.74Å; E145-R165 WeakPolarHBondContact OE2-CD 3.48Å; E145-R165 VanDerWaalsContact OE2-CG 3.23Å; E145-R165 WeakPolarHBondContact OE2-CG 3.36Å; E145-R165 IonicContact OE2-CZ 3.56Å; E145-R165 IonicContact OE2-NE 3.67Å; E145-R165 PolarHBondContact OE2-NE 2.77Å; E145-R165 IonicContact OE2-NH2 2.68Å
166L91Very high85.7Confident1 Ų156.1 Ų56.11%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-122.2129177.2-49.796.2000108.8K11 V20 L22 E145 V146 V164 F390K11-L166 HydrophobicContact CB-CD2 3.71Å; K11-L166 HydrophobicContact CB-CG 4.13Å; K11-L166 HydrophobicContact CD-CG 4.2Å; V20-L166 HydrophobicContact CB-CD1 3.77Å; V20-L166 HydrophobicContact CB-CD2 4.42Å; V20-L166 HydrophobicContact CG1-CD1 3.77Å; V20-L166 HydrophobicContact CG1-CD2 4.39Å; V20-L166 HydrophobicContact CG2-CD1 4Å; L22-L166 HydrophobicContact CD1-CD2 4.13Å; E145-L166 WeakPolarHBondContact CA-O 3.49Å; V146-L166 HydrophobicContact CB-CB 4.48Å; V146-L166 HydrophobicContact CG1-CD1 4.47Å; V146-L166 PolarHBondContact N-O 2.91Å; V146-L166 PolarHBondContact O-N 2.86Å; V164-L166 HydrophobicContact CG1-CD1 3.73Å; V164-L166 HydrophobicContact CG1-CG 4.27Å; L166-F390 HydrophobicContact CB-CD1 3.98Å; L166-F390 HydrophobicContact CB-CD2 4.4Å; L166-F390 HydrophobicContact CB-CE1 3.72Å; L166-F390 HydrophobicContact CB-CE2 4.15Å; L166-F390 HydrophobicContact CB-CG 4.34Å; L166-F390 HydrophobicContact CB-CZ 3.81Å; L166-F390 HydrophobicContact CD2-CB 3.95Å; L166-F390 HydrophobicContact CD2-CD1 4.03Å; L166-F390 HydrophobicContact CD2-CD2 3.5Å; L166-F390 VanDerWaalsContact CD2-CD2 3.5Å; L166-F390 HydrophobicContact CD2-CE1 4.45Å; L166-F390 HydrophobicContact CD2-CE2 3.96Å; L166-F390 HydrophobicContact CD2-CG 3.55Å; L166-F390 HydrophobicContact CD2-CZ 4.42Å; L166-F390 HydrophobicContact CG-CD1 4.34Å; L166-F390 HydrophobicContact CG-CG 4.34Å
167V91.1Very high85.3Confident36 Ų3661.3 Ų61.322%0.21828%0.276CS..EExtended strand (participates in β ladder)trans-99.5111176.5-178.80000108.5D143 F144 F390D143-V167 HydrophobicContact CB-CG1 4.47Å; F144-V167 CarbonylContact O-C 3.58Å; F144-V167 WeakPolarHBondContact O-CA 3.5Å; V167-F390 WeakPolarHBondContact O-CE1 3.36Å; V167-F390 WeakPolarHBondContact O-CZ 3.49Å
168I92.8Very high84.9Confident2 Ų257.2 Ų57.21%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-95.6161.5177.663.9171.3000109.5L22 R25 F27 V37 L57 F144 V146 F390L22-I168 HydrophobicContact CD1-CG2 3.97Å; R25-I168 CarbonylContact O-C 3.5Å; R25-I168 WeakPolarHBondContact O-CA 3.28Å; F27-I168 HydrophobicContact CD2-CB 4.09Å; F27-I168 HydrophobicContact CD2-CD1 3.78Å; F27-I168 HydrophobicContact CD2-CG1 4.41Å; F27-I168 HydrophobicContact CE2-CB 3.98Å; F27-I168 HydrophobicContact CE2-CD1 3.83Å; F27-I168 HydrophobicContact CE2-CG1 4.5Å; F27-I168 HydrophobicContact CE2-CG2 3.89Å; V37-I168 HydrophobicContact CG1-CD1 4.25Å; V37-I168 HydrophobicContact CG2-CD1 3.62Å; L57-I168 HydrophobicContact CD1-CD1 3.86Å; F144-I168 HydrophobicContact CB-CD1 4.18Å; F144-I168 HydrophobicContact CB-CG1 3.55Å; F144-I168 PolarHBondContact O-N 3.06Å; V146-I168 HydrophobicContact CG2-CD1 3.84Å; V146-I168 HydrophobicContact CG2-CG1 4.26Å; V146-I168 HydrophobicContact CG2-CG2 4.07Å; I168-F390 HydrophobicContact CG2-CE2 4.32Å; I168-F390 HydrophobicContact CG2-CZ 3.92Å
169R91.7Very high84.4Confident16 Ų1656.3 Ų56.36%0.0627%0.272CS..EExtended strand (participates in β ladder)trans-110.1138.3172.4-65.9-172.8-70.5-173.81.9110.8R25 D26 F27 S126 V171 D290 D297R25-R169 PolarHBondContact O-N 3.46Å; D26-R169 CarbonylContact C-O 3.57Å; D26-R169 WeakPolarHBondContact CA-O 3.31Å; D26-R169 WeakPolarHBondContact OD1-CB 3.17Å; D26-R169 IonicContact OD1-CZ 3.82Å; D26-R169 IonicContact OD1-NE 2.66Å; D26-R169 PolarHBondContact OD1-NE 3.28Å; D26-R169 IonicContact OD1-NH2 3.62Å; D26-R169 PolarHBondContact OD1-NH2 3.19Å; D26-R169 IonicContact OD2-CZ 2.69Å; D26-R169 IonicContact OD2-NE 3.75Å; D26-R169 IonicContact OD2-NH2 2.93Å; D26-R169 PolarHBondContact OD2-NH2 3.34Å; F27-R169 PolarHBondContact N-O 2.98Å; S126-R169 WeakPolarHBondContact OG-CA 3.23Å; R169-V171 HydrophobicContact CB-CG1 4.11Å; R169-D290 WeakPolarHBondContact CD-O 3.42Å; R169-D290 IonicContact NH1-OD1 2.75Å; R169-D297 PolarHBondContact NH1-O 2.73Å; R169-D297 PolarHBondContact NH2-O 3.43Å; R169-D297 VanDerWaalsContact NH2-O 3.15Å; R169-D297 IonicContact NH2-OD1 3.64Å; R169-D297 IonicContact NH2-OD2 2.63Å; R169-D297 PolarHBondContact NH2-OD2 3.28Å
170K91.3Very high84.6Confident1 Ų156.1 Ų56.10%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-95.6112.7161.5-175.5-174.5174.4-169.20107.7F27 D29 I119 L123 C125 S126 F144F27-K170 WeakPolarHBondContact O-CA 3.43Å; D29-K170 HydrophobicContact CB-CG 4.45Å; D29-K170 WeakPolarHBondContact OD2-CE 3.41Å; D29-K170 IonicContact OD2-NZ 2.69Å; D29-K170 PolarHBondContact OD2-NZ 3.47Å; I119-K170 HydrophobicContact CG2-CD 4.21Å; L123-K170 PolarHBondContact O-NZ 2.82Å; C125-K170 WeakPolarHBondContact CB-O 3.44Å; S126-K170 PolarHBondContact N-O 3.47Å; S126-K170 PolarHBondContact OG-N 3.1Å; F144-K170 HydrophobicContact CD2-CB 3.93Å; F144-K170 HydrophobicContact CE1-CD 4.43Å; F144-K170 HydrophobicContact CE2-CB 3.6Å; F144-K170 HydrophobicContact CE2-CD 4.13Å; F144-K170 HydrophobicContact CE2-CG 4.49Å; F144-K170 HydrophobicContact CZ-CB 3.95Å; F144-K170 HydrophobicContact CZ-CD 3.72Å; F144-K170 HydrophobicContact CZ-CG 4.46Å
171V88.3Confident84.7Confident13 Ų1354.1 Ų54.18%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-111.4144.9-178.2-63.80000110.2D26 F27 V28 D29 R169 Y173D26-V171 HydrophobicContact CB-CG1 4.42Å; D26-V171 HydrophobicContact CB-CG2 4.34Å; F27-V171 PolarHBondContact O-N 3.19Å; V28-V171 CarbonylContact C-O 3.54Å; V28-V171 WeakPolarHBondContact CA-O 3.01Å; V28-V171 HydrophobicContact CG2-CG2 4.07Å; D29-V171 PolarHBondContact N-O 2.85Å; R169-V171 HydrophobicContact CB-CG1 4.11Å; V171-Y173 HydrophobicContact CG2-CE1 4.44Å
172Q84Confident85Confident16 Ų1646.3 Ų46.38%0.07525%0.247CC..EExtended strand (participates in β ladder)trans-106.4130.8-179.2-153.1174.311.200111.1D29 M352D29-Q172 HydrophobicContact CB-CG 4.2Å; Q172-M352 HydrophobicContact CB-CE 3.59Å; Q172-M352 HydrophobicContact CG-CE 3.34Å
173Y84Confident85.3Confident40 Ų4050.6 Ų50.616%0.15727%0.274CS..BIsolated β-bridgetrans-93.5151.5171.7-71.7-13.4000112V28 D29 V171 M352 H353 K355 P356V28-Y173 HydrophobicContact CB-CD2 4.27Å; V28-Y173 HydrophobicContact CB-CE2 4Å; V28-Y173 HydrophobicContact CG1-CD1 4.13Å; V28-Y173 HydrophobicContact CG1-CD2 3.14Å; V28-Y173 HydrophobicContact CG1-CE1 4.35Å; V28-Y173 HydrophobicContact CG1-CE2 3.35Å; V28-Y173 HydrophobicContact CG1-CG 3.56Å; V28-Y173 HydrophobicContact CG2-CD2 4.15Å; V28-Y173 HydrophobicContact CG2-CE1 4.18Å; V28-Y173 HydrophobicContact CG2-CE2 3.41Å; V28-Y173 VanDerWaalsContact CG2-CE2 3.41Å; V28-Y173 VanDerWaalsContact CG2-CZ 3.46Å; D29-Y173 PolarHBondContact O-N 3.24Å; V171-Y173 HydrophobicContact CG2-CE1 4.44Å; Y173-M352 WeakPolarHBondContact O-CE 3.05Å; Y173-H353 HydrophobicContact CD1-CB 3.52Å; Y173-H353 HydrophobicContact CE1-CB 3.63Å; Y173-K355 HydrophobicContact CD2-CB 4.32Å; Y173-K355 HydrophobicContact CD2-CG 3.96Å; Y173-K355 HydrophobicContact CG-CG 4.21Å; Y173-P356 HydrophobicContact CE2-CG 3.92Å
174A78.4Confident85.5Confident2 Ų251.1 Ų51.12%0.01728%0.279CS..PPolyproline II helixtrans-59.5142.217600000111.8I207 Y209 M352 H353 K355A174-I207 HydrophobicContact CB-CG2 3.8Å; A174-Y209 HydrophobicContact CB-CE1 3.56Å; A174-M352 HydrophobicContact CB-CB 4.12Å; A174-M352 HydrophobicContact CB-SD 4.34Å; A174-H353 PolarHBondContact N-O 2.94Å; A174-K355 WeakPolarHBondContact O-CE 3.01Å
175P77.3Confident85.5Confident50 Ų5057.4 Ų57.433%0.32531%0.308SS..PPolyproline II helixtrans-63.2153.1167.228-33.7000110.8K177 I207P175-K177 VanDerWaalsContact C-N 3.33Å; P175-K177 PolarHBondContact O-N 2.66Å; P175-I207 HydrophobicContact CG-CD1 3.72Å
176E69.1Low85.6Confident138 Ų13856.2 Ų56.265%0.64531%0.309SS*.SBendtrans-70.8-26.3-175.5-85.6160.3-146.100114.1P178 K355E176-P178 VanDerWaalsContact O-CD 3.3Å; E176-P178 WeakPolarHBondContact O-CD 3.32Å; E176-K355 HydrophobicContact CG-CD 4.4Å; E176-K355 IonicContact OE1-NZ 2.93Å; E176-K355 PolarHBondContact OE1-NZ 2.98Å
177K72.3Confident85.6Confident184 Ų18459.9 Ų59.980%0.833%0.331SS*.SBendtrans-98.5107.9-177.9-66.7-177.7-177.6175.70109.3P175P175-K177 VanDerWaalsContact C-N 3.33Å; P175-K177 PolarHBondContact O-N 2.66Å
178P70.7Confident85.5Confident95 Ų9563.3 Ų63.362%0.61734%0.34SS*.  trans-65.5135.2168.428.5-32.1000108.4E176E176-P178 VanDerWaalsContact O-CD 3.3Å; E176-P178 WeakPolarHBondContact O-CD 3.32Å
179G76.2Confident85.1Confident34 Ų3470.3 Ų70.335%0.35137%0.373SS..  trans-81.3-170.417200000112.1E206G179-E206 WeakPolarHBondContact CA-OE2 3.05Å; G179-E206 PolarHBondContact N-OE2 3.23Å; G179-E206 VanDerWaalsContact N-OE2 3.15Å
180P86.1Confident84.5Confident111 Ų11170.3 Ų70.372%0.72137%0.373SS*.PPolyproline II helixtrans-67154.3-172.729.2-34.8000112P182P180-P182 VanDerWaalsContact O-CD 3.27Å; P180-P182 WeakPolarHBondContact O-CD 3.49Å
181Q87.6Confident83.4Confident121 Ų12177 Ų7757%0.56541%0.408SS*.PPolyproline II helixtrans-58.6123.9176.3-73179.24.300110.9T183 D204Q181-T183 PolarHBondContact O-N 3.24Å; Q181-D204 PolarHBondContact NE2-O 3.09Å
182P91.9Very high82.4Confident19 Ų1984.5 Ų84.512%0.12345%0.445CS..PPolyproline II helixtrans-64121.8174.8-23.733.6000111.2P180 S202 L203 E206 L347P180-P182 VanDerWaalsContact O-CD 3.27Å; P180-P182 WeakPolarHBondContact O-CD 3.49Å; P182-S202 CarbonylContact O-C 3.5Å; P182-S202 VanDerWaalsContact O-CA 3.27Å; P182-S202 WeakPolarHBondContact O-CA 3.15Å; P182-L203 HydrophobicContact CB-CB 4.37Å; P182-L203 HydrophobicContact CB-CD1 4.17Å; P182-L203 HydrophobicContact CB-CG 4.34Å; P182-L203 HydrophobicContact CG-CB 4.33Å; P182-L203 HydrophobicContact CG-CD1 4.18Å; P182-L203 PolarHBondContact O-N 3.36Å; P182-E206 HydrophobicContact CG-CB 4.14Å; P182-E206 HydrophobicContact CG-CG 4.24Å; P182-L347 HydrophobicContact CB-CB 4.45Å; P182-L347 HydrophobicContact CB-CD2 4.42Å; P182-L347 VanDerWaalsContact O-CD2 3.31Å; P182-L347 WeakPolarHBondContact O-CD2 3.36Å
183T92.6Very high81.6Confident97 Ų9784.3 Ų84.360%0.59545%0.445SS*.EExtended strand (participates in β ladder)trans-125.7136.8175.358.20000110.3Q181 A201Q181-T183 PolarHBondContact O-N 3.24Å; T183-A201 WeakPolarHBondContact CA-O 3.39Å
184A94.3Very high81.1Confident25 Ų2590.3 Ų90.321%0.20748%0.48CS..EExtended strand (participates in β ladder)trans-140.2131.9175.200000110.6A201 V345 L347A184-A201 PolarHBondContact N-O 2.86Å; A184-A201 PolarHBondContact O-N 3.02Å; A184-V345 HydrophobicContact CB-CB 4.21Å; A184-L347 HydrophobicContact CB-CD2 4.04Å; A184-L347 HydrophobicContact CB-CG 3.91Å
185E94.3Very high81.4Confident133 Ų13395.9 Ų95.962%0.62150%0.503SS*.EExtended strand (participates in β ladder)trans-123.7151.3176.660.2170.2-146.400111.6H198 L199 E200E185-H198 IonicContact OE2-CE1 3.56Å; E185-H198 IonicContact OE2-NE2 2.82Å; E185-L199 CarbonylContact C-O 3.59Å; E185-L199 VanDerWaalsContact CA-O 3.29Å; E185-L199 WeakPolarHBondContact CA-O 3.47Å; E185-E200 HydrophobicContact CB-CB 4.32Å; E185-E200 HydrophobicContact CB-CG 4.4Å
186T93.3Very high82Confident47 Ų4795.3 Ų95.329%0.28850%0.5SS..EExtended strand (participates in β ladder)trans-146.2144.1170.9-164.50000110.3L199 V343 V345T186-L199 HydrophobicContact CG2-CB 4.11Å; T186-L199 HydrophobicContact CG2-CD2 4.32Å; T186-L199 PolarHBondContact N-O 2.93Å; T186-L199 PolarHBondContact O-N 3.22Å; T186-V343 HydrophobicContact CG2-CG1 3.58Å; T186-V345 HydrophobicContact CG2-CG1 3.41Å; T186-V345 VanDerWaalsContact CG2-CG1 3.41Å
187T91.2Very high83.1Confident77 Ų7788.8 Ų88.847%0.47247%0.469SS..EExtended strand (participates in β ladder)trans-119122176.4-57.60000108.8P196 L197 H198T187-P196 HydrophobicContact CG2-CB 3.49Å; T187-P196 VanDerWaalsContact CG2-CB 3.49Å; T187-P196 HydrophobicContact CG2-CG 4.39Å; T187-L197 WeakPolarHBondContact CA-O 3.41Å; T187-H198 PolarHBondContact OG1-ND1 3.42Å
188R87.7Confident84.1Confident109 Ų10981.9 Ų81.941%0.41144%0.44SS..EExtended strand (participates in β ladder)trans-114.1127.1178.9-166.6109.4176.8-139.10.4110.1F190 L197 D342 V343R188-F190 HydrophobicContact CB-CZ 4.46Å; R188-F190 HydrophobicContact CG-CE1 4.19Å; R188-F190 HydrophobicContact CG-CE2 4.42Å; R188-F190 HydrophobicContact CG-CZ 4.07Å; R188-L197 PolarHBondContact N-O 3.48Å; R188-L197 PolarHBondContact O-N 2.9Å; R188-D342 PolarHBondContact NH1-O 2.7Å; R188-V343 HydrophobicContact CB-CG1 4.27Å; R188-V343 HydrophobicContact CB-CG2 3.84Å; R188-V343 HydrophobicContact CG-CG2 3.94Å
189Q84.5Confident85.3Confident148 Ų14877.3 Ų77.369%0.69241%0.41SS*.EExtended strand (participates in β ladder)trans-99.3140.9166.1-66.8177.8-9.100109P196Q189-P196 HydrophobicContact CG-CB 4.15Å
190F79.2Confident86.3Confident17 Ų1779.1 Ų79.18%0.07541%0.41CS..EExtended strand (participates in β ladder)trans-108.8145.4-178.6-63.8-84.7000110.6R188 M192 S193 L197 T224 K226 V329 V343R188-F190 HydrophobicContact CB-CZ 4.46Å; R188-F190 HydrophobicContact CG-CE1 4.19Å; R188-F190 HydrophobicContact CG-CE2 4.42Å; R188-F190 HydrophobicContact CG-CZ 4.07Å; F190-M192 PolarHBondContact O-N 3.3Å; F190-S193 PolarHBondContact O-N 2.81Å; F190-S193 VanDerWaalsContact O-O 3.1Å; F190-L197 HydrophobicContact CE2-CB 3.82Å; F190-L197 HydrophobicContact CE2-CD2 3.99Å; F190-L197 HydrophobicContact CZ-CD2 4.09Å; F190-T224 HydrophobicContact CD2-CG2 3.99Å; F190-T224 HydrophobicContact CE2-CG2 4.1Å; F190-K226 HydrophobicContact CB-CD 4.24Å; F190-K226 VanDerWaalsContact CB-CE 3.43Å; F190-K226 HydrophobicContact CD1-CD 4.34Å; F190-K226 HydrophobicContact CD2-CD 4.22Å; F190-K226 HydrophobicContact CG-CD 4.02Å; F190-V329 HydrophobicContact CE1-CB 4.45Å; F190-V329 HydrophobicContact CE1-CG1 4.43Å; F190-V329 HydrophobicContact CE2-CG1 4.36Å; F190-V329 HydrophobicContact CZ-CB 4.12Å; F190-V329 HydrophobicContact CZ-CG1 3.97Å; F190-V329 HydrophobicContact CZ-CG2 3.94Å; F190-V343 HydrophobicContact CE1-CG2 4.46Å; F190-V343 HydrophobicContact CZ-CG2 3.84Å
191L67.8Low86.8Confident141 Ų14173.9 Ų73.974%0.73838%0.376SS*.THydrogen-bonded Turntrans-57.1129.9168.9-132.173.5000109.2
192M67.3Low87.2Confident171 Ų17169.1 Ų69.184%0.84236%0.356SS*.THydrogen-bonded Turntrans7021.8-173.5-48.8-168.6174.600116.1F190 N225F190-M192 PolarHBondContact O-N 3.3Å; M192-N225 PolarHBondContact O-ND2 2.9Å
193S68.8Low87.4Confident12 Ų1268.2 Ų68.28%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-136.3119.2163.4-167.80000109.8F190 K195 N225F190-S193 PolarHBondContact O-N 2.81Å; F190-S193 VanDerWaalsContact O-O 3.1Å; S193-K195 PolarHBondContact O-N 2.89Å; S193-N225 WeakPolarHBondContact CB-OD1 3.37Å; S193-N225 PolarHBondContact OG-N 3.33Å; S193-N225 PolarHBondContact OG-OD1 3.14Å
194D72.1Confident87.4Confident165 Ų16566 Ų6688%0.88233%0.334SS*.EExtended strand (participates in β ladder)trans-79.80-177.2-52.6-29.9000112.9
195K85.9Confident87.2Confident119 Ų11968.9 Ų68.952%0.51734%0.342SS..EExtended strand (participates in β ladder)trans-117.9146.6-177.1-66.2-175.6178.2-175.60111S193 N223 T224S193-K195 PolarHBondContact O-N 2.89Å; K195-N223 HydrophobicContact CB-CB 4.06Å; K195-N223 WeakPolarHBondContact CB-O 3.16Å; K195-N223 HydrophobicContact CD-CB 4.45Å; K195-N223 WeakPolarHBondContact CD-O 3.4Å; K195-T224 WeakPolarHBondContact O-CG2 3.24Å
196P90.1Very high87.1Confident39 Ų3965.7 Ų65.725%0.25333%0.327SS..EExtended strand (participates in β ladder)trans-85154.8-175.732.1-34.5000114.1T187 Q189 N223 T224T187-P196 HydrophobicContact CG2-CB 3.49Å; T187-P196 VanDerWaalsContact CG2-CB 3.49Å; T187-P196 HydrophobicContact CG2-CG 4.39Å; Q189-P196 HydrophobicContact CG-CB 4.15Å; P196-N223 WeakPolarHBondContact O-CB 3.2Å; P196-N223 PolarHBondContact O-N 3.49Å; P196-T224 VanDerWaalsContact C-CG2 3.46Å
197L91.7Very high87Confident0 Ų064.2 Ų64.20%032%0.317CS..EExtended strand (participates in β ladder)trans-101.1119.7160.3177.863.5000108.1T187 R188 F190 V220 N222 T224 V228 L327 V329 V343T187-L197 WeakPolarHBondContact CA-O 3.41Å; R188-L197 PolarHBondContact N-O 3.48Å; R188-L197 PolarHBondContact O-N 2.9Å; F190-L197 HydrophobicContact CE2-CB 3.82Å; F190-L197 HydrophobicContact CE2-CD2 3.99Å; F190-L197 HydrophobicContact CZ-CD2 4.09Å; L197-V220 HydrophobicContact CD1-CG1 3.66Å; L197-N222 HydrophobicContact CD1-CB 3.61Å; L197-T224 HydrophobicContact CB-CG2 3.64Å; L197-V228 HydrophobicContact CD1-CG2 4.42Å; L197-V228 HydrophobicContact CD2-CG2 4.33Å; L197-L327 HydrophobicContact CD2-CD1 4.29Å; L197-V329 HydrophobicContact CD2-CG2 3.72Å; L197-V343 HydrophobicContact CD2-CG2 4.07Å
198H94.1Very high87Confident39 Ų3960.5 Ų60.518%0.18130%0.295CS..EExtended strand (participates in β ladder)trans-104.2128.4176.7-172.875.5000109.5E185 T187 V220 T221E185-H198 IonicContact OE2-CE1 3.56Å; E185-H198 IonicContact OE2-NE2 2.82Å; T187-H198 PolarHBondContact OG1-ND1 3.42Å; H198-V220 WeakPolarHBondContact O-CA 3.37Å; H198-T221 PolarHBondContact N-O 3.43Å; H198-T221 PolarHBondContact O-N 2.85Å
199L95.6Very high87.2Confident0 Ų059.4 Ų59.40%029%0.291CS..EExtended strand (participates in β ladder)trans-122.8120.9175.8164.564.4000107.6E185 T186 V218 V220 V325 L327 V343 V345E185-L199 CarbonylContact C-O 3.59Å; E185-L199 VanDerWaalsContact CA-O 3.29Å; E185-L199 WeakPolarHBondContact CA-O 3.47Å; T186-L199 HydrophobicContact CG2-CB 4.11Å; T186-L199 HydrophobicContact CG2-CD2 4.32Å; T186-L199 PolarHBondContact N-O 2.93Å; T186-L199 PolarHBondContact O-N 3.22Å; L199-V218 HydrophobicContact CD1-CG1 3.92Å; L199-V220 HydrophobicContact CD1-CG2 3.97Å; L199-V325 HydrophobicContact CD1-CG1 4.16Å; L199-L327 HydrophobicContact CB-CD1 4Å; L199-L327 HydrophobicContact CD1-CD1 4Å; L199-L327 HydrophobicContact CD1-CD2 4.44Å; L199-L327 HydrophobicContact CD1-CG 4.27Å; L199-L327 HydrophobicContact CD2-CD1 3.94Å; L199-L327 HydrophobicContact CD2-CG 3.93Å; L199-L327 HydrophobicContact CG-CD1 4.19Å; L199-V343 HydrophobicContact CD2-CG1 4.2Å; L199-V345 HydrophobicContact CD2-CG1 4.1Å; L199-V345 HydrophobicContact CD2-CG2 3.94Å; L199-V345 HydrophobicContact CG-CG1 4.27Å; L199-V345 HydrophobicContact CG-CG2 4.12Å
200E96.3Very high87.5Confident72 Ų7254.1 Ų54.134%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-119.6139.2173-179.7-173177.900108.2E185 H219E185-E200 HydrophobicContact CB-CB 4.32Å; E185-E200 HydrophobicContact CB-CG 4.4Å; E200-H219 HydrophobicContact CB-CB 4.27Å; E200-H219 PolarHBondContact N-O 2.99Å; E200-H219 PolarHBondContact O-N 2.77Å; E200-H219 VanDerWaalsContact O-O 3.06Å
201A96.6Very high88Confident1 Ų154.8 Ų54.81%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-136.5150.1171.800000110.4T183 A184 N217 V325 V345 L347T183-A201 WeakPolarHBondContact CA-O 3.39Å; A184-A201 PolarHBondContact N-O 2.86Å; A184-A201 PolarHBondContact O-N 3.02Å; A201-N217 CarbonylContact C-O 3.5Å; A201-N217 WeakPolarHBondContact CA-O 3.31Å; A201-V325 HydrophobicContact CB-CG2 4Å; A201-V345 HydrophobicContact CB-CG2 3.86Å; A201-L347 HydrophobicContact CB-CD1 3.77Å; A201-L347 HydrophobicContact CB-CD2 4.4Å; A201-L347 WeakPolarHBondContact O-CD2 3.47Å
202S96.2Very high89.1Confident21 Ų2149.8 Ų49.815%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-144153.1175.665.60000112.2P182 N217P182-S202 CarbonylContact O-C 3.5Å; P182-S202 VanDerWaalsContact O-CA 3.27Å; P182-S202 WeakPolarHBondContact O-CA 3.15Å; S202-N217 PolarHBondContact N-O 3.45Å; S202-N217 PolarHBondContact O-N 3.39Å; S202-N217 WeakPolarHBondContact OG-CB 3.48Å; S202-N217 PolarHBondContact OG-ND2 3.16Å; S202-N217 VanDerWaalsContact OG-ND2 3.16Å
203L95.8Very high90.4Very high0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-104.9150.8173.4-59.2-176.7000110.3P182 K205 Y208 I214 V216 V323 L347 F349P182-L203 HydrophobicContact CB-CB 4.37Å; P182-L203 HydrophobicContact CB-CD1 4.17Å; P182-L203 HydrophobicContact CB-CG 4.34Å; P182-L203 HydrophobicContact CG-CB 4.33Å; P182-L203 HydrophobicContact CG-CD1 4.18Å; P182-L203 PolarHBondContact O-N 3.36Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-Y208 HydrophobicContact CD1-CE2 4.37Å; L203-I214 HydrophobicContact CD2-CG2 4.17Å; L203-V216 HydrophobicContact CD2-CB 4.23Å; L203-V216 HydrophobicContact CD2-CG1 4.14Å; L203-V216 HydrophobicContact CD2-CG2 3.76Å; L203-V323 HydrophobicContact CD1-CG2 4.19Å; L203-V323 HydrophobicContact CD2-CB 4.28Å; L203-V323 HydrophobicContact CD2-CG1 4.48Å; L203-V323 HydrophobicContact CD2-CG2 3.92Å; L203-L347 HydrophobicContact CD1-CB 4.1Å; L203-L347 HydrophobicContact CG-CB 4.24Å; L203-L347 HydrophobicContact CG-CD2 4.3Å; L203-F349 HydrophobicContact CD1-CB 3.84Å; L203-F349 HydrophobicContact CD1-CD1 4.33Å; L203-F349 HydrophobicContact CD1-CG 4.38Å
204D92.7Very high91.7Very high49 Ų4944 Ų4426%0.26223%0.226SC..SBendtrans-71.5-27.4176.963.9-57.3000113Q181 Y208 S215Q181-D204 PolarHBondContact NE2-O 3.09Å; D204-Y208 PolarHBondContact N-OH 3.35Å; D204-Y208 WeakPolarHBondContact OD1-CE1 3.15Å; D204-Y208 PolarHBondContact OD1-OH 2.99Å; D204-S215 PolarHBondContact N-O 3Å; D204-S215 WeakPolarHBondContact OD1-CB 3.37Å; D204-S215 PolarHBondContact OD1-N 2.75Å
205K91.1Very high92.8Very high87 Ų8737.7 Ų37.738%0.37820%0.195SC..  trans-142.1158.7179.7-57.7176.9-166.7174.40111.1L203 Y208 E212L203-K205 VanDerWaalsContact C-N 3.32Å; K205-Y208 HydrophobicContact CB-CE1 4.14Å; K205-Y208 HydrophobicContact CB-CE2 4.26Å; K205-Y208 HydrophobicContact CD-CE1 4.49Å; K205-Y208 PolarHBondContact N-OH 3.26Å; K205-Y208 WeakPolarHBondContact O-CE2 3.38Å; K205-Y208 PolarHBondContact O-OH 3.48Å; K205-E212 IonicContact NZ-OE1 2.7Å; K205-E212 PolarHBondContact NZ-OE1 3.3Å
206E90.4Very high93.4Very high65 Ų6532 Ų3230%0.30417%0.17SC..SBendtrans-84.4-34.8169-173.9-176.3-176.200112.2G179 P182 F349 T350G179-E206 WeakPolarHBondContact CA-OE2 3.05Å; G179-E206 PolarHBondContact N-OE2 3.23Å; G179-E206 VanDerWaalsContact N-OE2 3.15Å; P182-E206 HydrophobicContact CG-CB 4.14Å; P182-E206 HydrophobicContact CG-CG 4.24Å; E206-F349 WeakPolarHBondContact O-CA 3.2Å; E206-F349 WeakPolarHBondContact O-CB 3.48Å; E206-T350 PolarHBondContact O-N 3.39Å
207I91.4Very high93.7Very high16 Ų1632.7 Ų32.78%0.08217%0.172CC..EExtended strand (participates in β ladder)trans-112.7128.6-175.8-52.9174.1000108.8A174 P175 T350A174-I207 HydrophobicContact CB-CG2 3.8Å; P175-I207 HydrophobicContact CG-CD1 3.72Å; I207-T350 CarbonylContact C-O 3.5Å; I207-T350 WeakPolarHBondContact CA-O 3.47Å; I207-T350 HydrophobicContact CG1-CG2 4.37Å; I207-T350 HydrophobicContact CG2-CG2 4.31Å
208Y92.3Very high93.9Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-122.4150.4174.3-65.8-87.5000110.4L203 D204 K205 E212 I214 F349 T350 L351 M352L203-Y208 HydrophobicContact CD1-CE2 4.37Å; D204-Y208 PolarHBondContact N-OH 3.35Å; D204-Y208 WeakPolarHBondContact OD1-CE1 3.15Å; D204-Y208 PolarHBondContact OD1-OH 2.99Å; K205-Y208 HydrophobicContact CB-CE1 4.14Å; K205-Y208 HydrophobicContact CB-CE2 4.26Å; K205-Y208 HydrophobicContact CD-CE1 4.49Å; K205-Y208 PolarHBondContact N-OH 3.26Å; K205-Y208 WeakPolarHBondContact O-CE2 3.38Å; K205-Y208 PolarHBondContact O-OH 3.48Å; Y208-E212 HydrophobicContact CD1-CG 4.41Å; Y208-I214 HydrophobicContact CD1-CB 4.41Å; Y208-I214 HydrophobicContact CD1-CG1 3.81Å; Y208-I214 HydrophobicContact CD2-CG1 4.2Å; Y208-I214 HydrophobicContact CE1-CB 4.15Å; Y208-I214 HydrophobicContact CE1-CG1 4.05Å; Y208-I214 HydrophobicContact CE1-CG2 4.11Å; Y208-I214 HydrophobicContact CE2-CG1 4.39Å; Y208-I214 HydrophobicContact CE2-CG2 3.98Å; Y208-I214 HydrophobicContact CG-CD1 4.47Å; Y208-I214 HydrophobicContact CG-CG1 3.88Å; Y208-F349 HydrophobicContact CD2-CB 4.29Å; Y208-F349 AromaticContact CD2-CD2 3.62Å; Y208-F349 HydrophobicContact CD2-CD2 3.62Å; Y208-F349 HydrophobicContact CD2-CE2 4.24Å; Y208-F349 HydrophobicContact CD2-CG 4.18Å; Y208-F349 HydrophobicContact CE2-CB 4.32Å; Y208-F349 HydrophobicContact CE2-CD2 4.31Å; Y208-F349 HydrophobicContact CE2-CG 4.44Å; Y208-T350 PolarHBondContact N-O 3.1Å; Y208-L351 WeakPolarHBondContact O-CA 3.47Å; Y208-M352 PolarHBondContact O-N 3.46Å
209Y91.8Very high94Very high86 Ų8633.8 Ų33.834%0.33718%0.177SC..EExtended strand (participates in β ladder)trans-92.9154.6173.5-58.3-61.8000112.4A174 G211 E212 M352 P354A174-Y209 HydrophobicContact CB-CE1 3.56Å; Y209-G211 PolarHBondContact O-N 2.8Å; Y209-E212 WeakPolarHBondContact CD2-OE2 3.35Å; Y209-E212 PolarHBondContact N-OE2 3.36Å; Y209-E212 VanDerWaalsContact O-CB 3.23Å; Y209-E212 WeakPolarHBondContact O-CB 3.24Å; Y209-E212 PolarHBondContact O-N 3.05Å; Y209-M352 VanDerWaalsContact CA-O 3.32Å; Y209-M352 WeakPolarHBondContact CA-O 2.99Å; Y209-P354 VanDerWaalsContact CD1-CA 3.45Å; Y209-P354 HydrophobicContact CD1-CB 3.76Å; Y209-P354 HydrophobicContact CD1-CG 4.49Å; Y209-P354 HydrophobicContact CD2-CB 4.48Å; Y209-P354 VanDerWaalsContact CE1-CA 3.47Å; Y209-P354 HydrophobicContact CE1-CB 4Å; Y209-P354 HydrophobicContact CG-CB 4.01Å
210H90.9Very high94Very high36 Ų3633.8 Ų33.817%0.16718%0.177CC..THydrogen-bonded Turntrans-56.3126.2172-69.3-68.1000110.7E212 L300 S302 M352 H353H210-E212 VanDerWaalsContact C-N 3.3Å; H210-L300 PolarHBondContact CE1-O 2.74Å; H210-L300 PolarHBondContact NE2-O 2.84Å; H210-S302 PolarHBondContact NE2-OG 3.37Å; H210-S302 VanDerWaalsContact NE2-OG 3.1Å; H210-M352 PolarHBondContact CD2-O 3.15Å; H210-M352 PolarHBondContact N-O 2.95Å; H210-H353 AromaticContact CD2-CE1 3.35Å; H210-H353 PolarHBondContact CD2-CE1 2.86Å; H210-H353 AromaticContact CD2-CG 3.85Å; H210-H353 AromaticContact CD2-ND1 3.39Å; H210-H353 PolarHBondContact CD2-ND1 3.39Å; H210-H353 AromaticContact CD2-NE2 3.79Å; H210-H353 AromaticContact NE2-CE1 3.54Å; H210-H353 AromaticContact NE2-ND1 3.58Å
211G88.5Confident94Very high31 Ų3131.7 Ų31.732%0.3217%0.169SC..THydrogen-bonded Turntrans83.6-5.3-176.500000115.4Y209 T275Y209-G211 PolarHBondContact O-N 2.8Å; G211-T275 WeakPolarHBondContact O-CG2 3.47Å
212E92.3Very high93.8Very high36 Ų3631.7 Ų31.717%0.16817%0.169CC..PPolyproline II helixtrans-76.4135.7173.6-170.3-179.7-179.700111.2K205 Y208 Y209 H210K205-E212 IonicContact NZ-OE1 2.7Å; K205-E212 PolarHBondContact NZ-OE1 3.3Å; Y208-E212 HydrophobicContact CD1-CG 4.41Å; Y209-E212 WeakPolarHBondContact CD2-OE2 3.35Å; Y209-E212 PolarHBondContact N-OE2 3.36Å; Y209-E212 VanDerWaalsContact O-CB 3.23Å; Y209-E212 WeakPolarHBondContact O-CB 3.24Å; Y209-E212 PolarHBondContact O-N 3.05Å; H210-E212 VanDerWaalsContact C-N 3.3Å
213P94.3Very high93.5Very high63 Ų6334 Ų3441%0.40918%0.179SC..PPolyproline II helixtrans-71.3132.7174.927.7-32.7000111.6T273P213-T273 HydrophobicContact CB-CG2 3.57Å
214I95.6Very high93.2Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-94.7121.1178.4-57.5175.2000108.9L203 Y208 V216 V235 T273 L274 P276 V323 F349L203-I214 HydrophobicContact CD2-CG2 4.17Å; Y208-I214 HydrophobicContact CD1-CB 4.41Å; Y208-I214 HydrophobicContact CD1-CG1 3.81Å; Y208-I214 HydrophobicContact CD2-CG1 4.2Å; Y208-I214 HydrophobicContact CE1-CB 4.15Å; Y208-I214 HydrophobicContact CE1-CG1 4.05Å; Y208-I214 HydrophobicContact CE1-CG2 4.11Å; Y208-I214 HydrophobicContact CE2-CG1 4.39Å; Y208-I214 HydrophobicContact CE2-CG2 3.98Å; Y208-I214 HydrophobicContact CG-CD1 4.47Å; Y208-I214 HydrophobicContact CG-CG1 3.88Å; I214-V216 HydrophobicContact CG2-CG2 4.1Å; I214-V235 HydrophobicContact CD1-CG2 4.19Å; I214-T273 VanDerWaalsContact O-CA 3.31Å; I214-T273 WeakPolarHBondContact O-CA 3.46Å; I214-L274 WeakPolarHBondContact CB-O 3.35Å; I214-L274 PolarHBondContact N-O 2.99Å; I214-L274 PolarHBondContact O-N 3.04Å; I214-P276 HydrophobicContact CD1-CG 4.01Å; I214-V323 HydrophobicContact CG2-CG2 4.31Å; I214-F349 HydrophobicContact CD1-CE1 4.27Å; I214-F349 HydrophobicContact CD1-CE2 3.71Å; I214-F349 HydrophobicContact CD1-CZ 3.56Å
215S96Very high92.9Very high32 Ų3236.5 Ų36.522%0.22419%0.193CC..EExtended strand (participates in β ladder)trans-95.5120.5176.3-56.90000110.9D204 F272D204-S215 PolarHBondContact N-O 3Å; D204-S215 WeakPolarHBondContact OD1-CB 3.37Å; D204-S215 PolarHBondContact OD1-N 2.75Å; S215-F272 WeakPolarHBondContact CA-O 3.31Å
216V96.9Very high92.6Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-113.7107.9-177.7-170.30000108.8L203 I214 V218 I233 V271 F272 L274 V323 V325L203-V216 HydrophobicContact CD2-CB 4.23Å; L203-V216 HydrophobicContact CD2-CG1 4.14Å; L203-V216 HydrophobicContact CD2-CG2 3.76Å; I214-V216 HydrophobicContact CG2-CG2 4.1Å; V216-V218 HydrophobicContact CG1-CG2 4.1Å; V216-I233 HydrophobicContact CB-CG2 4.5Å; V216-I233 HydrophobicContact CG1-CG2 4.38Å; V216-I233 HydrophobicContact CG2-CG2 4.26Å; V216-V271 WeakPolarHBondContact O-CA 3.47Å; V216-F272 PolarHBondContact N-O 2.78Å; V216-F272 PolarHBondContact O-N 2.92Å; V216-L274 HydrophobicContact CG2-CD1 3.94Å; V216-V323 HydrophobicContact CG1-CG1 3.92Å; V216-V323 HydrophobicContact CG2-CG1 3.8Å; V216-V323 HydrophobicContact CG2-CG2 4.39Å; V216-V325 HydrophobicContact CG1-CG2 3.98Å
217N96.4Very high92.5Very high53 Ų5332 Ų3228%0.28318%0.176SC..EExtended strand (participates in β ladder)trans-79.8127.5172.6-54.2-49.8000108.6A201 S202 V271A201-N217 CarbonylContact C-O 3.5Å; A201-N217 WeakPolarHBondContact CA-O 3.31Å; S202-N217 PolarHBondContact N-O 3.45Å; S202-N217 PolarHBondContact O-N 3.39Å; S202-N217 WeakPolarHBondContact OG-CB 3.48Å; S202-N217 PolarHBondContact OG-ND2 3.16Å; S202-N217 VanDerWaalsContact OG-ND2 3.16Å; N217-V271 WeakPolarHBondContact OD1-CG1 3.21Å; N217-V271 WeakPolarHBondContact OD1-CG2 3.36Å
218V96.7Very high92.5Very high1 Ų131.2 Ų31.21%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-122.3118.8177.3179.70000108.9L199 V216 V220 M231 C269 K270 F272 V325L199-V218 HydrophobicContact CD1-CG1 3.92Å; V216-V218 HydrophobicContact CG1-CG2 4.1Å; V218-V220 HydrophobicContact CG1-CG2 4.01Å; V218-M231 HydrophobicContact CG1-SD 4.45Å; V218-C269 WeakPolarHBondContact O-CA 3.33Å; V218-K270 PolarHBondContact N-O 2.92Å; V218-K270 PolarHBondContact O-N 3.2Å; V218-K270 VanDerWaalsContact O-N 3.09Å; V218-F272 HydrophobicContact CB-CD2 4.26Å; V218-F272 HydrophobicContact CB-CE2 4.05Å; V218-F272 HydrophobicContact CG2-CD2 3.78Å; V218-F272 HydrophobicContact CG2-CE2 3.97Å; V218-V325 HydrophobicContact CG1-CG1 3.99Å; V218-V325 HydrophobicContact CG2-CG1 3.93Å; V218-V325 HydrophobicContact CG2-CG2 3.99Å
219H96.5Very high92.4Very high61 Ų6135.4 Ų35.428%0.28219%0.19SC..EExtended strand (participates in β ladder)trans-115.1123.5175.9-173.175.9000109.9E200 T221 F268E200-H219 HydrophobicContact CB-CB 4.27Å; E200-H219 PolarHBondContact N-O 2.99Å; E200-H219 PolarHBondContact O-N 2.77Å; E200-H219 VanDerWaalsContact O-O 3.06Å; H219-T221 PolarHBondContact NE2-OG1 3.28Å; H219-T221 VanDerWaalsContact NE2-OG1 3.14Å; H219-F268 WeakPolarHBondContact CA-O 3.42Å
220V95.7Very high92.4Very high0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-123119.9-180-174.80000108.7L197 H198 L199 V218 M231 V262 T267 F268 L327L197-V220 HydrophobicContact CD1-CG1 3.66Å; H198-V220 WeakPolarHBondContact O-CA 3.37Å; L199-V220 HydrophobicContact CD1-CG2 3.97Å; V218-V220 HydrophobicContact CG1-CG2 4.01Å; V220-M231 HydrophobicContact CG2-CE 4.02Å; V220-V262 HydrophobicContact CG1-CG1 4.39Å; V220-T267 CarbonylContact O-C 3.55Å; V220-T267 VanDerWaalsContact O-CA 3.27Å; V220-T267 WeakPolarHBondContact O-CA 3.42Å; V220-F268 HydrophobicContact CB-CB 4.31Å; V220-F268 HydrophobicContact CG2-CD1 4.5Å; V220-F268 PolarHBondContact N-O 3.36Å; V220-F268 PolarHBondContact O-N 3.39Å; V220-L327 HydrophobicContact CG1-CD1 3.97Å; V220-L327 HydrophobicContact CG2-CD1 3.91Å; V220-L327 HydrophobicContact CG2-CD2 4.1Å
221T94.9Very high92.5Very high28 Ų2832.4 Ų32.417%0.17218%0.178CC..EExtended strand (participates in β ladder)trans-108101.7171-720000108.7H198 H219 N223 T267H198-T221 PolarHBondContact N-O 3.43Å; H198-T221 PolarHBondContact O-N 2.85Å; H219-T221 PolarHBondContact NE2-OG1 3.28Å; H219-T221 VanDerWaalsContact NE2-OG1 3.14Å; T221-N223 PolarHBondContact O-N 3.28Å; T221-T267 HydrophobicContact CG2-CG2 4.15Å
222N92.6Very high92.9Very high0 Ų034.1 Ų34.10%018%0.177CC..EExtended strand (participates in β ladder)trans-97.390.4-176.6-17611.4000111L197 T224 K226 V262 A263 S265 S266L197-N222 HydrophobicContact CD1-CB 3.61Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 WeakPolarHBondContact OD1-CB 3.43Å; N222-T224 WeakPolarHBondContact OD1-CG2 3.3Å; N222-T224 PolarHBondContact OD1-N 3.21Å; N222-T224 VanDerWaalsContact OD1-N 3.08Å; N222-T224 PolarHBondContact OD1-OG1 3.27Å; N222-K226 PolarHBondContact ND2-O 3.01Å; N222-V262 HydrophobicContact CB-CG1 3.79Å; N222-V262 PolarHBondContact ND2-O 3.36Å; N222-A263 PolarHBondContact ND2-O 3.06Å; N222-S265 CarbonylContact O-C 3.44Å; N222-S265 WeakPolarHBondContact O-CA 3.4Å; N222-S265 PolarHBondContact O-N 3.16Å; N222-S266 WeakPolarHBondContact CB-O 3.43Å; N222-S266 PolarHBondContact N-O 2.88Å; N222-S266 PolarHBondContact O-N 3.38Å; N222-S266 VanDerWaalsContact O-N 3.16Å
223N91Very high93.1Very high70 Ų7032.4 Ų32.437%0.37417%0.169SC..  trans-85-1.8172.9-63.5-42.7000112.8K195 P196 T221K195-N223 HydrophobicContact CB-CB 4.06Å; K195-N223 WeakPolarHBondContact CB-O 3.16Å; K195-N223 HydrophobicContact CD-CB 4.45Å; K195-N223 WeakPolarHBondContact CD-O 3.4Å; P196-N223 WeakPolarHBondContact O-CB 3.2Å; P196-N223 PolarHBondContact O-N 3.49Å; T221-N223 PolarHBondContact O-N 3.28Å
224T88.6Confident93.2Very high1 Ų129.5 Ų29.51%0.00615%0.15CC..SBendtrans-75.9172-176.982.70000112F190 K195 P196 L197 N222 K226 P264 S265F190-T224 HydrophobicContact CD2-CG2 3.99Å; F190-T224 HydrophobicContact CE2-CG2 4.1Å; K195-T224 WeakPolarHBondContact O-CG2 3.24Å; P196-T224 VanDerWaalsContact C-CG2 3.46Å; L197-T224 HydrophobicContact CB-CG2 3.64Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 WeakPolarHBondContact OD1-CB 3.43Å; N222-T224 WeakPolarHBondContact OD1-CG2 3.3Å; N222-T224 PolarHBondContact OD1-N 3.21Å; N222-T224 VanDerWaalsContact OD1-N 3.08Å; N222-T224 PolarHBondContact OD1-OG1 3.27Å; T224-K226 VanDerWaalsContact C-N 3.3Å; T224-K226 PolarHBondContact OG1-N 2.89Å; T224-K226 PolarHBondContact OG1-O 2.91Å; T224-P264 WeakPolarHBondContact O-CB 3.15Å; T224-S265 PolarHBondContact O-N 2.98Å
225N86.2Confident93.2Very high100 Ų10029.5 Ų29.554%0.53515%0.15SC..SBendtrans-87.65.216963.6-0.2000113.4M192 S193M192-N225 PolarHBondContact O-ND2 2.9Å; S193-N225 WeakPolarHBondContact CB-OD1 3.37Å; S193-N225 PolarHBondContact OG-N 3.33Å; S193-N225 PolarHBondContact OG-OD1 3.14Å
226K86.2Confident93.2Very high15 Ų1530.3 Ų30.37%0.06515%0.148CC..SBendtrans-103.6154.7-177.1-56.6-175.6-169.2-57.40110.6F190 N222 T224 V329 S330F190-K226 HydrophobicContact CB-CD 4.24Å; F190-K226 VanDerWaalsContact CB-CE 3.43Å; F190-K226 HydrophobicContact CD1-CD 4.34Å; F190-K226 HydrophobicContact CD2-CD 4.22Å; F190-K226 HydrophobicContact CG-CD 4.02Å; N222-K226 PolarHBondContact ND2-O 3.01Å; T224-K226 VanDerWaalsContact C-N 3.3Å; T224-K226 PolarHBondContact OG1-N 2.89Å; T224-K226 PolarHBondContact OG1-O 2.91Å; K226-V329 HydrophobicContact CB-CG1 3.77Å; K226-V329 HydrophobicContact CD-CG1 4.17Å; K226-S330 WeakPolarHBondContact CD-O 3.42Å
227T88.6Confident93.1Very high43 Ų4330.4 Ų30.426%0.26415%0.149SC..PPolyproline II helixtrans-101134.8177.5-56.20000110.6K229 V261 V262 P264 S330T227-K229 PolarHBondContact O-N 3.34Å; T227-V261 HydrophobicContact CG2-CG1 3.24Å; T227-V262 WeakPolarHBondContact CA-O 3.46Å; T227-P264 WeakPolarHBondContact OG1-CD 3.43Å; T227-S330 WeakPolarHBondContact CA-OG 3.42Å; T227-S330 PolarHBondContact N-OG 2.87Å; T227-S330 WeakPolarHBondContact O-CB 3.5Å; T227-S330 PolarHBondContact O-N 3.07Å; T227-S330 PolarHBondContact O-OG 3.06Å
228V91Very high92.9Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-79.3118.3167.2-176.30000107.8L197 M231 V261 V262 L327 V329L197-V228 HydrophobicContact CD1-CG2 4.42Å; L197-V228 HydrophobicContact CD2-CG2 4.33Å; V228-M231 HydrophobicContact CG1-CE 4.39Å; V228-M231 HydrophobicContact CG1-CG 4.49Å; V228-V261 WeakPolarHBondContact O-CA 3.18Å; V228-V261 WeakPolarHBondContact O-CG1 3.49Å; V228-V262 HydrophobicContact CB-CB 3.87Å; V228-V262 HydrophobicContact CB-CG2 4.12Å; V228-V262 HydrophobicContact CG2-CB 3.98Å; V228-V262 HydrophobicContact CG2-CG2 4.41Å; V228-V262 PolarHBondContact N-O 3.49Å; V228-V262 PolarHBondContact O-N 3.41Å; V228-V262 VanDerWaalsContact O-N 3.15Å; V228-L327 HydrophobicContact CG1-CB 4.03Å; V228-L327 HydrophobicContact CG1-CD2 4.27Å; V228-V329 HydrophobicContact CG2-CG2 4.36Å
229K90.6Very high92.6Very high87 Ų8728.4 Ų28.438%0.37814%0.137SC..EExtended strand (participates in β ladder)trans-83-37.8-175.8-72-176.8170.8-178.70112.8T227 V328 D337T227-K229 PolarHBondContact O-N 3.34Å; K229-V328 PolarHBondContact N-O 2.74Å; K229-D337 IonicContact NZ-OD1 3.29Å; K229-D337 PolarHBondContact NZ-OD1 3Å; K229-D337 IonicContact NZ-OD2 2.77Å; K229-D337 PolarHBondContact NZ-OD2 3.22Å
230K91.2Very high92.2Very high59 Ų5927 Ų2726%0.25713%0.132SC..EExtended strand (participates in β ladder)trans-153.5149.2-170.5-169.8168.4-179157.80110.8E257 S258 D259 V328K230-E257 WeakPolarHBondContact CE-OE2 3.42Å; K230-E257 IonicContact NZ-OE2 3.58Å; K230-E257 PolarHBondContact NZ-OE2 2.9Å; K230-S258 VanDerWaalsContact CG-O 3.3Å; K230-S258 WeakPolarHBondContact CG-O 3.27Å; K230-D259 WeakPolarHBondContact CE-OD1 3.47Å; K230-D259 IonicContact NZ-OD1 2.86Å; K230-V328 HydrophobicContact CB-CB 4.17Å; K230-V328 HydrophobicContact CB-CG2 4.3Å; K230-V328 PolarHBondContact O-N 2.89Å
231M93.5Very high91.7Very high0 Ų027.2 Ų27.20%013%0.133CC..EExtended strand (participates in β ladder)trans-118.5137.9171.4-52.8-166.6-176.600110V218 V220 V228 I233 S258 V262 F268 L327V218-M231 HydrophobicContact CG1-SD 4.45Å; V220-M231 HydrophobicContact CG2-CE 4.02Å; V228-M231 HydrophobicContact CG1-CE 4.39Å; V228-M231 HydrophobicContact CG1-CG 4.49Å; M231-I233 HydrophobicContact CB-CD1 4.39Å; M231-S258 PolarHBondContact N-O 2.94Å; M231-S258 PolarHBondContact O-N 2.91Å; M231-V262 HydrophobicContact CE-CG2 3.23Å; M231-F268 HydrophobicContact CE-CD1 3.56Å; M231-F268 HydrophobicContact CE-CE1 3.65Å; M231-F268 HydrophobicContact CE-CG 4.09Å; M231-F268 HydrophobicContact CE-CZ 4.26Å; M231-F268 HydrophobicContact SD-CD1 4.14Å; M231-F268 HydrophobicContact SD-CE1 3.71Å; M231-F268 HydrophobicContact SD-CZ 4.38Å; M231-L327 HydrophobicContact CB-CD2 4.27Å; M231-L327 HydrophobicContact CE-CD2 4.03Å; M231-L327 HydrophobicContact CG-CD2 3.63Å; M231-L327 HydrophobicContact SD-CD2 3.76Å
232K95.6Very high90.9Very high68 Ų6826.9 Ų26.930%0.29613%0.132SC..EExtended strand (participates in β ladder)trans-128.1116.5176.2178.6168.3-172.41440109.4V255 E257 K326K232-V255 HydrophobicContact CD-CG1 4.49Å; K232-V255 HydrophobicContact CG-CG1 4.23Å; K232-E257 HydrophobicContact CB-CG 4.31Å; K232-E257 HydrophobicContact CD-CG 4.25Å; K232-E257 WeakPolarHBondContact CD-OE1 3.35Å; K232-E257 VanDerWaalsContact CE-OE1 3.3Å; K232-E257 WeakPolarHBondContact CE-OE1 3.4Å; K232-E257 HydrophobicContact CG-CG 4Å; K232-E257 IonicContact NZ-OE1 3.55Å; K232-E257 PolarHBondContact NZ-OE1 3.27Å; K232-K326 HydrophobicContact CB-CB 4.42Å; K232-K326 PolarHBondContact N-O 2.89Å; K232-K326 PolarHBondContact O-N 3.49Å
233I96.4Very high90Very high0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-104.1130.3174.9-56.182.2000106.8V216 M231 V255 E256 F272 L274 V323 K324 V325V216-I233 HydrophobicContact CB-CG2 4.5Å; V216-I233 HydrophobicContact CG1-CG2 4.38Å; V216-I233 HydrophobicContact CG2-CG2 4.26Å; M231-I233 HydrophobicContact CB-CD1 4.39Å; I233-V255 WeakPolarHBondContact O-CA 3.44Å; I233-E256 HydrophobicContact CB-CB 4.42Å; I233-E256 PolarHBondContact N-O 2.82Å; I233-E256 PolarHBondContact O-N 2.81Å; I233-E256 VanDerWaalsContact O-O 3.08Å; I233-F272 HydrophobicContact CD1-CB 4.43Å; I233-F272 HydrophobicContact CD1-CD1 3.78Å; I233-F272 HydrophobicContact CD1-CD2 3.69Å; I233-F272 HydrophobicContact CD1-CE1 3.86Å; I233-F272 HydrophobicContact CD1-CE2 3.76Å; I233-F272 HydrophobicContact CD1-CG 3.68Å; I233-F272 HydrophobicContact CD1-CZ 3.84Å; I233-F272 HydrophobicContact CG1-CB 4.38Å; I233-F272 HydrophobicContact CG1-CD2 4.01Å; I233-F272 HydrophobicContact CG1-CE2 4.46Å; I233-F272 HydrophobicContact CG1-CG 4.07Å; I233-L274 HydrophobicContact CB-CD1 4.14Å; I233-L274 HydrophobicContact CB-CD2 4.44Å; I233-L274 HydrophobicContact CG2-CD1 3.46Å; I233-L274 VanDerWaalsContact CG2-CD1 3.46Å; I233-L274 HydrophobicContact CG2-CD2 4.07Å; I233-L274 HydrophobicContact CG2-CG 4.45Å; I233-V323 HydrophobicContact CG2-CG1 3.93Å; I233-K324 CarbonylContact C-O 3.51Å; I233-K324 WeakPolarHBondContact CA-O 3.3Å; I233-V325 HydrophobicContact CG1-CG2 4.38Å; I233-V325 HydrophobicContact CG2-CG2 4.45Å
234S96.2Very high88.8Confident2 Ų231.6 Ų31.61%0.01415%0.149CC..EExtended strand (participates in β ladder)trans-140.1130.3178.859.50000111.7R236 A254 V323 K324S234-R236 PolarHBondContact OG-NE 3.36Å; S234-R236 VanDerWaalsContact OG-NE 3.11Å; S234-A254 CarbonylContact C-O 3.55Å; S234-A254 VanDerWaalsContact CA-O 3.24Å; S234-A254 WeakPolarHBondContact CA-O 3.45Å; S234-V323 CarbonylContact O-C 3.58Å; S234-K324 PolarHBondContact N-O 2.94Å; S234-K324 PolarHBondContact O-N 3.13Å
235V96.7Very high87.7Confident0 Ų035.6 Ų35.60%017%0.171CC..EExtended strand (participates in β ladder)trans-82.9124.9165.8-175.50000107.4I214 P252 V253 A254 L274 P276 Y321 V323 F349I214-V235 HydrophobicContact CD1-CG2 4.19Å; V235-P252 CarbonylContact O-C 3.5Å; V235-P252 WeakPolarHBondContact O-CA 3.01Å; V235-V253 HydrophobicContact CB-CG2 3.8Å; V235-V253 HydrophobicContact CG1-CG2 3.45Å; V235-V253 VanDerWaalsContact CG1-CG2 3.45Å; V235-V253 WeakPolarHBondContact O-CG2 3.42Å; V235-V253 PolarHBondContact O-N 2.82Å; V235-A254 HydrophobicContact CB-CB 4.04Å; V235-A254 HydrophobicContact CG2-CB 4.03Å; V235-A254 PolarHBondContact N-O 3.43Å; V235-A254 PolarHBondContact O-N 3.2Å; V235-L274 HydrophobicContact CG2-CB 3.95Å; V235-L274 HydrophobicContact CG2-CD2 4.13Å; V235-P276 HydrophobicContact CG1-CB 4.35Å; V235-Y321 HydrophobicContact CG1-CD1 4.42Å; V235-V323 HydrophobicContact CG2-CG2 4.37Å; V235-F349 HydrophobicContact CG1-CE1 3.84Å; V235-F349 HydrophobicContact CG1-CZ 3.6Å
236R94.9Very high87.1Confident49 Ų4936.5 Ų36.519%0.18518%0.18CC..EExtended strand (participates in β ladder)trans-122128.9-177.4-62.3-179.7176.6-163.9-13.3110.1S234 Y238 C251 P252 Y321 K322S234-R236 PolarHBondContact OG-NE 3.36Å; S234-R236 VanDerWaalsContact OG-NE 3.11Å; R236-Y238 HydrophobicContact CB-CD2 4.43Å; R236-Y238 HydrophobicContact CB-CE2 3.83Å; R236-C251 CarbonylContact C-O 3.59Å; R236-C251 WeakPolarHBondContact CA-O 3.49Å; R236-P252 HydrophobicContact CG-CB 4.5Å; R236-Y321 WeakPolarHBondContact O-CA 3.34Å; R236-K322 PolarHBondContact N-O 3.17Å; R236-K322 PolarHBondContact O-N 3.01Å
237Q95Very high86.8Confident1 Ų137 Ų371%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-89.7131.7167.3-171.4-168.169.200108.7K250 C251 V253 A288 V319 Y321Q237-K250 WeakPolarHBondContact O-CA 3.45Å; Q237-C251 PolarHBondContact N-O 2.8Å; Q237-C251 PolarHBondContact O-N 2.56Å; Q237-V253 HydrophobicContact CB-CG1 3.85Å; Q237-A288 PolarHBondContact NE2-O 2.88Å; Q237-V319 HydrophobicContact CG-CG1 3.92Å; Q237-Y321 HydrophobicContact CB-CD1 4Å; Q237-Y321 HydrophobicContact CB-CE1 3.62Å; Q237-Y321 HydrophobicContact CG-CD1 4.28Å; Q237-Y321 HydrophobicContact CG-CE1 3.67Å; Q237-Y321 HydrophobicContact CG-CE2 4.34Å; Q237-Y321 PolarHBondContact NE2-OH 2.85Å
238Y92.6Very high86.5Confident11 Ų1140.9 Ų40.94%0.04320%0.203CC..EExtended strand (participates in β ladder)trans-112.2126.3171.3-65-96.6000107.6R236 Y249 K250 V319 S320 K322 E346R236-Y238 HydrophobicContact CB-CD2 4.43Å; R236-Y238 HydrophobicContact CB-CE2 3.83Å; Y238-Y249 WeakPolarHBondContact CA-O 3.05Å; Y238-K250 HydrophobicContact CD1-CB 4.37Å; Y238-K250 HydrophobicContact CD1-CD 4.42Å; Y238-K250 HydrophobicContact CD1-CG 4.16Å; Y238-K250 HydrophobicContact CE1-CB 4.4Å; Y238-K250 HydrophobicContact CE1-CD 3.67Å; Y238-K250 HydrophobicContact CE1-CG 3.79Å; Y238-K250 WeakPolarHBondContact OH-CE 3.31Å; Y238-K250 PolarHBondContact OH-NZ 2.81Å; Y238-V319 CarbonylContact O-C 3.57Å; Y238-V319 WeakPolarHBondContact O-CA 3.39Å; Y238-S320 PolarHBondContact N-O 3.14Å; Y238-S320 PolarHBondContact O-N 2.96Å; Y238-K322 HydrophobicContact CD2-CD 4.36Å; Y238-K322 HydrophobicContact CD2-CG 4.17Å; Y238-K322 HydrophobicContact CE2-CB 3.93Å; Y238-K322 HydrophobicContact CE2-CD 3.79Å; Y238-K322 HydrophobicContact CE2-CG 3.8Å; Y238-E346 PolarHBondContact OH-OE1 3.17Å; Y238-E346 PolarHBondContact OH-OE2 3.2Å; Y238-E346 VanDerWaalsContact OH-OE2 3.07Å
239A90.9Very high86.3Confident1 Ų144.4 Ų44.41%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-122.6108.6174.900000109.1L129 Y249 A288 I317 I318L129-A239 HydrophobicContact CD2-CB 3.73Å; A239-Y249 PolarHBondContact N-O 2.69Å; A239-Y249 PolarHBondContact O-N 3.33Å; A239-A288 HydrophobicContact CB-CB 3.98Å; A239-I317 HydrophobicContact CB-CG2 4.19Å; A239-I318 WeakPolarHBondContact CA-O 3.29Å
240D88.2Confident86.2Confident31 Ų3144.8 Ų44.817%0.16622%0.218CC..EExtended strand (participates in β ladder)trans-97.9110-179.2-65.2-29.7000109.2C242 Q248 I317 I318D240-C242 PolarHBondContact O-N 2.86Å; D240-C242 PolarHBondContact O-SG 2.93Å; D240-C242 VanDerWaalsContact O-SG 3.41Å; D240-Q248 WeakPolarHBondContact OD1-CB 3.27Å; D240-Q248 WeakPolarHBondContact OD1-CG 3.43Å; D240-Q248 PolarHBondContact OD1-NE2 2.48Å; D240-I317 WeakPolarHBondContact O-CA 3.34Å; D240-I318 HydrophobicContact CB-CB 4.35Å; D240-I318 PolarHBondContact N-O 2.86Å; D240-I318 PolarHBondContact O-N 2.92Å
241I84.1Confident86.2Confident6 Ų642.5 Ų42.53%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-75.4116.5170-55.8-178000107.5F61 L129 T246 A247 Y249F61-I241 HydrophobicContact CZ-CG2 4.03Å; L129-I241 HydrophobicContact CD1-CD1 3.51Å; L129-I241 HydrophobicContact CD1-CG1 3.65Å; I241-T246 WeakPolarHBondContact O-CA 3.27Å; I241-A247 HydrophobicContact CD1-CB 4.42Å; I241-A247 PolarHBondContact N-O 3.37Å; I241-Y249 HydrophobicContact CD1-CD2 4.33Å; I241-Y249 HydrophobicContact CD1-CE2 3.69Å; I241-Y249 HydrophobicContact CG1-CE2 4.33Å
242C78.1Confident86.1Confident21 Ų2145 Ų4514%0.14223%0.225CC..  trans-102.3-3.4-175.6-60.70000112.9D240 R312 G316 I318D240-C242 PolarHBondContact O-N 2.86Å; D240-C242 PolarHBondContact O-SG 2.93Å; D240-C242 VanDerWaalsContact O-SG 3.41Å; C242-R312 VanDerWaalsContact CB-O 3.27Å; C242-R312 WeakPolarHBondContact CB-O 3.25Å; C242-G316 PolarHBondContact N-O 3.16Å; C242-I318 WeakPolarHBondContact SG-CD1 3.12Å
243L73.9Confident86Confident9 Ų941.9 Ų41.95%0.04721%0.212CC..SBendtrans-110.5128.1-177.4-15891.3000111.3F61 F75 K77 N245 E313F61-L243 HydrophobicContact CB-CD2 4.09Å; F61-L243 HydrophobicContact CD1-CB 4.44Å; F61-L243 HydrophobicContact CD1-CD2 3.34Å; F61-L243 HydrophobicContact CE1-CB 4.2Å; F61-L243 HydrophobicContact CE1-CD2 3.81Å; F61-L243 HydrophobicContact CG-CD2 3.74Å; F61-L243 HydrophobicContact CZ-CB 4.26Å; F75-L243 HydrophobicContact CE1-CD2 3.66Å; F75-L243 HydrophobicContact CZ-CD2 4.37Å; K77-L243 HydrophobicContact CB-CD2 4.08Å; K77-L243 HydrophobicContact CD-CD1 3.92Å; K77-L243 HydrophobicContact CD-CD2 3.74Å; K77-L243 HydrophobicContact CD-CG 4.36Å; L243-N245 VanDerWaalsContact C-N 3.31Å; L243-N245 PolarHBondContact O-N 3.4Å; L243-E313 WeakPolarHBondContact CD1-O 3.19Å
244F66.8Low85.9Confident159 Ų15942.7 Ų42.770%0.69722%0.219SC*.SBendtrans65.8-67174.8-163.2-92.6000115.7F75F75-F244 HydrophobicContact CE2-CD2 4.4Å
245N65.8Low85.8Confident86 Ų8645.6 Ų45.646%0.4624%0.236SC..SBendtrans-112.4112.4175.1-17110.7000109.3L243 A247L243-N245 VanDerWaalsContact C-N 3.31Å; L243-N245 PolarHBondContact O-N 3.4Å; N245-A247 PolarHBondContact O-N 3.41Å; N245-A247 VanDerWaalsContact O-N 3.11Å
246T73.3Confident85.7Confident118 Ų11849.8 Ų49.872%0.72426%0.256SS*.  trans-75.3104.9179.249.60000109.4I241I241-T246 WeakPolarHBondContact O-CA 3.27Å
247A78.6Confident85.7Confident27 Ų2751.8 Ų51.822%0.22327%0.267CS..EExtended strand (participates in β ladder)trans-127.5136.617800000109.5I241 N245 Y249I241-A247 HydrophobicContact CD1-CB 4.42Å; I241-A247 PolarHBondContact N-O 3.37Å; N245-A247 PolarHBondContact O-N 3.41Å; N245-A247 VanDerWaalsContact O-N 3.11Å; A247-Y249 HydrophobicContact CB-CE2 4.04Å
248Q83.9Confident85.6Confident124 Ų12452.4 Ų52.458%0.57927%0.272SS*.EExtended strand (participates in β ladder)trans-109.5117.5174173.1168.989.500109D240D240-Q248 WeakPolarHBondContact OD1-CB 3.27Å; D240-Q248 WeakPolarHBondContact OD1-CG 3.43Å; D240-Q248 PolarHBondContact OD1-NE2 2.48Å
249Y85.2Confident85.5Confident74 Ų7457.4 Ų57.429%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-94.4137.5169.6-66.9-90.8000109.8L129 Y238 A239 I241 A247 G286L129-Y249 HydrophobicContact CD1-CD2 4.24Å; L129-Y249 HydrophobicContact CD1-CE2 4.3Å; Y238-Y249 WeakPolarHBondContact CA-O 3.05Å; A239-Y249 PolarHBondContact N-O 2.69Å; A239-Y249 PolarHBondContact O-N 3.33Å; I241-Y249 HydrophobicContact CD1-CD2 4.33Å; I241-Y249 HydrophobicContact CD1-CE2 3.69Å; I241-Y249 HydrophobicContact CG1-CE2 4.33Å; A247-Y249 HydrophobicContact CB-CE2 4.04Å; Y249-G286 WeakPolarHBondContact CB-O 3.37Å
250K90.1Very high85.5Confident94 Ų9459.8 Ų59.841%0.40931%0.312SS..EExtended strand (participates in β ladder)trans-130.8107.6-178.4-179.4178.3-171.8152.40109.9Q237 Y238Q237-K250 WeakPolarHBondContact O-CA 3.45Å; Y238-K250 HydrophobicContact CD1-CB 4.37Å; Y238-K250 HydrophobicContact CD1-CD 4.42Å; Y238-K250 HydrophobicContact CD1-CG 4.16Å; Y238-K250 HydrophobicContact CE1-CB 4.4Å; Y238-K250 HydrophobicContact CE1-CD 3.67Å; Y238-K250 HydrophobicContact CE1-CG 3.79Å; Y238-K250 WeakPolarHBondContact OH-CE 3.31Å; Y238-K250 PolarHBondContact OH-NZ 2.81Å
251C90.6Very high85.6Confident11 Ų1162.6 Ų62.67%0.07433%0.33CS..EExtended strand (participates in β ladder)trans-120.3120-174.1-660000110.5R236 Q237 V253 R285 G286 L287R236-C251 CarbonylContact C-O 3.59Å; R236-C251 WeakPolarHBondContact CA-O 3.49Å; Q237-C251 PolarHBondContact N-O 2.8Å; Q237-C251 PolarHBondContact O-N 2.56Å; C251-V253 PolarHBondContact O-N 2.93Å; C251-R285 PolarHBondContact SG-O 2.92Å; C251-G286 VanDerWaalsContact SG-C 3.59Å; C251-G286 PolarHBondContact SG-O 3.38Å; C251-G286 VanDerWaalsContact SG-O 3.4Å; C251-L287 HydrophobicContact CB-CD1 4.04Å
252P92.2Very high86Confident52 Ų5262.4 Ų62.434%0.33833%0.329SS..EExtended strand (participates in β ladder)trans-71.8117.7169.729.2-30.6000109V235 R236 V255 N281 K284V235-P252 CarbonylContact O-C 3.5Å; V235-P252 WeakPolarHBondContact O-CA 3.01Å; R236-P252 HydrophobicContact CG-CB 4.5Å; P252-V255 HydrophobicContact CB-CG2 3.99Å; P252-N281 PolarHBondContact O-OD1 2.8Å; P252-K284 PolarHBondContact O-NZ 2.78Å
253V93Very high86.7Confident4 Ų463.6 Ų63.62%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-97.3-22.1-177.6-64.30000113.1V235 Q237 C251 P276 N281 L287 L300 Y321V235-V253 HydrophobicContact CB-CG2 3.8Å; V235-V253 HydrophobicContact CG1-CG2 3.45Å; V235-V253 VanDerWaalsContact CG1-CG2 3.45Å; V235-V253 WeakPolarHBondContact O-CG2 3.42Å; V235-V253 PolarHBondContact O-N 2.82Å; Q237-V253 HydrophobicContact CB-CG1 3.85Å; C251-V253 PolarHBondContact O-N 2.93Å; V253-P276 HydrophobicContact CB-CB 4.41Å; V253-P276 HydrophobicContact CG2-CB 3.8Å; V253-N281 PolarHBondContact O-ND2 2.64Å; V253-N281 PolarHBondContact O-OD1 2.97Å; V253-L287 HydrophobicContact CG1-CD1 3.58Å; V253-L300 HydrophobicContact CB-CD1 4.3Å; V253-L300 HydrophobicContact CG1-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD2 4.3Å; V253-Y321 HydrophobicContact CG2-CD1 4.5Å; V253-Y321 HydrophobicContact CG2-CE1 4.36Å
254A94.3Very high87.4Confident16 Ų1665.9 Ų65.913%0.13236%0.356CS..EExtended strand (participates in β ladder)trans-146.4143.6168.400000108.7S234 V235 L274S234-A254 CarbonylContact C-O 3.55Å; S234-A254 VanDerWaalsContact CA-O 3.24Å; S234-A254 WeakPolarHBondContact CA-O 3.45Å; V235-A254 HydrophobicContact CB-CB 4.04Å; V235-A254 HydrophobicContact CG2-CB 4.03Å; V235-A254 PolarHBondContact N-O 3.43Å; V235-A254 PolarHBondContact O-N 3.2Å; A254-L274 HydrophobicContact CB-CB 4.24Å; A254-L274 HydrophobicContact CB-CD2 4.16Å
255V94.4Very high88.6Confident64 Ų6462.2 Ų62.239%0.38835%0.35SS..EExtended strand (participates in β ladder)trans-140.4127.7179.7-177.30000108.3K232 I233 P252 E257K232-V255 HydrophobicContact CD-CG1 4.49Å; K232-V255 HydrophobicContact CG-CG1 4.23Å; I233-V255 WeakPolarHBondContact O-CA 3.44Å; P252-V255 HydrophobicContact CB-CG2 3.99Å; V255-E257 HydrophobicContact CG1-CG 4.14Å
256E94.8Very high89.9Confident88 Ų8860 Ų6041%0.41134%0.341SS..EExtended strand (participates in β ladder)trans-119.4127.8172.6-168.984.4177.600106.9I233 F272 L274I233-E256 HydrophobicContact CB-CB 4.42Å; I233-E256 PolarHBondContact N-O 2.82Å; I233-E256 PolarHBondContact O-N 2.81Å; I233-E256 VanDerWaalsContact O-O 3.08Å; E256-F272 HydrophobicContact CG-CD1 4.17Å; E256-L274 HydrophobicContact CB-CD1 4.28Å; E256-L274 HydrophobicContact CB-CD2 3.79Å; E256-L274 HydrophobicContact CB-CG 3.94Å
257E93.9Very high90.9Very high91 Ų9159 Ų5943%0.42534%0.335SS..EExtended strand (participates in β ladder)trans-116.8135.5176.3-70.9-171.5175.100109.4K230 K232 V255K230-E257 WeakPolarHBondContact CE-OE2 3.42Å; K230-E257 IonicContact NZ-OE2 3.58Å; K230-E257 PolarHBondContact NZ-OE2 2.9Å; K232-E257 HydrophobicContact CB-CG 4.31Å; K232-E257 HydrophobicContact CD-CG 4.25Å; K232-E257 WeakPolarHBondContact CD-OE1 3.35Å; K232-E257 VanDerWaalsContact CE-OE1 3.3Å; K232-E257 WeakPolarHBondContact CE-OE1 3.4Å; K232-E257 HydrophobicContact CG-CG 4Å; K232-E257 IonicContact NZ-OE1 3.55Å; K232-E257 PolarHBondContact NZ-OE1 3.27Å; V255-E257 HydrophobicContact CG1-CG 4.14Å
258S92.6Very high91.7Very high13 Ų1359.5 Ų59.59%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-126.4131.7176.5-175.70000111K230 M231 D260K230-S258 VanDerWaalsContact CG-O 3.3Å; K230-S258 WeakPolarHBondContact CG-O 3.27Å; M231-S258 PolarHBondContact N-O 2.94Å; M231-S258 PolarHBondContact O-N 2.91Å; S258-D260 PolarHBondContact O-N 2.78Å; S258-D260 WeakPolarHBondContact OG-CB 3.13Å; S258-D260 PolarHBondContact OG-N 2.9Å; S258-D260 PolarHBondContact OG-OD2 2.84Å
259D91Very high92.3Very high117 Ų11758.2 Ų58.263%0.62634%0.336SS*.  trans-88.115.8174.2-58.7-42.1000112.1K230 V261K230-D259 WeakPolarHBondContact CE-OD1 3.47Å; K230-D259 IonicContact NZ-OD1 2.86Å; D259-V261 PolarHBondContact O-N 2.88Å
260D90.6Very high92.8Very high50 Ų5058.4 Ų58.427%0.26734%0.338SS..  trans-59.2126.4171.8-66.6-44.3000110.6S258 F268 K270S258-D260 PolarHBondContact O-N 2.78Å; S258-D260 WeakPolarHBondContact OG-CB 3.13Å; S258-D260 PolarHBondContact OG-N 2.9Å; S258-D260 PolarHBondContact OG-OD2 2.84Å; D260-F268 HydrophobicContact CB-CE2 3.78Å; D260-F268 HydrophobicContact CB-CZ 3.82Å; D260-K270 IonicContact OD1-NZ 2.74Å; D260-K270 VanDerWaalsContact OD2-CD 3.28Å; D260-K270 WeakPolarHBondContact OD2-CD 3.39Å; D260-K270 IonicContact OD2-NZ 2.8Å; D260-K270 PolarHBondContact OD2-NZ 3.31Å
261V90.9Very high93.1Very high91 Ų9157.7 Ų57.755%0.55234%0.341SS*.  trans-99.6129.8-176.6179.60000110.1T227 V228 D259T227-V261 HydrophobicContact CG2-CG1 3.24Å; V228-V261 WeakPolarHBondContact O-CA 3.18Å; V228-V261 WeakPolarHBondContact O-CG1 3.49Å; D259-V261 PolarHBondContact O-N 2.88Å
262V92.5Very high93.3Very high2 Ų257.5 Ų57.51%0.01234%0.339CS..BIsolated β-bridgetrans-103.2108.2171.7-169.20000109.1V220 N222 T227 V228 M231 S266 F268V220-V262 HydrophobicContact CG1-CG1 4.39Å; N222-V262 HydrophobicContact CB-CG1 3.79Å; N222-V262 PolarHBondContact ND2-O 3.36Å; T227-V262 WeakPolarHBondContact CA-O 3.46Å; V228-V262 HydrophobicContact CB-CB 3.87Å; V228-V262 HydrophobicContact CB-CG2 4.12Å; V228-V262 HydrophobicContact CG2-CB 3.98Å; V228-V262 HydrophobicContact CG2-CG2 4.41Å; V228-V262 PolarHBondContact N-O 3.49Å; V228-V262 PolarHBondContact O-N 3.41Å; V228-V262 VanDerWaalsContact O-N 3.15Å; M231-V262 HydrophobicContact CE-CG2 3.23Å; V262-S266 WeakPolarHBondContact CG1-OG 3.39Å; V262-F268 HydrophobicContact CB-CB 4.49Å; V262-F268 HydrophobicContact CG1-CB 4.1Å; V262-F268 HydrophobicContact CG2-CB 3.6Å; V262-F268 HydrophobicContact CG2-CD1 4.42Å; V262-F268 HydrophobicContact CG2-CD2 4.29Å; V262-F268 HydrophobicContact CG2-CG 3.87Å
263A92Very high93.5Very high46 Ų4658.5 Ų58.538%0.3834%0.344SS..  trans-65.7159.7-179.600000111.8N222 S266N222-A263 PolarHBondContact ND2-O 3.06Å; A263-S266 PolarHBondContact N-OG 3.44Å; A263-S266 PolarHBondContact O-N 3.46Å; A263-S266 PolarHBondContact O-OG 3.1Å
264P90.1Very high93.6Very high56 Ų5658.5 Ų58.536%0.36434%0.344SS..THydrogen-bonded Turntrans-56.3142.1171.6-2536.2000111.9T224 T227 S266T224-P264 WeakPolarHBondContact O-CB 3.15Å; T227-P264 WeakPolarHBondContact OG1-CD 3.43Å; P264-S266 VanDerWaalsContact C-N 3.26Å; P264-S266 PolarHBondContact O-N 3.44Å
265S90.8Very high93.5Very high83 Ų8359.8 Ų59.858%0.5835%0.351SS*.THydrogen-bonded Turntrans55.835.4179.5-550000114.4N222 T224N222-S265 CarbonylContact O-C 3.44Å; N222-S265 WeakPolarHBondContact O-CA 3.4Å; N222-S265 PolarHBondContact O-N 3.16Å; T224-S265 PolarHBondContact O-N 2.98Å
266S93.7Very high93.3Very high39 Ų3956.9 Ų56.927%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-128.8160.4178.572.70000112.1N222 V262 A263 P264N222-S266 WeakPolarHBondContact CB-O 3.43Å; N222-S266 PolarHBondContact N-O 2.88Å; N222-S266 PolarHBondContact O-N 3.38Å; N222-S266 VanDerWaalsContact O-N 3.16Å; V262-S266 WeakPolarHBondContact CG1-OG 3.39Å; A263-S266 PolarHBondContact N-OG 3.44Å; A263-S266 PolarHBondContact O-N 3.46Å; A263-S266 PolarHBondContact O-OG 3.1Å; P264-S266 VanDerWaalsContact C-N 3.26Å; P264-S266 PolarHBondContact O-N 3.44Å
267T94.3Very high92.9Very high97 Ų9757.1 Ų57.160%0.59533%0.333SS*.EExtended strand (participates in β ladder)trans-110.1151.6173.958.70000110.4V220 T221V220-T267 CarbonylContact O-C 3.55Å; V220-T267 VanDerWaalsContact O-CA 3.27Å; V220-T267 WeakPolarHBondContact O-CA 3.42Å; T221-T267 HydrophobicContact CG2-CG2 4.15Å
268F95.7Very high92.5Very high38 Ų3853.6 Ų53.617%0.16732%0.317CS..EExtended strand (participates in β ladder)trans-137.7139.4178175.9-90.5000109.5H219 V220 M231 D260 V262 K270H219-F268 WeakPolarHBondContact CA-O 3.42Å; V220-F268 HydrophobicContact CB-CB 4.31Å; V220-F268 HydrophobicContact CG2-CD1 4.5Å; V220-F268 PolarHBondContact N-O 3.36Å; V220-F268 PolarHBondContact O-N 3.39Å; M231-F268 HydrophobicContact CE-CD1 3.56Å; M231-F268 HydrophobicContact CE-CE1 3.65Å; M231-F268 HydrophobicContact CE-CG 4.09Å; M231-F268 HydrophobicContact CE-CZ 4.26Å; M231-F268 HydrophobicContact SD-CD1 4.14Å; M231-F268 HydrophobicContact SD-CE1 3.71Å; M231-F268 HydrophobicContact SD-CZ 4.38Å; D260-F268 HydrophobicContact CB-CE2 3.78Å; D260-F268 HydrophobicContact CB-CZ 3.82Å; V262-F268 HydrophobicContact CB-CB 4.49Å; V262-F268 HydrophobicContact CG1-CB 4.1Å; V262-F268 HydrophobicContact CG2-CB 3.6Å; V262-F268 HydrophobicContact CG2-CD1 4.42Å; V262-F268 HydrophobicContact CG2-CD2 4.29Å; V262-F268 HydrophobicContact CG2-CG 3.87Å; F268-K270 HydrophobicContact CD1-CB 4.48Å; F268-K270 HydrophobicContact CE1-CB 3.49Å; F268-K270 VanDerWaalsContact CE1-CB 3.49Å; F268-K270 HydrophobicContact CE1-CD 4.49Å; F268-K270 HydrophobicContact CE2-CB 4.41Å; F268-K270 HydrophobicContact CZ-CB 3.46Å; F268-K270 VanDerWaalsContact CZ-CB 3.46Å; F268-K270 HydrophobicContact CZ-CD 3.75Å; F268-K270 HydrophobicContact CZ-CG 4.26Å
269C95.3Very high92.2Very high96 Ų9656.1 Ų56.165%0.64934%0.338SS*.EExtended strand (participates in β ladder)trans-141.9123.7176-170.50000108.7V218V218-C269 WeakPolarHBondContact O-CA 3.33Å
270K95.6Very high91.9Very high79 Ų7956.4 Ų56.434%0.34334%0.34SS..EExtended strand (participates in β ladder)trans-150.1146.4176.6-173.9168.8175.5174.50110.3V218 D260 F268 F272V218-K270 PolarHBondContact N-O 2.92Å; V218-K270 PolarHBondContact O-N 3.2Å; V218-K270 VanDerWaalsContact O-N 3.09Å; D260-K270 IonicContact OD1-NZ 2.74Å; D260-K270 VanDerWaalsContact OD2-CD 3.28Å; D260-K270 WeakPolarHBondContact OD2-CD 3.39Å; D260-K270 IonicContact OD2-NZ 2.8Å; D260-K270 PolarHBondContact OD2-NZ 3.31Å; F268-K270 HydrophobicContact CD1-CB 4.48Å; F268-K270 HydrophobicContact CE1-CB 3.49Å; F268-K270 VanDerWaalsContact CE1-CB 3.49Å; F268-K270 HydrophobicContact CE1-CD 4.49Å; F268-K270 HydrophobicContact CE2-CB 4.41Å; F268-K270 HydrophobicContact CZ-CB 3.46Å; F268-K270 VanDerWaalsContact CZ-CB 3.46Å; F268-K270 HydrophobicContact CZ-CD 3.75Å; F268-K270 HydrophobicContact CZ-CG 4.26Å; K270-F272 HydrophobicContact CB-CE2 4.04Å; K270-F272 HydrophobicContact CB-CZ 4.24Å; K270-F272 HydrophobicContact CD-CE1 3.95Å; K270-F272 HydrophobicContact CD-CE2 4.33Å; K270-F272 HydrophobicContact CD-CZ 3.73Å; K270-F272 HydrophobicContact CG-CE1 4.39Å; K270-F272 HydrophobicContact CG-CE2 4.14Å; K270-F272 HydrophobicContact CG-CZ 4.03Å
271V96.4Very high91.5Very high78 Ų7854.2 Ų54.247%0.47333%0.328SS..EExtended strand (participates in β ladder)trans-100.3127.3172.9-171.10000108.3V216 N217V216-V271 WeakPolarHBondContact O-CA 3.47Å; N217-V271 WeakPolarHBondContact OD1-CG1 3.21Å; N217-V271 WeakPolarHBondContact OD1-CG2 3.36Å
272F95.8Very high90.9Very high7 Ų754.8 Ų54.83%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-107.2145.8174.8-63.9-85.3000109.7S215 V216 V218 I233 E256 K270 L274S215-F272 WeakPolarHBondContact CA-O 3.31Å; V216-F272 PolarHBondContact N-O 2.78Å; V216-F272 PolarHBondContact O-N 2.92Å; V218-F272 HydrophobicContact CB-CD2 4.26Å; V218-F272 HydrophobicContact CB-CE2 4.05Å; V218-F272 HydrophobicContact CG2-CD2 3.78Å; V218-F272 HydrophobicContact CG2-CE2 3.97Å; I233-F272 HydrophobicContact CD1-CB 4.43Å; I233-F272 HydrophobicContact CD1-CD1 3.78Å; I233-F272 HydrophobicContact CD1-CD2 3.69Å; I233-F272 HydrophobicContact CD1-CE1 3.86Å; I233-F272 HydrophobicContact CD1-CE2 3.76Å; I233-F272 HydrophobicContact CD1-CG 3.68Å; I233-F272 HydrophobicContact CD1-CZ 3.84Å; I233-F272 HydrophobicContact CG1-CB 4.38Å; I233-F272 HydrophobicContact CG1-CD2 4.01Å; I233-F272 HydrophobicContact CG1-CE2 4.46Å; I233-F272 HydrophobicContact CG1-CG 4.07Å; E256-F272 HydrophobicContact CG-CD1 4.17Å; K270-F272 HydrophobicContact CB-CE2 4.04Å; K270-F272 HydrophobicContact CB-CZ 4.24Å; K270-F272 HydrophobicContact CD-CE1 3.95Å; K270-F272 HydrophobicContact CD-CE2 4.33Å; K270-F272 HydrophobicContact CD-CZ 3.73Å; K270-F272 HydrophobicContact CG-CE1 4.39Å; K270-F272 HydrophobicContact CG-CE2 4.14Å; K270-F272 HydrophobicContact CG-CZ 4.03Å; F272-L274 HydrophobicContact CB-CD1 4.22Å
273T95.8Very high90.1Very high73 Ų7364 Ų6445%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-120.9122.3179.1-55.70000109.9P213 I214P213-T273 HydrophobicContact CB-CG2 3.57Å; I214-T273 VanDerWaalsContact O-CA 3.31Å; I214-T273 WeakPolarHBondContact O-CA 3.46Å
274L94.6Very high89.5Confident5 Ų565.1 Ų65.13%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-124.3137.7179.2-65.293.9000110I214 V216 I233 V235 A254 E256 F272I214-L274 WeakPolarHBondContact CB-O 3.35Å; I214-L274 PolarHBondContact N-O 2.99Å; I214-L274 PolarHBondContact O-N 3.04Å; V216-L274 HydrophobicContact CG2-CD1 3.94Å; I233-L274 HydrophobicContact CB-CD1 4.14Å; I233-L274 HydrophobicContact CB-CD2 4.44Å; I233-L274 HydrophobicContact CG2-CD1 3.46Å; I233-L274 VanDerWaalsContact CG2-CD1 3.46Å; I233-L274 HydrophobicContact CG2-CD2 4.07Å; I233-L274 HydrophobicContact CG2-CG 4.45Å; V235-L274 HydrophobicContact CG2-CB 3.95Å; V235-L274 HydrophobicContact CG2-CD2 4.13Å; A254-L274 HydrophobicContact CB-CB 4.24Å; A254-L274 HydrophobicContact CB-CD2 4.16Å; E256-L274 HydrophobicContact CB-CD1 4.28Å; E256-L274 HydrophobicContact CB-CD2 3.79Å; E256-L274 HydrophobicContact CB-CG 3.94Å; F272-L274 HydrophobicContact CB-CD1 4.22Å
275T92.6Very high88.9Confident43 Ų4368.5 Ų68.526%0.26437%0.365SS..  trans-122.3108.7177-43.10000110.5G211 F277G211-T275 WeakPolarHBondContact O-CG2 3.47Å; T275-F277 HydrophobicContact CG2-CD2 3.73Å; T275-F277 HydrophobicContact CG2-CE1 4.41Å; T275-F277 HydrophobicContact CG2-CE2 3.14Å; T275-F277 HydrophobicContact CG2-CZ 3.54Å; T275-F277 PolarHBondContact O-N 2.87Å; T275-F277 VanDerWaalsContact O-N 3.17Å
276P90.3Very high88.2Confident3 Ų364.6 Ų64.62%0.01934%0.338CS..  trans-77.6100.2-178.431.2-33.4000111.1I214 V235 V253 L300I214-P276 HydrophobicContact CD1-CG 4.01Å; V235-P276 HydrophobicContact CG1-CB 4.35Å; V253-P276 HydrophobicContact CB-CB 4.41Å; V253-P276 HydrophobicContact CG2-CB 3.8Å; P276-L300 HydrophobicContact CB-CD1 4.02Å
277F86.9Confident87.9Confident93 Ų9362.8 Ų62.841%0.40833%0.325SS..  trans-105.9137.8175.9-76.6-69.2000112.6T275 A279 N280 N281T275-F277 HydrophobicContact CG2-CD2 3.73Å; T275-F277 HydrophobicContact CG2-CE1 4.41Å; T275-F277 HydrophobicContact CG2-CE2 3.14Å; T275-F277 HydrophobicContact CG2-CZ 3.54Å; T275-F277 PolarHBondContact O-N 2.87Å; T275-F277 VanDerWaalsContact O-N 3.17Å; F277-A279 VanDerWaalsContact C-N 3.25Å; F277-A279 PolarHBondContact O-N 2.73Å; F277-N280 PolarHBondContact O-N 2.76Å; F277-N281 PolarHBondContact O-ND2 2.83Å
278L85.9Confident87.7Confident17 Ų1758.1 Ų58.19%0.08930%0.297CS..G310 helixtrans-59.9-37.1171.5177.258.4000112N280 N281 R282 L287 L289 L293 T298 L300L278-N280 PolarHBondContact O-N 3.07Å; L278-N280 VanDerWaalsContact O-N 3.1Å; L278-N281 CarbonylContact O-C 3.51Å; L278-N281 PolarHBondContact O-N 2.96Å; L278-R282 HydrophobicContact CG-CG 4.47Å; L278-R282 WeakPolarHBondContact O-CG 3.34Å; L278-R282 PolarHBondContact O-N 3.31Å; L278-L287 HydrophobicContact CD1-CD2 3.72Å; L278-L289 HydrophobicContact CD1-CD2 3.37Å; L278-L289 HydrophobicContact CD2-CD2 4.1Å; L278-L289 HydrophobicContact CG-CD2 4.36Å; L278-L293 HydrophobicContact CD1-CD1 4.41Å; L278-T298 HydrophobicContact CD2-CG2 4.04Å; L278-T298 WeakPolarHBondContact CD2-O 3.43Å; L278-L300 HydrophobicContact CB-CD2 4.44Å; L278-L300 HydrophobicContact CB-CG 4.35Å; L278-L300 HydrophobicContact CD1-CD2 4.14Å
279A84.9Confident87.4Confident65 Ų6556.5 Ų56.554%0.53729%0.29SS..G310 helixtrans-51.9-37.2-178.700000113.3F277 N281F277-A279 VanDerWaalsContact C-N 3.25Å; F277-A279 PolarHBondContact O-N 2.73Å; A279-N281 VanDerWaalsContact C-N 3.3Å; A279-N281 PolarHBondContact O-N 2.83Å
280N84.6Confident87.1Confident124 Ų12452.2 Ų52.266%0.66326%0.261SS*.G310 helixtrans-82.7-5.8-178.9-62.3-11000113.6F277 L278F277-N280 PolarHBondContact O-N 2.76Å; L278-N280 PolarHBondContact O-N 3.07Å; L278-N280 VanDerWaalsContact O-N 3.1Å
281N82.5Confident86.5Confident3 Ų348.8 Ų48.82%0.01625%0.247CC..G310 helixtrans-127.27.4-169.1-64.6-75.5000113.5P252 V253 F277 L278 A279 E283 K284 L287P252-N281 PolarHBondContact O-OD1 2.8Å; V253-N281 PolarHBondContact O-ND2 2.64Å; V253-N281 PolarHBondContact O-OD1 2.97Å; F277-N281 PolarHBondContact O-ND2 2.83Å; L278-N281 CarbonylContact O-C 3.51Å; L278-N281 PolarHBondContact O-N 2.96Å; A279-N281 VanDerWaalsContact C-N 3.3Å; A279-N281 PolarHBondContact O-N 2.83Å; N281-E283 PolarHBondContact O-N 3.48Å; N281-K284 HydrophobicContact CB-CD 4.13Å; N281-K284 WeakPolarHBondContact O-CB 3.26Å; N281-K284 PolarHBondContact O-N 2.92Å; N281-K284 WeakPolarHBondContact OD1-CD 3.42Å; N281-K284 VanDerWaalsContact OD1-CE 3.29Å; N281-K284 WeakPolarHBondContact OD1-CE 3.43Å; N281-K284 PolarHBondContact OD1-NZ 2.81Å; N281-L287 HydrophobicContact CB-CD2 3.92Å
282R78.8Confident85.5Confident104 Ų10448.9 Ų48.939%0.39224%0.241SC..THydrogen-bonded Turntrans-58.1-22.5-174.5-68.2-172.4173.4-179.8-1.2114.9Q130 L278 L293Q130-R282 PolarHBondContact NE2-O 3.32Å; L278-R282 HydrophobicContact CG-CG 4.47Å; L278-R282 WeakPolarHBondContact O-CG 3.34Å; L278-R282 PolarHBondContact O-N 3.31Å; R282-L293 HydrophobicContact CB-CD1 4.37Å; R282-L293 HydrophobicContact CG-CD1 4.27Å
283E76.4Confident84.5Confident194 Ų19451.3 Ų51.391%0.90726%0.255SS*.THydrogen-bonded Turntrans-93.9-3.2-178.8-60.8-178.517400112.9N281N281-E283 PolarHBondContact O-N 3.48Å
284K79.3Confident83.5Confident71 Ų7150.3 Ų50.331%0.30924%0.244SC..  trans-82.4124.8-174.4-68.2-176.4178.8167.10111.5Q130 P252 N281Q130-K284 VanDerWaalsContact CD-O 3.26Å; Q130-K284 PolarHBondContact OE1-O 2.76Å; Q130-K284 VanDerWaalsContact OE1-O 3.07Å; P252-K284 PolarHBondContact O-NZ 2.78Å; N281-K284 HydrophobicContact CB-CD 4.13Å; N281-K284 WeakPolarHBondContact O-CB 3.26Å; N281-K284 PolarHBondContact O-N 2.92Å; N281-K284 WeakPolarHBondContact OD1-CD 3.42Å; N281-K284 VanDerWaalsContact OD1-CE 3.29Å; N281-K284 WeakPolarHBondContact OD1-CE 3.43Å; N281-K284 PolarHBondContact OD1-NZ 2.81Å
285R76.3Confident82.7Confident126 Ų12651.4 Ų51.448%0.47525%0.249SC..THydrogen-bonded Turntrans-65145.1171.8178.8176.2-167.2-155.56.4111.8G132 D135 C251 L287G132-R285 VanDerWaalsContact CA-CG 3.43Å; D135-R285 VanDerWaalsContact CG-NH2 3.34Å; D135-R285 IonicContact OD1-NH2 2.64Å; D135-R285 PolarHBondContact OD1-NH2 2.86Å; D135-R285 VanDerWaalsContact OD1-NH2 3.15Å; D135-R285 IonicContact OD2-CZ 2.66Å; D135-R285 IonicContact OD2-NE 3.53Å; D135-R285 PolarHBondContact OD2-NE 2.84Å; D135-R285 VanDerWaalsContact OD2-NE 3.14Å; D135-R285 IonicContact OD2-NH2 2.66Å; D135-R285 PolarHBondContact OD2-NH2 2.89Å; C251-R285 PolarHBondContact SG-O 2.92Å; R285-L287 PolarHBondContact O-N 2.79Å
286G76.4Confident81.9Confident2 Ų255 Ų552%0.02126%0.263CS..THydrogen-bonded Turntrans73.116.5169.900000113.8Q130 Y249 C251Q130-G286 PolarHBondContact O-N 2.96Å; Y249-G286 WeakPolarHBondContact CB-O 3.37Å; C251-G286 VanDerWaalsContact SG-C 3.59Å; C251-G286 PolarHBondContact SG-O 3.38Å; C251-G286 VanDerWaalsContact SG-O 3.4Å
287L86.9Confident81.4Confident0 Ų057.5 Ų57.50%028%0.276CS..  trans-78.4128.4173.3-171.171.2000109.4Q130 C251 V253 L278 N281 R285 L289 L300Q130-L287 HydrophobicContact CB-CB 4.29Å; Q130-L287 WeakPolarHBondContact CB-O 3.41Å; Q130-L287 PolarHBondContact N-O 2.91Å; C251-L287 HydrophobicContact CB-CD1 4.04Å; V253-L287 HydrophobicContact CG1-CD1 3.58Å; L278-L287 HydrophobicContact CD1-CD2 3.72Å; N281-L287 HydrophobicContact CB-CD2 3.92Å; R285-L287 PolarHBondContact O-N 2.79Å; L287-L289 HydrophobicContact CD2-CD2 3.86Å; L287-L289 HydrophobicContact CG-CD2 4.08Å; L287-L300 HydrophobicContact CD1-CD2 3.86Å; L287-L300 HydrophobicContact CD2-CD2 3.78Å; L287-L300 HydrophobicContact CG-CD2 4Å
288A90.4Very high81.3Confident0 Ų053.4 Ų53.40%026%0.259CS..EExtended strand (participates in β ladder)trans-82.5129.6172.900000110.4V127 L129 Q237 A239 A301 V319V127-A288 HydrophobicContact CG2-CB 4.07Å; L129-A288 HydrophobicContact CD2-CB 3.85Å; Q237-A288 PolarHBondContact NE2-O 2.88Å; A239-A288 HydrophobicContact CB-CB 3.98Å; A288-A301 HydrophobicContact CB-CB 3.71Å; A288-A301 WeakPolarHBondContact O-CB 3.24Å; A288-A301 PolarHBondContact O-N 2.85Å; A288-V319 HydrophobicContact CB-CG1 4.45Å; A288-V319 HydrophobicContact CB-CG2 3.72Å
289L90.8Very high81.5Confident3 Ų355.5 Ų55.52%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-119.9154-179.8-54.6179.9000109.4V127 T128 L278 L287 G291 L293 T298 N299 L300V127-L289 CarbonylContact C-O 3.52Å; V127-L289 VanDerWaalsContact CA-O 3.3Å; V127-L289 WeakPolarHBondContact CA-O 3.33Å; T128-L289 PolarHBondContact N-O 2.96Å; T128-L289 PolarHBondContact O-N 2.74Å; L278-L289 HydrophobicContact CD1-CD2 3.37Å; L278-L289 HydrophobicContact CD2-CD2 4.1Å; L278-L289 HydrophobicContact CG-CD2 4.36Å; L287-L289 HydrophobicContact CD2-CD2 3.86Å; L287-L289 HydrophobicContact CG-CD2 4.08Å; L289-G291 WeakPolarHBondContact CB-O 3.29Å; L289-G291 PolarHBondContact O-N 3.42Å; L289-L293 HydrophobicContact CD1-CB 4.04Å; L289-L293 HydrophobicContact CD1-CD1 3.87Å; L289-T298 HydrophobicContact CB-CG2 3.99Å; L289-T298 HydrophobicContact CD1-CG2 4.26Å; L289-N299 WeakPolarHBondContact CA-O 3.41Å; L289-L300 HydrophobicContact CD2-CD2 4.47Å
290D87Confident81.8Confident7 Ų752.5 Ų52.54%0.03725%0.245CC..SBendtrans-83.52173.265.43.5000113.2R169 N299 H353R169-D290 WeakPolarHBondContact CD-O 3.42Å; R169-D290 IonicContact NH1-OD1 2.75Å; D290-N299 PolarHBondContact N-O 3.05Å; D290-N299 PolarHBondContact OD1-N 2.69Å; D290-H353 IonicContact OD2-CE1 3.27Å; D290-H353 PolarHBondContact OD2-CE1 2.98Å; D290-H353 IonicContact OD2-NE2 3.43Å
291G83.2Confident82.1Confident6 Ų646.7 Ų46.76%0.06221%0.214CC..SBendtrans-163.6-165.8-175.300000111.7L289L289-G291 WeakPolarHBondContact CB-O 3.29Å; L289-G291 PolarHBondContact O-N 3.42Å
292K76.8Confident82.6Confident80 Ų8047.5 Ų47.535%0.34822%0.22SC..  trans-90.1134.9179-58.9-172.1179.2-176.30109.8K294 H295 T298K292-K294 HydrophobicContact CB-CG 4.16Å; K292-K294 PolarHBondContact O-N 2.85Å; K292-H295 PolarHBondContact O-N 2.84Å; K292-T298 PolarHBondContact N-OG1 2.82Å; K292-T298 PolarHBondContact O-OG1 2.86Å
293L74.9Confident83.2Confident59 Ų5942.9 Ų42.931%0.30920%0.203SC..THydrogen-bonded Turntrans-52.1-27.1-179.3-169.570.1000114.4L278 R282 L289 H295 L395L278-L293 HydrophobicContact CD1-CD1 4.41Å; R282-L293 HydrophobicContact CB-CD1 4.37Å; R282-L293 HydrophobicContact CG-CD1 4.27Å; L289-L293 HydrophobicContact CD1-CB 4.04Å; L289-L293 HydrophobicContact CD1-CD1 3.87Å; L293-H295 VanDerWaalsContact C-N 3.33Å; L293-L395 VanDerWaalsContact O-CD1 3.31Å; L293-L395 WeakPolarHBondContact O-CD1 3.46Å
294K73.7Confident83.8Confident52 Ų5235.3 Ų35.323%0.22617%0.171CC..THydrogen-bonded Turntrans-74.1-17.4178.668.1180-174.6176.50114.6K292 R394 L395 A398 E403K292-K294 HydrophobicContact CB-CG 4.16Å; K292-K294 PolarHBondContact O-N 2.85Å; K294-R394 WeakPolarHBondContact O-CA 3.39Å; K294-L395 PolarHBondContact O-N 2.86Å; K294-A398 HydrophobicContact CB-CB 4.44Å; K294-E403 IonicContact NZ-OE1 2.76Å; K294-E403 PolarHBondContact NZ-OE1 3.43Å
295H78.4Confident84Confident28 Ų2834.6 Ų34.613%0.1317%0.17CC..BIsolated β-bridgetrans-89.8140.1-178.5-50.8152.1000110.7K292 L293 D297 T298 R392 Q393K292-H295 PolarHBondContact O-N 2.84Å; L293-H295 VanDerWaalsContact C-N 3.33Å; H295-D297 VanDerWaalsContact C-N 3.29Å; H295-D297 WeakPolarHBondContact CB-OD1 3.45Å; H295-D297 PolarHBondContact O-N 2.85Å; H295-T298 WeakPolarHBondContact O-CB 3.4Å; H295-T298 PolarHBondContact O-N 3.41Å; H295-T298 PolarHBondContact O-OG1 3.36Å; H295-R392 HydrophobicContact CB-CB 4.23Å; H295-R392 WeakPolarHBondContact ND1-CD 3.49Å; H295-Q393 WeakPolarHBondContact CA-O 3.24Å
296E75.4Confident83.9Confident118 Ų11832.8 Ų32.855%0.55117%0.169SC*.THydrogen-bonded Turntrans-66.3-31.9-179.2-175.2174.717800113T298 Q393 L395E296-T298 PolarHBondContact O-N 3.39Å; E296-Q393 PolarHBondContact N-O 3.05Å; E296-Q393 VanDerWaalsContact N-O 3.1Å; E296-L395 HydrophobicContact CB-CD2 4.05Å; E296-L395 HydrophobicContact CB-CG 4.22Å; E296-L395 HydrophobicContact CG-CD2 4.06Å
297D80.7Confident83.8Confident55 Ų5536.4 Ų36.429%0.29418%0.182SC..THydrogen-bonded Turntrans-85.618.7-17863.9-4.4000114.1R169 H295 R392R169-D297 PolarHBondContact NH1-O 2.73Å; R169-D297 PolarHBondContact NH2-O 3.43Å; R169-D297 VanDerWaalsContact NH2-O 3.15Å; R169-D297 IonicContact NH2-OD1 3.64Å; R169-D297 IonicContact NH2-OD2 2.63Å; R169-D297 PolarHBondContact NH2-OD2 3.28Å; H295-D297 VanDerWaalsContact C-N 3.29Å; H295-D297 WeakPolarHBondContact CB-OD1 3.45Å; H295-D297 PolarHBondContact O-N 2.85Å; D297-R392 WeakPolarHBondContact OD2-CD 3.35Å; D297-R392 IonicContact OD2-CZ 2.77Å; D297-R392 IonicContact OD2-NE 3.31Å; D297-R392 IonicContact OD2-NH1 3.72Å; D297-R392 PolarHBondContact OD2-NH1 3.08Å
298T84.8Confident82.9Confident8 Ų846.1 Ų46.15%0.04923%0.228CC..  trans-94.9133.3179.7-64.10000110.8L278 L289 K292 H295 E296L278-T298 HydrophobicContact CD2-CG2 4.04Å; L278-T298 WeakPolarHBondContact CD2-O 3.43Å; L289-T298 HydrophobicContact CB-CG2 3.99Å; L289-T298 HydrophobicContact CD1-CG2 4.26Å; K292-T298 PolarHBondContact N-OG1 2.82Å; K292-T298 PolarHBondContact O-OG1 2.86Å; H295-T298 WeakPolarHBondContact O-CB 3.4Å; H295-T298 PolarHBondContact O-N 3.41Å; H295-T298 PolarHBondContact O-OG1 3.36Å; E296-T298 PolarHBondContact O-N 3.39Å
299N89.2Confident81.8Confident61 Ų6150.3 Ų50.333%0.32627%0.271SS..  trans-119.8179.8175.8-68.8-57.9000110.9L289 D290 H353L289-N299 WeakPolarHBondContact CA-O 3.41Å; D290-N299 PolarHBondContact N-O 3.05Å; D290-N299 PolarHBondContact OD1-N 2.69Å; N299-H353 PolarHBondContact ND2-NE2 3.09Å
300L91.2Very high80.8Confident2 Ų251.8 Ų51.81%0.0128%0.283CS..BIsolated β-bridgetrans-60.5144.2165.9-64.5174.7000109.3H210 V253 P276 L278 L287 L289 S302 Y321 L351H210-L300 PolarHBondContact CE1-O 2.74Å; H210-L300 PolarHBondContact NE2-O 2.84Å; V253-L300 HydrophobicContact CB-CD1 4.3Å; V253-L300 HydrophobicContact CG1-CD1 4.36Å; V253-L300 HydrophobicContact CG1-CD2 4.3Å; P276-L300 HydrophobicContact CB-CD1 4.02Å; L278-L300 HydrophobicContact CB-CD2 4.44Å; L278-L300 HydrophobicContact CB-CG 4.35Å; L278-L300 HydrophobicContact CD1-CD2 4.14Å; L287-L300 HydrophobicContact CD1-CD2 3.86Å; L287-L300 HydrophobicContact CD2-CD2 3.78Å; L287-L300 HydrophobicContact CG-CD2 4Å; L289-L300 HydrophobicContact CD2-CD2 4.47Å; L300-S302 PolarHBondContact O-N 2.84Å; L300-Y321 WeakPolarHBondContact CB-OH 3.49Å; L300-L351 HydrophobicContact CB-CD2 4.44Å; L300-L351 HydrophobicContact CD1-CD2 4.42Å
301A92Very high80.1Confident2 Ų255.3 Ų55.32%0.01730%0.302CS..PPolyproline II helixtrans-58.8136.517700000110.6V127 A288 V319 Y321V127-A301 HydrophobicContact CG2-CB 3.96Å; A288-A301 HydrophobicContact CB-CB 3.71Å; A288-A301 WeakPolarHBondContact O-CB 3.24Å; A288-A301 PolarHBondContact O-N 2.85Å; A301-V319 HydrophobicContact CB-CB 4.39Å; A301-V319 HydrophobicContact CB-CG1 4.09Å; A301-V319 HydrophobicContact CB-CG2 3.88Å; A301-Y321 VanDerWaalsContact O-CE2 3.24Å; A301-Y321 WeakPolarHBondContact O-CE2 3.41Å; A301-Y321 VanDerWaalsContact O-CZ 3.32Å; A301-Y321 PolarHBondContact O-OH 2.88Å
302S92Very high79.7Confident20 Ų2061.6 Ų61.614%0.1432%0.324CS..PPolyproline II helixtrans-71.7154.7176.2-57.30000110.6H210 L300 T304 L351 H353H210-S302 PolarHBondContact NE2-OG 3.37Å; H210-S302 VanDerWaalsContact NE2-OG 3.1Å; L300-S302 PolarHBondContact O-N 2.84Å; S302-T304 PolarHBondContact O-N 2.83Å; S302-L351 CarbonylContact C-O 3.57Å; S302-L351 WeakPolarHBondContact CA-O 3.38Å; S302-L351 WeakPolarHBondContact CB-O 3.16Å; S302-H353 PolarHBondContact OG-ND1 2.95Å
303S91.9Very high79.5Confident6 Ų663.2 Ų63.24%0.04233%0.332CS..PPolyproline II helixtrans-58.2132.7175.4-710000110.8L305 V319 Y321 T350 L351S303-L305 PolarHBondContact O-N 3.49Å; S303-V319 WeakPolarHBondContact CA-O 2.87Å; S303-Y321 WeakPolarHBondContact OG-CD2 3.28Å; S303-T350 WeakPolarHBondContact OG-CA 3.49Å; S303-L351 PolarHBondContact N-O 2.74Å; S303-L351 PolarHBondContact OG-N 3.14Å
304T88.8Confident79.3Confident36 Ų3663.8 Ų63.822%0.22134%0.335CS..  trans-78.3114.8176.7-49.60000109.8S302 L306 L315 V319S302-T304 PolarHBondContact O-N 2.83Å; T304-L306 PolarHBondContact O-N 2.69Å; T304-L315 HydrophobicContact CG2-CD1 4.4Å; T304-V319 PolarHBondContact N-O 2.72Å; T304-V319 PolarHBondContact OG1-N 3.21Å
305L83.2Confident79.3Confident56 Ų5662 Ų6229%0.29333%0.328SS..  trans-81.1115.1172.6-57.9-177.8000110.1V31 S303 T350 M352V31-L305 HydrophobicContact CG2-CD1 3.97Å; S303-L305 PolarHBondContact O-N 3.49Å; L305-T350 HydrophobicContact CD2-CG2 4.24Å; L305-M352 HydrophobicContact CD1-CE 3.8Å; L305-M352 HydrophobicContact CD1-SD 4.02Å; L305-M352 HydrophobicContact CD2-SD 4.46Å; L305-M352 HydrophobicContact CG-CE 4.14Å; L305-M352 HydrophobicContact CG-SD 4.31Å
306L74.5Confident79.5Confident88 Ų8860.6 Ų60.646%0.46132%0.322SS..PPolyproline II helixtrans-84.4123.4176.2-64.4172.9000109.6T304 L315 I318T304-L306 PolarHBondContact O-N 2.69Å; L306-L315 HydrophobicContact CD2-CD1 3.07Å; L306-I318 HydrophobicContact CD2-CD1 4.14Å
307R73Confident80.1Confident78 Ų7855.1 Ų55.129%0.29430%0.296SS..PPolyproline II helixtrans-81.3148.5167.8-62.5-172-153.4-148.62.8110.7V31 G309 A310V31-R307 PolarHBondContact O-NH1 3Å; V31-R307 PolarHBondContact O-NH2 2.74Å; R307-G309 PolarHBondContact O-N 2.67Å; R307-A310 HydrophobicContact CB-CB 4.36Å; R307-A310 VanDerWaalsContact O-CB 3.24Å; R307-A310 WeakPolarHBondContact O-CB 3.14Å; R307-A310 PolarHBondContact O-N 2.85Å
308E68.5Low80.5Confident204 Ų20452.9 Ų52.995%0.95328%0.284SS*.THydrogen-bonded Turntrans-58.3125.2170.9-66.6-174.1164.400109.8
309G68.1Low80.9Confident88 Ų8852.6 Ų52.691%0.90728%0.282SS*.THydrogen-bonded Turntrans86.3-2.1-175.500000115.8R307 N311R307-G309 PolarHBondContact O-N 2.67Å; G309-N311 PolarHBondContact O-N 2.86Å
310A69.8Low81.1Confident33 Ų3351.5 Ų51.527%0.27328%0.279SS..  trans-69.6130.5174.700000111.4R307 R312R307-A310 HydrophobicContact CB-CB 4.36Å; R307-A310 VanDerWaalsContact O-CB 3.24Å; R307-A310 WeakPolarHBondContact O-CB 3.14Å; R307-A310 PolarHBondContact O-N 2.85Å; A310-R312 PolarHBondContact O-N 2.82Å
311N72.9Confident81.3Confident81 Ų8151.6 Ų51.643%0.43328%0.28SS..  trans-74.6115.5175.2-175-10.6000109.8G309 E313 I314G309-N311 PolarHBondContact O-N 2.86Å; N311-E313 PolarHBondContact O-N 3.32Å; N311-E313 VanDerWaalsContact O-N 3.16Å; N311-E313 WeakPolarHBondContact OD1-CB 3.42Å; N311-E313 PolarHBondContact OD1-N 2.8Å; N311-I314 HydrophobicContact CB-CB 4.41Å; N311-I314 HydrophobicContact CB-CD1 3.73Å; N311-I314 HydrophobicContact CB-CG1 3.86Å; N311-I314 WeakPolarHBondContact O-CB 3.47Å; N311-I314 PolarHBondContact O-N 3.11Å
312R74Confident81.5Confident139 Ų13954.9 Ų54.953%0.52529%0.293SS..THydrogen-bonded Turntrans-57.2-30.3-178.9-64.3-178.272.1177.72.1112.9C242 A310 I314 L315 I318C242-R312 VanDerWaalsContact CB-O 3.27Å; C242-R312 WeakPolarHBondContact CB-O 3.25Å; A310-R312 PolarHBondContact O-N 2.82Å; R312-I314 VanDerWaalsContact C-N 3.32Å; R312-I314 PolarHBondContact O-N 2.77Å; R312-L315 PolarHBondContact O-N 2.84Å; R312-I318 HydrophobicContact CB-CD1 4.16Å; R312-I318 HydrophobicContact CG-CD1 4.29Å
313E72.1Confident81.7Confident113 Ų11353.9 Ų53.953%0.52829%0.287SS..THydrogen-bonded Turntrans-68.6-32177.6-61.2-177.117200112.3L243 N311 L315 G316L243-E313 WeakPolarHBondContact CD1-O 3.19Å; N311-E313 PolarHBondContact O-N 3.32Å; N311-E313 VanDerWaalsContact O-N 3.16Å; N311-E313 WeakPolarHBondContact OD1-CB 3.42Å; N311-E313 PolarHBondContact OD1-N 2.8Å; E313-L315 PolarHBondContact O-N 3.4Å; E313-G316 PolarHBondContact O-N 3.25Å
314I71.7Confident82Confident72 Ų7255.1 Ų55.137%0.36929%0.291SS..THydrogen-bonded Turntrans-71.2-23-178.8-62.6179.8000111.2P124 N311 R312 G316P124-I314 WeakPolarHBondContact CD-O 3.42Å; N311-I314 HydrophobicContact CB-CB 4.41Å; N311-I314 HydrophobicContact CB-CD1 3.73Å; N311-I314 HydrophobicContact CB-CG1 3.86Å; N311-I314 WeakPolarHBondContact O-CB 3.47Å; N311-I314 PolarHBondContact O-N 3.11Å; R312-I314 VanDerWaalsContact C-N 3.32Å; R312-I314 PolarHBondContact O-N 2.77Å; I314-G316 VanDerWaalsContact C-N 3.29Å; I314-G316 PolarHBondContact O-N 2.83Å
315L73.9Confident82.3Confident13 Ų1353.4 Ų53.47%0.06828%0.281CS..THydrogen-bonded Turntrans-78.1-13.5-178-63171.7000113.6P124 T304 L306 R312 E313 I317 I318P124-L315 HydrophobicContact CB-CB 4.49Å; P124-L315 HydrophobicContact CB-CD2 4.3Å; P124-L315 WeakPolarHBondContact CB-O 3.47Å; T304-L315 HydrophobicContact CG2-CD1 4.4Å; L306-L315 HydrophobicContact CD2-CD1 3.07Å; R312-L315 PolarHBondContact O-N 2.84Å; E313-L315 PolarHBondContact O-N 3.4Å; L315-I317 VanDerWaalsContact C-N 3.25Å; L315-I317 PolarHBondContact O-N 3.36Å; L315-I318 HydrophobicContact CB-CG1 4.35Å; L315-I318 HydrophobicContact CD1-CD1 4.49Å; L315-I318 HydrophobicContact CD1-CG1 4.45Å
316G82Confident82.9Confident0 Ų053.8 Ų53.80%028%0.28CS..SBendtrans70.1-75.5179.700000112.8C242 E313 I314C242-G316 PolarHBondContact N-O 3.16Å; E313-G316 PolarHBondContact O-N 3.25Å; I314-G316 VanDerWaalsContact C-N 3.29Å; I314-G316 PolarHBondContact O-N 2.83Å
317I87.4Confident83.8Confident2 Ų249.6 Ų49.61%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-124119.8-177.4-46.9-178.2000109F61 V127 L129 A239 D240 L315 V319F61-I317 HydrophobicContact CE2-CD1 4.22Å; F61-I317 HydrophobicContact CE2-CG1 3.77Å; V127-I317 HydrophobicContact CG1-CB 3.84Å; V127-I317 HydrophobicContact CG1-CD1 4.16Å; V127-I317 HydrophobicContact CG1-CG1 4.22Å; V127-I317 HydrophobicContact CG2-CB 4.36Å; V127-I317 HydrophobicContact CG2-CD1 4.47Å; V127-I317 HydrophobicContact CG2-CG2 4.28Å; L129-I317 HydrophobicContact CD1-CD1 3.74Å; L129-I317 HydrophobicContact CD1-CG2 4.32Å; L129-I317 HydrophobicContact CG-CD1 3.83Å; L129-I317 HydrophobicContact CG-CG2 4.44Å; A239-I317 HydrophobicContact CB-CG2 4.19Å; D240-I317 WeakPolarHBondContact O-CA 3.34Å; L315-I317 VanDerWaalsContact C-N 3.25Å; L315-I317 PolarHBondContact O-N 3.36Å; I317-V319 HydrophobicContact CG2-CG2 4.28Å
318I89.9Confident84.7Confident9 Ų947.6 Ų47.65%0.04626%0.255CS..EExtended strand (participates in β ladder)trans-98.2119.2175.9-58.7177.2000108.3A239 D240 C242 L306 R312 L315A239-I318 WeakPolarHBondContact CA-O 3.29Å; D240-I318 HydrophobicContact CB-CB 4.35Å; D240-I318 PolarHBondContact N-O 2.86Å; D240-I318 PolarHBondContact O-N 2.92Å; C242-I318 WeakPolarHBondContact SG-CD1 3.12Å; L306-I318 HydrophobicContact CD2-CD1 4.14Å; R312-I318 HydrophobicContact CB-CD1 4.16Å; R312-I318 HydrophobicContact CG-CD1 4.29Å; L315-I318 HydrophobicContact CB-CG1 4.35Å; L315-I318 HydrophobicContact CD1-CD1 4.49Å; L315-I318 HydrophobicContact CD1-CG1 4.45Å
319V92.7Very high85.6Confident2 Ų238 Ų381%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-103.7130.3178.7-176.50000109.7V127 Q237 Y238 A288 A301 S303 T304 I317 Y321V127-V319 HydrophobicContact CG2-CG2 3.96Å; Q237-V319 HydrophobicContact CG-CG1 3.92Å; Y238-V319 CarbonylContact O-C 3.57Å; Y238-V319 WeakPolarHBondContact O-CA 3.39Å; A288-V319 HydrophobicContact CB-CG1 4.45Å; A288-V319 HydrophobicContact CB-CG2 3.72Å; A301-V319 HydrophobicContact CB-CB 4.39Å; A301-V319 HydrophobicContact CB-CG1 4.09Å; A301-V319 HydrophobicContact CB-CG2 3.88Å; S303-V319 WeakPolarHBondContact CA-O 2.87Å; T304-V319 PolarHBondContact N-O 2.72Å; T304-V319 PolarHBondContact OG1-N 3.21Å; I317-V319 HydrophobicContact CG2-CG2 4.28Å; V319-Y321 HydrophobicContact CG1-CD2 4.42Å; V319-Y321 HydrophobicContact CG1-CE2 3.72Å
320S93.9Very high86.3Confident38 Ų3834.9 Ų34.927%0.26617%0.174SC..EExtended strand (participates in β ladder)trans-139.3153.6173.863.20000111.5Y238Y238-S320 PolarHBondContact N-O 3.14Å; Y238-S320 PolarHBondContact O-N 2.96Å
321Y95.3Very high86.4Confident3 Ų340.9 Ų40.91%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-120.7143179.6-67.9-97.4000111.3V235 R236 Q237 V253 L300 A301 S303 V319 F349 L351V235-Y321 HydrophobicContact CG1-CD1 4.42Å; R236-Y321 WeakPolarHBondContact O-CA 3.34Å; Q237-Y321 HydrophobicContact CB-CD1 4Å; Q237-Y321 HydrophobicContact CB-CE1 3.62Å; Q237-Y321 HydrophobicContact CG-CD1 4.28Å; Q237-Y321 HydrophobicContact CG-CE1 3.67Å; Q237-Y321 HydrophobicContact CG-CE2 4.34Å; Q237-Y321 PolarHBondContact NE2-OH 2.85Å; V253-Y321 HydrophobicContact CG2-CD1 4.5Å; V253-Y321 HydrophobicContact CG2-CE1 4.36Å; L300-Y321 WeakPolarHBondContact CB-OH 3.49Å; A301-Y321 VanDerWaalsContact O-CE2 3.24Å; A301-Y321 WeakPolarHBondContact O-CE2 3.41Å; A301-Y321 VanDerWaalsContact O-CZ 3.32Å; A301-Y321 PolarHBondContact O-OH 2.88Å; S303-Y321 WeakPolarHBondContact OG-CD2 3.28Å; V319-Y321 HydrophobicContact CG1-CD2 4.42Å; V319-Y321 HydrophobicContact CG1-CE2 3.72Å; Y321-F349 VanDerWaalsContact CB-CZ 3.45Å; Y321-F349 HydrophobicContact CD1-CZ 4.22Å; Y321-F349 HydrophobicContact CG-CE2 4.39Å; Y321-F349 HydrophobicContact CG-CZ 4.08Å; Y321-F349 PolarHBondContact O-N 2.82Å; Y321-L351 HydrophobicContact CD1-CD2 4.31Å; Y321-L351 HydrophobicContact CD2-CB 3.81Å; Y321-L351 HydrophobicContact CD2-CD2 4.45Å; Y321-L351 HydrophobicContact CE1-CD2 3.78Å; Y321-L351 HydrophobicContact CE2-CB 3.86Å; Y321-L351 HydrophobicContact CE2-CD2 3.94Å; Y321-L351 HydrophobicContact CG-CB 4.25Å
322K96Very high85.7Confident71 Ų7140 Ų4031%0.30920%0.2SC..EExtended strand (participates in β ladder)trans-138.8139.8172-50.9-177.2-178.6179.40111R236 Y238 E346 L347R236-K322 PolarHBondContact N-O 3.17Å; R236-K322 PolarHBondContact O-N 3.01Å; Y238-K322 HydrophobicContact CD2-CD 4.36Å; Y238-K322 HydrophobicContact CD2-CG 4.17Å; Y238-K322 HydrophobicContact CE2-CB 3.93Å; Y238-K322 HydrophobicContact CE2-CD 3.79Å; Y238-K322 HydrophobicContact CE2-CG 3.8Å; K322-E346 HydrophobicContact CD-CB 4.38Å; K322-L347 CarbonylContact C-O 3.56Å; K322-L347 WeakPolarHBondContact CA-O 3.26Å
323V96.9Very high84.9Confident0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-83.7124.9163.1177.80000107.9L203 I214 V216 I233 S234 V235 V325 E346 L347 F349L203-V323 HydrophobicContact CD1-CG2 4.19Å; L203-V323 HydrophobicContact CD2-CB 4.28Å; L203-V323 HydrophobicContact CD2-CG1 4.48Å; L203-V323 HydrophobicContact CD2-CG2 3.92Å; I214-V323 HydrophobicContact CG2-CG2 4.31Å; V216-V323 HydrophobicContact CG1-CG1 3.92Å; V216-V323 HydrophobicContact CG2-CG1 3.8Å; V216-V323 HydrophobicContact CG2-CG2 4.39Å; I233-V323 HydrophobicContact CG2-CG1 3.93Å; S234-V323 CarbonylContact O-C 3.58Å; V235-V323 HydrophobicContact CG2-CG2 4.37Å; V323-V325 HydrophobicContact CG1-CG2 4.39Å; V323-E346 CarbonylContact O-C 3.58Å; V323-E346 VanDerWaalsContact O-CA 3.25Å; V323-E346 WeakPolarHBondContact O-CA 3.3Å; V323-L347 HydrophobicContact CB-CD1 4.4Å; V323-L347 HydrophobicContact CG1-CD1 4.45Å; V323-L347 PolarHBondContact N-O 2.83Å; V323-L347 PolarHBondContact O-N 2.77Å; V323-F349 HydrophobicContact CG2-CD1 3.86Å; V323-F349 HydrophobicContact CG2-CE1 3.74Å
324K96.6Very high83.8Confident31 Ų3140.1 Ų40.114%0.13523%0.229CC..EExtended strand (participates in β ladder)trans-109.1120.3172.2-177.4175.8-164.5124.60109.9I233 S234 S344 V345 E346I233-K324 CarbonylContact C-O 3.51Å; I233-K324 WeakPolarHBondContact CA-O 3.3Å; S234-K324 PolarHBondContact N-O 2.94Å; S234-K324 PolarHBondContact O-N 3.13Å; K324-S344 WeakPolarHBondContact CE-OG 3.07Å; K324-V345 WeakPolarHBondContact CA-O 3.39Å; K324-E346 HydrophobicContact CB-CG 4.03Å; K324-E346 HydrophobicContact CD-CG 4.25Å; K324-E346 WeakPolarHBondContact CD-OE1 3.37Å; K324-E346 HydrophobicContact CG-CG 3.89Å; K324-E346 IonicContact NZ-OE1 3.54Å; K324-E346 PolarHBondContact NZ-OE1 3.07Å
325V96.6Very high82.9Confident0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-100123.3170.2-178.10000107.9L199 A201 V216 V218 I233 V323 S344 V345 L347L199-V325 HydrophobicContact CD1-CG1 4.16Å; A201-V325 HydrophobicContact CB-CG2 4Å; V216-V325 HydrophobicContact CG1-CG2 3.98Å; V218-V325 HydrophobicContact CG1-CG1 3.99Å; V218-V325 HydrophobicContact CG2-CG1 3.93Å; V218-V325 HydrophobicContact CG2-CG2 3.99Å; I233-V325 HydrophobicContact CG1-CG2 4.38Å; I233-V325 HydrophobicContact CG2-CG2 4.45Å; V323-V325 HydrophobicContact CG1-CG2 4.39Å; V325-S344 CarbonylContact O-C 3.46Å; V325-S344 WeakPolarHBondContact O-CA 3.37Å; V325-S344 WeakPolarHBondContact O-CB 3.19Å; V325-V345 HydrophobicContact CB-CG2 3.98Å; V325-V345 PolarHBondContact N-O 2.92Å; V325-V345 PolarHBondContact O-N 2.82Å; V325-L347 HydrophobicContact CG2-CD1 4.47Å
326K95.4Very high81.9Confident64 Ų6446.6 Ų46.628%0.27828%0.278SS..EExtended strand (participates in β ladder)trans-125.3121.5-178.4-175.2-175.6-179.6-169.60110K232 D342 V343K232-K326 HydrophobicContact CB-CB 4.42Å; K232-K326 PolarHBondContact N-O 2.89Å; K232-K326 PolarHBondContact O-N 3.49Å; K326-D342 WeakPolarHBondContact CE-OD2 3.44Å; K326-D342 HydrophobicContact CG-CB 4.3Å; K326-D342 IonicContact NZ-OD2 3.09Å; K326-D342 PolarHBondContact NZ-OD2 3.3Å; K326-V343 CarbonylContact C-O 3.55Å; K326-V343 WeakPolarHBondContact CA-O 3.27Å
327L92.9Very high80.5Confident0 Ų052.9 Ų52.90%031%0.312CS..EExtended strand (participates in β ladder)trans-96.6130172.7-55.3-178.1000109.9L197 L199 V220 V228 M231 V329 D342 V343L197-L327 HydrophobicContact CD2-CD1 4.29Å; L199-L327 HydrophobicContact CB-CD1 4Å; L199-L327 HydrophobicContact CD1-CD1 4Å; L199-L327 HydrophobicContact CD1-CD2 4.44Å; L199-L327 HydrophobicContact CD1-CG 4.27Å; L199-L327 HydrophobicContact CD2-CD1 3.94Å; L199-L327 HydrophobicContact CD2-CG 3.93Å; L199-L327 HydrophobicContact CG-CD1 4.19Å; V220-L327 HydrophobicContact CG1-CD1 3.97Å; V220-L327 HydrophobicContact CG2-CD1 3.91Å; V220-L327 HydrophobicContact CG2-CD2 4.1Å; V228-L327 HydrophobicContact CG1-CB 4.03Å; V228-L327 HydrophobicContact CG1-CD2 4.27Å; M231-L327 HydrophobicContact CB-CD2 4.27Å; M231-L327 HydrophobicContact CE-CD2 4.03Å; M231-L327 HydrophobicContact CG-CD2 3.63Å; M231-L327 HydrophobicContact SD-CD2 3.76Å; L327-V329 HydrophobicContact CB-CG2 4.5Å; L327-D342 VanDerWaalsContact O-CA 3.31Å; L327-D342 WeakPolarHBondContact O-CA 3.4Å; L327-V343 HydrophobicContact CB-CB 4.45Å; L327-V343 PolarHBondContact N-O 2.81Å; L327-V343 PolarHBondContact O-N 3.14Å
328V91.1Very high78.9Confident37 Ų3760.7 Ų60.722%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-97.1107.4173.7-177.10000108.3K229 K230K229-V328 PolarHBondContact N-O 2.74Å; K230-V328 HydrophobicContact CB-CB 4.17Å; K230-V328 HydrophobicContact CB-CG2 4.3Å; K230-V328 PolarHBondContact O-N 2.89Å
329V88.3Confident77.1Confident2 Ų263.5 Ų63.51%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-97.6130.6-176-169.70000110.5F190 L197 K226 V228 L327 V343F190-V329 HydrophobicContact CE1-CB 4.45Å; F190-V329 HydrophobicContact CE1-CG1 4.43Å; F190-V329 HydrophobicContact CE2-CG1 4.36Å; F190-V329 HydrophobicContact CZ-CB 4.12Å; F190-V329 HydrophobicContact CZ-CG1 3.97Å; F190-V329 HydrophobicContact CZ-CG2 3.94Å; L197-V329 HydrophobicContact CD2-CG2 3.72Å; K226-V329 HydrophobicContact CB-CG1 3.77Å; K226-V329 HydrophobicContact CD-CG1 4.17Å; V228-V329 HydrophobicContact CG2-CG2 4.36Å; L327-V329 HydrophobicContact CB-CG2 4.5Å; V329-V343 HydrophobicContact CG2-CG2 4.26Å
330S82.1Confident75.5Confident23 Ų2366.6 Ų66.616%0.16140%0.399CS..  trans-65140.9173.158.40000111.2K226 T227K226-S330 WeakPolarHBondContact CD-O 3.42Å; T227-S330 WeakPolarHBondContact CA-OG 3.42Å; T227-S330 PolarHBondContact N-OG 2.87Å; T227-S330 WeakPolarHBondContact O-CB 3.5Å; T227-S330 PolarHBondContact O-N 3.07Å; T227-S330 PolarHBondContact O-OG 3.06Å
331R72.3Confident74.6Confident158 Ų15866.4 Ų66.460%0.59640%0.397SS*.  trans-99.9115.4171.1-147.4-178.1-174.5-150.10.4109
332G58.6Low74.1Confident63 Ų6368 Ų6865%0.64941%0.406SS*.  trans-72.1120.6167.500000111
333G56.8Low73.8Confident65 Ų6564.8 Ų64.867%0.6739%0.392SS*.SBendtrans162.5163.4177.100000114.1L335G333-L335 VanDerWaalsContact C-N 3.28Å; G333-L335 PolarHBondContact O-N 3.11Å
334L48.8Very low73.7Confident189 Ų18967 Ų6799%0.9941%0.408SS*.THydrogen-bonded Turntrans-70.7-7.5-170.9-158.372.8000115.6
335L52.5Low73.7Confident161 Ų16166 Ų6684%0.84340%0.404SS*.THydrogen-bonded Turntrans-103.511.6-170.1-92.3164.9000116G333G333-L335 VanDerWaalsContact C-N 3.28Å; G333-L335 PolarHBondContact O-N 3.11Å
336G53.5Low73.6Confident61 Ų6168.9 Ų68.963%0.62942%0.418SS*.  trans70169.8167.300000116.3L338G336-L338 PolarHBondContact O-N 2.62Å
337D53.8Low73.6Confident132 Ų13265.9 Ų65.971%0.70641%0.405SS*.SBendtrans-67.224.6-162.3-127.5-0.4000116.4K229K229-D337 IonicContact NZ-OD1 3.29Å; K229-D337 PolarHBondContact NZ-OD1 3Å; K229-D337 IonicContact NZ-OD2 2.77Å; K229-D337 PolarHBondContact NZ-OD2 3.22Å
338L52.4Low73.7Confident166 Ų16669.8 Ų69.887%0.86943%0.43SS*.SBendtrans-85.8-10.3-166.6-73.4159.9000115.5G336G336-L338 PolarHBondContact O-N 2.62Å
339A52.3Low73.9Confident67 Ų6768.4 Ų68.455%0.55442%0.421SS*.  trans-146.799.3176.500000111.8
340S59.5Low74.1Confident67 Ų6769.4 Ų69.447%0.46943%0.427SS..  trans-70.9135.9174.465.30000111D342S340-D342 VanDerWaalsContact CB-OD1 3.24Å; S340-D342 WeakPolarHBondContact CB-OD1 3.45Å; S340-D342 PolarHBondContact O-N 2.87Å; S340-D342 PolarHBondContact OG-OD1 3.45Å; S340-D342 PolarHBondContact OG-OD2 2.88Å
341S74.5Confident74.6Confident34 Ų3468.3 Ų68.324%0.23842%0.42CS..  trans-96.382.8173.5-63.80000109.1
342D85.3Confident75.4Confident38 Ų3860.8 Ų60.820%0.20339%0.391CS..  trans-76.9138.5-173.9-55.9-27.5000111.6R188 K326 L327 S340R188-D342 PolarHBondContact NH1-O 2.7Å; K326-D342 WeakPolarHBondContact CE-OD2 3.44Å; K326-D342 HydrophobicContact CG-CB 4.3Å; K326-D342 IonicContact NZ-OD2 3.09Å; K326-D342 PolarHBondContact NZ-OD2 3.3Å; L327-D342 VanDerWaalsContact O-CA 3.31Å; L327-D342 WeakPolarHBondContact O-CA 3.4Å; S340-D342 VanDerWaalsContact CB-OD1 3.24Å; S340-D342 WeakPolarHBondContact CB-OD1 3.45Å; S340-D342 PolarHBondContact O-N 2.87Å; S340-D342 PolarHBondContact OG-OD1 3.45Å; S340-D342 PolarHBondContact OG-OD2 2.88Å
343V90.6Very high76.7Confident2 Ų259.3 Ų59.31%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-110.5135.6172.9-174.70000108.1T186 R188 F190 L197 L199 K326 L327 V329T186-V343 HydrophobicContact CG2-CG1 3.58Å; R188-V343 HydrophobicContact CB-CG1 4.27Å; R188-V343 HydrophobicContact CB-CG2 3.84Å; R188-V343 HydrophobicContact CG-CG2 3.94Å; F190-V343 HydrophobicContact CE1-CG2 4.46Å; F190-V343 HydrophobicContact CZ-CG2 3.84Å; L197-V343 HydrophobicContact CD2-CG2 4.07Å; L199-V343 HydrophobicContact CD2-CG1 4.2Å; K326-V343 CarbonylContact C-O 3.55Å; K326-V343 WeakPolarHBondContact CA-O 3.27Å; L327-V343 HydrophobicContact CB-CB 4.45Å; L327-V343 PolarHBondContact N-O 2.81Å; L327-V343 PolarHBondContact O-N 3.14Å; V329-V343 HydrophobicContact CG2-CG2 4.26Å
344S94Very high78Confident47 Ų4759.3 Ų59.333%0.32936%0.355SS..EExtended strand (participates in β ladder)trans-148147178.567.50000113.4K324 V325K324-S344 WeakPolarHBondContact CE-OG 3.07Å; V325-S344 CarbonylContact O-C 3.46Å; V325-S344 WeakPolarHBondContact O-CA 3.37Å; V325-S344 WeakPolarHBondContact O-CB 3.19Å
345V95.6Very high79.3Confident10 Ų1053.1 Ų53.16%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-119.1153.2168.7-660000109.8A184 T186 L199 A201 K324 V325 L347A184-V345 HydrophobicContact CB-CB 4.21Å; T186-V345 HydrophobicContact CG2-CG1 3.41Å; T186-V345 VanDerWaalsContact CG2-CG1 3.41Å; L199-V345 HydrophobicContact CD2-CG1 4.1Å; L199-V345 HydrophobicContact CD2-CG2 3.94Å; L199-V345 HydrophobicContact CG-CG1 4.27Å; L199-V345 HydrophobicContact CG-CG2 4.12Å; A201-V345 HydrophobicContact CB-CG2 3.86Å; K324-V345 WeakPolarHBondContact CA-O 3.39Å; V325-V345 HydrophobicContact CB-CG2 3.98Å; V325-V345 PolarHBondContact N-O 2.92Å; V325-V345 PolarHBondContact O-N 2.82Å; V345-L347 HydrophobicContact CG2-CD1 4.5Å
346E95.8Very high80.2Confident61 Ų6148.3 Ų48.329%0.28530%0.299SS..EExtended strand (participates in β ladder)trans-125.5130175-62.7-169.1177.800109.5Y238 K322 V323 K324Y238-E346 PolarHBondContact OH-OE1 3.17Å; Y238-E346 PolarHBondContact OH-OE2 3.2Å; Y238-E346 VanDerWaalsContact OH-OE2 3.07Å; K322-E346 HydrophobicContact CD-CB 4.38Å; V323-E346 CarbonylContact O-C 3.58Å; V323-E346 VanDerWaalsContact O-CA 3.25Å; V323-E346 WeakPolarHBondContact O-CA 3.3Å; K324-E346 HydrophobicContact CB-CG 4.03Å; K324-E346 HydrophobicContact CD-CG 4.25Å; K324-E346 WeakPolarHBondContact CD-OE1 3.37Å; K324-E346 HydrophobicContact CG-CG 3.89Å; K324-E346 IonicContact NZ-OE1 3.54Å; K324-E346 PolarHBondContact NZ-OE1 3.07Å
347L95.4Very high80.4Confident1 Ų152.6 Ų52.61%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-113118.3178.1-56102.3000109P182 A184 A201 L203 K322 V323 V325 V345P182-L347 HydrophobicContact CB-CB 4.45Å; P182-L347 HydrophobicContact CB-CD2 4.42Å; P182-L347 VanDerWaalsContact O-CD2 3.31Å; P182-L347 WeakPolarHBondContact O-CD2 3.36Å; A184-L347 HydrophobicContact CB-CD2 4.04Å; A184-L347 HydrophobicContact CB-CG 3.91Å; A201-L347 HydrophobicContact CB-CD1 3.77Å; A201-L347 HydrophobicContact CB-CD2 4.4Å; A201-L347 WeakPolarHBondContact O-CD2 3.47Å; L203-L347 HydrophobicContact CD1-CB 4.1Å; L203-L347 HydrophobicContact CG-CB 4.24Å; L203-L347 HydrophobicContact CG-CD2 4.3Å; K322-L347 CarbonylContact C-O 3.56Å; K322-L347 WeakPolarHBondContact CA-O 3.26Å; V323-L347 HydrophobicContact CB-CD1 4.4Å; V323-L347 HydrophobicContact CG1-CD1 4.45Å; V323-L347 PolarHBondContact N-O 2.83Å; V323-L347 PolarHBondContact O-N 2.77Å; V325-L347 HydrophobicContact CG2-CD1 4.47Å; V345-L347 HydrophobicContact CG2-CD1 4.5Å
348P95.1Very high80.4Confident82 Ų8254.1 Ų54.153%0.53231%0.309SS..EExtended strand (participates in β ladder)trans-71.6146.9173.331.6-33.5000110.5
349F94.2Very high80Confident8 Ų849.3 Ų49.34%0.03528%0.283CS..EExtended strand (participates in β ladder)trans-149.7166.6169.673.7-86.7000110.1L203 E206 Y208 I214 V235 Y321 V323 L351L203-F349 HydrophobicContact CD1-CB 3.84Å; L203-F349 HydrophobicContact CD1-CD1 4.33Å; L203-F349 HydrophobicContact CD1-CG 4.38Å; E206-F349 WeakPolarHBondContact O-CA 3.2Å; E206-F349 WeakPolarHBondContact O-CB 3.48Å; Y208-F349 HydrophobicContact CD2-CB 4.29Å; Y208-F349 AromaticContact CD2-CD2 3.62Å; Y208-F349 HydrophobicContact CD2-CD2 3.62Å; Y208-F349 HydrophobicContact CD2-CE2 4.24Å; Y208-F349 HydrophobicContact CD2-CG 4.18Å; Y208-F349 HydrophobicContact CE2-CB 4.32Å; Y208-F349 HydrophobicContact CE2-CD2 4.31Å; Y208-F349 HydrophobicContact CE2-CG 4.44Å; I214-F349 HydrophobicContact CD1-CE1 4.27Å; I214-F349 HydrophobicContact CD1-CE2 3.71Å; I214-F349 HydrophobicContact CD1-CZ 3.56Å; V235-F349 HydrophobicContact CG1-CE1 3.84Å; V235-F349 HydrophobicContact CG1-CZ 3.6Å; Y321-F349 VanDerWaalsContact CB-CZ 3.45Å; Y321-F349 HydrophobicContact CD1-CZ 4.22Å; Y321-F349 HydrophobicContact CG-CE2 4.39Å; Y321-F349 HydrophobicContact CG-CZ 4.08Å; Y321-F349 PolarHBondContact O-N 2.82Å; V323-F349 HydrophobicContact CG2-CD1 3.86Å; V323-F349 HydrophobicContact CG2-CE1 3.74Å; F349-L351 HydrophobicContact CE2-CB 4Å; F349-L351 HydrophobicContact CE2-CD1 4.49Å
350T92.8Very high79.2Confident22 Ų2249.6 Ų49.614%0.13528%0.28CS..EExtended strand (participates in β ladder)trans-108.5122.1-177.2-67.90000109.8E206 I207 Y208 S303 L305 M352E206-T350 PolarHBondContact O-N 3.39Å; I207-T350 CarbonylContact C-O 3.5Å; I207-T350 WeakPolarHBondContact CA-O 3.47Å; I207-T350 HydrophobicContact CG1-CG2 4.37Å; I207-T350 HydrophobicContact CG2-CG2 4.31Å; Y208-T350 PolarHBondContact N-O 3.1Å; S303-T350 WeakPolarHBondContact OG-CA 3.49Å; L305-T350 HydrophobicContact CD2-CG2 4.24Å; T350-M352 HydrophobicContact CG2-CG 3.63Å; T350-M352 HydrophobicContact CG2-SD 3.43Å; T350-M352 WeakPolarHBondContact CG2-SD 3.47Å
351L92.2Very high78.1Confident1 Ų152.9 Ų52.91%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-108119.6176.7-175.669000109.4Y208 L300 S302 S303 Y321 F349Y208-L351 WeakPolarHBondContact O-CA 3.47Å; L300-L351 HydrophobicContact CB-CD2 4.44Å; L300-L351 HydrophobicContact CD1-CD2 4.42Å; S302-L351 CarbonylContact C-O 3.57Å; S302-L351 WeakPolarHBondContact CA-O 3.38Å; S302-L351 WeakPolarHBondContact CB-O 3.16Å; S303-L351 PolarHBondContact N-O 2.74Å; S303-L351 PolarHBondContact OG-N 3.14Å; Y321-L351 HydrophobicContact CD1-CD2 4.31Å; Y321-L351 HydrophobicContact CD2-CB 3.81Å; Y321-L351 HydrophobicContact CD2-CD2 4.45Å; Y321-L351 HydrophobicContact CE1-CD2 3.78Å; Y321-L351 HydrophobicContact CE2-CB 3.86Å; Y321-L351 HydrophobicContact CE2-CD2 3.94Å; Y321-L351 HydrophobicContact CG-CB 4.25Å; F349-L351 HydrophobicContact CE2-CB 4Å; F349-L351 HydrophobicContact CE2-CD1 4.49Å
352M90.3Very high76.6Confident0 Ų060.9 Ų60.90%032%0.318CS..EExtended strand (participates in β ladder)trans-144.5174.4-174.5-64.2-177.286.300112.7Q172 Y173 A174 Y208 Y209 H210 L305 T350Q172-M352 HydrophobicContact CB-CE 3.59Å; Q172-M352 HydrophobicContact CG-CE 3.34Å; Y173-M352 WeakPolarHBondContact O-CE 3.05Å; A174-M352 HydrophobicContact CB-CB 4.12Å; A174-M352 HydrophobicContact CB-SD 4.34Å; Y208-M352 PolarHBondContact O-N 3.46Å; Y209-M352 VanDerWaalsContact CA-O 3.32Å; Y209-M352 WeakPolarHBondContact CA-O 2.99Å; H210-M352 PolarHBondContact CD2-O 3.15Å; H210-M352 PolarHBondContact N-O 2.95Å; L305-M352 HydrophobicContact CD1-CE 3.8Å; L305-M352 HydrophobicContact CD1-SD 4.02Å; L305-M352 HydrophobicContact CD2-SD 4.46Å; L305-M352 HydrophobicContact CG-CE 4.14Å; L305-M352 HydrophobicContact CG-SD 4.31Å; T350-M352 HydrophobicContact CG2-CG 3.63Å; T350-M352 HydrophobicContact CG2-SD 3.43Å; T350-M352 WeakPolarHBondContact CG2-SD 3.47Å
353H86.2Confident74.1Confident32 Ų3266.5 Ų66.515%0.14834%0.336CS..BIsolated β-bridgetrans-80.7144.6171.8-76.576.4000111.1Y173 A174 H210 D290 N299 S302Y173-H353 HydrophobicContact CD1-CB 3.52Å; Y173-H353 HydrophobicContact CE1-CB 3.63Å; A174-H353 PolarHBondContact N-O 2.94Å; H210-H353 AromaticContact CD2-CE1 3.35Å; H210-H353 PolarHBondContact CD2-CE1 2.86Å; H210-H353 AromaticContact CD2-CG 3.85Å; H210-H353 AromaticContact CD2-ND1 3.39Å; H210-H353 PolarHBondContact CD2-ND1 3.39Å; H210-H353 AromaticContact CD2-NE2 3.79Å; H210-H353 AromaticContact NE2-CE1 3.54Å; H210-H353 AromaticContact NE2-ND1 3.58Å; D290-H353 IonicContact OD2-CE1 3.27Å; D290-H353 PolarHBondContact OD2-CE1 2.98Å; D290-H353 IonicContact OD2-NE2 3.43Å; N299-H353 PolarHBondContact ND2-NE2 3.09Å; S302-H353 PolarHBondContact OG-ND1 2.95Å
354P83.1Confident71.4Confident64 Ų6473.8 Ų73.842%0.41638%0.375SS..PPolyproline II helixtrans-68.8146.4173.129.9-33.6000110.4Y209Y209-P354 VanDerWaalsContact CD1-CA 3.45Å; Y209-P354 HydrophobicContact CD1-CB 3.76Å; Y209-P354 HydrophobicContact CD1-CG 4.49Å; Y209-P354 HydrophobicContact CD2-CB 4.48Å; Y209-P354 VanDerWaalsContact CE1-CA 3.47Å; Y209-P354 HydrophobicContact CE1-CB 4Å; Y209-P354 HydrophobicContact CG-CB 4.01Å
355K76.9Confident68.3Low59 Ų5975.4 Ų75.426%0.25739%0.392SS..PPolyproline II helixtrans-68.1130.5167.4-65.8-170.7-175.2-165.30108.6Y173 A174 E176Y173-K355 HydrophobicContact CD2-CB 4.32Å; Y173-K355 HydrophobicContact CD2-CG 3.96Å; Y173-K355 HydrophobicContact CG-CG 4.21Å; A174-K355 WeakPolarHBondContact O-CE 3.01Å; E176-K355 HydrophobicContact CG-CD 4.4Å; E176-K355 IonicContact OE1-NZ 2.93Å; E176-K355 PolarHBondContact OE1-NZ 2.98Å
356P70.9Confident65.5Low60 Ų6081 Ų8139%0.3943%0.428SS..PPolyproline II helixtrans-63.1138.7173.523.9-29.5000109.6Y173 E358Y173-P356 HydrophobicContact CE2-CG 3.92Å; P356-E358 PolarHBondContact O-N 2.91Å; P356-E358 VanDerWaalsContact O-N 3.11Å
357L57.4Low63Low152 Ų15286 Ų8680%0.79646%0.456SS*.G310 helixtrans-63.7-17.1-175.1-71.7158.7000113.4E359 S360L357-E359 PolarHBondContact O-N 3.49Å; L357-S360 PolarHBondContact O-N 2.91Å; L357-S360 PolarHBondContact O-OG 2.86Å
358E53.4Low60Low163 Ų16394.9 Ų94.976%0.76250%0.498SS*.G310 helixtrans-69.6-23.9-173.1-69.2-175.2158.500114.6P356 S360P356-E358 PolarHBondContact O-N 2.91Å; P356-E358 VanDerWaalsContact O-N 3.11Å; E358-S360 VanDerWaalsContact C-N 3.33Å; E358-S360 PolarHBondContact O-N 2.76Å
359E45.2Very low57Low66 Ų6695.3 Ų95.331%0.30851%0.508SS..G310 helixtrans-77.4-17.9177-70.9-168.815300113.6H30 L357 I361H30-E359 IonicContact CE1-OE1 2.85Å; H30-E359 IonicContact CE1-OE2 2.64Å; H30-E359 PolarHBondContact CE1-OE2 3.04Å; L357-E359 PolarHBondContact O-N 3.49Å; E359-I361 VanDerWaalsContact C-N 3.31Å; E359-I361 PolarHBondContact O-N 2.81Å
360S35.8Very low54.4Low72 Ų72101 Ų10150%0.50355%0.546SS..G310 helixtrans-75.8-16.7-177.766.50000113.9L357 E358L357-S360 PolarHBondContact O-N 2.91Å; L357-S360 PolarHBondContact O-OG 2.86Å; E358-S360 VanDerWaalsContact C-N 3.33Å; E358-S360 PolarHBondContact O-N 2.76Å
361I35.8Very low51.5Low137 Ų137106.9 Ų106.970%0.70358%0.575SS**G310 helixtrans-80.1-15.8-179.8-67.4-77000112.4E359E359-I361 VanDerWaalsContact C-N 3.31Å; E359-I361 PolarHBondContact O-N 2.81Å
362Y42.3Very low48.9Very low202 Ų202113.9 Ų113.979%0.79261%0.613SS**SBendtrans-108.9-2-174.9-67.7-78.9000115.2
363R33.8Very low46.3Very low155 Ų155119.4 Ų119.459%0.58565%0.647SS**SBendtrans-100.5-11.9-178.5-74.5-171.7-171.61755.3115.4A365R363-A365 PolarHBondContact O-N 3.39Å
364D33.2Very low44.3Very low155 Ų155124.5 Ų124.583%0.82968%0.675SS**  trans-97.348.5-178.9-78.1-13.8000113
365A29.8Very low42.3Very low82 Ų82129.2 Ų129.268%0.67870%0.696SS**  trans-121.4113.2162.300000108.7R363R363-A365 PolarHBondContact O-N 3.39Å
366P36.4Very low40.4Very low126 Ų126132.8 Ų132.882%0.81872%0.716SS**  trans-69.6134.9172.427.4-30.1000110.1E368P366-E368 PolarHBondContact O-N 2.85Å; P366-E368 VanDerWaalsContact O-N 3.12Å
367D42.8Very low38.8Very low166 Ų166139 Ų13989%0.88874%0.74SS**  trans-53.9105.5171.1-85.3-41.7000111.6
368E33.4Very low37.7Very low189 Ų189139.2 Ų139.288%0.88374%0.735SS**  trans-146.3119.8154.2-76-161.5157.800113P366P366-E368 PolarHBondContact O-N 2.85Å; P366-E368 VanDerWaalsContact O-N 3.12Å
369A31.5Very low36.9Very low90 Ų90138.1 Ų138.174%0.74473%0.734SS**  trans71.7142.215500000121.5
370P39.1Very low36.5Very low129 Ų129139.1 Ų139.184%0.83875%0.745SS**  trans-83.5119.4178.633.6-28.9000110
371I33Very low36.8Very low144 Ų144141.8 Ų141.874%0.73875%0.754SS**  trans-108.2106.7168.5-59.7176.2000107.8T373I371-T373 HydrophobicContact CG2-CG2 4.23Å; I371-T373 PolarHBondContact O-N 2.86Å
372D37.7Very low37.4Very low149 Ų149138.7 Ų138.780%0.79774%0.739SS**  trans-73.2102.7166.3-1689.1000108.6
373T35.5Very low38Very low115 Ų115135.3 Ų135.371%0.70673%0.734SS**  trans-145.5100.1162.445.50000109.7I371I371-T373 HydrophobicContact CG2-CG2 4.23Å; I371-T373 PolarHBondContact O-N 2.86Å
374N43.7Very low40Very low140 Ų140132.7 Ų132.775%0.74973%0.732SS**  trans-46.5147.5152.7-79.1-61.9000111
375L41.3Very low42.3Very low163 Ų163126.1 Ų126.185%0.85370%0.696SS**  trans9482178.4-59.6144.5000115.1
376I35.9Very low44.9Very low133 Ų133124.7 Ų124.768%0.68268%0.677SS**  -157108.2104.6-68.8124.3000106.4F378I376-F378 VanDerWaalsContact C-N 3.33Å; I376-F378 HydrophobicContact CB-CD2 4.05Å; I376-F378 HydrophobicContact CB-CE2 4.08Å; I376-F378 HydrophobicContact CG2-CD2 3.3Å; I376-F378 HydrophobicContact CG2-CE2 3.4Å; I376-F378 HydrophobicContact CG2-CG 3.97Å; I376-F378 HydrophobicContact CG2-CZ 4.12Å; I376-F378 PolarHBondContact O-N 3.33Å
377E37.3Very low47.4Very low190 Ų190121.7 Ų121.789%0.88865%0.651SS**  trans-62.798.1157.1-81.8175.3152.700107.2D379E377-D379 PolarHBondContact O-N 2.66Å
378F34.6Very low49.6Very low158 Ų158116.6 Ų116.669%0.69362%0.622SS**  trans-77.474.1162.1-90.8-81.3000108.1I376 T380I376-F378 VanDerWaalsContact C-N 3.33Å; I376-F378 HydrophobicContact CB-CD2 4.05Å; I376-F378 HydrophobicContact CB-CE2 4.08Å; I376-F378 HydrophobicContact CG2-CD2 3.3Å; I376-F378 HydrophobicContact CG2-CE2 3.4Å; I376-F378 HydrophobicContact CG2-CG 3.97Å; I376-F378 HydrophobicContact CG2-CZ 4.12Å; I376-F378 PolarHBondContact O-N 3.33Å; F378-T380 HydrophobicContact CD1-CG2 3.83Å; F378-T380 PolarHBondContact O-N 3.24Å
379D36.5Very low52.2Low139 Ų139112.3 Ų112.374%0.74361%0.605SS**  trans-72.360.8164-152.615.1000108.6E377E377-D379 PolarHBondContact O-N 2.66Å
380T37.5Very low54.8Low88 Ų88108.7 Ų108.754%0.5457%0.573SS.*  trans-11899.5-176.654.50000110.8F378F378-T380 HydrophobicContact CD1-CG2 3.83Å; F378-T380 PolarHBondContact O-N 3.24Å
381N42.3Very low56.8Low127 Ų127105.4 Ų105.468%0.67956%0.556SS**  trans72.366.7164.4-60.4-5.1000116.8
382D47.1Very low59Low73 Ų7399.7 Ų99.739%0.3953%0.525SS..  trans-88.43.8-178.2-119.113.5000115.5R103 K106R103-D382 IonicContact CZ-OD1 2.95Å; R103-D382 IonicContact NE-OD1 2.74Å; R103-D382 IonicContact NH2-OD1 3.8Å; R103-D382 PolarHBondContact NH2-OD1 3.15Å; K106-D382 IonicContact NZ-OD2 3.6Å
383D56.3Low60.9Low131 Ų13199.4 Ų99.470%0.70152%0.519SS*.  trans-114.8-14.1-168.4-76.1-39.6000118K107 I385K107-D383 PolarHBondContact NZ-O 3.31Å; D383-I385 PolarHBondContact O-N 3.16Å
384D75.1Confident62.8Low99 Ų99100.2 Ų100.253%0.52951%0.509SS..  trans-86.252.7-172.6-66-20.1000112.9G5 T6 I386G5-D384 CarbonylContact C-O 3.33Å; G5-D384 WeakPolarHBondContact CA-O 3.4Å; T6-D384 PolarHBondContact N-O 3.46Å; D384-I386 PolarHBondContact O-N 3.39Å
385I80.9Confident63.9Low17 Ų1795.1 Ų95.19%0.08748%0.482CS..EExtended strand (participates in β ladder)trans-77.9115.2160.9-65170.6000108.2T6 V8 R103 L104 K107 D383 F387T6-I385 WeakPolarHBondContact O-CA 3.4Å; V8-I385 HydrophobicContact CB-CG2 4.08Å; V8-I385 HydrophobicContact CG2-CG2 3.74Å; R103-I385 HydrophobicContact CB-CD1 4.04Å; L104-I385 HydrophobicContact CD2-CD1 4.27Å; L104-I385 HydrophobicContact CD2-CG2 4.43Å; K107-I385 HydrophobicContact CD-CB 3.88Å; K107-I385 HydrophobicContact CD-CD1 3.93Å; K107-I385 HydrophobicContact CD-CG1 4.39Å; K107-I385 HydrophobicContact CD-CG2 4.37Å; K107-I385 PolarHBondContact NZ-O 2.83Å; D383-I385 PolarHBondContact O-N 3.16Å; I385-F387 HydrophobicContact CG2-CD1 4.04Å; I385-F387 HydrophobicContact CG2-CE1 3.66Å; I385-F387 HydrophobicContact CG2-CZ 3.97Å
386I85.1Confident64.4Low53 Ų5396 Ų9627%0.27249%0.486SS..EExtended strand (participates in β ladder)trans-99.5116.8176.5-57.3173.2000107.8T6 V8 D384 E388T6-I386 PolarHBondContact O-N 3Å; T6-I386 VanDerWaalsContact O-N 3.16Å; V8-I386 PolarHBondContact N-O 2.86Å; D384-I386 PolarHBondContact O-N 3.39Å; I386-E388 HydrophobicContact CG2-CG 4.44Å
387F88.8Confident65Low63 Ų6393.3 Ų93.328%0.27649%0.49SS..EExtended strand (participates in β ladder)trans-84.8122.1176.5-64.4-58000110.7V8 K10 Y21 L104 K107 L108 I385V8-F387 HydrophobicContact CB-CD1 4.08Å; V8-F387 HydrophobicContact CB-CE1 4.31Å; V8-F387 HydrophobicContact CG1-CD1 4.23Å; V8-F387 HydrophobicContact CG1-CE1 4.27Å; V8-F387 WeakPolarHBondContact O-CA 3.47Å; K10-F387 HydrophobicContact CD-CB 4.11Å; K10-F387 HydrophobicContact CD-CG 4.42Å; Y21-F387 AromaticContact CD1-CD1 3.82Å; Y21-F387 HydrophobicContact CD1-CD1 3.82Å; Y21-F387 AromaticContact CD1-CE1 3.59Å; Y21-F387 HydrophobicContact CD1-CE1 3.59Å; Y21-F387 HydrophobicContact CD1-CZ 4.47Å; Y21-F387 AromaticContact CE1-CD1 3.72Å; Y21-F387 HydrophobicContact CE1-CD1 3.72Å; Y21-F387 AromaticContact CE1-CE1 3.53Å; Y21-F387 HydrophobicContact CE1-CE1 3.53Å; Y21-F387 HydrophobicContact CE1-CG 4.4Å; Y21-F387 HydrophobicContact CE1-CZ 4.08Å; L104-F387 HydrophobicContact CD2-CE1 3.81Å; L104-F387 HydrophobicContact CD2-CZ 4.31Å; K107-F387 HydrophobicContact CD-CE2 4.18Å; K107-F387 HydrophobicContact CD-CZ 4.03Å; K107-F387 HydrophobicContact CG-CZ 4.42Å; L108-F387 HydrophobicContact CD2-CZ 3.93Å; I385-F387 HydrophobicContact CG2-CD1 4.04Å; I385-F387 HydrophobicContact CG2-CE1 3.66Å; I385-F387 HydrophobicContact CG2-CZ 3.97Å
388E88.9Confident65.4Low59 Ų5986.5 Ų86.528%0.27647%0.467SS..EExtended strand (participates in β ladder)trans-113.8153.4173.9-66.4-176.9-177.800109.8R7 V8 F9 K10 I386R7-E388 WeakPolarHBondContact CD-OE1 3.35Å; R7-E388 IonicContact CZ-OE1 3Å; R7-E388 IonicContact NE-OE1 3.36Å; R7-E388 PolarHBondContact NE-OE1 3.42Å; R7-E388 IonicContact NH1-OE1 2.99Å; V8-E388 PolarHBondContact O-N 2.66Å; F9-E388 CarbonylContact C-O 3.53Å; F9-E388 VanDerWaalsContact CA-O 3.3Å; F9-E388 WeakPolarHBondContact CA-O 3.45Å; F9-E388 HydrophobicContact CD1-CB 3.94Å; F9-E388 HydrophobicContact CE1-CB 4.11Å; F9-E388 WeakPolarHBondContact CE1-OE2 3.31Å; K10-E388 PolarHBondContact N-O 3.04Å; I386-E388 HydrophobicContact CG2-CG 4.44Å
389D87.4Confident65.8Low99 Ų9988.6 Ų88.653%0.52948%0.476SS..EExtended strand (participates in β ladder)trans-64148.5170.5-172.97.9000109.5F9 R25 A391F9-D389 WeakPolarHBondContact CD1-O 2.8Å; R25-D389 PolarHBondContact NH2-O 3.01Å; D389-A391 PolarHBondContact O-N 2.79Å; D389-A391 PolarHBondContact OD1-N 2.82Å; D389-A391 WeakPolarHBondContact OD2-CB 3.45Å
390F86.4Confident65.9Low14 Ų1488.6 Ų88.66%0.06148%0.476CS..SBendtrans-71.3-18.8175.2-170.2-91.5000112.9F9 K10 K11 L22 R25 L166 V167 I168 R392F9-F390 HydrophobicContact CB-CB 4.32Å; F9-F390 HydrophobicContact CB-CD2 3.74Å; F9-F390 HydrophobicContact CB-CG 4.48Å; F9-F390 HydrophobicContact CG-CD2 4.49Å; K10-F390 PolarHBondContact O-N 2.86Å; K11-F390 HydrophobicContact CB-CB 4.11Å; L22-F390 HydrophobicContact CD1-CD2 4.44Å; L22-F390 HydrophobicContact CD1-CE2 3.84Å; R25-F390 HydrophobicContact CB-CE2 4.17Å; R25-F390 HydrophobicContact CB-CZ 4.25Å; R25-F390 HydrophobicContact CG-CD2 4.09Å; R25-F390 HydrophobicContact CG-CE2 3.69Å; R25-F390 HydrophobicContact CG-CZ 4.11Å; R25-F390 PolarHBondContact NE-O 3.27Å; R25-F390 VanDerWaalsContact NE-O 3.09Å; R25-F390 PolarHBondContact NH2-O 3.36Å; L166-F390 HydrophobicContact CB-CD1 3.98Å; L166-F390 HydrophobicContact CB-CD2 4.4Å; L166-F390 HydrophobicContact CB-CE1 3.72Å; L166-F390 HydrophobicContact CB-CE2 4.15Å; L166-F390 HydrophobicContact CB-CG 4.34Å; L166-F390 HydrophobicContact CB-CZ 3.81Å; L166-F390 HydrophobicContact CD2-CB 3.95Å; L166-F390 HydrophobicContact CD2-CD1 4.03Å; L166-F390 HydrophobicContact CD2-CD2 3.5Å; L166-F390 VanDerWaalsContact CD2-CD2 3.5Å; L166-F390 HydrophobicContact CD2-CE1 4.45Å; L166-F390 HydrophobicContact CD2-CE2 3.96Å; L166-F390 HydrophobicContact CD2-CG 3.55Å; L166-F390 HydrophobicContact CD2-CZ 4.42Å; L166-F390 HydrophobicContact CG-CD1 4.34Å; L166-F390 HydrophobicContact CG-CG 4.34Å; V167-F390 WeakPolarHBondContact O-CE1 3.36Å; V167-F390 WeakPolarHBondContact O-CZ 3.49Å; I168-F390 HydrophobicContact CG2-CE2 4.32Å; I168-F390 HydrophobicContact CG2-CZ 3.92Å; F390-R392 PolarHBondContact O-N 3.5Å
391A81.3Confident66Low60 Ų6092.2 Ų92.250%0.49649%0.486SS..PPolyproline II helixtrans-55.7128.1177.500000111.7R25 D389R25-A391 PolarHBondContact NH2-O 3.4Å; D389-A391 PolarHBondContact O-N 2.79Å; D389-A391 PolarHBondContact OD1-N 2.82Å; D389-A391 WeakPolarHBondContact OD2-CB 3.45Å
392R80.5Confident65.6Low23 Ų2394.2 Ų94.29%0.08749%0.489CS..PPolyproline II helixtrans-74144.4175.6-68-178.5-169.3-97.93.3110.1R25 D26 H295 D297 F390 R394R25-R392 PolarHBondContact O-NH2 3.19Å; D26-R392 IonicContact OD1-CZ 3.71Å; D26-R392 VanDerWaalsContact OD1-CZ 3.27Å; D26-R392 IonicContact OD1-NH1 3.91Å; D26-R392 PolarHBondContact OD1-NH1 2.64Å; D26-R392 IonicContact OD1-NH2 3.5Å; D26-R392 PolarHBondContact OD1-NH2 2.66Å; D26-R392 IonicContact OD2-NH1 3.75Å; D26-R392 PolarHBondContact OD2-NH1 3Å; H295-R392 HydrophobicContact CB-CB 4.23Å; H295-R392 WeakPolarHBondContact ND1-CD 3.49Å; D297-R392 WeakPolarHBondContact OD2-CD 3.35Å; D297-R392 IonicContact OD2-CZ 2.77Å; D297-R392 IonicContact OD2-NE 3.31Å; D297-R392 IonicContact OD2-NH1 3.72Å; D297-R392 PolarHBondContact OD2-NH1 3.08Å; F390-R392 PolarHBondContact O-N 3.5Å; R392-R394 PolarHBondContact O-N 2.78Å
393Q77.4Confident65.1Low143 Ų14395.6 Ų95.667%0.66849%0.493SS*.PPolyproline II helixtrans-61.5129.2176.3-72.4178.9-16.700109.4H295 E296H295-Q393 WeakPolarHBondContact CA-O 3.24Å; E296-Q393 PolarHBondContact N-O 3.05Å; E296-Q393 VanDerWaalsContact N-O 3.1Å
394R75.5Confident64.3Low132 Ų13296.1 Ų96.150%0.49849%0.491SS..BIsolated β-bridgetrans-86.4141.9179.7-65.1-175.9-178.8-172.81109.2K294 R392 E403K294-R394 WeakPolarHBondContact O-CA 3.39Å; R392-R394 PolarHBondContact O-N 2.78Å; R394-E403 IonicContact NH2-OE1 3.38Å; R394-E403 IonicContact NH2-OE2 3.54Å; R394-E403 PolarHBondContact NH2-OE2 3.27Å
395L65.7Low62.6Low33 Ų3396.9 Ų96.917%0.17350%0.495CS..PPolyproline II helixtrans-65134171.4-76.6161.5000110.6L293 K294 E296 G397 A398L293-L395 VanDerWaalsContact O-CD1 3.31Å; L293-L395 WeakPolarHBondContact O-CD1 3.46Å; K294-L395 PolarHBondContact O-N 2.86Å; E296-L395 HydrophobicContact CB-CD2 4.05Å; E296-L395 HydrophobicContact CB-CG 4.22Å; E296-L395 HydrophobicContact CG-CD2 4.06Å; L395-G397 PolarHBondContact O-N 2.67Å; L395-A398 PolarHBondContact O-N 3.31Å
396I52.6Low60.5Low183 Ų183104.5 Ų104.594%0.93853%0.531SS*.THydrogen-bonded Turntrans-60.8119.6174.6-57.5170.3000108.5
397G47.5Very low58Low75 Ų75109.9 Ų109.977%0.77356%0.555SS**THydrogen-bonded Turntrans90.97176.300000116.6L395 K399L395-G397 PolarHBondContact O-N 2.67Å; G397-K399 PolarHBondContact O-N 3.05Å
398A45.8Very low55.1Low47 Ų47112.7 Ų112.739%0.38858%0.579SS.*  trans-66.4124167.600000109.7K294 L395 D400K294-A398 HydrophobicContact CB-CB 4.44Å; L395-A398 PolarHBondContact O-N 3.31Å; A398-D400 PolarHBondContact O-N 2.87Å
399K43.9Very low52.5Low203 Ų203118 Ų11888%0.88361%0.609SS**  trans-58.5135.8176.5-82.2-179176.6175.80110G397 E401G397-K399 PolarHBondContact O-N 3.05Å; K399-E401 PolarHBondContact O-N 2.86Å
400D37Very low49.8Very low139 Ų139120.9 Ų120.974%0.74362%0.624SS**  trans-63.693.3174.6-68.7-46.9000110.3A398 K402A398-D400 PolarHBondContact O-N 2.87Å; D400-K402 PolarHBondContact O-N 3.32Å
401E41.1Very low47.3Very low163 Ų163124.4 Ų124.476%0.76265%0.65SS**  trans-71.2108.5145.8-74.4-179.4-176.800105.5K399 E403K399-E401 PolarHBondContact O-N 2.86Å; E401-E403 PolarHBondContact O-N 2.99Å; E401-E403 VanDerWaalsContact O-N 3.07Å
402K32.9Very low45.2Very low169 Ų169127.4 Ų127.474%0.73567%0.665SS**  trans-42.5120176.7-69.1180177.8179.70108.9D400 E404D400-K402 PolarHBondContact O-N 3.32Å; K402-E404 HydrophobicContact CB-CG 4.08Å; K402-E404 PolarHBondContact O-N 3.29Å
403E36.9Very low43.1Very low103 Ų103135.3 Ų135.348%0.48170%0.7SS.*  trans-66.491.9154.2-82.6176.3169.600106K294 R394 E401 D405 E406K294-E403 IonicContact NZ-OE1 2.76Å; K294-E403 PolarHBondContact NZ-OE1 3.43Å; R394-E403 IonicContact NH2-OE1 3.38Å; R394-E403 IonicContact NH2-OE2 3.54Å; R394-E403 PolarHBondContact NH2-OE2 3.27Å; E401-E403 PolarHBondContact O-N 2.99Å; E401-E403 VanDerWaalsContact O-N 3.07Å; E403-D405 PolarHBondContact O-N 3.01Å; E403-E406 PolarHBondContact O-N 3.48Å
404E38.7Very low41.3Very low141 Ų141133.7 Ų133.766%0.65970%0.702SS**THydrogen-bonded Turntrans-71.841.9164-68.8-171.4170.600111K402K402-E404 HydrophobicContact CB-CG 4.08Å; K402-E404 PolarHBondContact O-N 3.29Å
405D40.2Very low39.6Very low115 Ų115135.3 Ų135.362%0.61572%0.72SS**THydrogen-bonded Turntrans-92.3-4.9155.4-81.4-34.6000111E403E403-D405 PolarHBondContact O-N 3.01Å
406E36.9Very low38.5Very low177 Ų177141.4 Ų141.483%0.82775%0.753SS**  trans-116.282.7166.8-66.6-168.9174.500110.6E403E403-E406 PolarHBondContact O-N 3.48Å
407E32.3Very low37.8Very low167 Ų167147.9 Ų147.978%0.7877%0.766SS**  trans-67.8138.3152.4-79.8-167.8158.700108.4L409E407-L409 PolarHBondContact O-N 2.77Å
408P28.7Very low37.3Very low121 Ų121151.5 Ų151.579%0.78677%0.765SS**  trans-61.5132.3-178.825.2-31.4000109.8D410P408-D410 PolarHBondContact O-N 2.86Å
409L33.7Very low36.8Very low171 Ų171157 Ų15790%0.89579%0.785SS**  trans-48.7110.8167.4-79.6145.3000109E407 S411E407-L409 PolarHBondContact O-N 2.77Å; L409-S411 VanDerWaalsContact C-N 3.27Å; L409-S411 PolarHBondContact O-N 3.29Å
410D31.4Very low36.5Very low160 Ų160154.4 Ų154.486%0.85678%0.78SS**  trans-67.494.9165.5-15917.3000106.9P408P408-D410 PolarHBondContact O-N 2.86Å
411S34.5Very low36.4Very low87 Ų87155.4 Ų155.461%0.60878%0.782SS**PPolyproline II helixtrans-61.7131.5170.739.40000108.6L409 K413L409-S411 VanDerWaalsContact C-N 3.27Å; L409-S411 PolarHBondContact O-N 3.29Å; S411-K413 PolarHBondContact O-N 3.45Å; S411-K413 VanDerWaalsContact O-N 3.13Å
412P35.7Very low36.1Very low124 Ų124154.9 Ų154.981%0.80578%0.783SS**PPolyproline II helixtrans-61.7122.3176.1-515.2000108.6
413K37.7Very low36.4Very low188 Ų188153.9 Ų153.982%0.81779%0.786SS**PPolyproline II helixtrans-57.5130.3164.8-71.7178.2-179.7173.10107.8S411 D415S411-K413 PolarHBondContact O-N 3.45Å; S411-K413 VanDerWaalsContact O-N 3.13Å; K413-D415 PolarHBondContact O-N 3.23Å
414P38.5Very low36.3Very low110 Ų110157.6 Ų157.671%0.71481%0.808SS**PPolyproline II helixtrans-65.4128.6167.127.5-30000107.9D416P414-D416 PolarHBondContact O-N 2.83Å; P414-D416 VanDerWaalsContact O-N 3.14Å
415D40.3Very low36.1Very low165 Ų165158.8 Ų158.888%0.88282%0.819SS**  trans-59.5111166.1-78.7-37.2000108.4K413K413-D415 PolarHBondContact O-N 3.23Å
416D42.7Very low35.8Very low161 Ų161162.5 Ų162.586%0.86184%0.836SS**  trans-79.4123.2163.4-90.4-24.2000108.8P414P414-D416 PolarHBondContact O-N 2.83Å; P414-D416 VanDerWaalsContact O-N 3.14Å
417R37.1Very low35.7Very low319 Ų319161.2 Ų161.2100%1.20484%0.837SS**  trans-70.20165.9-90.3-178.3169.3176.8-2.4112

Retrieved 417 of 417 residues in 155.9 ms (Link to these results)

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