A0A087XER0_POEFO Loading...

Ribosome biogenesis protein WDR12

Component of the PeBoW complex, which is required for maturation of 28S and 5.8S ribosomal RNAs and formation of the 60S ribosome.

AlphaFold DB , UniProt , Accession A0A087XER0, Species POEFO (Poecilia formosa, Amazon molly), Gene WDR12, Length 423 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
1M57Low80.9Confident219 Ų21978.6 Ų78.6100%1.07939%0.385SS*.  0118.90-77.1-179.1-107.800106.3Q3M1-Q3 PolarHBondContact O-N 3.37Å
2S76.2Confident80.5Confident89 Ų8977.9 Ų77.962%0.62238%0.384SS*.  trans-60.7126.9173.337.50000108.3A26S2-A26 WeakPolarHBondContact O-CB 3.2Å; S2-A26 PolarHBondContact O-N 3.49Å; S2-A26 WeakPolarHBondContact OG-CB 3.34Å
3Q81.9Confident80.1Confident133 Ų13385.6 Ų85.662%0.62142%0.419SS*.EExtended strand (participates in β ladder)trans-110.5142.9173.9-70.6-175.3-1400107.8M1 I24M1-Q3 PolarHBondContact O-N 3.37Å; Q3-I24 CarbonylContact C-O 3.57Å; Q3-I24 WeakPolarHBondContact CA-O 3.34Å
4L82.7Confident79.6Confident5 Ų588.8 Ų88.83%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-117.1142.8178-110.1136.7000108.9S23 I24 A26 M70 T77 V81L4-S23 CarbonylContact O-C 3.58Å; L4-S23 WeakPolarHBondContact O-CA 3.46Å; L4-I24 HydrophobicContact CB-CG1 4.32Å; L4-I24 PolarHBondContact N-O 2.93Å; L4-I24 WeakPolarHBondContact O-CG1 3.29Å; L4-I24 PolarHBondContact O-N 2.76Å; L4-A26 HydrophobicContact CD1-CB 3.92Å; L4-M70 HydrophobicContact CD1-CE 4.21Å; L4-M70 HydrophobicContact CD1-SD 3.34Å; L4-M70 WeakPolarHBondContact CD1-SD 3.38Å; L4-M70 HydrophobicContact CD2-CE 3.77Å; L4-M70 HydrophobicContact CD2-SD 3.49Å; L4-M70 WeakPolarHBondContact CD2-SD 3.42Å; L4-M70 HydrophobicContact CG-SD 4.02Å; L4-T77 HydrophobicContact CD1-CG2 4.44Å; L4-V81 HydrophobicContact CD2-CG2 3.66Å
5Q86.1Confident79.4Confident98 Ų9884.9 Ų84.946%0.45840%0.404SS..EExtended strand (participates in β ladder)trans-86.1120.7170.2-67.9-169.8-5.600108.3F22 V80 V81Q5-F22 CarbonylContact C-O 3.57Å; Q5-F22 WeakPolarHBondContact CA-O 3.43Å; Q5-V80 HydrophobicContact CB-CG2 4.07Å; Q5-V80 WeakPolarHBondContact O-CA 3.32Å; Q5-V81 PolarHBondContact O-N 3.06Å
6A85.4Confident79.4Confident0 Ų083.6 Ų83.60%040%0.403CS..EExtended strand (participates in β ladder)trans-124144.6177.600000111.1F8 F22 I24 V81 I83A6-F8 HydrophobicContact CB-CZ 4.48Å; A6-F22 PolarHBondContact N-O 2.96Å; A6-F22 PolarHBondContact O-N 3.23Å; A6-I24 HydrophobicContact CB-CD1 3.4Å; A6-I24 VanDerWaalsContact CB-CD1 3.4Å; A6-I24 HydrophobicContact CB-CG1 3.85Å; A6-V81 CarbonylContact C-O 3.6Å; A6-V81 WeakPolarHBondContact CA-O 3.44Å; A6-I83 HydrophobicContact CB-CD1 3.71Å; A6-I83 HydrophobicContact CB-CG1 4.21Å
7R87.8Confident79.5Confident88 Ų8879.6 Ų79.633%0.33238%0.384SS..EExtended strand (participates in β ladder)trans-115.8121.1176-177.7-179.2-167.1175.22.3107.7D19 V80 V81 E82 I83R7-D19 WeakPolarHBondContact CG-OD1 3.46Å; R7-D19 IonicContact CZ-OD1 3.14Å; R7-D19 IonicContact CZ-OD2 3.71Å; R7-D19 IonicContact NE-OD1 3.47Å; R7-D19 PolarHBondContact NE-OD1 3.39Å; R7-D19 IonicContact NE-OD2 2.75Å; R7-D19 IonicContact NH2-OD1 3.68Å; R7-D19 PolarHBondContact NH2-OD1 2.69Å; R7-D19 IonicContact NH2-OD2 3.83Å; R7-D19 PolarHBondContact NH2-OD2 2.97Å; R7-V80 HydrophobicContact CB-CG1 3.94Å; R7-V81 PolarHBondContact N-O 2.83Å; R7-E82 IonicContact NH1-OE1 2.79Å; R7-E82 WeakPolarHBondContact O-CA 3.2Å; R7-I83 PolarHBondContact O-N 3.34Å
8F86.7Confident79.4Confident5 Ų580.7 Ų80.72%0.02239%0.393CS..EExtended strand (participates in β ladder)trans-95.1129.4-178.7-64.4-74.6000109.9A6 F22 I24 L33 I37 F55 I83 Y85A6-F8 HydrophobicContact CB-CZ 4.48Å; F8-F22 HydrophobicContact CD2-CD2 4.08Å; F8-F22 HydrophobicContact CE2-CB 4.33Å; F8-F22 HydrophobicContact CE2-CD2 4.4Å; F8-I24 HydrophobicContact CE2-CG2 4.46Å; F8-I24 HydrophobicContact CZ-CG2 4.29Å; F8-L33 HydrophobicContact CE1-CD2 4.35Å; F8-L33 HydrophobicContact CZ-CD2 4.04Å; F8-I37 HydrophobicContact CB-CD1 3.92Å; F8-I37 HydrophobicContact CD1-CD1 3.84Å; F8-I37 HydrophobicContact CD2-CD1 3.98Å; F8-I37 HydrophobicContact CE1-CD1 4.33Å; F8-I37 HydrophobicContact CE2-CD1 4.46Å; F8-I37 HydrophobicContact CG-CD1 3.65Å; F8-F55 HydrophobicContact CD1-CE1 4.3Å; F8-F55 HydrophobicContact CE1-CD1 4.3Å; F8-F55 HydrophobicContact CE1-CE1 4.07Å; F8-I83 WeakPolarHBondContact CA-O 3Å; F8-I83 HydrophobicContact CD1-CB 4.02Å; F8-I83 HydrophobicContact CD1-CG2 4.27Å; F8-I83 HydrophobicContact CE1-CB 4.17Å; F8-I83 HydrophobicContact CE1-CD1 4.12Å; F8-I83 HydrophobicContact CE1-CG2 4.25Å; F8-Y85 HydrophobicContact CB-CD1 3.93Å; F8-Y85 HydrophobicContact CB-CE1 3.72Å; F8-Y85 HydrophobicContact CD1-CD1 4.34Å
9F85.6Confident79.2Confident81 Ų8181.2 Ų81.236%0.35540%0.397SS..EExtended strand (participates in β ladder)trans-134.8155.2171.772.8-85.4000110.3E82 I83 E84 Y85F9-E82 HydrophobicContact CD1-CB 4.27Å; F9-E82 HydrophobicContact CE1-CB 3.88Å; F9-I83 PolarHBondContact N-O 3.33Å; F9-I83 VanDerWaalsContact N-O 3.07Å; F9-E84 HydrophobicContact CD2-CB 4.4Å; F9-E84 HydrophobicContact CD2-CG 4.22Å; F9-E84 HydrophobicContact CE1-CB 3.95Å; F9-E84 HydrophobicContact CE2-CB 3.75Å; F9-E84 HydrophobicContact CE2-CG 3.67Å; F9-E84 HydrophobicContact CZ-CB 3.5Å; F9-E84 VanDerWaalsContact CZ-CB 3.5Å; F9-E84 HydrophobicContact CZ-CG 3.97Å; F9-E84 CarbonylContact O-C 3.55Å; F9-E84 VanDerWaalsContact O-CA 3.26Å; F9-E84 WeakPolarHBondContact O-CA 3.27Å; F9-Y85 VanDerWaalsContact C-CE1 3.48Å; F9-Y85 WeakPolarHBondContact O-CD1 3.36Å; F9-Y85 WeakPolarHBondContact O-CE1 3.4Å; F9-Y85 PolarHBondContact O-N 3.47Å
10T83.4Confident79.3Confident23 Ų2380.9 Ų80.914%0.14140%0.4CS..  trans-143.9149.1175.9-171.30000109.2D12 V16 Y85T10-D12 VanDerWaalsContact C-N 3.32Å; T10-D12 WeakPolarHBondContact CG2-O 3.4Å; T10-D12 PolarHBondContact OG1-N 3.48Å; T10-V16 HydrophobicContact CG2-CG2 4.24Å; T10-Y85 WeakPolarHBondContact CB-O 3.31Å; T10-Y85 HydrophobicContact CG2-CE1 4.2Å; T10-Y85 HydrophobicContact CG2-CE2 3.72Å; T10-Y85 VanDerWaalsContact CG2-CZ 3.49Å; T10-Y85 VanDerWaalsContact CG2-OH 3.29Å; T10-Y85 WeakPolarHBondContact CG2-OH 3.47Å; T10-Y85 PolarHBondContact OG1-O 2.84Å
11E77.4Confident79.6Confident124 Ų12480.5 Ų80.558%0.57940%0.403SS*.SBendtrans-80.1-21.3170.3-62.1-176.6150.800111.3Q13 R373E11-Q13 PolarHBondContact O-N 3.04Å; E11-R373 IonicContact OE2-CZ 3.45Å; E11-R373 IonicContact OE2-NH1 3.27Å; E11-R373 PolarHBondContact OE2-NH1 2.93Å; E11-R373 IonicContact OE2-NH2 2.66Å; E11-R373 PolarHBondContact OE2-NH2 2.7Å
12D75.4Confident80.8Confident70 Ų7073 Ų7337%0.37437%0.365SS..  trans-76.2106.6-178.7-75.7-34.1000111.3T10 R14 Y15T10-D12 VanDerWaalsContact C-N 3.32Å; T10-D12 WeakPolarHBondContact CG2-O 3.4Å; T10-D12 PolarHBondContact OG1-N 3.48Å; D12-R14 PolarHBondContact O-N 2.97Å; D12-Y15 HydrophobicContact CB-CD2 3.98Å; D12-Y15 PolarHBondContact O-N 3.33Å
13Q75.4Confident81.3Confident178 Ų17872.4 Ų72.483%0.83236%0.361SS*.G310 helixtrans-56.4-22.5-179.4-68.6-171.32.400114.1E11 Y15E11-Q13 PolarHBondContact O-N 3.04Å; Q13-Y15 VanDerWaalsContact C-N 3.33Å
14R72.8Confident81.5Confident130 Ų13066.3 Ų66.349%0.49133%0.332SS..G310 helixtrans-71.5-27179.6-61.5178.2-170.1-160-5.8113.2D12 D420D12-R14 PolarHBondContact O-N 2.97Å; R14-D420 PolarHBondContact NH1-O 2.67Å; R14-D420 PolarHBondContact NH2-O 2.71Å
15Y77.1Confident81.6Confident31 Ų3168.8 Ų68.812%0.12235%0.349CS..G310 helixtrans-116.822.9-171.2-55.2-55.2000112D12 Q13 V17 L41 H48 V51 F53 Y85D12-Y15 HydrophobicContact CB-CD2 3.98Å; D12-Y15 PolarHBondContact O-N 3.33Å; Q13-Y15 VanDerWaalsContact C-N 3.33Å; Y15-V17 PolarHBondContact O-N 3.47Å; Y15-V17 VanDerWaalsContact O-N 3.15Å; Y15-L41 HydrophobicContact CD1-CD1 3.98Å; Y15-L41 HydrophobicContact CG-CD1 4.48Å; Y15-H48 AromaticContact CD1-CE1 3.69Å; Y15-H48 AromaticContact CE1-CE1 3.55Å; Y15-V51 HydrophobicContact CE1-CG2 4.18Å; Y15-F53 HydrophobicContact CD1-CE1 4.33Å; Y15-F53 AromaticContact CD1-CZ 3.95Å; Y15-F53 HydrophobicContact CD1-CZ 3.95Å; Y15-F53 AromaticContact CD2-CE1 3.78Å; Y15-F53 HydrophobicContact CD2-CE1 3.78Å; Y15-F53 HydrophobicContact CD2-CZ 4.24Å; Y15-F53 HydrophobicContact CE1-CZ 4.36Å; Y15-F53 HydrophobicContact CE2-CE1 4.21Å; Y15-F53 AromaticContact CG-CE1 3.83Å; Y15-F53 HydrophobicContact CG-CE1 3.83Å; Y15-F53 AromaticContact CG-CZ 3.88Å; Y15-F53 HydrophobicContact CG-CZ 3.88Å; Y15-Y85 WeakPolarHBondContact O-CE2 3.27Å; Y15-Y85 PolarHBondContact O-OH 3.44Å
16V80Confident81.3Confident64 Ų6464.3 Ų64.339%0.38833%0.328SS..  trans-68.6112.1-175.61770000111.6T10 K44T10-V16 HydrophobicContact CG2-CG2 4.24Å; V16-K44 PolarHBondContact O-NZ 3.42Å
17V80.1Confident81.3Confident15 Ų1567.2 Ų67.29%0.09135%0.352CS..  trans-89156.3170.3178.40000109.7Y15 I37 L40 L41 Y85Y15-V17 PolarHBondContact O-N 3.47Å; Y15-V17 VanDerWaalsContact O-N 3.15Å; V17-I37 HydrophobicContact CG2-CD1 4.43Å; V17-I37 HydrophobicContact CG2-CG2 4.39Å; V17-L40 HydrophobicContact CG1-CB 4Å; V17-L40 HydrophobicContact CG1-CD1 3.77Å; V17-L40 HydrophobicContact CG1-CG 4.42Å; V17-L40 HydrophobicContact CG2-CB 4.21Å; V17-L41 HydrophobicContact CG2-CD2 3.87Å; V17-L41 HydrophobicContact CG2-CG 4.12Å; V17-Y85 WeakPolarHBondContact CG2-OH 3.46Å; V17-Y85 PolarHBondContact N-OH 3.03Å
18D77.9Confident81.2Confident100 Ų10063.4 Ų63.454%0.53534%0.339SS..  trans-68.2143.3177.8-63.3-14.1000111.1V20 K44D18-V20 HydrophobicContact CB-CG2 4.29Å; D18-V20 PolarHBondContact O-N 2.93Å; D18-K44 IonicContact OD1-NZ 3.68Å; D18-K44 PolarHBondContact OD1-NZ 3.14Å
19D75.7Confident81.2Confident90 Ų9067.7 Ų67.748%0.48136%0.36SS..  trans-8563.6-165.2-162.810.6000112.3R7R7-D19 WeakPolarHBondContact CG-OD1 3.46Å; R7-D19 IonicContact CZ-OD1 3.14Å; R7-D19 IonicContact CZ-OD2 3.71Å; R7-D19 IonicContact NE-OD1 3.47Å; R7-D19 PolarHBondContact NE-OD1 3.39Å; R7-D19 IonicContact NE-OD2 2.75Å; R7-D19 IonicContact NH2-OD1 3.68Å; R7-D19 PolarHBondContact NH2-OD1 2.69Å; R7-D19 IonicContact NH2-OD2 3.83Å; R7-D19 PolarHBondContact NH2-OD2 2.97Å
20V82.3Confident81.2Confident75 Ų7565.4 Ų65.446%0.45535%0.352SS..  trans-119136.2-171.9-173.90000110D18 F22D18-V20 HydrophobicContact CB-CG2 4.29Å; D18-V20 PolarHBondContact O-N 2.93Å; V20-F22 HydrophobicContact CB-CE2 4.19Å; V20-F22 HydrophobicContact CB-CZ 4.43Å; V20-F22 WeakPolarHBondContact O-CD2 3.5Å; V20-F22 VanDerWaalsContact O-CE2 3.3Å; V20-F22 WeakPolarHBondContact O-CE2 3.49Å; V20-F22 PolarHBondContact O-N 3.34Å
21P83.9Confident81.2Confident72 Ų7270.7 Ų70.747%0.46838%0.375SS..  trans-65.4123.8173.2-19.231.3000111.4V80P21-V80 HydrophobicContact CB-CG1 4.41Å
22F83.7Confident81.7Confident63 Ų6368.4 Ų68.428%0.27637%0.367SS..EExtended strand (participates in β ladder)trans-106.2142.5176.1-72.2-82.4000111.1Q5 A6 F8 V20 L40Q5-F22 CarbonylContact C-O 3.57Å; Q5-F22 WeakPolarHBondContact CA-O 3.43Å; A6-F22 PolarHBondContact N-O 2.96Å; A6-F22 PolarHBondContact O-N 3.23Å; F8-F22 HydrophobicContact CD2-CD2 4.08Å; F8-F22 HydrophobicContact CE2-CB 4.33Å; F8-F22 HydrophobicContact CE2-CD2 4.4Å; V20-F22 HydrophobicContact CB-CE2 4.19Å; V20-F22 HydrophobicContact CB-CZ 4.43Å; V20-F22 WeakPolarHBondContact O-CD2 3.5Å; V20-F22 VanDerWaalsContact O-CE2 3.3Å; V20-F22 WeakPolarHBondContact O-CE2 3.49Å; V20-F22 PolarHBondContact O-N 3.34Å; F22-L40 HydrophobicContact CD2-CD1 4.5Å; F22-L40 HydrophobicContact CE1-CD1 4.34Å; F22-L40 HydrophobicContact CE1-CD2 4.01Å; F22-L40 HydrophobicContact CE2-CD1 3.96Å; F22-L40 HydrophobicContact CZ-CD1 3.88Å; F22-L40 HydrophobicContact CZ-CD2 3.82Å
23S85.3Confident82.2Confident75 Ų7565.1 Ų65.152%0.52435%0.349SS..EExtended strand (participates in β ladder)trans-87.8111.1172-62.10000109.8L4L4-S23 CarbonylContact O-C 3.58Å; L4-S23 WeakPolarHBondContact O-CA 3.46Å
24I85.8Confident82.7Confident5 Ų557 Ų573%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-110.9145.1179.752.3170.3000111.2Q3 L4 A6 F8 A26 L33 L66 I83Q3-I24 CarbonylContact C-O 3.57Å; Q3-I24 WeakPolarHBondContact CA-O 3.34Å; L4-I24 HydrophobicContact CB-CG1 4.32Å; L4-I24 PolarHBondContact N-O 2.93Å; L4-I24 WeakPolarHBondContact O-CG1 3.29Å; L4-I24 PolarHBondContact O-N 2.76Å; A6-I24 HydrophobicContact CB-CD1 3.4Å; A6-I24 VanDerWaalsContact CB-CD1 3.4Å; A6-I24 HydrophobicContact CB-CG1 3.85Å; F8-I24 HydrophobicContact CE2-CG2 4.46Å; F8-I24 HydrophobicContact CZ-CG2 4.29Å; I24-A26 PolarHBondContact O-N 3.38Å; I24-L33 HydrophobicContact CD1-CD2 3.88Å; I24-L33 HydrophobicContact CG2-CD2 4.32Å; I24-L66 HydrophobicContact CD1-CD2 3.3Å; I24-L66 HydrophobicContact CG1-CD2 4.2Å; I24-I83 HydrophobicContact CD1-CD1 4.12Å
25P85.4Confident83.4Confident58 Ų5853.3 Ų53.338%0.37730%0.302SS..EExtended strand (participates in β ladder)trans-59.9133.8170.7-21.132.4000111.2A27 S28P25-A27 PolarHBondContact O-N 2.97Å; P25-A27 VanDerWaalsContact O-N 3.14Å; P25-S28 WeakPolarHBondContact CD-OG 3.38Å; P25-S28 VanDerWaalsContact O-CB 3.26Å; P25-S28 WeakPolarHBondContact O-CB 3.48Å; P25-S28 PolarHBondContact O-N 3.42Å; P25-S28 PolarHBondContact O-OG 3.33Å; P25-S28 VanDerWaalsContact O-OG 3.1Å
26A81.2Confident83.8Confident3 Ų354.2 Ų54.23%0.02531%0.311CS..THydrogen-bonded Turntrans-65.6-18.8179.400000113.4S2 L4 I24 S28 A67S2-A26 WeakPolarHBondContact O-CB 3.2Å; S2-A26 PolarHBondContact O-N 3.49Å; S2-A26 WeakPolarHBondContact OG-CB 3.34Å; L4-A26 HydrophobicContact CD1-CB 3.92Å; I24-A26 PolarHBondContact O-N 3.38Å; A26-S28 VanDerWaalsContact C-N 3.31Å; A26-A67 HydrophobicContact CB-CB 4.11Å; A26-A67 WeakPolarHBondContact O-CB 3.28Å; A26-A67 PolarHBondContact O-N 3.15Å
27A84.1Confident84.1Confident61 Ų6151.1 Ų51.150%0.50429%0.292SS..THydrogen-bonded Turntrans-85.10.1175.500000113.6P25 E29P25-A27 PolarHBondContact O-N 2.97Å; P25-A27 VanDerWaalsContact O-N 3.14Å; A27-E29 PolarHBondContact O-N 3.49Å
28S85.1Confident84.4Confident9 Ų950.6 Ų50.66%0.06329%0.289CS..  trans-61.8135.8-178.7-73.20000111.9P25 A26 L66P25-S28 WeakPolarHBondContact CD-OG 3.38Å; P25-S28 VanDerWaalsContact O-CB 3.26Å; P25-S28 WeakPolarHBondContact O-CB 3.48Å; P25-S28 PolarHBondContact O-N 3.42Å; P25-S28 PolarHBondContact O-OG 3.33Å; P25-S28 VanDerWaalsContact O-OG 3.1Å; A26-S28 VanDerWaalsContact C-N 3.31Å; S28-L66 PolarHBondContact O-N 3.15Å
29E86.9Confident84.7Confident95 Ų9552.8 Ų52.844%0.44429%0.293SS..  trans-97.6172.9173.3-64-178.2-178.200110.8A27 Q31 D32 L33 Q65A27-E29 PolarHBondContact O-N 3.49Å; E29-Q31 PolarHBondContact O-N 3.35Å; E29-D32 PolarHBondContact N-OD2 3.29Å; E29-D32 PolarHBondContact O-N 3.08Å; E29-L33 WeakPolarHBondContact O-CG 3.42Å; E29-L33 PolarHBondContact O-N 3.18Å; E29-L33 VanDerWaalsContact O-N 3.1Å; E29-Q65 HydrophobicContact CG-CG 4.05Å
30V85.6Confident85.1Confident33 Ų3350.5 Ų50.520%0.228%0.281CS..Hα-helixtrans-52.6-40.7178.6173.60000111.9D32 L33 S34 F53 F55 L62V30-D32 PolarHBondContact O-N 2.78Å; V30-L33 PolarHBondContact O-N 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.26Å; V30-S34 PolarHBondContact O-N 2.96Å; V30-F53 WeakPolarHBondContact CG1-O 3.48Å; V30-F55 HydrophobicContact CB-CD2 4.47Å; V30-F55 HydrophobicContact CG1-CD2 3.98Å; V30-F55 HydrophobicContact CG1-CE2 4.17Å; V30-F55 WeakPolarHBondContact O-CE2 3.3Å; V30-L62 HydrophobicContact CG2-CB 4.29Å; V30-L62 HydrophobicContact CG2-CD2 4.22Å; V30-L62 HydrophobicContact CG2-CG 4.22Å; V30-L62 WeakPolarHBondContact CG2-O 3.44Å
31Q84.8Confident85.2Confident133 Ų13347 Ų4762%0.62126%0.26SS*.Hα-helixtrans-65.4-39.6179.5-65.5-177.2-2.400112.4E29 S34 N35E29-Q31 PolarHBondContact O-N 3.35Å; Q31-S34 PolarHBondContact O-N 3.29Å; Q31-N35 PolarHBondContact O-N 3.16Å; Q31-N35 PolarHBondContact O-ND2 2.87Å; Q31-N35 VanDerWaalsContact O-ND2 3.09Å
32D86.7Confident85.1Confident77 Ų7748.2 Ų48.241%0.41226%0.259SS..Hα-helixtrans-66.3-44.4178.1-66.3-36000110.9E29 V30 N35 V36E29-D32 PolarHBondContact N-OD2 3.29Å; E29-D32 PolarHBondContact O-N 3.08Å; V30-D32 PolarHBondContact O-N 2.78Å; D32-N35 WeakPolarHBondContact O-CB 3.17Å; D32-N35 PolarHBondContact O-N 2.82Å; D32-V36 WeakPolarHBondContact O-CG2 3.26Å; D32-V36 PolarHBondContact O-N 3.31Å
33L85.4Confident84.9Confident1 Ų149.6 Ų49.61%0.00528%0.282CS..Hα-helixtrans-63.5-42.1177.1-63176.7000111F8 I24 E29 V30 N35 V36 I37 F55 L62F8-L33 HydrophobicContact CE1-CD2 4.35Å; F8-L33 HydrophobicContact CZ-CD2 4.04Å; I24-L33 HydrophobicContact CD1-CD2 3.88Å; I24-L33 HydrophobicContact CG2-CD2 4.32Å; E29-L33 WeakPolarHBondContact O-CG 3.42Å; E29-L33 PolarHBondContact O-N 3.18Å; E29-L33 VanDerWaalsContact O-N 3.1Å; V30-L33 PolarHBondContact O-N 3.24Å; L33-N35 VanDerWaalsContact C-N 3.29Å; L33-N35 PolarHBondContact O-N 3.34Å; L33-V36 WeakPolarHBondContact O-CB 3.43Å; L33-V36 PolarHBondContact O-N 3.1Å; L33-V36 VanDerWaalsContact O-N 3.11Å; L33-I37 WeakPolarHBondContact O-CG1 3.3Å; L33-I37 PolarHBondContact O-N 2.95Å; L33-F55 HydrophobicContact CB-CD1 4.27Å; L33-F55 HydrophobicContact CB-CD2 3.9Å; L33-F55 HydrophobicContact CB-CE1 3.8Å; L33-F55 HydrophobicContact CB-CE2 3.43Å; L33-F55 VanDerWaalsContact CB-CE2 3.43Å; L33-F55 HydrophobicContact CB-CG 4.32Å; L33-F55 HydrophobicContact CB-CZ 3.37Å; L33-F55 HydrophobicContact CD1-CD1 4.36Å; L33-F55 HydrophobicContact CD1-CD2 4.11Å; L33-F55 HydrophobicContact CD1-CE2 4.49Å; L33-F55 HydrophobicContact CD1-CG 4.07Å; L33-L62 HydrophobicContact CD1-CD2 3.6Å
34S87.3Confident84.5Confident7 Ų750.5 Ų50.55%0.04928%0.276CS..Hα-helixtrans-61.7-38.1174.8-179.50000111.6V30 Q31 V36 I37 N38 V51 F53 F55V30-S34 WeakPolarHBondContact O-CB 3.26Å; V30-S34 PolarHBondContact O-N 2.96Å; Q31-S34 PolarHBondContact O-N 3.29Å; S34-V36 VanDerWaalsContact C-N 3.33Å; S34-V36 PolarHBondContact O-N 2.99Å; S34-I37 PolarHBondContact O-N 3.45Å; S34-N38 WeakPolarHBondContact O-CB 3.18Å; S34-N38 PolarHBondContact O-N 2.85Å; S34-N38 PolarHBondContact O-ND2 3.17Å; S34-N38 PolarHBondContact OG-ND2 3.23Å; S34-V51 PolarHBondContact OG-O 3.01Å; S34-F53 PolarHBondContact OG-N 2.86Å; S34-F55 VanDerWaalsContact N-CZ 3.34Å
35N86.7Confident84Confident52 Ų5254.7 Ų54.728%0.27830%0.296SS..Hα-helixtrans-65.9-35.2174.5-67-27.8000112.8Q31 D32 L33 K39 R50Q31-N35 PolarHBondContact O-N 3.16Å; Q31-N35 PolarHBondContact O-ND2 2.87Å; Q31-N35 VanDerWaalsContact O-ND2 3.09Å; D32-N35 WeakPolarHBondContact O-CB 3.17Å; D32-N35 PolarHBondContact O-N 2.82Å; L33-N35 VanDerWaalsContact C-N 3.29Å; L33-N35 PolarHBondContact O-N 3.34Å; N35-K39 VanDerWaalsContact O-CG 3.32Å; N35-K39 WeakPolarHBondContact O-CG 3.38Å; N35-K39 PolarHBondContact O-N 3.48Å; N35-R50 PolarHBondContact OD1-NH2 3.02Å
36V86.8Confident82.8Confident50 Ų5057.2 Ų57.230%0.30332%0.322SS..Hα-helixtrans-65.4-49.2174.7172.30000110.2D32 L33 S34 N38 K39 L40D32-V36 WeakPolarHBondContact O-CG2 3.26Å; D32-V36 PolarHBondContact O-N 3.31Å; L33-V36 WeakPolarHBondContact O-CB 3.43Å; L33-V36 PolarHBondContact O-N 3.1Å; L33-V36 VanDerWaalsContact O-N 3.11Å; S34-V36 VanDerWaalsContact C-N 3.33Å; S34-V36 PolarHBondContact O-N 2.99Å; V36-N38 PolarHBondContact O-N 2.81Å; V36-K39 PolarHBondContact O-N 3.35Å; V36-L40 HydrophobicContact CG1-CD1 4.04Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 2.99Å
37I85.2Confident81.8Confident0 Ų062.7 Ų62.70%036%0.36CS..Hα-helixtrans-61.2-46.4178.9-63.8-60.1000111.4F8 V17 L33 S34 K39 L40 L41 F53 F55 Y85F8-I37 HydrophobicContact CB-CD1 3.92Å; F8-I37 HydrophobicContact CD1-CD1 3.84Å; F8-I37 HydrophobicContact CD2-CD1 3.98Å; F8-I37 HydrophobicContact CE1-CD1 4.33Å; F8-I37 HydrophobicContact CE2-CD1 4.46Å; F8-I37 HydrophobicContact CG-CD1 3.65Å; V17-I37 HydrophobicContact CG2-CD1 4.43Å; V17-I37 HydrophobicContact CG2-CG2 4.39Å; L33-I37 WeakPolarHBondContact O-CG1 3.3Å; L33-I37 PolarHBondContact O-N 2.95Å; S34-I37 PolarHBondContact O-N 3.45Å; I37-K39 VanDerWaalsContact C-N 3.3Å; I37-K39 PolarHBondContact O-N 3.4Å; I37-L40 PolarHBondContact O-N 2.92Å; I37-L40 VanDerWaalsContact O-N 3.08Å; I37-L41 HydrophobicContact CG2-CD1 3.73Å; I37-L41 HydrophobicContact CG2-CG 4.2Å; I37-L41 WeakPolarHBondContact O-CG 3.07Å; I37-L41 PolarHBondContact O-N 3.2Å; I37-F53 HydrophobicContact CB-CD2 4.23Å; I37-F53 HydrophobicContact CB-CE2 4.41Å; I37-F53 HydrophobicContact CG2-CD2 3.86Å; I37-F53 HydrophobicContact CG2-CE2 3.67Å; I37-F53 HydrophobicContact CG2-CZ 4.21Å; I37-F55 HydrophobicContact CG1-CE1 3.95Å; I37-F55 HydrophobicContact CG1-CZ 4.12Å; I37-Y85 HydrophobicContact CD1-CD1 4.21Å; I37-Y85 HydrophobicContact CD1-CE1 4.14Å; I37-Y85 HydrophobicContact CG2-CD2 4.15Å; I37-Y85 HydrophobicContact CG2-CE2 3.93Å
38N85.8Confident81Confident3 Ų361.7 Ų61.72%0.01635%0.345CS..Hα-helixtrans-58.2-40.8177.8-79.4-61.2000112.4S34 V36 L41 E42 H48 R50 V51S34-N38 WeakPolarHBondContact O-CB 3.18Å; S34-N38 PolarHBondContact O-N 2.85Å; S34-N38 PolarHBondContact O-ND2 3.17Å; S34-N38 PolarHBondContact OG-ND2 3.23Å; V36-N38 PolarHBondContact O-N 2.81Å; N38-L41 PolarHBondContact O-N 3.2Å; N38-E42 WeakPolarHBondContact O-CB 3.25Å; N38-E42 VanDerWaalsContact O-CG 3.31Å; N38-E42 WeakPolarHBondContact O-CG 3.49Å; N38-E42 PolarHBondContact O-N 3.1Å; N38-H48 PolarHBondContact OD1-NE2 2.87Å; N38-R50 HydrophobicContact CB-CG 4.31Å; N38-V51 PolarHBondContact ND2-O 3.21Å; N38-V51 PolarHBondContact OD1-N 3.44Å; N38-V51 PolarHBondContact OD1-O 2.86Å
39K85.7Confident80.3Confident146 Ų14665.4 Ų65.464%0.63537%0.371SS*.Hα-helixtrans-65.3-38.1175.6-75.2174.9-179.6177.80112.7N35 V36 I37 L41 A43N35-K39 VanDerWaalsContact O-CG 3.32Å; N35-K39 WeakPolarHBondContact O-CG 3.38Å; N35-K39 PolarHBondContact O-N 3.48Å; V36-K39 PolarHBondContact O-N 3.35Å; I37-K39 VanDerWaalsContact C-N 3.3Å; I37-K39 PolarHBondContact O-N 3.4Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-A43 WeakPolarHBondContact O-CB 3.44Å; K39-A43 PolarHBondContact O-N 3.18Å; K39-A43 VanDerWaalsContact O-N 3.11Å
40L83.4Confident79.8Confident43 Ų4369.2 Ų69.223%0.22538%0.381CS..Hα-helixtrans-67.4-38176.3-67.4171.9000111.1V17 F22 V36 I37 A43 K44V17-L40 HydrophobicContact CG1-CB 4Å; V17-L40 HydrophobicContact CG1-CD1 3.77Å; V17-L40 HydrophobicContact CG1-CG 4.42Å; V17-L40 HydrophobicContact CG2-CB 4.21Å; F22-L40 HydrophobicContact CD2-CD1 4.5Å; F22-L40 HydrophobicContact CE1-CD1 4.34Å; F22-L40 HydrophobicContact CE1-CD2 4.01Å; F22-L40 HydrophobicContact CE2-CD1 3.96Å; F22-L40 HydrophobicContact CZ-CD1 3.88Å; F22-L40 HydrophobicContact CZ-CD2 3.82Å; V36-L40 HydrophobicContact CG1-CD1 4.04Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 2.99Å; I37-L40 PolarHBondContact O-N 2.92Å; I37-L40 VanDerWaalsContact O-N 3.08Å; L40-A43 PolarHBondContact O-N 3.34Å; L40-K44 PolarHBondContact O-N 2.88Å
41L83.5Confident79.5Confident0 Ų068.2 Ų68.20%038%0.375CS..Hα-helixtrans-71-41.7176.1-69173.1000112.4Y15 V17 I37 N38 K39 A43 K44 H45 H48 F53Y15-L41 HydrophobicContact CD1-CD1 3.98Å; Y15-L41 HydrophobicContact CG-CD1 4.48Å; V17-L41 HydrophobicContact CG2-CD2 3.87Å; V17-L41 HydrophobicContact CG2-CG 4.12Å; I37-L41 HydrophobicContact CG2-CD1 3.73Å; I37-L41 HydrophobicContact CG2-CG 4.2Å; I37-L41 WeakPolarHBondContact O-CG 3.07Å; I37-L41 PolarHBondContact O-N 3.2Å; N38-L41 PolarHBondContact O-N 3.2Å; K39-L41 VanDerWaalsContact C-N 3.34Å; L41-A43 VanDerWaalsContact C-N 3.26Å; L41-A43 PolarHBondContact O-N 3.36Å; L41-K44 PolarHBondContact O-N 2.9Å; L41-K44 VanDerWaalsContact O-N 3.1Å; L41-H45 PolarHBondContact O-N 3.28Å; L41-H48 WeakPolarHBondContact CD1-NE2 3.45Å; L41-F53 HydrophobicContact CD1-CE2 4.07Å; L41-F53 HydrophobicContact CD1-CZ 3.88Å
42E83.1Confident79.4Confident99 Ų9967.3 Ų67.346%0.46337%0.371SS..Hα-helixtrans-58.6-38.3172.8-78173.3-170.800111.9N38 K44 H45N38-E42 WeakPolarHBondContact O-CB 3.25Å; N38-E42 VanDerWaalsContact O-CG 3.31Å; N38-E42 WeakPolarHBondContact O-CG 3.49Å; N38-E42 PolarHBondContact O-N 3.1Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 2.62Å; E42-H45 CarbonylContact O-C 3.57Å
43A80.1Confident79.3Confident91 Ų9163.7 Ų63.775%0.75235%0.352SS*.Hα-helixtrans-66.9-30176.700000112.9K39 L40 L41K39-A43 WeakPolarHBondContact O-CB 3.44Å; K39-A43 PolarHBondContact O-N 3.18Å; K39-A43 VanDerWaalsContact O-N 3.11Å; L40-A43 PolarHBondContact O-N 3.34Å; L41-A43 VanDerWaalsContact C-N 3.26Å; L41-A43 PolarHBondContact O-N 3.36Å
44K76.4Confident79.3Confident94 Ų9464.8 Ų64.841%0.40936%0.357SS..Hα-helixtrans-90.5-35.7-179.1-164.9171.9-179.2167.70112.7V16 D18 L40 L41 E42V16-K44 PolarHBondContact O-NZ 3.42Å; D18-K44 IonicContact OD1-NZ 3.68Å; D18-K44 PolarHBondContact OD1-NZ 3.14Å; L40-K44 PolarHBondContact O-N 2.88Å; L41-K44 PolarHBondContact O-N 2.9Å; L41-K44 VanDerWaalsContact O-N 3.1Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 PolarHBondContact O-N 2.62Å
45H74.6Confident79.3Confident93 Ų9364.5 Ų64.543%0.43136%0.355SS..  trans-131.2105-176.2-61.8-69.8000110.2L41 E42 S47 H48L41-H45 PolarHBondContact O-N 3.28Å; E42-H45 CarbonylContact O-C 3.57Å; H45-S47 PolarHBondContact O-N 2.97Å; H45-H48 HydrophobicContact CB-CB 4.48Å; H45-H48 PolarHBondContact O-N 3.44Å
46A60.7Low79.2Confident112 Ų11262.2 Ų62.293%0.92634%0.343SS*.THydrogen-bonded Turntrans-63.3-8.5-174.400000115.5
47S59.8Low79.1Confident118 Ų11859.9 Ų59.983%0.82533%0.329SS*.THydrogen-bonded Turntrans-121.930.4-178.765.90000112.8H45H45-S47 PolarHBondContact O-N 2.97Å
48H66.6Low78.8Confident39 Ų3966.9 Ų66.918%0.18136%0.359CS..PPolyproline II helixtrans-78.3123.4178.2-174.267.3000110.9Y15 N38 L41 H45Y15-H48 AromaticContact CD1-CE1 3.69Å; Y15-H48 AromaticContact CE1-CE1 3.55Å; N38-H48 PolarHBondContact OD1-NE2 2.87Å; L41-H48 WeakPolarHBondContact CD1-NE2 3.45Å; H45-H48 HydrophobicContact CB-CB 4.48Å; H45-H48 PolarHBondContact O-N 3.44Å
49S70.9Confident78.4Confident88 Ų8868.3 Ų68.362%0.61538%0.375SS*.PPolyproline II helixtrans-73.6139.516649.60000109V51S49-V51 WeakPolarHBondContact O-CG2 3.47Å; S49-V51 PolarHBondContact O-N 2.82Å
50R76.6Confident78.2Confident174 Ų17463 Ų6366%0.65735%0.353SS*.PPolyproline II helixtrans-64.2123.3179.7-169.5173.2179.9-178.1-3.8110.3N35 N38N35-R50 PolarHBondContact OD1-NH2 3.02Å; N38-R50 HydrophobicContact CB-CG 4.31Å
51V79.4Confident78.2Confident13 Ų1361.9 Ų61.98%0.07935%0.346CS..  trans-115.4138.6-179.7-179.20000109.9Y15 S34 N38 S49 F53 Q87Y15-V51 HydrophobicContact CE1-CG2 4.18Å; S34-V51 PolarHBondContact OG-O 3.01Å; N38-V51 PolarHBondContact ND2-O 3.21Å; N38-V51 PolarHBondContact OD1-N 3.44Å; N38-V51 PolarHBondContact OD1-O 2.86Å; S49-V51 WeakPolarHBondContact O-CG2 3.47Å; S49-V51 PolarHBondContact O-N 2.82Å; V51-F53 HydrophobicContact CB-CE1 4.5Å; V51-F53 HydrophobicContact CB-CE2 3.94Å; V51-F53 HydrophobicContact CB-CZ 3.84Å; V51-F53 HydrophobicContact CG1-CE1 4.11Å; V51-F53 HydrophobicContact CG1-CE2 4.3Å; V51-F53 HydrophobicContact CG1-CZ 3.95Å; V51-F53 WeakPolarHBondContact O-CD2 3.15Å; V51-F53 WeakPolarHBondContact O-CE2 3.39Å; V51-Q87 HydrophobicContact CG1-CG 3.75Å
52E82.4Confident78.2Confident113 Ų11362.1 Ų62.153%0.52835%0.347SS..  trans-81.1136.9170.8-64.3-168.4165.900109.8R88E52-R88 HydrophobicContact CB-CB 3.83Å; E52-R88 HydrophobicContact CB-CG 4.49Å; E52-R88 VanDerWaalsContact O-CB 3.26Å; E52-R88 WeakPolarHBondContact O-CB 3.5Å; E52-R88 PolarHBondContact O-N 2.85Å; E52-R88 WeakPolarHBondContact OE2-CD 3.22Å; E52-R88 IonicContact OE2-CZ 3.52Å; E52-R88 IonicContact OE2-NE 2.99Å; E52-R88 IonicContact OE2-NH1 3.1Å; E52-R88 PolarHBondContact OE2-NH1 2.81Å
53F85Confident78Confident2 Ų264.2 Ų64.21%0.00935%0.351CS..EExtended strand (participates in β ladder)trans-121.8142.8-178.8-65.1-78.1000110Y15 V30 S34 I37 L41 V51 F55 Y85 V86Y15-F53 HydrophobicContact CD1-CE1 4.33Å; Y15-F53 AromaticContact CD1-CZ 3.95Å; Y15-F53 HydrophobicContact CD1-CZ 3.95Å; Y15-F53 AromaticContact CD2-CE1 3.78Å; Y15-F53 HydrophobicContact CD2-CE1 3.78Å; Y15-F53 HydrophobicContact CD2-CZ 4.24Å; Y15-F53 HydrophobicContact CE1-CZ 4.36Å; Y15-F53 HydrophobicContact CE2-CE1 4.21Å; Y15-F53 AromaticContact CG-CE1 3.83Å; Y15-F53 HydrophobicContact CG-CE1 3.83Å; Y15-F53 AromaticContact CG-CZ 3.88Å; Y15-F53 HydrophobicContact CG-CZ 3.88Å; V30-F53 WeakPolarHBondContact CG1-O 3.48Å; S34-F53 PolarHBondContact OG-N 2.86Å; I37-F53 HydrophobicContact CB-CD2 4.23Å; I37-F53 HydrophobicContact CB-CE2 4.41Å; I37-F53 HydrophobicContact CG2-CD2 3.86Å; I37-F53 HydrophobicContact CG2-CE2 3.67Å; I37-F53 HydrophobicContact CG2-CZ 4.21Å; L41-F53 HydrophobicContact CD1-CE2 4.07Å; L41-F53 HydrophobicContact CD1-CZ 3.88Å; V51-F53 HydrophobicContact CB-CE1 4.5Å; V51-F53 HydrophobicContact CB-CE2 3.94Å; V51-F53 HydrophobicContact CB-CZ 3.84Å; V51-F53 HydrophobicContact CG1-CE1 4.11Å; V51-F53 HydrophobicContact CG1-CE2 4.3Å; V51-F53 HydrophobicContact CG1-CZ 3.95Å; V51-F53 WeakPolarHBondContact O-CD2 3.15Å; V51-F53 WeakPolarHBondContact O-CE2 3.39Å; F53-F55 HydrophobicContact CB-CE2 4.16Å; F53-F55 HydrophobicContact CB-CZ 3.96Å; F53-F55 WeakPolarHBondContact O-CE2 3.43Å; F53-Y85 AromaticContact CD1-CD2 3.87Å; F53-Y85 HydrophobicContact CD1-CD2 3.87Å; F53-Y85 HydrophobicContact CE1-CD2 4.14Å; F53-Y85 HydrophobicContact CE1-CE2 4.47Å; F53-Y85 HydrophobicContact CG-CD2 4.3Å; F53-V86 CarbonylContact C-O 3.57Å; F53-V86 VanDerWaalsContact CA-O 3.27Å; F53-V86 WeakPolarHBondContact CA-O 3.38Å
54D85.3Confident78.2Confident24 Ų2463.4 Ų63.413%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-98.3152.8163.7-74.9-38.5000109.5F61 Y85 V86 R88 I89D54-F61 HydrophobicContact CB-CD1 3.91Å; D54-F61 HydrophobicContact CB-CE1 3.85Å; D54-Y85 WeakPolarHBondContact O-CA 3.4Å; D54-V86 HydrophobicContact CB-CG2 4.05Å; D54-V86 PolarHBondContact N-O 3.22Å; D54-V86 PolarHBondContact O-N 3.47Å; D54-R88 WeakPolarHBondContact OD2-CA 3.47Å; D54-R88 WeakPolarHBondContact OD2-CG 3.48Å; D54-I89 PolarHBondContact OD2-N 2.62Å
55F86.7Confident78.6Confident1 Ų162.9 Ų62.90%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-120.8133.6-173.8-62.4-87.4000110.6F8 V30 L33 S34 I37 F53 F61 L62 I83 E84 Y85F8-F55 HydrophobicContact CD1-CE1 4.3Å; F8-F55 HydrophobicContact CE1-CD1 4.3Å; F8-F55 HydrophobicContact CE1-CE1 4.07Å; V30-F55 HydrophobicContact CB-CD2 4.47Å; V30-F55 HydrophobicContact CG1-CD2 3.98Å; V30-F55 HydrophobicContact CG1-CE2 4.17Å; V30-F55 WeakPolarHBondContact O-CE2 3.3Å; L33-F55 HydrophobicContact CB-CD1 4.27Å; L33-F55 HydrophobicContact CB-CD2 3.9Å; L33-F55 HydrophobicContact CB-CE1 3.8Å; L33-F55 HydrophobicContact CB-CE2 3.43Å; L33-F55 VanDerWaalsContact CB-CE2 3.43Å; L33-F55 HydrophobicContact CB-CG 4.32Å; L33-F55 HydrophobicContact CB-CZ 3.37Å; L33-F55 HydrophobicContact CD1-CD1 4.36Å; L33-F55 HydrophobicContact CD1-CD2 4.11Å; L33-F55 HydrophobicContact CD1-CE2 4.49Å; L33-F55 HydrophobicContact CD1-CG 4.07Å; S34-F55 VanDerWaalsContact N-CZ 3.34Å; I37-F55 HydrophobicContact CG1-CE1 3.95Å; I37-F55 HydrophobicContact CG1-CZ 4.12Å; F53-F55 HydrophobicContact CB-CE2 4.16Å; F53-F55 HydrophobicContact CB-CZ 3.96Å; F53-F55 WeakPolarHBondContact O-CE2 3.43Å; F55-F61 CarbonylContact O-C 3.55Å; F55-F61 WeakPolarHBondContact O-CA 3.5Å; F55-L62 HydrophobicContact CB-CB 4.21Å; F55-L62 HydrophobicContact CB-CD2 4.47Å; F55-L62 PolarHBondContact O-N 2.94Å; F55-I83 HydrophobicContact CB-CG2 3.77Å; F55-I83 HydrophobicContact CD1-CG2 3.64Å; F55-I83 HydrophobicContact CG-CG2 4.13Å; F55-E84 CarbonylContact C-O 3.46Å; F55-E84 WeakPolarHBondContact CA-O 3.45Å; F55-Y85 HydrophobicContact CE1-CG 4.36Å
56L85.6Confident79.1Confident4 Ų458.5 Ų58.52%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-107.1127.3173.9-11874.4000110.4Q60 F61 I83 E84 R373L56-Q60 CarbonylContact C-O 3.52Å; L56-Q60 VanDerWaalsContact CA-O 3.3Å; L56-Q60 WeakPolarHBondContact CA-O 3.15Å; L56-F61 HydrophobicContact CD1-CB 4.24Å; L56-F61 HydrophobicContact CD1-CD1 3.16Å; L56-F61 HydrophobicContact CD1-CD2 3.66Å; L56-F61 HydrophobicContact CD1-CE1 3.16Å; L56-F61 HydrophobicContact CD1-CE2 3.62Å; L56-F61 HydrophobicContact CD1-CG 3.41Å; L56-F61 VanDerWaalsContact CD1-CG 3.41Å; L56-F61 HydrophobicContact CD1-CZ 3.39Å; L56-I83 WeakPolarHBondContact O-CA 3.41Å; L56-E84 HydrophobicContact CB-CB 3.79Å; L56-E84 PolarHBondContact N-O 3.43Å; L56-E84 PolarHBondContact O-N 3.32Å; L56-R373 HydrophobicContact CD2-CB 3.6Å
57V84.5Confident80.2Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-120119.6172.4-175.40000107.7G59 Q60 L66 I75 V81 I83V57-G59 PolarHBondContact O-N 3.08Å; V57-G59 VanDerWaalsContact O-N 3.15Å; V57-Q60 PolarHBondContact N-O 2.72Å; V57-Q60 PolarHBondContact O-N 3.42Å; V57-L66 HydrophobicContact CG2-CD1 4.27Å; V57-I75 HydrophobicContact CG1-CD1 3.64Å; V57-V81 HydrophobicContact CG1-CG1 3.84Å; V57-I83 HydrophobicContact CG2-CG1 4.17Å; V57-I83 HydrophobicContact CG2-CG2 4.22Å
58K79.2Confident81.4Confident147 Ų14751.2 Ų51.264%0.63926%0.257SS*.THydrogen-bonded Turntrans47.639.8-175.6-66.2-168.3176-178.90114.2I75K58-I75 HydrophobicContact CD-CD1 3.72Å; K58-I75 HydrophobicContact CD-CG1 3.96Å; K58-I75 HydrophobicContact CG-CD1 3.99Å
59G76.2Confident82.2Confident34 Ų3449.9 Ų49.935%0.35125%0.251SS..THydrogen-bonded Turntrans74.929.5-179.900000114.2V57 R373 S374V57-G59 PolarHBondContact O-N 3.08Å; V57-G59 VanDerWaalsContact O-N 3.15Å; G59-R373 CarbonylContact C-O 3.59Å; G59-R373 VanDerWaalsContact C-O 3.28Å; G59-R373 WeakPolarHBondContact CA-O 3.46Å; G59-S374 WeakPolarHBondContact O-CA 3.41Å
60Q81.6Confident82.7Confident35 Ų3545.8 Ų45.816%0.16422%0.222CC..EExtended strand (participates in β ladder)trans-135.5137.5170.2-65.4-17227.400111L56 V57 L62 E73L56-Q60 CarbonylContact C-O 3.52Å; L56-Q60 VanDerWaalsContact CA-O 3.3Å; L56-Q60 WeakPolarHBondContact CA-O 3.15Å; V57-Q60 PolarHBondContact N-O 2.72Å; V57-Q60 PolarHBondContact O-N 3.42Å; Q60-L62 PolarHBondContact O-N 2.67Å; Q60-E73 VanDerWaalsContact CD-CD 3.47Å; Q60-E73 VanDerWaalsContact CD-OE1 3.29Å; Q60-E73 PolarHBondContact NE2-OE1 3.17Å; Q60-E73 PolarHBondContact NE2-OE2 2.66Å; Q60-E73 PolarHBondContact OE1-OE1 3.02Å
61F83.7Confident83.1Confident18 Ų1844.8 Ų44.88%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-66.2130.7173.6-77.2-76.6000111D54 F55 L56 R63 V86 I89 D371 L379D54-F61 HydrophobicContact CB-CD1 3.91Å; D54-F61 HydrophobicContact CB-CE1 3.85Å; F55-F61 CarbonylContact O-C 3.55Å; F55-F61 WeakPolarHBondContact O-CA 3.5Å; L56-F61 HydrophobicContact CD1-CB 4.24Å; L56-F61 HydrophobicContact CD1-CD1 3.16Å; L56-F61 HydrophobicContact CD1-CD2 3.66Å; L56-F61 HydrophobicContact CD1-CE1 3.16Å; L56-F61 HydrophobicContact CD1-CE2 3.62Å; L56-F61 HydrophobicContact CD1-CG 3.41Å; L56-F61 VanDerWaalsContact CD1-CG 3.41Å; L56-F61 HydrophobicContact CD1-CZ 3.39Å; F61-R63 PolarHBondContact O-N 2.79Å; F61-V86 HydrophobicContact CE1-CG2 3.88Å; F61-V86 HydrophobicContact CZ-CG2 4.44Å; F61-I89 HydrophobicContact CZ-CD1 4.44Å; F61-D371 HydrophobicContact CE2-CB 3.9Å; F61-L379 HydrophobicContact CD2-CD2 3.77Å; F61-L379 HydrophobicContact CE2-CD2 3.52Å; F61-L379 HydrophobicContact CG-CD2 4.45Å; F61-L379 HydrophobicContact CZ-CD2 3.97Å
62L82.8Confident83.3Confident6 Ų648.8 Ų48.83%0.03125%0.249CC..  trans-70.6109.8173-173.768.9000109.3V30 L33 F55 Q60 T64 L66 H69V30-L62 HydrophobicContact CG2-CB 4.29Å; V30-L62 HydrophobicContact CG2-CD2 4.22Å; V30-L62 HydrophobicContact CG2-CG 4.22Å; V30-L62 WeakPolarHBondContact CG2-O 3.44Å; L33-L62 HydrophobicContact CD1-CD2 3.6Å; F55-L62 HydrophobicContact CB-CB 4.21Å; F55-L62 HydrophobicContact CB-CD2 4.47Å; F55-L62 PolarHBondContact O-N 2.94Å; Q60-L62 PolarHBondContact O-N 2.67Å; L62-T64 VanDerWaalsContact CD1-O 3.3Å; L62-T64 WeakPolarHBondContact CD1-O 3.48Å; L62-T64 WeakPolarHBondContact CG-O 3.38Å; L62-L66 HydrophobicContact CD1-CD1 4.09Å; L62-L66 HydrophobicContact CD2-CD1 4.12Å; L62-H69 HydrophobicContact CD1-CB 3.54Å
63R80.2Confident83.2Confident143 Ų14345.8 Ų45.854%0.5424%0.235SC..  trans-111.4-15.7175.5-67.1-169.6176.3-173.5-2.7114.2F61 P378 L379F61-R63 PolarHBondContact O-N 2.79Å; R63-P378 PolarHBondContact NH1-O 3.15Å; R63-P378 PolarHBondContact NH2-O 2.78Å; R63-L379 PolarHBondContact NH2-O 3.32Å; R63-L379 VanDerWaalsContact NH2-O 3.15Å
64T84.1Confident82.9Confident74 Ų7448.8 Ų48.845%0.45427%0.267SS..SBendtrans-119.9-178.3179.459.70000109.5L62 T68L62-T64 VanDerWaalsContact CD1-O 3.3Å; L62-T64 WeakPolarHBondContact CD1-O 3.48Å; L62-T64 WeakPolarHBondContact CG-O 3.38Å; T64-T68 VanDerWaalsContact CB-OG1 3.32Å; T64-T68 WeakPolarHBondContact CB-OG1 3.5Å; T64-T68 PolarHBondContact OG1-OG1 2.89Å
65Q85.6Confident82.6Confident83 Ų8348.6 Ų48.639%0.38827%0.266SS..  trans-60.5143.4174.1-67.2172.9-0.700110.7E29 A67 T68 H69E29-Q65 HydrophobicContact CG-CG 4.05Å; Q65-A67 VanDerWaalsContact C-N 3.28Å; Q65-A67 PolarHBondContact O-N 3.4Å; Q65-T68 PolarHBondContact N-OG1 3.41Å; Q65-T68 PolarHBondContact O-N 3.43Å; Q65-T68 PolarHBondContact O-OG1 3.48Å; Q65-H69 PolarHBondContact O-N 3.2Å; Q65-H69 VanDerWaalsContact O-N 3.08Å
66L83.9Confident82.1Confident0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-53-43.2-175.1-170.168.1000113.1I24 S28 V57 L62 T68 H69 M70 I83I24-L66 HydrophobicContact CD1-CD2 3.3Å; I24-L66 HydrophobicContact CG1-CD2 4.2Å; S28-L66 PolarHBondContact O-N 3.15Å; V57-L66 HydrophobicContact CG2-CD1 4.27Å; L62-L66 HydrophobicContact CD1-CD1 4.09Å; L62-L66 HydrophobicContact CD2-CD1 4.12Å; L66-T68 PolarHBondContact O-N 2.75Å; L66-H69 PolarHBondContact O-N 2.97Å; L66-M70 HydrophobicContact CD1-CE 3.64Å; L66-M70 HydrophobicContact CD2-CE 3.8Å; L66-M70 HydrophobicContact CG-CE 3.52Å; L66-M70 HydrophobicContact CG-SD 4.18Å; L66-M70 VanDerWaalsContact O-CG 3.29Å; L66-M70 WeakPolarHBondContact O-CG 3.4Å; L66-M70 PolarHBondContact O-N 3.38Å; L66-I83 HydrophobicContact CD1-CD1 4.18Å; L66-I83 HydrophobicContact CD2-CD1 4.43Å
67A83.8Confident81.3Confident26 Ų2655.3 Ų55.322%0.21531%0.31CS..Hα-helixtrans-57.2-49.7176.400000113A26 Q65 H69 M70 E71A26-A67 HydrophobicContact CB-CB 4.11Å; A26-A67 WeakPolarHBondContact O-CB 3.28Å; A26-A67 PolarHBondContact O-N 3.15Å; Q65-A67 VanDerWaalsContact C-N 3.28Å; Q65-A67 PolarHBondContact O-N 3.4Å; A67-H69 VanDerWaalsContact C-N 3.29Å; A67-H69 PolarHBondContact O-N 3.31Å; A67-M70 PolarHBondContact O-N 3.14Å; A67-E71 WeakPolarHBondContact O-CG 3.4Å; A67-E71 PolarHBondContact O-N 3.44Å
68T84.7Confident80.6Confident51 Ų5163.6 Ų63.631%0.31335%0.348SS..Hα-helixtrans-65-35.5-179.360.20000112.3T64 Q65 L66 T72T64-T68 VanDerWaalsContact CB-OG1 3.32Å; T64-T68 WeakPolarHBondContact CB-OG1 3.5Å; T64-T68 PolarHBondContact OG1-OG1 2.89Å; Q65-T68 PolarHBondContact N-OG1 3.41Å; Q65-T68 PolarHBondContact O-N 3.43Å; Q65-T68 PolarHBondContact O-OG1 3.48Å; L66-T68 PolarHBondContact O-N 2.75Å; T68-T72 WeakPolarHBondContact O-CB 3.09Å; T68-T72 PolarHBondContact O-N 3.21Å; T68-T72 PolarHBondContact O-OG1 3.09Å
69H83.6Confident80.5Confident12 Ų1261.4 Ų61.46%0.05634%0.344CS..Hα-helixtrans-67.7-42.3176.5-172.374.3000111L62 Q65 L66 A67 T72 E73L62-H69 HydrophobicContact CD1-CB 3.54Å; Q65-H69 PolarHBondContact O-N 3.2Å; Q65-H69 VanDerWaalsContact O-N 3.08Å; L66-H69 PolarHBondContact O-N 2.97Å; A67-H69 VanDerWaalsContact C-N 3.29Å; A67-H69 PolarHBondContact O-N 3.31Å; H69-T72 PolarHBondContact O-N 3.06Å; H69-E73 WeakPolarHBondContact O-CG 3.43Å; H69-E73 PolarHBondContact O-N 3.47Å
70M82.8Confident80.8Confident2 Ų262.9 Ų62.91%0.0135%0.345CS..Hα-helixtrans-63.7-41.5175.8-72.8178.4177.900113.2L4 L66 A67 T72 E73 G74 I75 V81L4-M70 HydrophobicContact CD1-CE 4.21Å; L4-M70 HydrophobicContact CD1-SD 3.34Å; L4-M70 WeakPolarHBondContact CD1-SD 3.38Å; L4-M70 HydrophobicContact CD2-CE 3.77Å; L4-M70 HydrophobicContact CD2-SD 3.49Å; L4-M70 WeakPolarHBondContact CD2-SD 3.42Å; L4-M70 HydrophobicContact CG-SD 4.02Å; L66-M70 HydrophobicContact CD1-CE 3.64Å; L66-M70 HydrophobicContact CD2-CE 3.8Å; L66-M70 HydrophobicContact CG-CE 3.52Å; L66-M70 HydrophobicContact CG-SD 4.18Å; L66-M70 VanDerWaalsContact O-CG 3.29Å; L66-M70 WeakPolarHBondContact O-CG 3.4Å; L66-M70 PolarHBondContact O-N 3.38Å; A67-M70 PolarHBondContact O-N 3.14Å; M70-T72 VanDerWaalsContact C-N 3.31Å; M70-T72 PolarHBondContact O-N 3.44Å; M70-E73 CarbonylContact O-C 3.56Å; M70-E73 PolarHBondContact O-N 3.11Å; M70-G74 PolarHBondContact O-N 2.67Å; M70-I75 HydrophobicContact CB-CB 4.22Å; M70-I75 HydrophobicContact CG-CB 4.25Å; M70-I75 HydrophobicContact CG-CD1 4.38Å; M70-I75 PolarHBondContact O-N 2.89Å; M70-V81 HydrophobicContact CE-CB 3.74Å; M70-V81 HydrophobicContact CE-CG1 3.52Å; M70-V81 HydrophobicContact CE-CG2 3.44Å; M70-V81 VanDerWaalsContact CE-CG2 3.44Å; M70-V81 HydrophobicContact SD-CG2 4.24Å
71E84.4Confident80.9Confident153 Ų15361.6 Ų61.672%0.71534%0.34SS*.Hα-helixtrans-61.3-42174.3-73.7174.9-174.100111.3A67 E73 G74A67-E71 WeakPolarHBondContact O-CG 3.4Å; A67-E71 PolarHBondContact O-N 3.44Å; E71-E73 VanDerWaalsContact C-N 3.35Å; E71-E73 PolarHBondContact O-N 3.1Å; E71-G74 PolarHBondContact O-N 3Å
72T83.3Confident81.1Confident96 Ų9666 Ų6659%0.58936%0.361SS*.Hα-helixtrans-66.4-37.4179.4-55.90000112.2T68 H69 M70T68-T72 WeakPolarHBondContact O-CB 3.09Å; T68-T72 PolarHBondContact O-N 3.21Å; T68-T72 PolarHBondContact O-OG1 3.09Å; H69-T72 PolarHBondContact O-N 3.06Å; M70-T72 VanDerWaalsContact C-N 3.31Å; M70-T72 PolarHBondContact O-N 3.44Å
73E79.6Confident81.2Confident50 Ų5065.7 Ų65.723%0.23436%0.359CS..THydrogen-bonded Turntrans-934.1-178.9-64.7-60.1130.300113.2Q60 H69 M70 E71 I75 K376Q60-E73 VanDerWaalsContact CD-CD 3.47Å; Q60-E73 VanDerWaalsContact CD-OE1 3.29Å; Q60-E73 PolarHBondContact NE2-OE1 3.17Å; Q60-E73 PolarHBondContact NE2-OE2 2.66Å; Q60-E73 PolarHBondContact OE1-OE1 3.02Å; H69-E73 WeakPolarHBondContact O-CG 3.43Å; H69-E73 PolarHBondContact O-N 3.47Å; M70-E73 CarbonylContact O-C 3.56Å; M70-E73 PolarHBondContact O-N 3.11Å; E71-E73 VanDerWaalsContact C-N 3.35Å; E71-E73 PolarHBondContact O-N 3.1Å; E73-I75 VanDerWaalsContact C-N 3.29Å; E73-I75 HydrophobicContact CB-CD1 4.08Å; E73-I75 HydrophobicContact CB-CG1 3.94Å; E73-I75 PolarHBondContact O-N 2.93Å; E73-K376 IonicContact OE1-NZ 2.78Å; E73-K376 PolarHBondContact OE1-NZ 3.42Å
74G79.5Confident81.6Confident66 Ų6660.1 Ų60.168%0.6834%0.339SS*.THydrogen-bonded Turntrans60.934.6177.300000113.8M70 E71M70-G74 PolarHBondContact O-N 2.67Å; E71-G74 PolarHBondContact O-N 3Å
75I78.9Confident81.7Confident19 Ų1956.7 Ų56.710%0.09732%0.318CS..  trans-84.7129.4179.6-50.1-178.2000108.8V57 K58 M70 E73 T77 V81V57-I75 HydrophobicContact CG1-CD1 3.64Å; K58-I75 HydrophobicContact CD-CD1 3.72Å; K58-I75 HydrophobicContact CD-CG1 3.96Å; K58-I75 HydrophobicContact CG-CD1 3.99Å; M70-I75 HydrophobicContact CB-CB 4.22Å; M70-I75 HydrophobicContact CG-CB 4.25Å; M70-I75 HydrophobicContact CG-CD1 4.38Å; M70-I75 PolarHBondContact O-N 2.89Å; E73-I75 VanDerWaalsContact C-N 3.29Å; E73-I75 HydrophobicContact CB-CD1 4.08Å; E73-I75 HydrophobicContact CB-CG1 3.94Å; E73-I75 PolarHBondContact O-N 2.93Å; I75-T77 PolarHBondContact O-N 2.72Å; I75-V81 HydrophobicContact CG2-CG2 4.12Å
76S75.5Confident81.6Confident52 Ų5253.4 Ų53.436%0.36430%0.304SS..  trans-63.7130.8173.9-177.10000110E78 D79S76-E78 PolarHBondContact O-N 2.9Å; S76-E78 PolarHBondContact OG-N 3.02Å; S76-D79 PolarHBondContact O-N 3.32Å
77T68.9Low81.4Confident95 Ų9556.1 Ų56.158%0.58332%0.316SS*.THydrogen-bonded Turntrans-73-8175.553.40000113.3L4 I75L4-T77 HydrophobicContact CD1-CG2 4.44Å; I75-T77 PolarHBondContact O-N 2.72Å
78E70.7Confident81.3Confident174 Ų17459.8 Ų59.881%0.81332%0.324SS*.THydrogen-bonded Turntrans-86.1-20.2178.1-61.2-173.2165.500112.7S76S76-E78 PolarHBondContact O-N 2.9Å; S76-E78 PolarHBondContact OG-N 3.02Å
79D77.4Confident80.8Confident101 Ų10158.1 Ų58.154%0.5431%0.313SS..SBendtrans-86.8152.3-178.6-68-33.7000111.7S76 V81S76-D79 PolarHBondContact O-N 3.32Å; D79-V81 PolarHBondContact O-N 3.05Å
80V82.7Confident80.5Confident64 Ų6460.7 Ų60.739%0.38833%0.33SS..PPolyproline II helixtrans-70.6120.8170.1-177.40000108.4Q5 R7 P21Q5-V80 HydrophobicContact CB-CG2 4.07Å; Q5-V80 WeakPolarHBondContact O-CA 3.32Å; R7-V80 HydrophobicContact CB-CG1 3.94Å; P21-V80 HydrophobicContact CB-CG1 4.41Å
81V83.8Confident80.2Confident8 Ų863.1 Ų63.15%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-90.9122.1-177-179.10000109.8L4 Q5 A6 R7 V57 M70 I75 D79 I83L4-V81 HydrophobicContact CD2-CG2 3.66Å; Q5-V81 PolarHBondContact O-N 3.06Å; A6-V81 CarbonylContact C-O 3.6Å; A6-V81 WeakPolarHBondContact CA-O 3.44Å; R7-V81 PolarHBondContact N-O 2.83Å; V57-V81 HydrophobicContact CG1-CG1 3.84Å; M70-V81 HydrophobicContact CE-CB 3.74Å; M70-V81 HydrophobicContact CE-CG1 3.52Å; M70-V81 HydrophobicContact CE-CG2 3.44Å; M70-V81 VanDerWaalsContact CE-CG2 3.44Å; M70-V81 HydrophobicContact SD-CG2 4.24Å; I75-V81 HydrophobicContact CG2-CG2 4.12Å; D79-V81 PolarHBondContact O-N 3.05Å; V81-I83 HydrophobicContact CG1-CG1 4.03Å
82E86.3Confident80.2Confident111 Ų11156.2 Ų56.252%0.51932%0.319SS..EExtended strand (participates in β ladder)trans-81.6119.9173.1-59-175.415700109.2R7 F9R7-E82 IonicContact NH1-OE1 2.79Å; R7-E82 WeakPolarHBondContact O-CA 3.2Å; F9-E82 HydrophobicContact CD1-CB 4.27Å; F9-E82 HydrophobicContact CE1-CB 3.88Å
83I86.9Confident80.2Confident0 Ų058.5 Ų58.50%032%0.323CS..EExtended strand (participates in β ladder)trans-116.7112.1-179.7-52.6-175000107.3A6 R7 F8 F9 I24 F55 L56 V57 L66 V81A6-I83 HydrophobicContact CB-CD1 3.71Å; A6-I83 HydrophobicContact CB-CG1 4.21Å; R7-I83 PolarHBondContact O-N 3.34Å; F8-I83 WeakPolarHBondContact CA-O 3Å; F8-I83 HydrophobicContact CD1-CB 4.02Å; F8-I83 HydrophobicContact CD1-CG2 4.27Å; F8-I83 HydrophobicContact CE1-CB 4.17Å; F8-I83 HydrophobicContact CE1-CD1 4.12Å; F8-I83 HydrophobicContact CE1-CG2 4.25Å; F9-I83 PolarHBondContact N-O 3.33Å; F9-I83 VanDerWaalsContact N-O 3.07Å; I24-I83 HydrophobicContact CD1-CD1 4.12Å; F55-I83 HydrophobicContact CB-CG2 3.77Å; F55-I83 HydrophobicContact CD1-CG2 3.64Å; F55-I83 HydrophobicContact CG-CG2 4.13Å; L56-I83 WeakPolarHBondContact O-CA 3.41Å; V57-I83 HydrophobicContact CG2-CG1 4.17Å; V57-I83 HydrophobicContact CG2-CG2 4.22Å; L66-I83 HydrophobicContact CD1-CD1 4.18Å; L66-I83 HydrophobicContact CD2-CD1 4.43Å; V81-I83 HydrophobicContact CG1-CG1 4.03Å
84E87.3Confident80.4Confident26 Ų2660.8 Ų60.812%0.12134%0.342CS..EExtended strand (participates in β ladder)trans-74.1136.9168.3-168.5-176151.700107.9F9 F55 L56 R373F9-E84 HydrophobicContact CD2-CB 4.4Å; F9-E84 HydrophobicContact CD2-CG 4.22Å; F9-E84 HydrophobicContact CE1-CB 3.95Å; F9-E84 HydrophobicContact CE2-CB 3.75Å; F9-E84 HydrophobicContact CE2-CG 3.67Å; F9-E84 HydrophobicContact CZ-CB 3.5Å; F9-E84 VanDerWaalsContact CZ-CB 3.5Å; F9-E84 HydrophobicContact CZ-CG 3.97Å; F9-E84 CarbonylContact O-C 3.55Å; F9-E84 VanDerWaalsContact O-CA 3.26Å; F9-E84 WeakPolarHBondContact O-CA 3.27Å; F55-E84 CarbonylContact C-O 3.46Å; F55-E84 WeakPolarHBondContact CA-O 3.45Å; L56-E84 HydrophobicContact CB-CB 3.79Å; L56-E84 PolarHBondContact N-O 3.43Å; L56-E84 PolarHBondContact O-N 3.32Å; E84-R373 IonicContact OE1-CZ 3.48Å; E84-R373 IonicContact OE1-NH1 2.86Å; E84-R373 PolarHBondContact OE1-NH1 3.05Å
85Y85.8Confident80.5Confident1 Ų162.4 Ų62.40%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-121.4137.216961.8-82000110.7F8 F9 T10 Y15 V17 I37 F53 D54 F55F8-Y85 HydrophobicContact CB-CD1 3.93Å; F8-Y85 HydrophobicContact CB-CE1 3.72Å; F8-Y85 HydrophobicContact CD1-CD1 4.34Å; F9-Y85 VanDerWaalsContact C-CE1 3.48Å; F9-Y85 WeakPolarHBondContact O-CD1 3.36Å; F9-Y85 WeakPolarHBondContact O-CE1 3.4Å; F9-Y85 PolarHBondContact O-N 3.47Å; T10-Y85 WeakPolarHBondContact CB-O 3.31Å; T10-Y85 HydrophobicContact CG2-CE1 4.2Å; T10-Y85 HydrophobicContact CG2-CE2 3.72Å; T10-Y85 VanDerWaalsContact CG2-CZ 3.49Å; T10-Y85 VanDerWaalsContact CG2-OH 3.29Å; T10-Y85 WeakPolarHBondContact CG2-OH 3.47Å; T10-Y85 PolarHBondContact OG1-O 2.84Å; Y15-Y85 WeakPolarHBondContact O-CE2 3.27Å; Y15-Y85 PolarHBondContact O-OH 3.44Å; V17-Y85 WeakPolarHBondContact CG2-OH 3.46Å; V17-Y85 PolarHBondContact N-OH 3.03Å; I37-Y85 HydrophobicContact CD1-CD1 4.21Å; I37-Y85 HydrophobicContact CD1-CE1 4.14Å; I37-Y85 HydrophobicContact CG2-CD2 4.15Å; I37-Y85 HydrophobicContact CG2-CE2 3.93Å; F53-Y85 AromaticContact CD1-CD2 3.87Å; F53-Y85 HydrophobicContact CD1-CD2 3.87Å; F53-Y85 HydrophobicContact CE1-CD2 4.14Å; F53-Y85 HydrophobicContact CE1-CE2 4.47Å; F53-Y85 HydrophobicContact CG-CD2 4.3Å; D54-Y85 WeakPolarHBondContact O-CA 3.4Å; F55-Y85 HydrophobicContact CE1-CG 4.36Å
86V83.3Confident80.7Confident14 Ų1465.7 Ų65.79%0.08535%0.347CS..EExtended strand (participates in β ladder)trans-126.4151179.6-64.20000108.5F53 D54 F61 R88F53-V86 CarbonylContact C-O 3.57Å; F53-V86 VanDerWaalsContact CA-O 3.27Å; F53-V86 WeakPolarHBondContact CA-O 3.38Å; D54-V86 HydrophobicContact CB-CG2 4.05Å; D54-V86 PolarHBondContact N-O 3.22Å; D54-V86 PolarHBondContact O-N 3.47Å; F61-V86 HydrophobicContact CE1-CG2 3.88Å; F61-V86 HydrophobicContact CZ-CG2 4.44Å; V86-R88 PolarHBondContact O-N 3.15Å
87Q81.5Confident81.4Confident57 Ų5765.9 Ų65.927%0.26635%0.348SS..EExtended strand (participates in β ladder)trans-56.6134.8173.1-176.8166.915.700109.6V51 I89 A417V51-Q87 HydrophobicContact CG1-CG 3.75Å; Q87-I89 PolarHBondContact O-N 3.15Å; Q87-A417 HydrophobicContact CG-CB 4.13Å
88R80.1Confident82.5Confident103 Ų10361.7 Ų61.739%0.38932%0.322SS..PPolyproline II helixtrans-57.1127.5-176.9178.4172.8-178.3-178.3-6.3109.7E52 D54 V86E52-R88 HydrophobicContact CB-CB 3.83Å; E52-R88 HydrophobicContact CB-CG 4.49Å; E52-R88 VanDerWaalsContact O-CB 3.26Å; E52-R88 WeakPolarHBondContact O-CB 3.5Å; E52-R88 PolarHBondContact O-N 2.85Å; E52-R88 WeakPolarHBondContact OE2-CD 3.22Å; E52-R88 IonicContact OE2-CZ 3.52Å; E52-R88 IonicContact OE2-NE 2.99Å; E52-R88 IonicContact OE2-NH1 3.1Å; E52-R88 PolarHBondContact OE2-NH1 2.81Å; D54-R88 WeakPolarHBondContact OD2-CA 3.47Å; D54-R88 WeakPolarHBondContact OD2-CG 3.48Å; V86-R88 PolarHBondContact O-N 3.15Å
89I75.4Confident83.4Confident16 Ų1658.7 Ų58.78%0.08231%0.309CS..PPolyproline II helixtrans-77.6130.3174.9-61.9168.7000106.8D54 F61 Q87 L379 Y380 Y414D54-I89 PolarHBondContact OD2-N 2.62Å; F61-I89 HydrophobicContact CZ-CD1 4.44Å; Q87-I89 PolarHBondContact O-N 3.15Å; I89-L379 HydrophobicContact CB-CD1 4.47Å; I89-L379 HydrophobicContact CD1-CD1 3.48Å; I89-L379 VanDerWaalsContact CD1-CD1 3.48Å; I89-L379 HydrophobicContact CD1-CD2 4.34Å; I89-L379 HydrophobicContact CG2-CD1 4.16Å; I89-Y380 HydrophobicContact CG2-CE2 4.1Å; I89-Y380 PolarHBondContact O-OH 2.87Å; I89-Y414 HydrophobicContact CG2-CE2 3.65Å; I89-Y414 WeakPolarHBondContact CG2-OH 3.29Å
90T75.7Confident84.1Confident66 Ų6654.2 Ų54.241%0.40529%0.285SS..PPolyproline II helixtrans-82.7149.5179.148.90000110.8Y380 Y414 S415T90-Y380 WeakPolarHBondContact O-CE2 3.48Å; T90-Y414 WeakPolarHBondContact O-CE2 3.39Å; T90-S415 PolarHBondContact OG1-O 2.82Å
91A77.8Confident84.4Confident53 Ų5357.1 Ų57.144%0.43830%0.298SS..PPolyproline II helixtrans-65.2136.5172.900000109.1E93 Y380A91-E93 PolarHBondContact O-N 2.97Å; A91-Y380 HydrophobicContact CB-CD1 3.95Å; A91-Y380 HydrophobicContact CB-CE1 3.7Å; A91-Y380 HydrophobicContact CB-CE2 4.47Å; A91-Y380 HydrophobicContact CB-CG 4.45Å
92P83.8Confident84.9Confident9 Ų959.5 Ų59.56%0.05831%0.311CS..PPolyproline II helixtrans-61.4129.4173.8-20.832.5000110.8L369 L382 M400 Y414P92-L369 HydrophobicContact CG-CD2 4.36Å; P92-L382 HydrophobicContact CB-CD1 4.34Å; P92-L382 HydrophobicContact CB-CD2 3.92Å; P92-L382 HydrophobicContact CG-CD1 4.33Å; P92-L382 HydrophobicContact CG-CD2 3.95Å; P92-M400 HydrophobicContact CB-CE 3.29Å; P92-M400 HydrophobicContact CG-CE 3.29Å; P92-Y414 HydrophobicContact CB-CD2 4.46Å; P92-Y414 HydrophobicContact CG-CD2 3.95Å
93E83.2Confident85.4Confident143 Ų14359.4 Ų59.467%0.66831%0.306SS*.EExtended strand (participates in β ladder)trans-92.3125.7179.2-66.2-175.6167.300109.4A91 E95 Y412 K413A91-E93 PolarHBondContact O-N 2.97Å; E93-E95 PolarHBondContact O-N 2.77Å; E93-Y412 CarbonylContact O-C 3.46Å; E93-Y412 VanDerWaalsContact O-CA 3.26Å; E93-Y412 WeakPolarHBondContact O-CA 3.27Å; E93-K413 PolarHBondContact N-O 3.38Å; E93-K413 VanDerWaalsContact N-O 3.08Å; E93-K413 PolarHBondContact O-N 3.25Å
94P84Confident85.8Confident99 Ų9959.4 Ų59.464%0.64331%0.306SS*.EExtended strand (participates in β ladder)trans-67.2126.8174.628.4-32.5000109.2Y412P94-Y412 HydrophobicContact CB-CD1 4Å; P94-Y412 HydrophobicContact CB-CE1 4.02Å
95E82.1Confident86.2Confident99 Ų9958.8 Ų58.846%0.46330%0.304SS..EExtended strand (participates in β ladder)trans-103.4-62.7-176.5-166.8175.8-165.600110E93 T411E93-E95 PolarHBondContact O-N 2.77Å; E95-T411 PolarHBondContact N-O 3.22Å
96E83.4Confident86.7Confident89 Ų8958.9 Ų58.942%0.41631%0.305SS..EExtended strand (participates in β ladder)trans-131.1155.8-175.7-67.8-63.715800112.8T411E96-T411 HydrophobicContact CB-CG2 4.41Å; E96-T411 WeakPolarHBondContact CB-OG1 3.38Å; E96-T411 PolarHBondContact N-OG1 2.79Å; E96-T411 PolarHBondContact O-N 3.23Å
97C88.9Confident87.3Confident55 Ų5558.9 Ų58.937%0.37231%0.305SS..EExtended strand (participates in β ladder)trans-127.9105.6171.9175.20000108.8L409 Y410C97-L409 CarbonylContact C-O 3.36Å; C97-L409 WeakPolarHBondContact CA-O 3.34Å; C97-Y410 HydrophobicContact CB-CD1 4.09Å; C97-Y410 HydrophobicContact CB-CE1 3.96Å
98I91.8Very high87.9Confident7 Ų758.6 Ų58.64%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-95.2124.6-177.8-48.4175.8000109.2I114 W126 K408 L409I98-I114 HydrophobicContact CD1-CD1 4.47Å; I98-W126 HydrophobicContact CD1-CB 4.23Å; I98-W126 HydrophobicContact CD1-CD2 4.34Å; I98-W126 HydrophobicContact CD1-CE3 4.44Å; I98-W126 HydrophobicContact CD1-CG 4.24Å; I98-W126 HydrophobicContact CG2-CD2 3.7Å; I98-W126 HydrophobicContact CG2-CE3 3.37Å; I98-W126 HydrophobicContact CG2-CH2 3.42Å; I98-W126 VanDerWaalsContact CG2-CH2 3.42Å; I98-W126 HydrophobicContact CG2-CZ2 3.72Å; I98-W126 HydrophobicContact CG2-CZ3 3.21Å; I98-K408 WeakPolarHBondContact O-CA 3.34Å; I98-L409 HydrophobicContact CB-CB 4.12Å; I98-L409 HydrophobicContact CD1-CD2 3.98Å; I98-L409 PolarHBondContact N-O 2.82Å; I98-L409 PolarHBondContact O-N 3.29Å
99M91.3Very high88.4Confident112 Ų11254.4 Ų54.455%0.55229%0.291SS*.EExtended strand (participates in β ladder)trans-86.7133179.6-64.1-67.4-58.500111.4K408M99-K408 HydrophobicContact CE-CG 4.36Å; M99-K408 HydrophobicContact SD-CD 4.14Å; M99-K408 HydrophobicContact SD-CG 3.54Å; M99-K408 VanDerWaalsContact SD-CG 3.54Å
100H91.1Very high88.9Confident7 Ų756 Ų563%0.03230%0.299CS..  trans-107.8163.4170.1-79.8-112.9000111.1D102 I104 T116 W126 N407H100-D102 WeakPolarHBondContact CB-O 3.38Å; H100-I104 HydrophobicContact CB-CD1 4.43Å; H100-I104 HydrophobicContact CB-CG1 4.17Å; H100-T116 PolarHBondContact CE1-OG1 3.04Å; H100-W126 AromaticContact CD2-CZ2 3.88Å; H100-W126 AromaticContact CE1-CE2 3.91Å; H100-W126 AromaticContact CE1-CZ2 3.67Å; H100-W126 AromaticContact CE1-NE1 3.57Å; H100-W126 AromaticContact NE2-CE2 3.53Å; H100-W126 AromaticContact NE2-CZ2 3.36Å; H100-W126 WeakPolarHBondContact NE2-CZ2 3.37Å; H100-W126 AromaticContact NE2-NE1 3.33Å; H100-W126 PolarHBondContact NE2-NE1 3.23Å; H100-N407 HydrophobicContact CB-CB 4.38Å; H100-N407 WeakPolarHBondContact CB-O 3.4Å; H100-N407 PolarHBondContact N-O 3.02Å; H100-N407 WeakPolarHBondContact O-CB 3.49Å
101D89.8Confident89.2Confident125 Ų12556.1 Ų56.167%0.66830%0.303SS*.SBendtrans-82.1-21.7176.5-62.7-44000112.3R124D101-R124 IonicContact OD2-CZ 3.21Å; D101-R124 IonicContact OD2-NH1 2.96Å; D101-R124 PolarHBondContact OD2-NH1 2.89Å; D101-R124 IonicContact OD2-NH2 3.86Å; D101-R124 PolarHBondContact OD2-NH2 2.74Å
102D94.6Very high89.6Confident57 Ų5758.4 Ų58.431%0.30530%0.304SS..SBendtrans-149180-177.4-151.1-17.8000110.7H100 D120 N407H100-D102 WeakPolarHBondContact CB-O 3.38Å; D102-D120 HydrophobicContact CB-CB 3.91Å; D102-N407 PolarHBondContact O-OD1 3.18Å
103W95.8Very high89.9Confident110 Ų11060.4 Ų60.442%0.41731%0.311SS..  trans-59.2139.7-176.2-60.9-13.2000112.3S118 Y119 F390 A405 N407W103-S118 CarbonylContact O-C 3.58Å; W103-S118 WeakPolarHBondContact O-CA 3.27Å; W103-S118 PolarHBondContact O-OG 3.07Å; W103-Y119 HydrophobicContact CB-CD2 3.7Å; W103-Y119 HydrophobicContact CB-CE2 4.32Å; W103-Y119 HydrophobicContact CB-CG 3.96Å; W103-Y119 HydrophobicContact CE3-CD1 4.11Å; W103-Y119 HydrophobicContact CE3-CE1 4.14Å; W103-Y119 HydrophobicContact CE3-CG 4.4Å; W103-Y119 WeakPolarHBondContact O-CD2 3.4Å; W103-Y119 PolarHBondContact O-N 2.72Å; W103-F390 HydrophobicContact CB-CE2 4.16Å; W103-F390 HydrophobicContact CD2-CE2 4.19Å; W103-F390 AromaticContact CE3-CE2 3.99Å; W103-F390 HydrophobicContact CE3-CE2 3.99Å; W103-F390 HydrophobicContact CE3-CZ 4.24Å; W103-F390 HydrophobicContact CG-CE2 4.28Å; W103-A405 HydrophobicContact CD2-CB 4.35Å; W103-A405 HydrophobicContact CG-CB 4.36Å; W103-A405 PolarHBondContact NE1-O 2.83Å; W103-A405 VanDerWaalsContact NE1-O 3.15Å; W103-N407 PolarHBondContact N-OD1 2.9Å
104I96.3Very high90.4Very high0 Ų053.6 Ų53.60%028%0.279CS..EExtended strand (participates in β ladder)trans-90119.4176.9-56.4171000108.3H100 G117 F390 G404 K408 L409H100-I104 HydrophobicContact CB-CD1 4.43Å; H100-I104 HydrophobicContact CB-CG1 4.17Å; I104-G117 CarbonylContact C-O 3.58Å; I104-G117 WeakPolarHBondContact CA-O 3.39Å; I104-F390 WeakPolarHBondContact O-CD2 3.5Å; I104-G404 PolarHBondContact N-O 3.04Å; I104-G404 VanDerWaalsContact N-O 3.09Å; I104-K408 VanDerWaalsContact CD1-C 3.42Å; I104-K408 WeakPolarHBondContact CD1-O 3.3Å; I104-L409 HydrophobicContact CD1-CB 3.81Å; I104-L409 HydrophobicContact CD1-CD1 4.33Å
105S95.4Very high90.9Very high12 Ų1248.9 Ų48.98%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-83.6-41.4-178.163.30000112.8G117 V143 K144S105-G117 PolarHBondContact N-O 3.02Å; S105-G117 PolarHBondContact OG-O 2.81Å; S105-V143 WeakPolarHBondContact CB-O 3.33Å; S105-V143 PolarHBondContact OG-O 3.23Å; S105-K144 WeakPolarHBondContact CB-O 3.48Å; S105-K144 PolarHBondContact OG-O 3.38Å
106S95.5Very high91.6Very high4 Ų444.2 Ų44.23%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-153.4151.7-169.5560000110T116 G117 D145 V146 C391S106-T116 WeakPolarHBondContact O-CA 3.4Å; S106-G117 PolarHBondContact O-N 3.09Å; S106-D145 WeakPolarHBondContact CB-OD1 3.26Å; S106-D145 VanDerWaalsContact OG-CA 3.28Å; S106-D145 WeakPolarHBondContact OG-CA 3.37Å; S106-V146 WeakPolarHBondContact OG-CG2 3.36Å; S106-V146 PolarHBondContact OG-N 3.38Å; S106-C391 VanDerWaalsContact C-SG 3.57Å
107V95.9Very high92.2Very high13 Ų1340 Ų408%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-139.7135.4175.563.40000108.3I114 L115 T116 C391 D393 L401 L409V107-I114 HydrophobicContact CG2-CG2 3.71Å; V107-L115 WeakPolarHBondContact CA-O 3.38Å; V107-T116 HydrophobicContact CG2-CG2 4.1Å; V107-C391 HydrophobicContact CG1-CB 4.11Å; V107-D393 HydrophobicContact CG1-CB 3.88Å; V107-L401 HydrophobicContact CG1-CB 4.19Å; V107-L401 HydrophobicContact CG2-CB 4.08Å; V107-L401 HydrophobicContact CG2-CD1 3.77Å; V107-L409 HydrophobicContact CB-CD1 4.11Å; V107-L409 HydrophobicContact CG1-CD1 4.48Å; V107-L409 HydrophobicContact CG2-CD1 3.83Å; V107-L409 HydrophobicContact CG2-CD2 4.36Å
108E94.6Very high92.6Very high52 Ų5237.3 Ų37.324%0.24319%0.189CC..EExtended strand (participates in β ladder)trans-139.4126168.3-166.9178.5123.100108.5L115 V146 A147 W148 D393E108-L115 PolarHBondContact N-O 3.33Å; E108-L115 WeakPolarHBondContact O-CA 3.33Å; E108-L115 WeakPolarHBondContact O-CB 3.4Å; E108-L115 PolarHBondContact O-N 2.91Å; E108-V146 HydrophobicContact CB-CG2 4.45Å; E108-A147 WeakPolarHBondContact OE2-CA 3.36Å; E108-A147 WeakPolarHBondContact OE2-CB 3.32Å; E108-W148 PolarHBondContact O-NE1 3.19Å; E108-W148 WeakPolarHBondContact OE1-CB 3.36Å; E108-W148 PolarHBondContact OE1-N 2.88Å; E108-D393 WeakPolarHBondContact CA-OD2 3.26Å
109A90.6Very high92.7Very high14 Ų1439.8 Ų39.812%0.11620%0.198CC..EExtended strand (participates in β ladder)trans-117.7154.1178.100000113.3W113 I114 D393 T395 L401A109-W113 WeakPolarHBondContact CA-O 3.42Å; A109-I114 HydrophobicContact CB-CB 4.34Å; A109-I114 HydrophobicContact CB-CG1 3.98Å; A109-I114 HydrophobicContact CB-CG2 4.25Å; A109-D393 PolarHBondContact N-OD2 3Å; A109-T395 HydrophobicContact CB-CG2 3.52Å; A109-L401 HydrophobicContact CB-CD1 3.15Å; A109-L401 HydrophobicContact CB-CG 4.48Å
110D85.6Confident92.8Very high50 Ų5036.4 Ų36.427%0.26718%0.182SC..  trans-117.1-176.9172.2-1718.1000108.6E112 W113 R151D110-E112 PolarHBondContact O-N 2.94Å; D110-E112 VanDerWaalsContact O-N 3.09Å; D110-W113 PolarHBondContact N-O 2.77Å; D110-R151 WeakPolarHBondContact OD2-CD 3.28Å; D110-R151 IonicContact OD2-CZ 2.67Å; D110-R151 IonicContact OD2-NE 2.71Å; D110-R151 IonicContact OD2-NH1 3.08Å; D110-R151 PolarHBondContact OD2-NH1 3.02Å
111S81.9Confident93Very high68 Ų6840.4 Ų40.448%0.47620%0.2SC..SBendtrans-53.9-20.6175.452.50000115.8L128S111-L128 WeakPolarHBondContact O-CD1 3.44Å
112E85.6Confident93.2Very high101 Ų10135.4 Ų35.447%0.47217%0.174SC..SBendtrans-133.2-27.7-174.5-66.8-178.5151.500114.8D110 L128 R151D110-E112 PolarHBondContact O-N 2.94Å; D110-E112 VanDerWaalsContact O-N 3.09Å; E112-L128 WeakPolarHBondContact O-CG 3.41Å; E112-L128 PolarHBondContact O-N 3.08Å; E112-R151 IonicContact OE2-CZ 3.02Å; E112-R151 IonicContact OE2-NH1 3.45Å; E112-R151 PolarHBondContact OE2-NH1 3.3Å; E112-R151 IonicContact OE2-NH2 3.85Å; E112-R151 PolarHBondContact OE2-NH2 2.81Å
113W90.8Very high93.2Very high52 Ų5232.8 Ų32.820%0.19716%0.16CC..EExtended strand (participates in β ladder)trans-133.5150.1-171.2-48.6101.6000110.9A109 D110 I125 W126 V133 W148 R151 W172A109-W113 WeakPolarHBondContact CA-O 3.42Å; D110-W113 PolarHBondContact N-O 2.77Å; W113-I125 HydrophobicContact CB-CG2 4.09Å; W113-I125 HydrophobicContact CE3-CG2 4.48Å; W113-I125 HydrophobicContact CG-CG2 4.46Å; W113-W126 CarbonylContact C-O 3.57Å; W113-W126 VanDerWaalsContact CA-O 3.29Å; W113-W126 WeakPolarHBondContact CA-O 3.44Å; W113-V133 HydrophobicContact CE3-CG2 3.83Å; W113-V133 HydrophobicContact CH2-CG2 4.45Å; W113-V133 HydrophobicContact CZ3-CG1 4.46Å; W113-V133 HydrophobicContact CZ3-CG2 3.44Å; W113-V133 VanDerWaalsContact CZ3-CG2 3.44Å; W113-W148 HydrophobicContact CB-CZ2 4.1Å; W113-R151 VanDerWaalsContact CD1-NH1 3.28Å; W113-R151 VanDerWaalsContact CD1-NH2 3.27Å; W113-W172 AromaticContact CD1-CZ3 3.85Å; W113-W172 AromaticContact CD2-CH2 3.68Å; W113-W172 HydrophobicContact CD2-CH2 3.68Å; W113-W172 HydrophobicContact CD2-CZ3 4.21Å; W113-W172 AromaticContact CE2-CH2 3.65Å; W113-W172 HydrophobicContact CE3-CH2 4.16Å; W113-W172 AromaticContact CG-CH2 3.97Å; W113-W172 HydrophobicContact CG-CH2 3.97Å; W113-W172 HydrophobicContact CG-CZ3 4Å; W113-W172 HydrophobicContact CZ2-CH2 4.09Å; W113-W172 AromaticContact NE1-CH2 3.91Å
114I93.8Very high93.2Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-115.1124.3176.2-53.1167.3000107.6I98 V107 A109 T116 I125 W126 L128 L399 L401 L409 T411I98-I114 HydrophobicContact CD1-CD1 4.47Å; V107-I114 HydrophobicContact CG2-CG2 3.71Å; A109-I114 HydrophobicContact CB-CB 4.34Å; A109-I114 HydrophobicContact CB-CG1 3.98Å; A109-I114 HydrophobicContact CB-CG2 4.25Å; I114-T116 HydrophobicContact CG2-CG2 4.15Å; I114-I125 CarbonylContact O-C 3.57Å; I114-I125 WeakPolarHBondContact O-CA 3.37Å; I114-W126 HydrophobicContact CB-CB 4.25Å; I114-W126 PolarHBondContact N-O 2.84Å; I114-W126 PolarHBondContact O-N 2.82Å; I114-L128 HydrophobicContact CD1-CD2 4.28Å; I114-L128 HydrophobicContact CG1-CD2 4.02Å; I114-L399 HydrophobicContact CD1-CD2 4.38Å; I114-L401 HydrophobicContact CD1-CD1 4.38Å; I114-L401 HydrophobicContact CD1-CD2 3.99Å; I114-L401 HydrophobicContact CG1-CD1 4.17Å; I114-L401 HydrophobicContact CG2-CD1 3.77Å; I114-L409 HydrophobicContact CD1-CD2 4.5Å; I114-L409 HydrophobicContact CG2-CD2 3.74Å; I114-T411 HydrophobicContact CD1-CG2 4.15Å
115L95.2Very high93.1Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-101.3132.8173.2-178.363.4000108.8V107 E108 A123 R124 I125 V146 W148 L158V107-L115 WeakPolarHBondContact CA-O 3.38Å; E108-L115 PolarHBondContact N-O 3.33Å; E108-L115 WeakPolarHBondContact O-CA 3.33Å; E108-L115 WeakPolarHBondContact O-CB 3.4Å; E108-L115 PolarHBondContact O-N 2.91Å; L115-A123 HydrophobicContact CD1-CB 4.27Å; L115-R124 WeakPolarHBondContact CA-O 3.5Å; L115-I125 HydrophobicContact CD1-CG1 3.91Å; L115-V146 HydrophobicContact CB-CG2 4.43Å; L115-V146 HydrophobicContact CD2-CB 3.77Å; L115-V146 HydrophobicContact CD2-CG2 4.08Å; L115-V146 HydrophobicContact CG-CB 3.87Å; L115-V146 HydrophobicContact CG-CG1 4.44Å; L115-V146 HydrophobicContact CG-CG2 3.83Å; L115-W148 HydrophobicContact CB-CZ2 3.75Å; L115-W148 HydrophobicContact CD2-CD2 4.42Å; L115-L158 HydrophobicContact CD2-CB 4.06Å
116T96.4Very high92.9Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-130.3135.2-178.148.40000109.8H100 S106 V107 I114 A123 R124 W126 L409H100-T116 PolarHBondContact CE1-OG1 3.04Å; S106-T116 WeakPolarHBondContact O-CA 3.4Å; V107-T116 HydrophobicContact CG2-CG2 4.1Å; I114-T116 HydrophobicContact CG2-CG2 4.15Å; T116-A123 CarbonylContact O-C 3.5Å; T116-A123 WeakPolarHBondContact O-CA 3.39Å; T116-A123 WeakPolarHBondContact O-CB 3.27Å; T116-R124 PolarHBondContact N-O 3.49Å; T116-R124 PolarHBondContact O-N 3.08Å; T116-R124 PolarHBondContact OG1-O 3.26Å; T116-W126 PolarHBondContact OG1-NE1 3.2Å; T116-L409 HydrophobicContact CG2-CD1 4.31Å; T116-L409 HydrophobicContact CG2-CD2 3.87Å
117G95.9Very high92.7Very high0 Ų029.7 Ų29.70%015%0.148CC..EExtended strand (participates in β ladder)trans-95.8142.6167.900000110.5I104 S105 S106I104-G117 CarbonylContact C-O 3.58Å; I104-G117 WeakPolarHBondContact CA-O 3.39Å; S105-G117 PolarHBondContact N-O 3.02Å; S105-G117 PolarHBondContact OG-O 2.81Å; S106-G117 PolarHBondContact O-N 3.09Å
118S96.2Very high92.3Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-132.7152.2-176.3178.30000112.6W103 D120 K121 T122 V143W103-S118 CarbonylContact O-C 3.58Å; W103-S118 WeakPolarHBondContact O-CA 3.27Å; W103-S118 PolarHBondContact O-OG 3.07Å; S118-D120 WeakPolarHBondContact CB-OD1 3.38Å; S118-D120 PolarHBondContact O-N 3.48Å; S118-D120 PolarHBondContact OG-N 2.73Å; S118-D120 PolarHBondContact OG-OD1 3.21Å; S118-D120 VanDerWaalsContact OG-OD1 3.07Å; S118-D120 PolarHBondContact OG-OD2 2.84Å; S118-K121 PolarHBondContact O-N 2.84Å; S118-T122 PolarHBondContact N-O 3.47Å; S118-V143 PolarHBondContact O-N 2.9Å
119Y95.2Very high91.8Very high59 Ų5935.5 Ų35.523%0.23118%0.176CC..THydrogen-bonded Turntrans-68.4-13.9173.4-81.8-114.3000113W103 K121 V142W103-Y119 HydrophobicContact CB-CD2 3.7Å; W103-Y119 HydrophobicContact CB-CE2 4.32Å; W103-Y119 HydrophobicContact CB-CG 3.96Å; W103-Y119 HydrophobicContact CE3-CD1 4.11Å; W103-Y119 HydrophobicContact CE3-CE1 4.14Å; W103-Y119 HydrophobicContact CE3-CG 4.4Å; W103-Y119 WeakPolarHBondContact O-CD2 3.4Å; W103-Y119 PolarHBondContact O-N 2.72Å; Y119-K121 PolarHBondContact O-N 2.94Å; Y119-K121 VanDerWaalsContact O-N 3.1Å; Y119-V142 HydrophobicContact CD1-CB 4.42Å; Y119-V142 HydrophobicContact CD1-CG1 3.66Å; Y119-V142 HydrophobicContact CD1-CG2 3.87Å; Y119-V142 HydrophobicContact CD2-CG1 3.99Å; Y119-V142 HydrophobicContact CE1-CG1 3.91Å; Y119-V142 HydrophobicContact CE2-CG1 4.24Å; Y119-V142 HydrophobicContact CG-CG1 3.7Å; Y119-V142 HydrophobicContact CG-CG2 4.32Å
120D93.4Very high91.5Very high40 Ų4035.8 Ų35.821%0.21418%0.18CC..THydrogen-bonded Turntrans-72.15.417173.93.9000114.3D102 S118 T122 R124D102-D120 HydrophobicContact CB-CB 3.91Å; S118-D120 WeakPolarHBondContact CB-OD1 3.38Å; S118-D120 PolarHBondContact O-N 3.48Å; S118-D120 PolarHBondContact OG-N 2.73Å; S118-D120 PolarHBondContact OG-OD1 3.21Å; S118-D120 VanDerWaalsContact OG-OD1 3.07Å; S118-D120 PolarHBondContact OG-OD2 2.84Å; D120-T122 PolarHBondContact O-N 3.28Å; D120-T122 WeakPolarHBondContact OD1-CA 3.4Å; D120-T122 VanDerWaalsContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CB 3.2Å; D120-T122 PolarHBondContact OD1-N 2.82Å; D120-T122 PolarHBondContact OD1-OG1 3.32Å; D120-T122 PolarHBondContact OD2-OG1 3.4Å; D120-R124 IonicContact OD2-CZ 2.71Å; D120-R124 IonicContact OD2-NE 3.62Å; D120-R124 IonicContact OD2-NH2 2.98Å; D120-R124 PolarHBondContact OD2-NH2 3.35Å
121K94.3Very high91.6Very high91 Ų9139.5 Ų39.540%0.39619%0.194SC..SBendtrans74.29.7-180-40.7173.6176.8-163.50114.1S118 Y119 S140 D141S118-K121 PolarHBondContact O-N 2.84Å; Y119-K121 PolarHBondContact O-N 2.94Å; Y119-K121 VanDerWaalsContact O-N 3.1Å; K121-S140 WeakPolarHBondContact CD-O 3.46Å; K121-S140 PolarHBondContact NZ-O 3.4Å; K121-D141 WeakPolarHBondContact CB-O 3.39Å
122T94.4Very high91.9Very high20 Ų2039.5 Ų39.512%0.12320%0.198CC..EExtended strand (participates in β ladder)trans-109.9155.9176.875.50000111.1S118 D120 T135 V136 A137S118-T122 PolarHBondContact N-O 3.47Å; D120-T122 PolarHBondContact O-N 3.28Å; D120-T122 WeakPolarHBondContact OD1-CA 3.4Å; D120-T122 VanDerWaalsContact OD1-CB 3.28Å; D120-T122 WeakPolarHBondContact OD1-CB 3.2Å; D120-T122 PolarHBondContact OD1-N 2.82Å; D120-T122 PolarHBondContact OD1-OG1 3.32Å; D120-T122 PolarHBondContact OD2-OG1 3.4Å; T122-T135 HydrophobicContact CG2-CG2 3.93Å; T122-V136 WeakPolarHBondContact CA-O 3.26Å; T122-A137 HydrophobicContact CG2-CB 4.35Å
123A94.8Very high92.2Very high2 Ų236.5 Ų36.52%0.01719%0.187CC..EExtended strand (participates in β ladder)trans-108.5147.9158.800000108.9L115 T116 V136 V146 T160L115-A123 HydrophobicContact CD1-CB 4.27Å; T116-A123 CarbonylContact O-C 3.5Å; T116-A123 WeakPolarHBondContact O-CA 3.39Å; T116-A123 WeakPolarHBondContact O-CB 3.27Å; A123-V136 HydrophobicContact CB-CB 4.18Å; A123-V136 PolarHBondContact N-O 2.99Å; A123-V136 PolarHBondContact O-N 3.07Å; A123-V146 HydrophobicContact CB-CG1 4.25Å; A123-T160 HydrophobicContact CB-CG2 3.71Å
124R94.8Very high92.1Very high30 Ų3034.9 Ų34.911%0.11318%0.183CC..EExtended strand (participates in β ladder)trans-126.4139.5-179.5-61.7179.3-170.7-160.8-0.3110.6D101 L115 T116 D120 W126 T134 T135D101-R124 IonicContact OD2-CZ 3.21Å; D101-R124 IonicContact OD2-NH1 2.96Å; D101-R124 PolarHBondContact OD2-NH1 2.89Å; D101-R124 IonicContact OD2-NH2 3.86Å; D101-R124 PolarHBondContact OD2-NH2 2.74Å; L115-R124 WeakPolarHBondContact CA-O 3.5Å; T116-R124 PolarHBondContact N-O 3.49Å; T116-R124 PolarHBondContact O-N 3.08Å; T116-R124 PolarHBondContact OG1-O 3.26Å; D120-R124 IonicContact OD2-CZ 2.71Å; D120-R124 IonicContact OD2-NE 3.62Å; D120-R124 IonicContact OD2-NH2 2.98Å; D120-R124 PolarHBondContact OD2-NH2 3.35Å; R124-W126 HydrophobicContact CB-CZ2 4.08Å; R124-W126 HydrophobicContact CG-CZ2 4.47Å; R124-T134 WeakPolarHBondContact CA-O 3.35Å; R124-T135 HydrophobicContact CG-CG2 4.24Å
125I94.1Very high92.1Very high0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-104.9126173.6-55173.4000107.6W113 I114 L115 V133 T134 V136 W148 L158 W172W113-I125 HydrophobicContact CB-CG2 4.09Å; W113-I125 HydrophobicContact CE3-CG2 4.48Å; W113-I125 HydrophobicContact CG-CG2 4.46Å; I114-I125 CarbonylContact O-C 3.57Å; I114-I125 WeakPolarHBondContact O-CA 3.37Å; L115-I125 HydrophobicContact CD1-CG1 3.91Å; I125-V133 HydrophobicContact CG2-CB 4.45Å; I125-V133 WeakPolarHBondContact O-CB 3.44Å; I125-V133 PolarHBondContact O-N 3.32Å; I125-T134 PolarHBondContact N-O 2.98Å; I125-T134 PolarHBondContact O-N 2.77Å; I125-V136 HydrophobicContact CD1-CG2 4.49Å; I125-W148 HydrophobicContact CD1-CH2 4.29Å; I125-W148 HydrophobicContact CG2-CH2 4.42Å; I125-L158 HydrophobicContact CD1-CD2 3.71Å; I125-L158 HydrophobicContact CG1-CD2 4.47Å; I125-W172 HydrophobicContact CD1-CB 4.39Å; I125-W172 HydrophobicContact CD1-CD2 3.56Å; I125-W172 HydrophobicContact CD1-CE3 3.79Å; I125-W172 HydrophobicContact CD1-CG 3.82Å; I125-W172 HydrophobicContact CD1-CZ2 4.48Å; I125-W172 HydrophobicContact CD1-CZ3 4.34Å; I125-W172 HydrophobicContact CG2-CH2 3.92Å; I125-W172 HydrophobicContact CG2-CZ2 4.27Å; I125-W172 HydrophobicContact CG2-CZ3 4.08Å
126W93Very high91.9Very high15 Ų1538.5 Ų38.56%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-118.5150.2179.7-51.790.3000110.3I98 H100 W113 I114 T116 R124 K131 A132I98-W126 HydrophobicContact CD1-CB 4.23Å; I98-W126 HydrophobicContact CD1-CD2 4.34Å; I98-W126 HydrophobicContact CD1-CE3 4.44Å; I98-W126 HydrophobicContact CD1-CG 4.24Å; I98-W126 HydrophobicContact CG2-CD2 3.7Å; I98-W126 HydrophobicContact CG2-CE3 3.37Å; I98-W126 HydrophobicContact CG2-CH2 3.42Å; I98-W126 VanDerWaalsContact CG2-CH2 3.42Å; I98-W126 HydrophobicContact CG2-CZ2 3.72Å; I98-W126 HydrophobicContact CG2-CZ3 3.21Å; H100-W126 AromaticContact CD2-CZ2 3.88Å; H100-W126 AromaticContact CE1-CE2 3.91Å; H100-W126 AromaticContact CE1-CZ2 3.67Å; H100-W126 AromaticContact CE1-NE1 3.57Å; H100-W126 AromaticContact NE2-CE2 3.53Å; H100-W126 AromaticContact NE2-CZ2 3.36Å; H100-W126 WeakPolarHBondContact NE2-CZ2 3.37Å; H100-W126 AromaticContact NE2-NE1 3.33Å; H100-W126 PolarHBondContact NE2-NE1 3.23Å; W113-W126 CarbonylContact C-O 3.57Å; W113-W126 VanDerWaalsContact CA-O 3.29Å; W113-W126 WeakPolarHBondContact CA-O 3.44Å; I114-W126 HydrophobicContact CB-CB 4.25Å; I114-W126 PolarHBondContact N-O 2.84Å; I114-W126 PolarHBondContact O-N 2.82Å; T116-W126 PolarHBondContact OG1-NE1 3.2Å; R124-W126 HydrophobicContact CB-CZ2 4.08Å; R124-W126 HydrophobicContact CG-CZ2 4.47Å; W126-K131 WeakPolarHBondContact CA-O 3.38Å; W126-A132 HydrophobicContact CE3-CB 3.73Å; W126-A132 VanDerWaalsContact CE3-N 3.31Å; W126-A132 HydrophobicContact CH2-CB 4Å; W126-A132 HydrophobicContact CZ3-CB 3.41Å; W126-A132 VanDerWaalsContact CZ3-CB 3.41Å
127S91Very high91.6Very high16 Ų1641.8 Ų41.811%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-74.3161.9161.868.40000110.5E129 G130 K131S127-E129 PolarHBondContact O-N 2.87Å; S127-E129 PolarHBondContact OG-N 3.35Å; S127-G130 PolarHBondContact O-N 2.98Å; S127-K131 PolarHBondContact N-O 2.87Å; S127-K131 WeakPolarHBondContact OG-CB 3.41Å; S127-K131 PolarHBondContact OG-N 2.78Å; S127-K131 VanDerWaalsContact OG-N 3.17Å
128L86.1Confident91.2Very high60 Ų6043.1 Ų43.131%0.31425%0.246SC..THydrogen-bonded Turntrans-57.5-29172-59.5-174000113.1S111 E112 I114 G130 L399S111-L128 WeakPolarHBondContact O-CD1 3.44Å; E112-L128 WeakPolarHBondContact O-CG 3.41Å; E112-L128 PolarHBondContact O-N 3.08Å; I114-L128 HydrophobicContact CD1-CD2 4.28Å; I114-L128 HydrophobicContact CG1-CD2 4.02Å; L128-G130 PolarHBondContact O-N 3.24Å; L128-L399 HydrophobicContact CD2-CD2 3.81Å
129E84.5Confident90.9Very high127 Ų12744 Ų4459%0.59325%0.25SS*.THydrogen-bonded Turntrans-73.84.6174.5-55.1178.7174.100113.7S127 K131S127-E129 PolarHBondContact O-N 2.87Å; S127-E129 PolarHBondContact OG-N 3.35Å; E129-K131 PolarHBondContact O-N 2.96Å; E129-K131 IonicContact OE2-NZ 2.72Å; E129-K131 PolarHBondContact OE2-NZ 3.47Å
130G83.7Confident90.7Very high20 Ų2044.3 Ų44.321%0.20626%0.261CS..SBendtrans77.513.8179.300000115.6S127 L128S127-G130 PolarHBondContact O-N 2.98Å; L128-G130 PolarHBondContact O-N 3.24Å
131K88.5Confident90.8Very high129 Ų12945.2 Ų45.256%0.56127%0.265SS*.  trans-84.6129.5176.6-66.3172.8-177.4147.90110.7W126 S127 E129 V133W126-K131 WeakPolarHBondContact CA-O 3.38Å; S127-K131 PolarHBondContact N-O 2.87Å; S127-K131 WeakPolarHBondContact OG-CB 3.41Å; S127-K131 PolarHBondContact OG-N 2.78Å; S127-K131 VanDerWaalsContact OG-N 3.17Å; E129-K131 PolarHBondContact O-N 2.96Å; E129-K131 IonicContact OE2-NZ 2.72Å; E129-K131 PolarHBondContact OE2-NZ 3.47Å; K131-V133 PolarHBondContact O-N 3.18Å
132A89.1Confident90.8Very high68 Ų6841.8 Ų41.856%0.56225%0.252SS*.EExtended strand (participates in β ladder)trans-66.2118.217300000109.9W126W126-A132 HydrophobicContact CE3-CB 3.73Å; W126-A132 VanDerWaalsContact CE3-N 3.31Å; W126-A132 HydrophobicContact CH2-CB 4Å; W126-A132 HydrophobicContact CZ3-CB 3.41Å; W126-A132 VanDerWaalsContact CZ3-CB 3.41Å
133V90.3Very high90.9Very high38 Ų3840.8 Ų40.823%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-93.3-55.6179.9179.40000109.6W113 I125 K131 W172 N177W113-V133 HydrophobicContact CE3-CG2 3.83Å; W113-V133 HydrophobicContact CH2-CG2 4.45Å; W113-V133 HydrophobicContact CZ3-CG1 4.46Å; W113-V133 HydrophobicContact CZ3-CG2 3.44Å; W113-V133 VanDerWaalsContact CZ3-CG2 3.44Å; I125-V133 HydrophobicContact CG2-CB 4.45Å; I125-V133 WeakPolarHBondContact O-CB 3.44Å; I125-V133 PolarHBondContact O-N 3.32Å; K131-V133 PolarHBondContact O-N 3.18Å; V133-W172 HydrophobicContact CG1-CZ2 3.78Å; V133-N177 VanDerWaalsContact CG1-OD1 3.29Å; V133-N177 WeakPolarHBondContact CG1-OD1 3.44Å; V133-N177 PolarHBondContact O-ND2 2.95Å
134T90.4Very high91Very high17 Ų1743.4 Ų43.410%0.10426%0.257CS..EExtended strand (participates in β ladder)trans-146.3147.5-178.9-86.50000112.2R124 I125 V136 N177 V179R124-T134 WeakPolarHBondContact CA-O 3.35Å; I125-T134 PolarHBondContact N-O 2.98Å; I125-T134 PolarHBondContact O-N 2.77Å; T134-V136 HydrophobicContact CG2-CG2 4.33Å; T134-N177 PolarHBondContact OG1-ND2 2.83Å; T134-N177 VanDerWaalsContact OG1-ND2 3.15Å; T134-N177 PolarHBondContact OG1-OD1 3.31Å; T134-V179 HydrophobicContact CG2-CB 4.49Å; T134-V179 HydrophobicContact CG2-CG1 3.61Å; T134-V179 HydrophobicContact CG2-CG2 4.05Å
135T92.8Very high91.1Very high74 Ų7443.6 Ų43.645%0.45426%0.261SS..EExtended strand (participates in β ladder)trans-106121.1166.9-50.70000109.6T122 R124T122-T135 HydrophobicContact CG2-CG2 3.93Å; R124-T135 HydrophobicContact CG-CG2 4.24Å
136V91.3Very high91.2Very high3 Ų343.7 Ų43.72%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-90.6100.6174.5-174.20000107.8T122 A123 I125 T134 W170 V179T122-V136 WeakPolarHBondContact CA-O 3.26Å; A123-V136 HydrophobicContact CB-CB 4.18Å; A123-V136 PolarHBondContact N-O 2.99Å; A123-V136 PolarHBondContact O-N 3.07Å; I125-V136 HydrophobicContact CD1-CG2 4.49Å; T134-V136 HydrophobicContact CG2-CG2 4.33Å; V136-W170 HydrophobicContact CG1-CD2 3.45Å; V136-W170 VanDerWaalsContact CG1-CD2 3.45Å; V136-W170 HydrophobicContact CG1-CE3 3.71Å; V136-W170 HydrophobicContact CG1-CG 4.01Å; V136-W170 HydrophobicContact CG1-CH2 3.82Å; V136-W170 HydrophobicContact CG1-CZ2 3.54Å; V136-W170 HydrophobicContact CG1-CZ3 3.9Å; V136-V179 HydrophobicContact CG2-CG1 4.05Å
137A90.6Very high91.3Very high68 Ų6843 Ų4356%0.56226%0.258SS*.EExtended strand (participates in β ladder)trans-106.3127.2175.800000110T122T122-A137 HydrophobicContact CG2-CB 4.35Å
138G85.9Confident91.4Very high29 Ų2943 Ų4330%0.29926%0.256SS..  trans-176.7-23.8176.800000115.5L243G138-L243 WeakPolarHBondContact O-CD1 3.44Å
139H91.2Very high91.5Very high19 Ų1940.8 Ų40.89%0.08825%0.245CC..  trans-70.8149.8174.9-76.1-68.9000112.1D141 V143 T160 S162 D164H139-D141 WeakPolarHBondContact CB-O 3.42Å; H139-V143 HydrophobicContact CB-CG2 4.4Å; H139-T160 PolarHBondContact CD2-OG1 3.37Å; H139-T160 WeakPolarHBondContact NE2-CB 3.41Å; H139-T160 PolarHBondContact NE2-O 2.62Å; H139-T160 PolarHBondContact NE2-OG1 3.21Å; H139-S162 VanDerWaalsContact CE1-CB 3.42Å; H139-S162 WeakPolarHBondContact CE1-CB 3.41Å; H139-S162 WeakPolarHBondContact ND1-CB 3.49Å; H139-D164 IonicContact CG-OD2 3.83Å; H139-D164 IonicContact ND1-OD1 3.94Å; H139-D164 PolarHBondContact ND1-OD1 3.39Å; H139-D164 IonicContact ND1-OD2 2.7Å; H139-D164 PolarHBondContact ND1-OD2 2.64Å
140S91.1Very high91.2Very high65 Ų6540.5 Ų40.546%0.45524%0.242SC..SBendtrans-90.2-14.9176.961.80000113.1K121 D164K121-S140 WeakPolarHBondContact CD-O 3.46Å; K121-S140 PolarHBondContact NZ-O 3.4Å; S140-D164 PolarHBondContact N-OD2 3.01Å; S140-D164 VanDerWaalsContact N-OD2 3.09Å; S140-D164 WeakPolarHBondContact OG-CB 3.32Å; S140-D164 PolarHBondContact OG-OD2 3.28Å
141D94.3Very high90.6Very high58 Ų5842.7 Ų42.731%0.3124%0.244SC..SBendtrans-141.9179.7-178.4-145.2-22.2000111.2K121 H139 V143 S162 L163 D164K121-D141 WeakPolarHBondContact CB-O 3.39Å; H139-D141 WeakPolarHBondContact CB-O 3.42Å; D141-V143 PolarHBondContact O-N 3.22Å; D141-S162 PolarHBondContact O-OG 2.96Å; D141-S162 VanDerWaalsContact O-OG 3.08Å; D141-L163 HydrophobicContact CB-CB 4.02Å; D141-L163 HydrophobicContact CB-CG 4.41Å; D141-D164 HydrophobicContact CB-CB 4.02Å
142V95.4Very high89.5Confident19 Ų1942 Ų4212%0.11525%0.246CC..  trans-49134.5-175.3171.20000111.8Y119 K144 S162 L163Y119-V142 HydrophobicContact CD1-CB 4.42Å; Y119-V142 HydrophobicContact CD1-CG1 3.66Å; Y119-V142 HydrophobicContact CD1-CG2 3.87Å; Y119-V142 HydrophobicContact CD2-CG1 3.99Å; Y119-V142 HydrophobicContact CE1-CG1 3.91Å; Y119-V142 HydrophobicContact CE2-CG1 4.24Å; Y119-V142 HydrophobicContact CG-CG1 3.7Å; Y119-V142 HydrophobicContact CG-CG2 4.32Å; V142-K144 HydrophobicContact CG1-CD 4.16Å; V142-S162 VanDerWaalsContact O-CA 3.22Å; V142-S162 WeakPolarHBondContact O-CA 3.35Å; V142-S162 VanDerWaalsContact O-CB 3.32Å; V142-S162 WeakPolarHBondContact O-CB 3.38Å; V142-S162 PolarHBondContact O-OG 2.88Å; V142-L163 HydrophobicContact CB-CB 4.29Å; V142-L163 HydrophobicContact CB-CD2 4.49Å; V142-L163 PolarHBondContact O-N 3.09Å
143V96.6Very high88.7Confident0 Ų041.7 Ų41.70%025%0.249CC..EExtended strand (participates in β ladder)trans-78.4128.1166.6-179.70000107.4S105 S118 H139 D141 V146 A161S105-V143 WeakPolarHBondContact CB-O 3.33Å; S105-V143 PolarHBondContact OG-O 3.23Å; S118-V143 PolarHBondContact O-N 2.9Å; H139-V143 HydrophobicContact CB-CG2 4.4Å; D141-V143 PolarHBondContact O-N 3.22Å; V143-V146 HydrophobicContact CG1-CG1 3.78Å; V143-A161 CarbonylContact C-O 3.54Å; V143-A161 WeakPolarHBondContact CA-O 3.37Å
144K96.1Very high88Confident56 Ų5643.9 Ų43.924%0.24326%0.259CS..EExtended strand (participates in β ladder)trans-100.6-41.2-177.1-73.2-64.9-62.9170.10111.7S105 V142 A161 V192 D193S105-K144 WeakPolarHBondContact CB-O 3.48Å; S105-K144 PolarHBondContact OG-O 3.38Å; V142-K144 HydrophobicContact CG1-CD 4.16Å; K144-A161 PolarHBondContact N-O 2.87Å; K144-V192 VanDerWaalsContact CB-O 3.3Å; K144-V192 WeakPolarHBondContact CB-O 3.43Å; K144-D193 VanDerWaalsContact CE-OD1 3.24Å; K144-D193 WeakPolarHBondContact CE-OD1 3.17Å
145D96.8Very high87.7Confident35 Ų3545.2 Ų45.219%0.18727%0.267CS..EExtended strand (participates in β ladder)trans-146152.1-177.3-159.312.4000112.1S106 A161 A194 I195S106-D145 WeakPolarHBondContact CB-OD1 3.26Å; S106-D145 VanDerWaalsContact OG-CA 3.28Å; S106-D145 WeakPolarHBondContact OG-CA 3.37Å; D145-A161 HydrophobicContact CB-CB 4.37Å; D145-A161 PolarHBondContact N-O 3.43Å; D145-A161 PolarHBondContact O-N 2.82Å; D145-A194 VanDerWaalsContact OD2-CA 3.29Å; D145-A194 WeakPolarHBondContact OD2-CA 3.33Å; D145-I195 HydrophobicContact CB-CG1 3.91Å; D145-I195 PolarHBondContact OD2-N 3.2Å
146V96.4Very high87.6Confident1 Ų141.7 Ų41.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-136.8144.2-177-60.30000109.8S106 E108 L115 A123 V143 L159 T160S106-V146 WeakPolarHBondContact OG-CG2 3.36Å; S106-V146 PolarHBondContact OG-N 3.38Å; E108-V146 HydrophobicContact CB-CG2 4.45Å; L115-V146 HydrophobicContact CB-CG2 4.43Å; L115-V146 HydrophobicContact CD2-CB 3.77Å; L115-V146 HydrophobicContact CD2-CG2 4.08Å; L115-V146 HydrophobicContact CG-CB 3.87Å; L115-V146 HydrophobicContact CG-CG1 4.44Å; L115-V146 HydrophobicContact CG-CG2 3.83Å; A123-V146 HydrophobicContact CB-CG1 4.25Å; V143-V146 HydrophobicContact CG1-CG1 3.78Å; V146-L159 WeakPolarHBondContact CA-O 3.24Å; V146-T160 HydrophobicContact CG1-CG2 4.2Å
147A95.2Very high87.6Confident0 Ų042.7 Ų42.70%025%0.251CS..EExtended strand (participates in β ladder)trans-149.5148.3177.100000114E108 L158 L159 I195 T197E108-A147 WeakPolarHBondContact OE2-CA 3.36Å; E108-A147 WeakPolarHBondContact OE2-CB 3.32Å; A147-L158 WeakPolarHBondContact O-CA 3.43Å; A147-L159 PolarHBondContact N-O 2.87Å; A147-L159 PolarHBondContact O-N 3.16Å; A147-I195 HydrophobicContact CB-CD1 3.76Å; A147-I195 HydrophobicContact CB-CG1 4.05Å; A147-T197 HydrophobicContact CB-CG2 4.1Å
148W93.1Very high87.7Confident16 Ų1639.5 Ų39.56%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-87134.2168.7-66.2101.9000110.4E108 W113 L115 I125 L158 W172 T197E108-W148 PolarHBondContact O-NE1 3.19Å; E108-W148 WeakPolarHBondContact OE1-CB 3.36Å; E108-W148 PolarHBondContact OE1-N 2.88Å; W113-W148 HydrophobicContact CB-CZ2 4.1Å; L115-W148 HydrophobicContact CB-CZ2 3.75Å; L115-W148 HydrophobicContact CD2-CD2 4.42Å; I125-W148 HydrophobicContact CD1-CH2 4.29Å; I125-W148 HydrophobicContact CG2-CH2 4.42Å; W148-L158 HydrophobicContact CE3-CB 4.04Å; W148-L158 HydrophobicContact CH2-CD2 4.44Å; W148-L158 HydrophobicContact CZ3-CB 4.12Å; W148-L158 HydrophobicContact CZ3-CD2 4.19Å; W148-W172 AromaticContact CH2-CE3 3.85Å; W148-W172 HydrophobicContact CH2-CE3 3.85Å; W148-W172 AromaticContact CH2-CZ3 3.92Å; W148-W172 HydrophobicContact CH2-CZ3 3.92Å; W148-W172 HydrophobicContact CZ3-CE3 4.08Å; W148-W172 HydrophobicContact CZ3-CZ3 4.44Å; W148-T197 WeakPolarHBondContact O-CG2 2.95Å; W148-T197 PolarHBondContact O-OG1 3.17Å
149V88.1Confident88.1Confident14 Ų1438.1 Ų38.19%0.08521%0.21CC..EExtended strand (participates in β ladder)trans-96.3-59.5179.11760000110.9L157 L159 L169 T197 G201 A218V149-L157 HydrophobicContact CB-CB 3.91Å; V149-L157 HydrophobicContact CG1-CB 4.39Å; V149-L157 PolarHBondContact N-O 2.9Å; V149-L159 HydrophobicContact CG2-CB 4.5Å; V149-L159 HydrophobicContact CG2-CD1 3.35Å; V149-L159 HydrophobicContact CG2-CD2 4.45Å; V149-L159 HydrophobicContact CG2-CG 3.47Å; V149-L159 VanDerWaalsContact CG2-CG 3.47Å; V149-L169 HydrophobicContact CG2-CD1 4.1Å; V149-T197 HydrophobicContact CB-CG2 4.42Å; V149-T197 HydrophobicContact CG2-CG2 3.84Å; V149-G201 VanDerWaalsContact CG1-O 3.29Å; V149-G201 WeakPolarHBondContact CG1-O 3.38Å; V149-A218 HydrophobicContact CG1-CB 3.54Å; V149-A218 HydrophobicContact CG2-CB 4.42Å
150K78.9Confident88.4Confident122 Ų12237.2 Ų37.253%0.5321%0.206SC..EExtended strand (participates in β ladder)trans-159.2139.8-174.1-174.4172.9179.8178.80109.1L157K150-L157 PolarHBondContact O-N 2.87Å
151R70.2Confident88.6Confident65 Ų6534.1 Ų34.125%0.24519%0.185CC..EExtended strand (participates in β ladder)trans-114.1124.9170.2-60.7-170.267.8-160.3-13.1109.3D110 E112 W113 S156D110-R151 WeakPolarHBondContact OD2-CD 3.28Å; D110-R151 IonicContact OD2-CZ 2.67Å; D110-R151 IonicContact OD2-NE 2.71Å; D110-R151 IonicContact OD2-NH1 3.08Å; D110-R151 PolarHBondContact OD2-NH1 3.02Å; E112-R151 IonicContact OE2-CZ 3.02Å; E112-R151 IonicContact OE2-NH1 3.45Å; E112-R151 PolarHBondContact OE2-NH1 3.3Å; E112-R151 IonicContact OE2-NH2 3.85Å; E112-R151 PolarHBondContact OE2-NH2 2.81Å; W113-R151 VanDerWaalsContact CD1-NH1 3.28Å; W113-R151 VanDerWaalsContact CD1-NH2 3.27Å; R151-S156 PolarHBondContact NE-OG 2.87Å; R151-S156 VanDerWaalsContact NE-OG 3.15Å
152D65.6Low88.7Confident116 Ų11631.4 Ų31.462%0.6217%0.17SC*.EExtended strand (participates in β ladder)trans-120.380.1172.3-169.614.4000107.7L154 T155D152-L154 PolarHBondContact O-N 3.49Å; D152-T155 PolarHBondContact N-O 2.97Å; D152-T155 PolarHBondContact O-N 2.9Å
153G72.1Confident88.7Confident60 Ų6033.9 Ų33.962%0.61918%0.182SC*.THydrogen-bonded Turntrans49.9-91-178.800000114.1
154L76.9Confident88.5Confident84 Ų8435.3 Ų35.344%0.4419%0.19SC..THydrogen-bonded Turntrans-78.3-26.4-175.1-64.9172.6000114.3D152 N173 S174 E175D152-L154 PolarHBondContact O-N 3.49Å; L154-N173 WeakPolarHBondContact O-CA 3.3Å; L154-S174 PolarHBondContact O-N 2.81Å; L154-S174 PolarHBondContact O-OG 3.46Å; L154-E175 HydrophobicContact CD2-CG 3.59Å; L154-E175 VanDerWaalsContact CD2-OE1 3.27Å; L154-E175 WeakPolarHBondContact CD2-OE1 3.49Å
155T83.8Confident88.3Confident45 Ų4536.7 Ų36.728%0.27620%0.197SC..EExtended strand (participates in β ladder)trans-118.6128.2-17950.50000110.7D152 W172 N173D152-T155 PolarHBondContact N-O 2.97Å; D152-T155 PolarHBondContact O-N 2.9Å; T155-W172 CarbonylContact C-O 3.5Å; T155-W172 WeakPolarHBondContact CA-O 3.41Å; T155-N173 HydrophobicContact CG2-CB 4.48Å
156S89.1Confident88.2Confident0 Ų035.2 Ų35.20%019%0.19CC..EExtended strand (participates in β ladder)trans-118.5136.5177.4-56.80000109.5R151 W172R151-S156 PolarHBondContact NE-OG 2.87Å; R151-S156 VanDerWaalsContact NE-OG 3.15Å; S156-W172 PolarHBondContact N-O 3.29Å; S156-W172 PolarHBondContact O-N 2.95Å
157L91.6Very high88.1Confident25 Ų2535.2 Ų35.213%0.13119%0.19CC..EExtended strand (participates in β ladder)trans-98.9129.3173.9-68.5175.3000109.3V149 K150 L169 W170 E171 P220V149-L157 HydrophobicContact CB-CB 3.91Å; V149-L157 HydrophobicContact CG1-CB 4.39Å; V149-L157 PolarHBondContact N-O 2.9Å; K150-L157 PolarHBondContact O-N 2.87Å; L157-L169 HydrophobicContact CB-CD1 4.31Å; L157-W170 WeakPolarHBondContact CA-O 3.16Å; L157-E171 HydrophobicContact CD2-CB 3.99Å; L157-E171 HydrophobicContact CD2-CG 4.22Å; L157-P220 HydrophobicContact CD1-CG 3.71Å; L157-P220 HydrophobicContact CD2-CG 3.9Å; L157-P220 HydrophobicContact CG-CG 4.48Å
158L93.6Very high88Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-130.5149.7179.26490.4000110.7L115 I125 A147 W148 T160 W170 W172L115-L158 HydrophobicContact CD2-CB 4.06Å; I125-L158 HydrophobicContact CD1-CD2 3.71Å; I125-L158 HydrophobicContact CG1-CD2 4.47Å; A147-L158 WeakPolarHBondContact O-CA 3.43Å; W148-L158 HydrophobicContact CE3-CB 4.04Å; W148-L158 HydrophobicContact CH2-CD2 4.44Å; W148-L158 HydrophobicContact CZ3-CB 4.12Å; W148-L158 HydrophobicContact CZ3-CD2 4.19Å; L158-T160 HydrophobicContact CD1-CG2 4Å; L158-W170 HydrophobicContact CD1-CB 3.45Å; L158-W170 VanDerWaalsContact CD1-CB 3.45Å; L158-W170 HydrophobicContact CD1-CG 3.58Å; L158-W170 HydrophobicContact CD2-CB 4.48Å; L158-W170 HydrophobicContact CG-CB 3.69Å; L158-W170 HydrophobicContact CG-CG 4.38Å; L158-W170 PolarHBondContact N-O 2.8Å; L158-W170 PolarHBondContact O-N 3.3Å; L158-W172 HydrophobicContact CD2-CB 4.06Å
159L95.1Very high88.1Confident0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-115.7140.7178.3-72.2165.7000109.7V146 A147 V149 V167 L168 L169 I195 T197 F204V146-L159 WeakPolarHBondContact CA-O 3.24Å; A147-L159 PolarHBondContact N-O 2.87Å; A147-L159 PolarHBondContact O-N 3.16Å; V149-L159 HydrophobicContact CG2-CB 4.5Å; V149-L159 HydrophobicContact CG2-CD1 3.35Å; V149-L159 HydrophobicContact CG2-CD2 4.45Å; V149-L159 HydrophobicContact CG2-CG 3.47Å; V149-L159 VanDerWaalsContact CG2-CG 3.47Å; L159-V167 HydrophobicContact CB-CG1 4.46Å; L159-V167 HydrophobicContact CD2-CG1 3.92Å; L159-L168 WeakPolarHBondContact CA-O 3.34Å; L159-L169 HydrophobicContact CD2-CB 3.91Å; L159-L169 HydrophobicContact CD2-CD1 3.65Å; L159-L169 HydrophobicContact CD2-CG 4.37Å; L159-L169 HydrophobicContact CG-CD1 4.04Å; L159-I195 HydrophobicContact CB-CD1 3.71Å; L159-T197 HydrophobicContact CD1-CG2 3.69Å; L159-F204 HydrophobicContact CD1-CB 3.72Å; L159-F204 HydrophobicContact CD1-CD1 3.69Å; L159-F204 HydrophobicContact CD1-CD2 3.87Å; L159-F204 HydrophobicContact CD1-CE1 4.2Å; L159-F204 HydrophobicContact CD1-CE2 4.38Å; L159-F204 HydrophobicContact CD1-CG 3.49Å; L159-F204 VanDerWaalsContact CD1-CG 3.49Å; L159-F204 HydrophobicContact CD2-CD1 4.13Å; L159-F204 HydrophobicContact CD2-CE1 3.79Å; L159-F204 HydrophobicContact CD2-CE2 4.31Å; L159-F204 HydrophobicContact CD2-CZ 3.89Å
160T95.9Very high88.3Confident1 Ų134.4 Ų34.41%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-131.6127.7172.158.30000109.1A123 H139 V146 L158 V167 L168 W170A123-T160 HydrophobicContact CB-CG2 3.71Å; H139-T160 PolarHBondContact CD2-OG1 3.37Å; H139-T160 WeakPolarHBondContact NE2-CB 3.41Å; H139-T160 PolarHBondContact NE2-O 2.62Å; H139-T160 PolarHBondContact NE2-OG1 3.21Å; V146-T160 HydrophobicContact CG1-CG2 4.2Å; L158-T160 HydrophobicContact CD1-CG2 4Å; T160-V167 CarbonylContact O-C 3.59Å; T160-V167 WeakPolarHBondContact O-CA 3.16Å; T160-L168 PolarHBondContact N-O 3.41Å; T160-L168 PolarHBondContact O-N 2.89Å; T160-W170 PolarHBondContact OG1-NE1 3.32Å
161A96Very high88.9Confident0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-106.9140.8176.100000110.3V143 K144 D145 V167 V192 I195V143-A161 CarbonylContact C-O 3.54Å; V143-A161 WeakPolarHBondContact CA-O 3.37Å; K144-A161 PolarHBondContact N-O 2.87Å; D145-A161 HydrophobicContact CB-CB 4.37Å; D145-A161 PolarHBondContact N-O 3.43Å; D145-A161 PolarHBondContact O-N 2.82Å; A161-V167 HydrophobicContact CB-CG2 4.16Å; A161-V192 HydrophobicContact CB-CB 4.03Å; A161-V192 HydrophobicContact CB-CG1 3.72Å; A161-I195 HydrophobicContact CB-CD1 4.24Å; A161-I195 HydrophobicContact CB-CG1 4.35Å; A161-I195 HydrophobicContact CB-CG2 3.57Å
162S96.1Very high89.9Confident0 Ų027.6 Ų27.60%016%0.158CC..EExtended strand (participates in β ladder)trans-137.1159.7-172.4175.90000113.2H139 D141 V142 D164 Q165 T166 V192H139-S162 VanDerWaalsContact CE1-CB 3.42Å; H139-S162 WeakPolarHBondContact CE1-CB 3.41Å; H139-S162 WeakPolarHBondContact ND1-CB 3.49Å; D141-S162 PolarHBondContact O-OG 2.96Å; D141-S162 VanDerWaalsContact O-OG 3.08Å; V142-S162 VanDerWaalsContact O-CA 3.22Å; V142-S162 WeakPolarHBondContact O-CA 3.35Å; V142-S162 VanDerWaalsContact O-CB 3.32Å; V142-S162 WeakPolarHBondContact O-CB 3.38Å; V142-S162 PolarHBondContact O-OG 2.88Å; S162-D164 WeakPolarHBondContact CB-OD1 3.34Å; S162-D164 PolarHBondContact O-N 3.47Å; S162-D164 PolarHBondContact OG-N 2.84Å; S162-D164 VanDerWaalsContact OG-N 3.15Å; S162-Q165 PolarHBondContact O-N 3.09Å; S162-T166 PolarHBondContact N-O 2.53Å; S162-V192 PolarHBondContact O-N 2.81Å
163L95.1Very high91Very high71 Ų7123.7 Ų23.737%0.37214%0.137SC..THydrogen-bonded Turntrans-58.9-18.4167.2-176.558.1000112.7D141 V142 Q165 S191D141-L163 HydrophobicContact CB-CB 4.02Å; D141-L163 HydrophobicContact CB-CG 4.41Å; V142-L163 HydrophobicContact CB-CB 4.29Å; V142-L163 HydrophobicContact CB-CD2 4.49Å; V142-L163 PolarHBondContact O-N 3.09Å; L163-Q165 PolarHBondContact O-N 2.93Å; L163-Q165 VanDerWaalsContact O-N 3.07Å; L163-S191 VanDerWaalsContact CD1-CB 3.44Å; L163-S191 WeakPolarHBondContact CD1-OG 3.46Å
164D92.3Very high91.5Very high31 Ų3122.6 Ų22.617%0.16612%0.12CC..THydrogen-bonded Turntrans-72.18.1174.373.514.9000115.1H139 S140 D141 S162 T166H139-D164 IonicContact CG-OD2 3.83Å; H139-D164 IonicContact ND1-OD1 3.94Å; H139-D164 PolarHBondContact ND1-OD1 3.39Å; H139-D164 IonicContact ND1-OD2 2.7Å; H139-D164 PolarHBondContact ND1-OD2 2.64Å; S140-D164 PolarHBondContact N-OD2 3.01Å; S140-D164 VanDerWaalsContact N-OD2 3.09Å; S140-D164 WeakPolarHBondContact OG-CB 3.32Å; S140-D164 PolarHBondContact OG-OD2 3.28Å; D141-D164 HydrophobicContact CB-CB 4.02Å; S162-D164 WeakPolarHBondContact CB-OD1 3.34Å; S162-D164 PolarHBondContact O-N 3.47Å; S162-D164 PolarHBondContact OG-N 2.84Å; S162-D164 VanDerWaalsContact OG-N 3.15Å; D164-T166 PolarHBondContact O-N 3.16Å; D164-T166 WeakPolarHBondContact OD1-CB 3.44Å; D164-T166 PolarHBondContact OD1-N 2.79Å; D164-T166 PolarHBondContact OD1-OG1 3.19Å
165Q93.4Very high91.8Very high84 Ų8425.5 Ų25.539%0.39313%0.131SC..SBendtrans70.812.5177.2-39.7-178.5-6.900113.8S162 L163 T189 G190S162-Q165 PolarHBondContact O-N 3.09Å; L163-Q165 PolarHBondContact O-N 2.93Å; L163-Q165 VanDerWaalsContact O-N 3.07Å; Q165-T189 PolarHBondContact NE2-O 3.22Å; Q165-G190 WeakPolarHBondContact CA-O 3.46Å; Q165-G190 WeakPolarHBondContact CB-O 3.35Å; Q165-G190 WeakPolarHBondContact CG-O 3.28Å
166T93.3Very high91.8Very high5 Ų531.9 Ų31.93%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-116.9151.7179.575.40000112S162 D164 R186S162-T166 PolarHBondContact N-O 2.53Å; D164-T166 PolarHBondContact O-N 3.16Å; D164-T166 WeakPolarHBondContact OD1-CB 3.44Å; D164-T166 PolarHBondContact OD1-N 2.79Å; D164-T166 PolarHBondContact OD1-OG1 3.19Å; T166-R186 HydrophobicContact CG2-CG 4.05Å
167V94.7Very high91.6Very high1 Ų135.1 Ų35.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-111.9124.3162.9-173.90000107.6L159 T160 A161 C185 V192 I195 F204L159-V167 HydrophobicContact CB-CG1 4.46Å; L159-V167 HydrophobicContact CD2-CG1 3.92Å; T160-V167 CarbonylContact O-C 3.59Å; T160-V167 WeakPolarHBondContact O-CA 3.16Å; A161-V167 HydrophobicContact CB-CG2 4.16Å; V167-C185 HydrophobicContact CB-CB 4.01Å; V167-C185 PolarHBondContact N-O 3.07Å; V167-C185 VanDerWaalsContact O-CB 3.23Å; V167-C185 WeakPolarHBondContact O-CB 3.42Å; V167-C185 PolarHBondContact O-N 2.9Å; V167-C185 PolarHBondContact O-SG 3.1Å; V167-V192 HydrophobicContact CG2-CB 4.31Å; V167-V192 HydrophobicContact CG2-CG1 3.77Å; V167-V192 HydrophobicContact CG2-CG2 4.24Å; V167-I195 HydrophobicContact CG1-CG2 4.34Å; V167-I195 HydrophobicContact CG2-CG2 4.24Å; V167-F204 HydrophobicContact CB-CE2 4.26Å; V167-F204 HydrophobicContact CB-CZ 4.46Å; V167-F204 HydrophobicContact CG1-CE2 3.8Å; V167-F204 HydrophobicContact CG1-CZ 4.06Å; V167-F204 HydrophobicContact CG2-CE2 4.5Å
168L94.1Very high91.3Very high5 Ų538.4 Ų38.43%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-99.8128.9177.6-66.4178.4000109.6L159 T160 W170 H183 C184L159-L168 WeakPolarHBondContact CA-O 3.34Å; T160-L168 PolarHBondContact N-O 3.41Å; T160-L168 PolarHBondContact O-N 2.89Å; L168-W170 HydrophobicContact CB-CZ2 4.07Å; L168-W170 VanDerWaalsContact CB-NE1 3.27Å; L168-W170 HydrophobicContact CD1-CH2 4.26Å; L168-W170 HydrophobicContact CD1-CZ2 3.41Å; L168-W170 VanDerWaalsContact CD1-CZ2 3.41Å; L168-W170 HydrophobicContact CG-CZ2 4.36Å; L168-H183 WeakPolarHBondContact CA-O 3.31Å; L168-C184 HydrophobicContact CD2-CB 3.73Å
169L93.6Very high91.1Very high0 Ų040.4 Ų40.40%019%0.194CC..EExtended strand (participates in β ladder)trans-96.3122.4168.6179.366.9000108.6V149 L157 L159 R182 H183 A218 P220V149-L169 HydrophobicContact CG2-CD1 4.1Å; L157-L169 HydrophobicContact CB-CD1 4.31Å; L159-L169 HydrophobicContact CD2-CB 3.91Å; L159-L169 HydrophobicContact CD2-CD1 3.65Å; L159-L169 HydrophobicContact CD2-CG 4.37Å; L159-L169 HydrophobicContact CG-CD1 4.04Å; L169-R182 PolarHBondContact O-N 3.29Å; L169-H183 HydrophobicContact CB-CB 4.06Å; L169-H183 HydrophobicContact CD2-CB 4.48Å; L169-H183 PolarHBondContact N-O 3.26Å; L169-H183 PolarHBondContact O-N 2.84Å; L169-A218 WeakPolarHBondContact CD2-O 3.26Å; L169-P220 HydrophobicContact CD2-CG 4.49Å
170W92.6Very high90.8Very high7 Ų745.1 Ų45.13%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-114.4144.1-177-57.688.4000110.4V136 L157 L158 T160 L168 K180 A181 L243V136-W170 HydrophobicContact CG1-CD2 3.45Å; V136-W170 VanDerWaalsContact CG1-CD2 3.45Å; V136-W170 HydrophobicContact CG1-CE3 3.71Å; V136-W170 HydrophobicContact CG1-CG 4.01Å; V136-W170 HydrophobicContact CG1-CH2 3.82Å; V136-W170 HydrophobicContact CG1-CZ2 3.54Å; V136-W170 HydrophobicContact CG1-CZ3 3.9Å; L157-W170 WeakPolarHBondContact CA-O 3.16Å; L158-W170 HydrophobicContact CD1-CB 3.45Å; L158-W170 VanDerWaalsContact CD1-CB 3.45Å; L158-W170 HydrophobicContact CD1-CG 3.58Å; L158-W170 HydrophobicContact CD2-CB 4.48Å; L158-W170 HydrophobicContact CG-CB 3.69Å; L158-W170 HydrophobicContact CG-CG 4.38Å; L158-W170 PolarHBondContact N-O 2.8Å; L158-W170 PolarHBondContact O-N 3.3Å; T160-W170 PolarHBondContact OG1-NE1 3.32Å; L168-W170 HydrophobicContact CB-CZ2 4.07Å; L168-W170 VanDerWaalsContact CB-NE1 3.27Å; L168-W170 HydrophobicContact CD1-CH2 4.26Å; L168-W170 HydrophobicContact CD1-CZ2 3.41Å; L168-W170 VanDerWaalsContact CD1-CZ2 3.41Å; L168-W170 HydrophobicContact CG-CZ2 4.36Å; W170-K180 WeakPolarHBondContact CA-O 3.36Å; W170-A181 HydrophobicContact CD2-CB 4.37Å; W170-A181 HydrophobicContact CE3-CB 3.79Å; W170-A181 HydrophobicContact CH2-CB 4.03Å; W170-A181 HydrophobicContact CZ3-CB 3.6Å; W170-L243 HydrophobicContact CH2-CD1 4.42Å
171E91.3Very high90.4Very high44 Ų4446.1 Ų46.121%0.20622%0.223CC..EExtended strand (participates in β ladder)trans-106.7121165.8-173.3-177125.900108.8L157 V179 K180 R182L157-E171 HydrophobicContact CD2-CB 3.99Å; L157-E171 HydrophobicContact CD2-CG 4.22Å; E171-V179 CarbonylContact O-C 3.51Å; E171-V179 WeakPolarHBondContact O-CA 3.42Å; E171-K180 PolarHBondContact N-O 3.47Å; E171-K180 PolarHBondContact O-N 3.28Å; E171-R182 HydrophobicContact CB-CG 3.9Å; E171-R182 IonicContact OE1-CZ 3.78Å; E171-R182 IonicContact OE1-NH2 2.8Å; E171-R182 PolarHBondContact OE1-NH2 3.49Å; E171-R182 IonicContact OE2-CZ 2.81Å; E171-R182 IonicContact OE2-NE 3.66Å; E171-R182 PolarHBondContact OE2-NE 2.8Å; E171-R182 IonicContact OE2-NH2 2.95Å; E171-R182 PolarHBondContact OE2-NH2 2.89Å
172W91.9Very high89.9Confident1 Ų149.9 Ų49.90%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-108.1123.6175.2176.146.9000109.9W113 I125 V133 W148 T155 S156 L158 N177 Q178 V179W113-W172 AromaticContact CD1-CZ3 3.85Å; W113-W172 AromaticContact CD2-CH2 3.68Å; W113-W172 HydrophobicContact CD2-CH2 3.68Å; W113-W172 HydrophobicContact CD2-CZ3 4.21Å; W113-W172 AromaticContact CE2-CH2 3.65Å; W113-W172 HydrophobicContact CE3-CH2 4.16Å; W113-W172 AromaticContact CG-CH2 3.97Å; W113-W172 HydrophobicContact CG-CH2 3.97Å; W113-W172 HydrophobicContact CG-CZ3 4Å; W113-W172 HydrophobicContact CZ2-CH2 4.09Å; W113-W172 AromaticContact NE1-CH2 3.91Å; I125-W172 HydrophobicContact CD1-CB 4.39Å; I125-W172 HydrophobicContact CD1-CD2 3.56Å; I125-W172 HydrophobicContact CD1-CE3 3.79Å; I125-W172 HydrophobicContact CD1-CG 3.82Å; I125-W172 HydrophobicContact CD1-CZ2 4.48Å; I125-W172 HydrophobicContact CD1-CZ3 4.34Å; I125-W172 HydrophobicContact CG2-CH2 3.92Å; I125-W172 HydrophobicContact CG2-CZ2 4.27Å; I125-W172 HydrophobicContact CG2-CZ3 4.08Å; V133-W172 HydrophobicContact CG1-CZ2 3.78Å; W148-W172 AromaticContact CH2-CE3 3.85Å; W148-W172 HydrophobicContact CH2-CE3 3.85Å; W148-W172 AromaticContact CH2-CZ3 3.92Å; W148-W172 HydrophobicContact CH2-CZ3 3.92Å; W148-W172 HydrophobicContact CZ3-CE3 4.08Å; W148-W172 HydrophobicContact CZ3-CZ3 4.44Å; T155-W172 CarbonylContact C-O 3.5Å; T155-W172 WeakPolarHBondContact CA-O 3.41Å; S156-W172 PolarHBondContact N-O 3.29Å; S156-W172 PolarHBondContact O-N 2.95Å; L158-W172 HydrophobicContact CD2-CB 4.06Å; W172-N177 PolarHBondContact NE1-OD1 3.07Å; W172-Q178 WeakPolarHBondContact CA-O 3.16Å; W172-V179 HydrophobicContact CB-CG1 3.93Å; W172-V179 VanDerWaalsContact CD1-CG1 3.48Å; W172-V179 HydrophobicContact CG-CG1 3.95Å
173N88.6Confident89.5Confident34 Ų3450 Ų5018%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-99117.2171.2-175.7-62.5000109.2L154 T155 E175 R176 N177 Q178L154-N173 WeakPolarHBondContact O-CA 3.3Å; T155-N173 HydrophobicContact CG2-CB 4.48Å; N173-E175 PolarHBondContact OD1-N 3.17Å; N173-R176 PolarHBondContact OD1-N 3.44Å; N173-N177 WeakPolarHBondContact O-CA 3.03Å; N173-N177 PolarHBondContact O-N 2.87Å; N173-Q178 PolarHBondContact N-O 3.31Å; N173-Q178 PolarHBondContact O-N 2.87Å
174S83.4Confident89.3Confident37 Ų3746.8 Ų46.826%0.25922%0.221SC..THydrogen-bonded Turntrans-70.1-39-173.656.20000113.1L154 N177L154-S174 PolarHBondContact O-N 2.81Å; L154-S174 PolarHBondContact O-OG 3.46Å; S174-N177 PolarHBondContact O-N 3.02Å
175E82.9Confident89.3Confident145 Ų14545.3 Ų45.368%0.67821%0.214SC*.THydrogen-bonded Turntrans-64.6-43.7178.1-88.3-178.2178.500112.9L154 N173L154-E175 HydrophobicContact CD2-CG 3.59Å; L154-E175 VanDerWaalsContact CD2-OE1 3.27Å; L154-E175 WeakPolarHBondContact CD2-OE1 3.49Å; N173-E175 PolarHBondContact OD1-N 3.17Å
176R82.8Confident89.1Confident179 Ų17946.4 Ų46.468%0.67521%0.214SC*.THydrogen-bonded Turntrans-90-10.3-177.7-64.1-172.7178.3-162.50.3112.9N173 Q178N173-R176 PolarHBondContact OD1-N 3.44Å; R176-Q178 HydrophobicContact CB-CB 4.4Å; R176-Q178 HydrophobicContact CB-CG 4.16Å; R176-Q178 PolarHBondContact O-N 3.32Å
177N85.4Confident88.9Confident67 Ų6747.8 Ų47.836%0.35823%0.23SC..THydrogen-bonded Turntrans48.445.5-172.2-157.529.2000112.6V133 T134 W172 N173 S174V133-N177 VanDerWaalsContact CG1-OD1 3.29Å; V133-N177 WeakPolarHBondContact CG1-OD1 3.44Å; V133-N177 PolarHBondContact O-ND2 2.95Å; T134-N177 PolarHBondContact OG1-ND2 2.83Å; T134-N177 VanDerWaalsContact OG1-ND2 3.15Å; T134-N177 PolarHBondContact OG1-OD1 3.31Å; W172-N177 PolarHBondContact NE1-OD1 3.07Å; N173-N177 WeakPolarHBondContact O-CA 3.03Å; N173-N177 PolarHBondContact O-N 2.87Å; S174-N177 PolarHBondContact O-N 3.02Å
178Q85.9Confident88.7Confident95 Ų9548.3 Ų48.344%0.44423%0.232SC..EExtended strand (participates in β ladder)trans-114.4132.5-178.3-76.1-178.711.400110.2W172 N173 R176W172-Q178 WeakPolarHBondContact CA-O 3.16Å; N173-Q178 PolarHBondContact N-O 3.31Å; N173-Q178 PolarHBondContact O-N 2.87Å; R176-Q178 HydrophobicContact CB-CB 4.4Å; R176-Q178 HydrophobicContact CB-CG 4.16Å; R176-Q178 PolarHBondContact O-N 3.32Å
179V88.8Confident88.6Confident41 Ų4152.7 Ų52.725%0.24826%0.259CS..EExtended strand (participates in β ladder)trans-110.1133.5174.8-690000110.1T134 V136 E171 W172T134-V179 HydrophobicContact CG2-CB 4.49Å; T134-V179 HydrophobicContact CG2-CG1 3.61Å; T134-V179 HydrophobicContact CG2-CG2 4.05Å; V136-V179 HydrophobicContact CG2-CG1 4.05Å; E171-V179 CarbonylContact O-C 3.51Å; E171-V179 WeakPolarHBondContact O-CA 3.42Å; W172-V179 HydrophobicContact CB-CG1 3.93Å; W172-V179 VanDerWaalsContact CD1-CG1 3.48Å; W172-V179 HydrophobicContact CG-CG1 3.95Å
180K88.2Confident88.6Confident100 Ų10053.1 Ų53.144%0.43526%0.264SS..EExtended strand (participates in β ladder)trans-129.7123.1179.7-66-179.8-176.7173.90109.5W170 E171 R182W170-K180 WeakPolarHBondContact CA-O 3.36Å; E171-K180 PolarHBondContact N-O 3.47Å; E171-K180 PolarHBondContact O-N 3.28Å; K180-R182 PolarHBondContact O-N 3.15Å
181A88.3Confident88.6Confident22 Ų2253.3 Ų53.318%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-68.3116.5169.200000108.9W170 L243W170-A181 HydrophobicContact CD2-CB 4.37Å; W170-A181 HydrophobicContact CE3-CB 3.79Å; W170-A181 HydrophobicContact CH2-CB 4.03Å; W170-A181 HydrophobicContact CZ3-CB 3.6Å; A181-L243 HydrophobicContact CB-CB 3.75Å
182R86.4Confident88.9Confident79 Ų7951.2 Ų51.230%0.29826%0.256SS..EExtended strand (participates in β ladder)trans-90.7-52.9178.3-70.3-70-175.5-1385.6110.8L169 E171 K180 G244 L245L169-R182 PolarHBondContact O-N 3.29Å; E171-R182 HydrophobicContact CB-CG 3.9Å; E171-R182 IonicContact OE1-CZ 3.78Å; E171-R182 IonicContact OE1-NH2 2.8Å; E171-R182 PolarHBondContact OE1-NH2 3.49Å; E171-R182 IonicContact OE2-CZ 2.81Å; E171-R182 IonicContact OE2-NE 3.66Å; E171-R182 PolarHBondContact OE2-NE 2.8Å; E171-R182 IonicContact OE2-NH2 2.95Å; E171-R182 PolarHBondContact OE2-NH2 2.89Å; K180-R182 PolarHBondContact O-N 3.15Å; R182-G244 CarbonylContact O-C 3.58Å; R182-G244 WeakPolarHBondContact O-CA 3.3Å; R182-L245 PolarHBondContact O-N 3.48Å
183H87.3Confident89Confident1 Ų152.5 Ų52.51%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-130.8140.2-174.4-66.7-80.1000111.4L168 L169 T221 L245 R247L168-H183 WeakPolarHBondContact CA-O 3.31Å; L169-H183 HydrophobicContact CB-CB 4.06Å; L169-H183 HydrophobicContact CD2-CB 4.48Å; L169-H183 PolarHBondContact N-O 3.26Å; L169-H183 PolarHBondContact O-N 2.84Å; H183-T221 PolarHBondContact CE1-O 3.36Å; H183-T221 PolarHBondContact CE1-OG1 3.2Å; H183-T221 VanDerWaalsContact CE1-OG1 3.29Å; H183-T221 PolarHBondContact NE2-N 2.6Å; H183-T221 VanDerWaalsContact NE2-N 3.14Å; H183-T221 PolarHBondContact NE2-O 2.87Å; H183-L245 CarbonylContact C-O 3.54Å; H183-L245 VanDerWaalsContact CA-O 3.3Å; H183-L245 WeakPolarHBondContact CA-O 3.31Å; H183-R247 HydrophobicContact CB-CB 4.32Å; H183-R247 PolarHBondContact CE1-NH2 2.88Å; H183-R247 PolarHBondContact NE2-NH2 3.33Å
184C91.4Very high89.3Confident4 Ų451.1 Ų51.13%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-111.3101.1169.8-178.30000108.4L168 R186 L243 L245 T246 R247L168-C184 HydrophobicContact CD2-CB 3.73Å; C184-R186 PolarHBondContact O-N 3.44Å; C184-L243 WeakPolarHBondContact CB-O 3.5Å; C184-L245 PolarHBondContact N-O 3.44Å; C184-T246 WeakPolarHBondContact O-CA 3.32Å; C184-R247 PolarHBondContact O-N 2.75Å
185C90.8Very high89.9Confident1 Ų149.7 Ų49.71%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-78.3112-178.3-54.90000108.7V167 F204 W216 R247V167-C185 HydrophobicContact CB-CB 4.01Å; V167-C185 PolarHBondContact N-O 3.07Å; V167-C185 VanDerWaalsContact O-CB 3.23Å; V167-C185 WeakPolarHBondContact O-CB 3.42Å; V167-C185 PolarHBondContact O-N 2.9Å; V167-C185 PolarHBondContact O-SG 3.1Å; C185-F204 HydrophobicContact CB-CZ 4.41Å; C185-W216 HydrophobicContact CB-CD2 4.1Å; C185-W216 HydrophobicContact CB-CE3 3.59Å; C185-W216 HydrophobicContact CB-CH2 4.07Å; C185-W216 HydrophobicContact CB-CZ3 3.58Å; C185-R247 WeakPolarHBondContact CA-O 3.42Å
186R89.8Confident90.5Very high107 Ų10744 Ų4440%0.40422%0.221SC..EExtended strand (participates in β ladder)trans-117.6136.9179.3-79.7-160.6161.9106.25.6110.7T166 C184 T246 R247T166-R186 HydrophobicContact CG2-CG 4.05Å; C184-R186 PolarHBondContact O-N 3.44Å; R186-T246 HydrophobicContact CB-CG2 4.19Å; R186-R247 PolarHBondContact N-O 3.39Å
187G88.1Confident90.9Very high34 Ų3436.8 Ų36.835%0.35120%0.198SC..  trans166.8-21.5177.400000114.1K214G187-K214 VanDerWaalsContact C-CE 3.43Å; G187-K214 WeakPolarHBondContact O-CE 3.31Å; G187-K214 PolarHBondContact O-NZ 2.78Å
188H92.1Very high91.2Very high12 Ų1233.8 Ų33.86%0.05618%0.182CC..  trans-75.8153.5172.7-76-66.3000111.8V192 S206 S208 D210 W216H188-V192 HydrophobicContact CB-CG2 4.1Å; H188-S206 PolarHBondContact NE2-OG 3.33Å; H188-S208 WeakPolarHBondContact CE1-CB 3.43Å; H188-S208 WeakPolarHBondContact ND1-CB 3.23Å; H188-D210 VanDerWaalsContact CA-OD2 3.23Å; H188-D210 WeakPolarHBondContact CA-OD2 3.36Å; H188-D210 IonicContact CE1-OD1 2.93Å; H188-D210 IonicContact CG-OD2 2.83Å; H188-D210 IonicContact ND1-OD1 3.46Å; H188-D210 PolarHBondContact ND1-OD1 3.4Å; H188-D210 IonicContact ND1-OD2 3.61Å; H188-D210 PolarHBondContact ND1-OD2 2.91Å; H188-W216 AromaticContact CD2-CZ2 3.83Å; H188-W216 AromaticContact NE2-CZ2 3.97Å
189T91.6Very high91.1Very high96 Ų9634.2 Ų34.259%0.58919%0.192SC*.SBendtrans-1092.1177.459.80000113.3Q165 D210Q165-T189 PolarHBondContact NE2-O 3.22Å; T189-D210 PolarHBondContact N-OD2 3.24Å; T189-D210 WeakPolarHBondContact OG1-CB 3.29Å
190G92.6Very high90.9Very high10 Ų1036.2 Ų36.210%0.10321%0.205CC..SBendtrans-143.4-174.9178.600000112.1Q165 V192 S208Q165-G190 WeakPolarHBondContact CA-O 3.46Å; Q165-G190 WeakPolarHBondContact CB-O 3.35Å; Q165-G190 WeakPolarHBondContact CG-O 3.28Å; G190-V192 PolarHBondContact O-N 2.79Å; G190-S208 PolarHBondContact O-OG 3.06Å
191S94.1Very high90.6Very high11 Ų1132 Ų328%0.07719%0.189CC..  trans-52.2135.7176.4-170.80000110.8L163 D193 S208 W209L163-S191 VanDerWaalsContact CD1-CB 3.44Å; L163-S191 WeakPolarHBondContact CD1-OG 3.46Å; S191-D193 WeakPolarHBondContact CB-OD1 3.33Å; S191-D193 PolarHBondContact OG-OD1 2.77Å; S191-S208 CarbonylContact O-C 3.59Å; S191-S208 WeakPolarHBondContact O-CA 3.29Å; S191-S208 VanDerWaalsContact O-CB 3.23Å; S191-S208 WeakPolarHBondContact O-CB 3.39Å; S191-S208 PolarHBondContact O-OG 2.89Å; S191-W209 PolarHBondContact O-N 2.83Å
192V96Very high90.6Very high0 Ų032.9 Ų32.90%020%0.195CC..EExtended strand (participates in β ladder)trans-92.9107.3168.5-171.50000107.2K144 A161 S162 V167 H188 G190 I195K144-V192 VanDerWaalsContact CB-O 3.3Å; K144-V192 WeakPolarHBondContact CB-O 3.43Å; A161-V192 HydrophobicContact CB-CB 4.03Å; A161-V192 HydrophobicContact CB-CG1 3.72Å; S162-V192 PolarHBondContact O-N 2.81Å; V167-V192 HydrophobicContact CG2-CB 4.31Å; V167-V192 HydrophobicContact CG2-CG1 3.77Å; V167-V192 HydrophobicContact CG2-CG2 4.24Å; H188-V192 HydrophobicContact CB-CG2 4.1Å; G190-V192 PolarHBondContact O-N 2.79Å; V192-I195 HydrophobicContact CG1-CG2 4.32Å
193D95.1Very high90.9Very high28 Ų2831.6 Ų31.615%0.1519%0.191CC..EExtended strand (participates in β ladder)trans-97.6-22.1-168.4-67.1-38.4000113.1K144 S191 G207K144-D193 VanDerWaalsContact CE-OD1 3.24Å; K144-D193 WeakPolarHBondContact CE-OD1 3.17Å; S191-D193 WeakPolarHBondContact CB-OD1 3.33Å; S191-D193 PolarHBondContact OG-OD1 2.77Å; D193-G207 PolarHBondContact N-O 2.71Å
194A94.7Very high91.2Very high4 Ų431.6 Ų31.63%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-145.4144.5-18000000112.3D145 S206 G207 V263D145-A194 VanDerWaalsContact OD2-CA 3.29Å; D145-A194 WeakPolarHBondContact OD2-CA 3.33Å; A194-S206 CarbonylContact O-C 3.59Å; A194-S206 VanDerWaalsContact O-CA 3.31Å; A194-S206 WeakPolarHBondContact O-CA 3.45Å; A194-G207 PolarHBondContact N-O 2.77Å; A194-G207 PolarHBondContact O-N 2.88Å; A194-V263 HydrophobicContact CB-CG2 3.94Å
195I95.9Very high91.3Very high8 Ų831.4 Ų31.44%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-134.1150.817353.5173.3000110.8D145 A147 L159 A161 V167 V192 C205D145-I195 HydrophobicContact CB-CG1 3.91Å; D145-I195 PolarHBondContact OD2-N 3.2Å; A147-I195 HydrophobicContact CB-CD1 3.76Å; A147-I195 HydrophobicContact CB-CG1 4.05Å; L159-I195 HydrophobicContact CB-CD1 3.71Å; A161-I195 HydrophobicContact CB-CD1 4.24Å; A161-I195 HydrophobicContact CB-CG1 4.35Å; A161-I195 HydrophobicContact CB-CG2 3.57Å; V167-I195 HydrophobicContact CG1-CG2 4.34Å; V167-I195 HydrophobicContact CG2-CG2 4.24Å; V192-I195 HydrophobicContact CG1-CG2 4.32Å; I195-C205 WeakPolarHBondContact CA-O 3.47Å
196S94.5Very high91.6Very high24 Ų2431.3 Ų31.317%0.16819%0.189CC..EExtended strand (participates in β ladder)trans-150.9142.8171.2-177.40000110.5F204 C205 V263 L264 W265S196-F204 CarbonylContact O-C 3.58Å; S196-F204 VanDerWaalsContact O-CA 3.26Å; S196-F204 WeakPolarHBondContact O-CA 3.4Å; S196-F204 WeakPolarHBondContact O-CB 3.41Å; S196-C205 PolarHBondContact N-O 3.17Å; S196-C205 PolarHBondContact O-N 3.43Å; S196-V263 WeakPolarHBondContact CB-O 3.2Å; S196-L264 WeakPolarHBondContact OG-CA 3.23Å; S196-W265 VanDerWaalsContact C-CD1 3.49Å; S196-W265 VanDerWaalsContact O-CD1 3.28Å; S196-W265 PolarHBondContact O-NE1 2.95Å; S196-W265 PolarHBondContact OG-N 3.07Å
197T93.1Very high91.9Very high29 Ų2926.2 Ų26.218%0.17817%0.17CC..EExtended strand (participates in β ladder)trans-97.6144-177.950.60000110.8A147 W148 V149 L159 F204A147-T197 HydrophobicContact CB-CG2 4.1Å; W148-T197 WeakPolarHBondContact O-CG2 2.95Å; W148-T197 PolarHBondContact O-OG1 3.17Å; V149-T197 HydrophobicContact CB-CG2 4.42Å; V149-T197 HydrophobicContact CG2-CG2 3.84Å; L159-T197 HydrophobicContact CD1-CG2 3.69Å; T197-F204 HydrophobicContact CG2-CB 4.09Å
198D90.1Very high92.3Very high4 Ų424.6 Ų24.62%0.02115%0.153CC..  trans-66.2140.8171.8177.2-21.7000108.7T200 G201 K203 W265D198-T200 PolarHBondContact O-N 3.24Å; D198-T200 PolarHBondContact OD1-N 3.28Å; D198-T200 PolarHBondContact OD1-OG1 2.84Å; D198-T200 PolarHBondContact OD2-OG1 3.11Å; D198-G201 WeakPolarHBondContact O-CA 3.44Å; D198-G201 PolarHBondContact O-N 3.37Å; D198-K203 HydrophobicContact CB-CB 4.19Å; D198-K203 VanDerWaalsContact CB-O 3.28Å; D198-K203 WeakPolarHBondContact CB-O 3.41Å; D198-K203 PolarHBondContact N-O 3.19Å; D198-K203 WeakPolarHBondContact OD2-CE 3.28Å; D198-K203 IonicContact OD2-NZ 2.62Å; D198-W265 HydrophobicContact CB-CD2 4Å; D198-W265 HydrophobicContact CB-CE3 4.13Å; D198-W265 HydrophobicContact CB-CG 4.49Å; D198-W265 HydrophobicContact CB-CH2 4.41Å; D198-W265 HydrophobicContact CB-CZ2 4.3Å; D198-W265 HydrophobicContact CB-CZ3 4.32Å
199P84.3Confident92.4Very high103 Ų10330.1 Ų30.167%0.66917%0.174SC*.THydrogen-bonded Turntrans-47.9-28.1171.8-29.834.4000115.2G201P199-G201 VanDerWaalsContact C-N 3.31Å
200T84.3Confident92.5Very high84 Ų8426.5 Ų26.552%0.51515%0.151SC..THydrogen-bonded Turntrans-77.2-14.5176.565.20000114D198 S202D198-T200 PolarHBondContact O-N 3.24Å; D198-T200 PolarHBondContact OD1-N 3.28Å; D198-T200 PolarHBondContact OD1-OG1 2.84Å; D198-T200 PolarHBondContact OD2-OG1 3.11Å; T200-S202 PolarHBondContact O-N 3.44Å; T200-S202 PolarHBondContact OG1-N 2.68Å; T200-S202 PolarHBondContact OG1-OG 3.27Å
201G83Confident92.6Very high10 Ų1030 Ų3010%0.10316%0.163CC..SBendtrans6812.4-17400000114V149 D198 P199V149-G201 VanDerWaalsContact CG1-O 3.29Å; V149-G201 WeakPolarHBondContact CG1-O 3.38Å; D198-G201 WeakPolarHBondContact O-CA 3.44Å; D198-G201 PolarHBondContact O-N 3.37Å; P199-G201 VanDerWaalsContact C-N 3.31Å
202S87.3Confident92.5Very high42 Ų4232.5 Ų32.529%0.29417%0.174SC..SBendtrans-90-31-177.168.60000113.3T200 A218T200-S202 PolarHBondContact O-N 3.44Å; T200-S202 PolarHBondContact OG1-N 2.68Å; T200-S202 PolarHBondContact OG1-OG 3.27Å; S202-A218 PolarHBondContact O-N 2.64Å
203K91.9Very high92.4Very high52 Ų5232.5 Ų32.523%0.22617%0.174CC..EExtended strand (participates in β ladder)trans-131.4160.3-176-67.7171.7-68.7179.40110D198 W216 W265D198-K203 HydrophobicContact CB-CB 4.19Å; D198-K203 VanDerWaalsContact CB-O 3.28Å; D198-K203 WeakPolarHBondContact CB-O 3.41Å; D198-K203 PolarHBondContact N-O 3.19Å; D198-K203 WeakPolarHBondContact OD2-CE 3.28Å; D198-K203 IonicContact OD2-NZ 2.62Å; K203-W216 VanDerWaalsContact CA-O 3.24Å; K203-W216 WeakPolarHBondContact CA-O 3.29Å; K203-W265 HydrophobicContact CB-CH2 4.11Å; K203-W265 HydrophobicContact CB-CZ2 4.12Å
204F94.4Very high92.4Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-141.9159.4167.571.7-89.6000109.9L159 V167 C185 S196 T197 I215 W216 A218L159-F204 HydrophobicContact CD1-CB 3.72Å; L159-F204 HydrophobicContact CD1-CD1 3.69Å; L159-F204 HydrophobicContact CD1-CD2 3.87Å; L159-F204 HydrophobicContact CD1-CE1 4.2Å; L159-F204 HydrophobicContact CD1-CE2 4.38Å; L159-F204 HydrophobicContact CD1-CG 3.49Å; L159-F204 VanDerWaalsContact CD1-CG 3.49Å; L159-F204 HydrophobicContact CD2-CD1 4.13Å; L159-F204 HydrophobicContact CD2-CE1 3.79Å; L159-F204 HydrophobicContact CD2-CE2 4.31Å; L159-F204 HydrophobicContact CD2-CZ 3.89Å; V167-F204 HydrophobicContact CB-CE2 4.26Å; V167-F204 HydrophobicContact CB-CZ 4.46Å; V167-F204 HydrophobicContact CG1-CE2 3.8Å; V167-F204 HydrophobicContact CG1-CZ 4.06Å; V167-F204 HydrophobicContact CG2-CE2 4.5Å; C185-F204 HydrophobicContact CB-CZ 4.41Å; S196-F204 CarbonylContact O-C 3.58Å; S196-F204 VanDerWaalsContact O-CA 3.26Å; S196-F204 WeakPolarHBondContact O-CA 3.4Å; S196-F204 WeakPolarHBondContact O-CB 3.41Å; T197-F204 HydrophobicContact CG2-CB 4.09Å; F204-I215 WeakPolarHBondContact O-CA 3.47Å; F204-W216 HydrophobicContact CD1-CB 3.79Å; F204-W216 HydrophobicContact CD2-CB 4.2Å; F204-W216 AromaticContact CD2-CD1 3.61Å; F204-W216 HydrophobicContact CD2-CG 4.15Å; F204-W216 HydrophobicContact CE1-CB 3.33Å; F204-W216 AromaticContact CE1-CG 4Å; F204-W216 HydrophobicContact CE1-CG 4Å; F204-W216 HydrophobicContact CE2-CB 3.76Å; F204-W216 AromaticContact CE2-CD1 3.19Å; F204-W216 HydrophobicContact CE2-CD2 4.28Å; F204-W216 AromaticContact CE2-CG 3.5Å; F204-W216 HydrophobicContact CE2-CG 3.5Å; F204-W216 VanDerWaalsContact CE2-CG 3.5Å; F204-W216 AromaticContact CE2-NE1 3.82Å; F204-W216 HydrophobicContact CG-CB 4.21Å; F204-W216 HydrophobicContact CZ-CB 3.3Å; F204-W216 AromaticContact CZ-CD1 3.65Å; F204-W216 HydrophobicContact CZ-CD2 4.12Å; F204-W216 AromaticContact CZ-CG 3.42Å; F204-W216 HydrophobicContact CZ-CG 3.42Å; F204-W216 VanDerWaalsContact CZ-CG 3.42Å; F204-W216 PolarHBondContact N-O 3.43Å; F204-W216 PolarHBondContact O-N 2.84Å; F204-A218 HydrophobicContact CD1-CB 3.9Å
205C94.6Very high92.4Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-116.8151.9175.269.50000110.1I195 S196 L213 K214 W265 V271I195-C205 WeakPolarHBondContact CA-O 3.47Å; S196-C205 PolarHBondContact N-O 3.17Å; S196-C205 PolarHBondContact O-N 3.43Å; C205-L213 HydrophobicContact CB-CD2 4.11Å; C205-K214 CarbonylContact C-O 3.6Å; C205-K214 VanDerWaalsContact CA-O 3.25Å; C205-K214 WeakPolarHBondContact CA-O 3.42Å; C205-W265 HydrophobicContact CB-CZ2 4.09Å; C205-W265 PolarHBondContact SG-NE1 2.9Å; C205-V271 HydrophobicContact CB-CG1 4.36Å; C205-V271 HydrophobicContact CB-CG2 4.46Å
206S96.3Very high92.3Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-133136.1174.962.70000111.2H188 A194 L213 K214 W216H188-S206 PolarHBondContact NE2-OG 3.33Å; A194-S206 CarbonylContact O-C 3.59Å; A194-S206 VanDerWaalsContact O-CA 3.31Å; A194-S206 WeakPolarHBondContact O-CA 3.45Å; S206-L213 WeakPolarHBondContact O-CA 3.38Å; S206-K214 PolarHBondContact N-O 3.04Å; S206-K214 PolarHBondContact O-N 3.18Å; S206-W216 PolarHBondContact OG-NE1 2.91Å
207G96Very high92.1Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-103.7138.9170.900000110.5D193 A194D193-G207 PolarHBondContact N-O 2.71Å; A194-G207 PolarHBondContact N-O 2.77Å; A194-G207 PolarHBondContact O-N 2.88Å
208S96.3Very high91.7Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-134.6160.2-176.4176.30000112.9H188 G190 S191 D210 K211 M212 V260H188-S208 WeakPolarHBondContact CE1-CB 3.43Å; H188-S208 WeakPolarHBondContact ND1-CB 3.23Å; G190-S208 PolarHBondContact O-OG 3.06Å; S191-S208 CarbonylContact O-C 3.59Å; S191-S208 WeakPolarHBondContact O-CA 3.29Å; S191-S208 VanDerWaalsContact O-CB 3.23Å; S191-S208 WeakPolarHBondContact O-CB 3.39Å; S191-S208 PolarHBondContact O-OG 2.89Å; S208-D210 VanDerWaalsContact CB-OD1 3.26Å; S208-D210 WeakPolarHBondContact CB-OD1 3.18Å; S208-D210 PolarHBondContact O-N 2.91Å; S208-D210 PolarHBondContact OG-N 3.21Å; S208-D210 PolarHBondContact OG-OD1 2.58Å; S208-K211 PolarHBondContact O-N 3.36Å; S208-M212 PolarHBondContact N-O 2.83Å; S208-V260 PolarHBondContact O-N 3.26Å
209W94.5Very high91.5Very high127 Ų12734 Ų3448%0.48118%0.183SC..THydrogen-bonded Turntrans-58.3-19.5168.6-160.5-87.4000113.7S191 K211 A259 W276S191-W209 PolarHBondContact O-N 2.83Å; W209-K211 PolarHBondContact O-N 3.31Å; W209-A259 HydrophobicContact CB-CB 4.46Å; W209-A259 HydrophobicContact CD2-CB 3.66Å; W209-A259 HydrophobicContact CE3-CB 3.49Å; W209-A259 VanDerWaalsContact CE3-CB 3.49Å; W209-A259 HydrophobicContact CG-CB 4.13Å; W209-A259 HydrophobicContact CH2-CB 4.39Å; W209-A259 HydrophobicContact CZ3-CB 3.89Å; W209-W276 HydrophobicContact CH2-CE3 4.12Å; W209-W276 AromaticContact CH2-CH2 3.79Å; W209-W276 HydrophobicContact CH2-CH2 3.79Å; W209-W276 HydrophobicContact CH2-CZ2 4.23Å; W209-W276 AromaticContact CH2-CZ3 3.73Å; W209-W276 HydrophobicContact CH2-CZ3 3.73Å; W209-W276 HydrophobicContact CZ3-CH2 4.13Å; W209-W276 HydrophobicContact CZ3-CZ2 4.12Å; W209-W276 HydrophobicContact CZ3-CZ3 4.4Å
210D93.2Very high91.2Very high20 Ų2031.6 Ų31.611%0.10717%0.168CC..THydrogen-bonded Turntrans-75.57.517672.34.7000114.9H188 T189 S208 M212H188-D210 VanDerWaalsContact CA-OD2 3.23Å; H188-D210 WeakPolarHBondContact CA-OD2 3.36Å; H188-D210 IonicContact CE1-OD1 2.93Å; H188-D210 IonicContact CG-OD2 2.83Å; H188-D210 IonicContact ND1-OD1 3.46Å; H188-D210 PolarHBondContact ND1-OD1 3.4Å; H188-D210 IonicContact ND1-OD2 3.61Å; H188-D210 PolarHBondContact ND1-OD2 2.91Å; T189-D210 PolarHBondContact N-OD2 3.24Å; T189-D210 WeakPolarHBondContact OG1-CB 3.29Å; S208-D210 VanDerWaalsContact CB-OD1 3.26Å; S208-D210 WeakPolarHBondContact CB-OD1 3.18Å; S208-D210 PolarHBondContact O-N 2.91Å; S208-D210 PolarHBondContact OG-N 3.21Å; S208-D210 PolarHBondContact OG-OD1 2.58Å; D210-M212 PolarHBondContact O-N 3.33Å; D210-M212 WeakPolarHBondContact OD1-CA 3.26Å; D210-M212 WeakPolarHBondContact OD1-CB 3.46Å; D210-M212 PolarHBondContact OD1-N 2.85Å
211K94.1Very high90.8Very high83 Ų8330.5 Ų30.536%0.36116%0.161SC..SBendtrans71.83.3178.3-39.8171.3179.4-153.40113.6S208 W209 N257S208-K211 PolarHBondContact O-N 3.36Å; W209-K211 PolarHBondContact O-N 3.31Å; K211-N257 VanDerWaalsContact CD-O 3.3Å; K211-N257 WeakPolarHBondContact CD-O 3.29Å; K211-N257 VanDerWaalsContact CE-O 3.29Å; K211-N257 WeakPolarHBondContact CE-O 3.46Å; K211-N257 PolarHBondContact NZ-O 3.36Å
212M93.7Very high89.9Confident64 Ų6439.1 Ų39.132%0.31520%0.199SC..EExtended strand (participates in β ladder)trans-100.7146.6-178.7-53.8-62.6174.400110.3S208 D210 T252 S254S208-M212 PolarHBondContact N-O 2.83Å; D210-M212 PolarHBondContact O-N 3.33Å; D210-M212 WeakPolarHBondContact OD1-CA 3.26Å; D210-M212 WeakPolarHBondContact OD1-CB 3.46Å; D210-M212 PolarHBondContact OD1-N 2.85Å; M212-T252 HydrophobicContact CB-CG2 4.04Å; M212-T252 HydrophobicContact CG-CG2 4.24Å; M212-T252 HydrophobicContact SD-CG2 4.25Å; M212-S254 VanDerWaalsContact SD-CB 3.52Å
213L94.1Very high88.7Confident0 Ų044.8 Ų44.80%022%0.22CC..EExtended strand (participates in β ladder)trans-107.4131163.9-168.6149.3000108C205 S206 I215 L253 V263 V271 S273C205-L213 HydrophobicContact CB-CD2 4.11Å; S206-L213 WeakPolarHBondContact O-CA 3.38Å; L213-I215 HydrophobicContact CD2-CG1 4.23Å; L213-L253 HydrophobicContact CB-CB 4.26Å; L213-L253 HydrophobicContact CD2-CD1 4.01Å; L213-L253 PolarHBondContact N-O 3.47Å; L213-L253 PolarHBondContact O-N 3.47Å; L213-V263 HydrophobicContact CD1-CB 4.23Å; L213-V263 HydrophobicContact CD1-CG1 3.46Å; L213-V263 VanDerWaalsContact CD1-CG1 3.46Å; L213-V263 HydrophobicContact CG-CG1 4.17Å; L213-V271 HydrophobicContact CD1-CG1 3.96Å; L213-V271 HydrophobicContact CD2-CG1 4.14Å; L213-S273 VanDerWaalsContact CD1-CB 3.47Å
214K94.8Very high87.3Confident18 Ų1844.6 Ų44.68%0.07823%0.229CC..EExtended strand (participates in β ladder)trans-119.5141.4-180-71.5178.5-174.1-85.40110.6G187 C205 S206 W216 P249 M251 T252G187-K214 VanDerWaalsContact C-CE 3.43Å; G187-K214 WeakPolarHBondContact O-CE 3.31Å; G187-K214 PolarHBondContact O-NZ 2.78Å; C205-K214 CarbonylContact C-O 3.6Å; C205-K214 VanDerWaalsContact CA-O 3.25Å; C205-K214 WeakPolarHBondContact CA-O 3.42Å; S206-K214 PolarHBondContact N-O 3.04Å; S206-K214 PolarHBondContact O-N 3.18Å; K214-W216 HydrophobicContact CB-CZ2 3.64Å; K214-W216 HydrophobicContact CD-CH2 4.02Å; K214-W216 HydrophobicContact CD-CZ2 3.64Å; K214-W216 HydrophobicContact CG-CZ2 4.28Å; K214-W216 PolarHBondContact O-NE1 3.09Å; K214-P249 HydrophobicContact CB-CB 4.03Å; K214-P249 HydrophobicContact CD-CB 4.03Å; K214-P249 HydrophobicContact CD-CG 4.05Å; K214-P249 HydrophobicContact CG-CB 4.15Å; K214-M251 WeakPolarHBondContact CA-O 3.43Å; K214-T252 HydrophobicContact CG-CG2 4.09Å; K214-T252 PolarHBondContact NZ-OG1 2.86Å
215I94.1Very high85.9Confident3 Ų347.4 Ų47.42%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-109.9135.4176.2-54.4-178.3000107.9F204 L213 P249 L250 M251 L253 W265 V285F204-I215 WeakPolarHBondContact O-CA 3.47Å; L213-I215 HydrophobicContact CD2-CG1 4.23Å; I215-P249 CarbonylContact O-C 3.59Å; I215-L250 WeakPolarHBondContact O-CB 3.44Å; I215-L250 PolarHBondContact O-N 3.16Å; I215-M251 HydrophobicContact CB-CB 4.23Å; I215-M251 PolarHBondContact N-O 3.15Å; I215-M251 PolarHBondContact O-N 3.01Å; I215-L253 HydrophobicContact CD1-CD1 4.12Å; I215-W265 HydrophobicContact CG2-CH2 4.26Å; I215-W265 HydrophobicContact CG2-CZ2 4.27Å; I215-V285 HydrophobicContact CD1-CB 4.08Å; I215-V285 HydrophobicContact CD1-CG1 3.6Å; I215-V285 HydrophobicContact CD1-CG2 3.71Å
216W93.3Very high83.8Confident1 Ų156.5 Ų56.50%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-132155-172.2-46.182.7000110C185 H188 K203 F204 S206 K214 P249C185-W216 HydrophobicContact CB-CD2 4.1Å; C185-W216 HydrophobicContact CB-CE3 3.59Å; C185-W216 HydrophobicContact CB-CH2 4.07Å; C185-W216 HydrophobicContact CB-CZ3 3.58Å; H188-W216 AromaticContact CD2-CZ2 3.83Å; H188-W216 AromaticContact NE2-CZ2 3.97Å; K203-W216 VanDerWaalsContact CA-O 3.24Å; K203-W216 WeakPolarHBondContact CA-O 3.29Å; F204-W216 HydrophobicContact CD1-CB 3.79Å; F204-W216 HydrophobicContact CD2-CB 4.2Å; F204-W216 AromaticContact CD2-CD1 3.61Å; F204-W216 HydrophobicContact CD2-CG 4.15Å; F204-W216 HydrophobicContact CE1-CB 3.33Å; F204-W216 AromaticContact CE1-CG 4Å; F204-W216 HydrophobicContact CE1-CG 4Å; F204-W216 HydrophobicContact CE2-CB 3.76Å; F204-W216 AromaticContact CE2-CD1 3.19Å; F204-W216 HydrophobicContact CE2-CD2 4.28Å; F204-W216 AromaticContact CE2-CG 3.5Å; F204-W216 HydrophobicContact CE2-CG 3.5Å; F204-W216 VanDerWaalsContact CE2-CG 3.5Å; F204-W216 AromaticContact CE2-NE1 3.82Å; F204-W216 HydrophobicContact CG-CB 4.21Å; F204-W216 HydrophobicContact CZ-CB 3.3Å; F204-W216 AromaticContact CZ-CD1 3.65Å; F204-W216 HydrophobicContact CZ-CD2 4.12Å; F204-W216 AromaticContact CZ-CG 3.42Å; F204-W216 HydrophobicContact CZ-CG 3.42Å; F204-W216 VanDerWaalsContact CZ-CG 3.42Å; F204-W216 PolarHBondContact N-O 3.43Å; F204-W216 PolarHBondContact O-N 2.84Å; S206-W216 PolarHBondContact OG-NE1 2.91Å; K214-W216 HydrophobicContact CB-CZ2 3.64Å; K214-W216 HydrophobicContact CD-CH2 4.02Å; K214-W216 HydrophobicContact CD-CZ2 3.64Å; K214-W216 HydrophobicContact CG-CZ2 4.28Å; K214-W216 PolarHBondContact O-NE1 3.09Å; W216-P249 HydrophobicContact CD2-CB 4.18Å; W216-P249 HydrophobicContact CE3-CB 3.93Å; W216-P249 HydrophobicContact CH2-CB 4.09Å; W216-P249 HydrophobicContact CH2-CG 4.38Å; W216-P249 HydrophobicContact CZ2-CB 4.31Å; W216-P249 HydrophobicContact CZ3-CB 3.89Å; W216-P249 HydrophobicContact CZ3-CG 4.26Å
217S90.8Very high81.7Confident30 Ų3060.2 Ų60.221%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-77.9133.5165.9-179.40000109.6V219 R247S217-V219 PolarHBondContact OG-N 2.92Å; S217-R247 PolarHBondContact O-NH1 2.81Å
218A85.6Confident79Confident1 Ų169.3 Ų69.31%0.00835%0.351CS..  trans-93.9-9.6173.100000112.3V149 L169 S202 F204 P220V149-A218 HydrophobicContact CG1-CB 3.54Å; V149-A218 HydrophobicContact CG2-CB 4.42Å; L169-A218 WeakPolarHBondContact CD2-O 3.26Å; S202-A218 PolarHBondContact O-N 2.64Å; F204-A218 HydrophobicContact CD1-CB 3.9Å; A218-P220 WeakPolarHBondContact O-CD 3.3Å
219V85Confident76.2Confident76 Ų7677.9 Ų77.946%0.46139%0.391SS..SBendtrans-72.3124.4-179.3-177.70000109.5S217 T221 R247S217-V219 PolarHBondContact OG-N 2.92Å; V219-T221 PolarHBondContact O-N 3.38Å; V219-R247 VanDerWaalsContact O-CZ 3.25Å; V219-R247 PolarHBondContact O-NH1 2.8Å; V219-R247 PolarHBondContact O-NH2 2.89Å
220P77.8Confident73.3Confident53 Ų5376.5 Ų76.534%0.34440%0.401SS..  trans-64.7121.7176.4-1931.3000110.6L157 L169 A218L157-P220 HydrophobicContact CD1-CG 3.71Å; L157-P220 HydrophobicContact CD2-CG 3.9Å; L157-P220 HydrophobicContact CG-CG 4.48Å; L169-P220 HydrophobicContact CD2-CG 4.49Å; A218-P220 WeakPolarHBondContact O-CD 3.3Å
221T75.9Confident70.6Confident61 Ų6180.7 Ų80.737%0.37444%0.439SS..  trans-105.2154.9168.754.80000109.7H183 V219 E223 R247H183-T221 PolarHBondContact CE1-O 3.36Å; H183-T221 PolarHBondContact CE1-OG1 3.2Å; H183-T221 VanDerWaalsContact CE1-OG1 3.29Å; H183-T221 PolarHBondContact NE2-N 2.6Å; H183-T221 VanDerWaalsContact NE2-N 3.14Å; H183-T221 PolarHBondContact NE2-O 2.87Å; V219-T221 PolarHBondContact O-N 3.38Å; T221-E223 PolarHBondContact OG1-O 2.89Å; T221-R247 PolarHBondContact OG1-NH2 2.79Å
222E64.9Low67.7Low191 Ų19184 Ų8489%0.89346%0.46SS*.SBendtrans-88.4-11.4175.3-62.9-165.4155.600112.9L245E222-L245 WeakPolarHBondContact O-CD1 3.48Å
223E60.9Low64.9Low160 Ų16091 Ų9175%0.74848%0.483SS*.SBendtrans-101.5139.3178.1-62.6-179.7176.300110.5T221T221-E223 PolarHBondContact OG1-O 2.89Å
224A63.3Low61.9Low49 Ų4997 Ų9741%0.40552%0.522SS..PPolyproline II helixtrans-82.6142.9170.400000109.6L245A224-L245 HydrophobicContact CB-CB 4.04Å; A224-L245 HydrophobicContact CB-CD2 3.89Å
225D64.1Low59.3Low59 Ų59107.7 Ų107.732%0.31656%0.562SS.*PPolyproline II helixtrans-69.1136.4173.2-63.6-24.6000109.5V227 T246 R247 T248D225-V227 PolarHBondContact O-N 3.17Å; D225-T246 PolarHBondContact N-O 3.15Å; D225-R247 WeakPolarHBondContact OD2-CA 3.36Å; D225-T248 HydrophobicContact CB-CG2 3.92Å; D225-T248 PolarHBondContact OD2-N 3.24Å; D225-T248 PolarHBondContact OD2-OG1 2.96Å
226E50.6Low56.6Low190 Ų190117.2 Ų117.289%0.88860%0.603SS**  trans-63.7109.1172.6-68.4-172.4172.500109.2E228E226-E228 PolarHBondContact O-N 2.61Å
227V53.1Low54.2Low79 Ų79126.9 Ų126.948%0.47965%0.646SS.*  trans-84.4108.2172.8-1720000108D225 E229 T246 T248D225-V227 PolarHBondContact O-N 3.17Å; V227-E229 VanDerWaalsContact C-N 3.31Å; V227-E229 PolarHBondContact O-N 3.3Å; V227-T246 HydrophobicContact CG2-CG2 3.55Å; V227-T248 HydrophobicContact CG2-CG2 4.3Å
228E39.2Very low51.5Low190 Ų190133.7 Ų133.789%0.88867%0.674SS**  trans-67.393.1162.9-73.6-166.7164.100108.6E226 S230E226-E228 PolarHBondContact O-N 2.61Å; E228-S230 PolarHBondContact O-N 2.65Å
229E38.3Very low49.2Very low180 Ų180143.3 Ų143.384%0.84172%0.715SS**  trans-61.7109.1167.9-104.4-173.1162.100108.5V227 A231V227-E229 VanDerWaalsContact C-N 3.31Å; V227-E229 PolarHBondContact O-N 3.3Å; E229-A231 PolarHBondContact O-N 3.07Å; E229-A231 VanDerWaalsContact O-N 3.12Å
230S31.9Very low47.1Very low99 Ų99143.2 Ų143.269%0.69272%0.715SS**  trans-55.9119.7168.962.50000109E228 D232E228-S230 PolarHBondContact O-N 2.65Å; S230-D232 PolarHBondContact O-N 3.18Å
231A36.9Very low45.6Very low108 Ų108149.1 Ų149.189%0.89374%0.738SS**SBendtrans-69.536-165.800000116.4E229E229-A231 PolarHBondContact O-N 3.07Å; E229-A231 VanDerWaalsContact O-N 3.12Å
232D33.3Very low44.7Very low153 Ų153151.4 Ų151.482%0.81875%0.745SS**  trans-145.942.8-174.2-143.110.8000115.7S230S230-D232 PolarHBondContact O-N 3.18Å
233R34.6Very low45Very low209 Ų209145.6 Ų145.679%0.78972%0.719SS**SBendtrans-119.4129.7163.1-77.7-174.8177.3-171.20.4111.4R235R233-R235 PolarHBondContact O-N 3.2Å
234P32.7Very low45.6Very low127 Ų127139.1 Ų139.183%0.82570%0.696SS**  trans-65125.7179.625.5-31.6000110.1K236P234-K236 PolarHBondContact O-N 3.24Å
235R40.1Very low46.6Very low242 Ų242139.7 Ų139.791%0.91369%0.692SS**  trans-60.687.3179.6-70.8175.4171.1173.3-3.1111.8R233R233-R235 PolarHBondContact O-N 3.2Å
236K36.1Very low47.6Very low203 Ų203138 Ų13888%0.88368%0.684SS**  trans-9099.9150.2-92.3-176.2176.81780107.7P234 Q238P234-K236 PolarHBondContact O-N 3.24Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-Q238 PolarHBondContact O-N 3.1Å
237K42.5Very low49.4Very low205 Ų205129.3 Ų129.389%0.89164%0.643SS**  trans-59.592.6170.2-79.7177.1172.8175.60109.3
238Q34.3Very low51.1Low172 Ų172127.9 Ų127.980%0.80463%0.634SS**  trans-94.899.8151.2-1551673.600105.3K236 T240K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-Q238 PolarHBondContact O-N 3.1Å; Q238-T240 PolarHBondContact O-N 3.48Å
239K36.9Very low53.6Low203 Ų203120.3 Ų120.388%0.88360%0.602SS**  trans-73.167.4175.4-164.9-175.7-175.6-173.50107.4Q241K239-Q241 PolarHBondContact O-N 3.1Å
240T41.7Very low56Low75 Ų75117.2 Ų117.246%0.4659%0.59SS.*  trans-66119.8170.4-42.20000105.6Q238 Q242Q238-T240 PolarHBondContact O-N 3.48Å; T240-Q242 PolarHBondContact O-N 3.08Å
241Q45.8Very low58.7Low177 Ų177115.2 Ų115.283%0.82757%0.571SS**  trans-55.1110176.7-75.9178.1-3.300107.6K239 L243K239-Q241 PolarHBondContact O-N 3.1Å; Q241-L243 PolarHBondContact O-N 3.36Å
242Q58.3Low61.4Low109 Ų109113 Ų11351%0.50955%0.546SS..  trans-75.5113-176-178.5173.3-23.500108.3T240 G244 T246T240-Q242 PolarHBondContact O-N 3.08Å; Q242-G244 PolarHBondContact NE2-O 2.79Å; Q242-T246 PolarHBondContact NE2-OG1 2.94Å
243L70.8Confident64.1Low68 Ų68105.9 Ų105.936%0.35651%0.508SS..  trans-91114.4175.7-72.1165.1000108.4G138 W170 A181 C184 Q241G138-L243 WeakPolarHBondContact O-CD1 3.44Å; W170-L243 HydrophobicContact CH2-CD1 4.42Å; A181-L243 HydrophobicContact CB-CB 3.75Å; C184-L243 WeakPolarHBondContact CB-O 3.5Å; Q241-L243 PolarHBondContact O-N 3.36Å
244G73.9Confident66.8Low25 Ų2599.9 Ų99.926%0.25850%0.498SS..SBendtrans85.9165.6178.700000115.3R182 Q242R182-G244 CarbonylContact O-C 3.58Å; R182-G244 WeakPolarHBondContact O-CA 3.3Å; Q242-G244 PolarHBondContact NE2-O 2.79Å
245L83.6Confident69.4Low61 Ų6195.1 Ų95.132%0.31947%0.472SS..EExtended strand (participates in β ladder)trans-70.7139.1178-65.3162.3000110R182 H183 C184 E222 A224 R247R182-L245 PolarHBondContact O-N 3.48Å; H183-L245 CarbonylContact C-O 3.54Å; H183-L245 VanDerWaalsContact CA-O 3.3Å; H183-L245 WeakPolarHBondContact CA-O 3.31Å; C184-L245 PolarHBondContact N-O 3.44Å; E222-L245 WeakPolarHBondContact O-CD1 3.48Å; A224-L245 HydrophobicContact CB-CB 4.04Å; A224-L245 HydrophobicContact CB-CD2 3.89Å; L245-R247 PolarHBondContact O-N 3.08Å
246T86.1Confident71.9Confident23 Ų2384.1 Ų84.114%0.14143%0.431CS..EExtended strand (participates in β ladder)trans-69132.5177.2-43.30000109.9C184 R186 D225 V227 Q242C184-T246 WeakPolarHBondContact O-CA 3.32Å; R186-T246 HydrophobicContact CB-CG2 4.19Å; D225-T246 PolarHBondContact N-O 3.15Å; V227-T246 HydrophobicContact CG2-CG2 3.55Å; Q242-T246 PolarHBondContact NE2-OG1 2.94Å
247R87.1Confident74.6Confident7 Ų779.9 Ų79.93%0.02642%0.418CS..EExtended strand (participates in β ladder)trans-122.3137.9174.7-178.5167.4-71.7-175-7.5110.6H183 C184 C185 R186 S217 V219 T221 D225 L245H183-R247 HydrophobicContact CB-CB 4.32Å; H183-R247 PolarHBondContact CE1-NH2 2.88Å; H183-R247 PolarHBondContact NE2-NH2 3.33Å; C184-R247 PolarHBondContact O-N 2.75Å; C185-R247 WeakPolarHBondContact CA-O 3.42Å; R186-R247 PolarHBondContact N-O 3.39Å; S217-R247 PolarHBondContact O-NH1 2.81Å; V219-R247 VanDerWaalsContact O-CZ 3.25Å; V219-R247 PolarHBondContact O-NH1 2.8Å; V219-R247 PolarHBondContact O-NH2 2.89Å; T221-R247 PolarHBondContact OG1-NH2 2.79Å; D225-R247 WeakPolarHBondContact OD2-CA 3.36Å; L245-R247 PolarHBondContact O-N 3.08Å
248T89Confident77.2Confident49 Ų4974.4 Ų74.430%0.30140%0.396SS..  trans-99.8155.4178.258.70000110.7D225 V227D225-T248 HydrophobicContact CB-CG2 3.92Å; D225-T248 PolarHBondContact OD2-N 3.24Å; D225-T248 PolarHBondContact OD2-OG1 2.96Å; V227-T248 HydrophobicContact CG2-CG2 4.3Å
249P90.9Very high80Confident32 Ų3266.3 Ų66.321%0.20836%0.358CS..  trans-70.4139177.629.8-35.6000110.6K214 I215 W216 M251K214-P249 HydrophobicContact CB-CB 4.03Å; K214-P249 HydrophobicContact CD-CB 4.03Å; K214-P249 HydrophobicContact CD-CG 4.05Å; K214-P249 HydrophobicContact CG-CB 4.15Å; I215-P249 CarbonylContact O-C 3.59Å; W216-P249 HydrophobicContact CD2-CB 4.18Å; W216-P249 HydrophobicContact CE3-CB 3.93Å; W216-P249 HydrophobicContact CH2-CB 4.09Å; W216-P249 HydrophobicContact CH2-CG 4.38Å; W216-P249 HydrophobicContact CZ2-CB 4.31Å; W216-P249 HydrophobicContact CZ3-CB 3.89Å; W216-P249 HydrophobicContact CZ3-CG 4.26Å; P249-M251 VanDerWaalsContact C-N 3.31Å
250L89Confident82.9Confident114 Ų11456.6 Ų56.660%0.59732%0.316SS*.SBendtrans-65.5-39171.2-65174.3000110.9I215I215-L250 WeakPolarHBondContact O-CB 3.44Å; I215-L250 PolarHBondContact O-N 3.16Å
251M89.6Confident85.4Confident57 Ų5754 Ų5428%0.28130%0.301SS..EExtended strand (participates in β ladder)trans-147.5144.2-177.4-160.6179.8-4900110.4K214 I215 P249 L253 V285 G288K214-M251 WeakPolarHBondContact CA-O 3.43Å; I215-M251 HydrophobicContact CB-CB 4.23Å; I215-M251 PolarHBondContact N-O 3.15Å; I215-M251 PolarHBondContact O-N 3.01Å; P249-M251 VanDerWaalsContact C-N 3.31Å; M251-L253 HydrophobicContact CG-CD2 4.06Å; M251-L253 HydrophobicContact SD-CD2 3.57Å; M251-L253 VanDerWaalsContact SD-CD2 3.57Å; M251-L253 HydrophobicContact SD-CG 4.38Å; M251-V285 WeakPolarHBondContact CE-O 3.36Å; M251-G288 WeakPolarHBondContact SD-CA 3.42Å
252T92.5Very high87.7Confident61 Ų6146.2 Ų46.237%0.37427%0.266SS..EExtended strand (participates in β ladder)trans-118116.9169.6-58.30000108.5M212 K214M212-T252 HydrophobicContact CB-CG2 4.04Å; M212-T252 HydrophobicContact CG-CG2 4.24Å; M212-T252 HydrophobicContact SD-CG2 4.25Å; K214-T252 HydrophobicContact CG-CG2 4.09Å; K214-T252 PolarHBondContact NZ-OG1 2.86Å
253L91.5Very high89.5Confident5 Ų541.3 Ų41.33%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-95.1109.6175.6-59.4-175.5000108.7L213 I215 M251 W283L213-L253 HydrophobicContact CB-CB 4.26Å; L213-L253 HydrophobicContact CD2-CD1 4.01Å; L213-L253 PolarHBondContact N-O 3.47Å; L213-L253 PolarHBondContact O-N 3.47Å; I215-L253 HydrophobicContact CD1-CD1 4.12Å; M251-L253 HydrophobicContact CG-CD2 4.06Å; M251-L253 HydrophobicContact SD-CD2 3.57Å; M251-L253 VanDerWaalsContact SD-CD2 3.57Å; M251-L253 HydrophobicContact SD-CG 4.38Å; L253-W283 HydrophobicContact CB-CD2 4.29Å; L253-W283 HydrophobicContact CB-CE3 3.95Å; L253-W283 HydrophobicContact CB-CH2 4.41Å; L253-W283 HydrophobicContact CB-CZ3 4.01Å; L253-W283 HydrophobicContact CD1-CB 3.68Å; L253-W283 HydrophobicContact CD1-CD2 3.83Å; L253-W283 HydrophobicContact CD1-CE3 3.85Å; L253-W283 HydrophobicContact CD1-CG 3.78Å; L253-W283 HydrophobicContact CD2-CE3 4.35Å; L253-W283 HydrophobicContact CG-CE3 4.29Å
254S90.3Very high90.7Very high82 Ų8238.9 Ų38.957%0.57323%0.231SC*.EExtended strand (participates in β ladder)trans-102.8131.5176.5620000110.2M212M212-S254 VanDerWaalsContact SD-CB 3.52Å
255G87.8Confident91.5Very high28 Ų2838.7 Ų38.729%0.28922%0.222SC..  trans-179.5-25.9169.500000114.6R281G255-R281 VanDerWaalsContact C-CZ 3.44Å; G255-R281 PolarHBondContact O-NH1 2.79Å; G255-R281 PolarHBondContact O-NH2 3.02Å
256H93Very high91.7Very high11 Ų1136.5 Ų36.55%0.05121%0.212CC..  trans-65.5144.9175.6-77.7-69000111.8V260 S273 S275 D277 T279 R281H256-V260 HydrophobicContact CB-CG2 4.23Å; H256-S273 PolarHBondContact NE2-OG 2.9Å; H256-S275 VanDerWaalsContact CE1-CB 3.44Å; H256-S275 WeakPolarHBondContact CE1-CB 3.17Å; H256-S275 WeakPolarHBondContact ND1-CB 3.44Å; H256-D277 WeakPolarHBondContact CA-OD2 3.22Å; H256-D277 IonicContact CE1-OD1 3.6Å; H256-D277 IonicContact CG-OD2 3.7Å; H256-D277 IonicContact ND1-OD1 2.73Å; H256-D277 PolarHBondContact ND1-OD1 2.89Å; H256-D277 IonicContact ND1-OD2 3.45Å; H256-D277 PolarHBondContact ND1-OD2 3.2Å; H256-T279 PolarHBondContact CE1-OG1 3.32Å; H256-T279 PolarHBondContact ND1-OG1 3.22Å; H256-R281 VanDerWaalsContact CE1-CD 3.42Å; H256-R281 WeakPolarHBondContact CE1-CD 3.3Å
257N93.1Very high91.6Very high114 Ų11440 Ų4061%0.6123%0.229SC*.SBendtrans-89.2-17.7179.3-69.8-35.2000112.8K211 D277K211-N257 VanDerWaalsContact CD-O 3.3Å; K211-N257 WeakPolarHBondContact CD-O 3.29Å; K211-N257 VanDerWaalsContact CE-O 3.29Å; K211-N257 WeakPolarHBondContact CE-O 3.46Å; K211-N257 PolarHBondContact NZ-O 3.36Å; N257-D277 HydrophobicContact CB-CB 3.95Å; N257-D277 PolarHBondContact N-OD2 2.92Å
258E95.5Very high91.4Very high90 Ų9041.4 Ų41.442%0.42124%0.24SC..SBendtrans-137.8179.7-178.9-71.6-60.5159.500111S275 W276 D277E258-S275 PolarHBondContact O-OG 2.85Å; E258-S275 VanDerWaalsContact O-OG 3.09Å; E258-W276 HydrophobicContact CB-CB 3.83Å; E258-D277 HydrophobicContact CB-CB 4.14Å; E258-D277 HydrophobicContact CG-CB 4.44Å
259A94.8Very high91.3Very high1 Ų143.1 Ų43.11%0.00825%0.245CC..  trans-50.7137.8-178.900000112.5W209 S275 W276W209-A259 HydrophobicContact CB-CB 4.46Å; W209-A259 HydrophobicContact CD2-CB 3.66Å; W209-A259 HydrophobicContact CE3-CB 3.49Å; W209-A259 VanDerWaalsContact CE3-CB 3.49Å; W209-A259 HydrophobicContact CG-CB 4.13Å; W209-A259 HydrophobicContact CH2-CB 4.39Å; W209-A259 HydrophobicContact CZ3-CB 3.89Å; A259-S275 VanDerWaalsContact O-CA 3.29Å; A259-S275 WeakPolarHBondContact O-CA 3.43Å; A259-S275 WeakPolarHBondContact O-CB 3.32Å; A259-S275 PolarHBondContact O-OG 3.3Å; A259-W276 HydrophobicContact CB-CG 4.46Å; A259-W276 PolarHBondContact O-N 2.83Å
260V96.2Very high91.3Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-87.1116173.2-176.70000107.5S208 H256 V263 A274S208-V260 PolarHBondContact O-N 3.26Å; H256-V260 HydrophobicContact CB-CG2 4.23Å; V260-V263 HydrophobicContact CG1-CG1 3.65Å; V260-A274 CarbonylContact C-O 3.49Å; V260-A274 WeakPolarHBondContact CG1-O 3.47Å
261S94.9Very high91.5Very high21 Ų2138.9 Ų38.915%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-91.7-27.2-173.369.30000113.4A274 F300 N301S261-A274 PolarHBondContact N-O 3.06Å; S261-A274 PolarHBondContact OG-O 2.75Å; S261-F300 WeakPolarHBondContact CB-O 3.49Å; S261-F300 PolarHBondContact OG-O 3.27Å; S261-N301 VanDerWaalsContact CB-O 3.28Å; S261-N301 WeakPolarHBondContact CB-O 3.38Å; S261-N301 PolarHBondContact OG-O 3.18Å
262S95Very high91.8Very high12 Ų1236.2 Ų36.28%0.08421%0.207CC..EExtended strand (participates in β ladder)trans-154.3142.4-176.6179.70000110.6S273 A274 I303S262-S273 WeakPolarHBondContact O-CA 3.3Å; S262-A274 PolarHBondContact N-O 3.46Å; S262-A274 PolarHBondContact O-N 3.27Å; S262-I303 WeakPolarHBondContact OG-CG1 3.3Å; S262-I303 PolarHBondContact OG-N 3.34Å
263V95.6Very high91.9Very high7 Ų733.3 Ų33.34%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-135.4144.8178.5-60.30000108.7A194 S196 L213 V260 C272A194-V263 HydrophobicContact CB-CG2 3.94Å; S196-V263 WeakPolarHBondContact CB-O 3.2Å; L213-V263 HydrophobicContact CD1-CB 4.23Å; L213-V263 HydrophobicContact CD1-CG1 3.46Å; L213-V263 VanDerWaalsContact CD1-CG1 3.46Å; L213-V263 HydrophobicContact CG-CG1 4.17Å; V260-V263 HydrophobicContact CG1-CG1 3.65Å; V263-C272 CarbonylContact C-O 3.59Å; V263-C272 WeakPolarHBondContact CA-O 3.33Å
264L94.6Very high92.1Very high17 Ų1733.1 Ų33.19%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-149.7149.6174.96688.7000111.3S196 C266 C272 I303 Y305 L312S196-L264 WeakPolarHBondContact OG-CA 3.23Å; L264-C266 HydrophobicContact CD1-CB 4.34Å; L264-C266 WeakPolarHBondContact CD1-SG 3.16Å; L264-C272 HydrophobicContact CD1-CB 3.55Å; L264-C272 HydrophobicContact CG-CB 3.79Å; L264-C272 PolarHBondContact N-O 2.93Å; L264-C272 PolarHBondContact O-N 2.89Å; L264-I303 HydrophobicContact CD2-CB 3.88Å; L264-I303 HydrophobicContact CD2-CD1 3.64Å; L264-I303 HydrophobicContact CD2-CG1 3.63Å; L264-I303 WeakPolarHBondContact CD2-O 3.47Å; L264-I303 HydrophobicContact CG-CD1 3.88Å; L264-I303 HydrophobicContact CG-CG1 4.32Å; L264-Y305 HydrophobicContact CD1-CG 4.41Å; L264-L312 HydrophobicContact CD1-CD2 4.35Å; L264-L312 HydrophobicContact CD2-CD2 4.24Å
265W92.6Very high92.3Very high20 Ų2029.2 Ų29.28%0.07616%0.16CC..EExtended strand (participates in β ladder)trans-83.3122.5167.1-68.380.8000109.5S196 D198 K203 C205 I215 S268 V271 V285S196-W265 VanDerWaalsContact C-CD1 3.49Å; S196-W265 VanDerWaalsContact O-CD1 3.28Å; S196-W265 PolarHBondContact O-NE1 2.95Å; S196-W265 PolarHBondContact OG-N 3.07Å; D198-W265 HydrophobicContact CB-CD2 4Å; D198-W265 HydrophobicContact CB-CE3 4.13Å; D198-W265 HydrophobicContact CB-CG 4.49Å; D198-W265 HydrophobicContact CB-CH2 4.41Å; D198-W265 HydrophobicContact CB-CZ2 4.3Å; D198-W265 HydrophobicContact CB-CZ3 4.32Å; K203-W265 HydrophobicContact CB-CH2 4.11Å; K203-W265 HydrophobicContact CB-CZ2 4.12Å; C205-W265 HydrophobicContact CB-CZ2 4.09Å; C205-W265 PolarHBondContact SG-NE1 2.9Å; I215-W265 HydrophobicContact CG2-CH2 4.26Å; I215-W265 HydrophobicContact CG2-CZ2 4.27Å; W265-S268 WeakPolarHBondContact CZ3-O 3.35Å; W265-V271 HydrophobicContact CD2-CG2 3.51Å; W265-V271 HydrophobicContact CE3-CG2 3.52Å; W265-V271 HydrophobicContact CG-CG2 4.16Å; W265-V271 HydrophobicContact CH2-CG2 3.93Å; W265-V271 HydrophobicContact CZ2-CG2 3.9Å; W265-V271 HydrophobicContact CZ3-CG2 3.76Å; W265-V285 HydrophobicContact CE3-CG2 4.49Å; W265-V285 HydrophobicContact CH2-CB 4.48Å; W265-V285 HydrophobicContact CH2-CG1 4.01Å; W265-V285 HydrophobicContact CH2-CG2 3.87Å; W265-V285 HydrophobicContact CZ3-CB 4.31Å; W265-V285 HydrophobicContact CZ3-CG1 4.24Å; W265-V285 HydrophobicContact CZ3-CG2 3.67Å
266C87.1Confident92.6Very high15 Ų1533.1 Ų33.110%0.10117%0.166CC..SBendtrans-87.3-34.5175.9-83.90000110.2L264 E270 C272 Y305L264-C266 HydrophobicContact CD1-CB 4.34Å; L264-C266 WeakPolarHBondContact CD1-SG 3.16Å; C266-E270 HydrophobicContact CB-CB 4.26Å; C266-E270 PolarHBondContact N-O 3.02Å; C266-C272 WeakPolarHBondContact CB-SG 3.35Å; C266-C272 WeakPolarHBondContact SG-CB 3.38Å; C266-C272 CovalentContact SG-SG 2.07Å; C266-C272 PolarHBondContact SG-SG 2.81Å; C266-Y305 HydrophobicContact CB-CD1 4.25Å; C266-Y305 HydrophobicContact CB-CE1 4.32Å; C266-Y305 HydrophobicContact CB-CG 4.42Å; C266-Y305 WeakPolarHBondContact O-CE1 3.41Å
267D84.6Confident92.7Very high96 Ų9633.7 Ų33.751%0.51317%0.17SC..SBendtrans-152-178.6172.1-154.8-16.8000108.8E269 E270D267-E269 PolarHBondContact O-N 2.86Å; D267-E269 VanDerWaalsContact O-N 3.15Å; D267-E270 HydrophobicContact CB-CB 4.36Å; D267-E270 PolarHBondContact N-O 2.98Å; D267-E270 PolarHBondContact O-N 2.73Å
268S82.7Confident92.6Very high37 Ų3731.8 Ų31.826%0.25916%0.157SC..SBendtrans-63.7-17.6177.358.90000114.6W265W265-S268 WeakPolarHBondContact CZ3-O 3.35Å
269E86.7Confident92.5Very high85 Ų8528.3 Ų28.340%0.39714%0.142SC..SBendtrans-118.1-10.2-177-65.8174.7-165.900113.1D267 V285 E286D267-E269 PolarHBondContact O-N 2.86Å; D267-E269 VanDerWaalsContact O-N 3.15Å; E269-V285 WeakPolarHBondContact O-CB 3.48Å; E269-V285 WeakPolarHBondContact O-CG2 3.43Å; E269-V285 PolarHBondContact O-N 3.21Å; E269-E286 HydrophobicContact CG-CG 4.18Å
270E91Very high92.5Very high58 Ų5828.4 Ų28.427%0.27114%0.142SC..EExtended strand (participates in β ladder)trans-120.7125-174.4-66.5-164.4154.800111.9C266 D267 L282 W283 K291C266-E270 HydrophobicContact CB-CB 4.26Å; C266-E270 PolarHBondContact N-O 3.02Å; D267-E270 HydrophobicContact CB-CB 4.36Å; D267-E270 PolarHBondContact N-O 2.98Å; D267-E270 PolarHBondContact O-N 2.73Å; E270-L282 HydrophobicContact CB-CD1 4.18Å; E270-W283 WeakPolarHBondContact CA-O 3.33Å; E270-K291 WeakPolarHBondContact OE1-CD 2.88Å; E270-K291 IonicContact OE1-NZ 3.54Å; E270-K291 PolarHBondContact OE1-NZ 2.84Å
271V93.5Very high92.3Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-113.4134.5175.9170.80000109.9C205 L213 W265 L282 W283 V285C205-V271 HydrophobicContact CB-CG1 4.36Å; C205-V271 HydrophobicContact CB-CG2 4.46Å; L213-V271 HydrophobicContact CD1-CG1 3.96Å; L213-V271 HydrophobicContact CD2-CG1 4.14Å; W265-V271 HydrophobicContact CD2-CG2 3.51Å; W265-V271 HydrophobicContact CE3-CG2 3.52Å; W265-V271 HydrophobicContact CG-CG2 4.16Å; W265-V271 HydrophobicContact CH2-CG2 3.93Å; W265-V271 HydrophobicContact CZ2-CG2 3.9Å; W265-V271 HydrophobicContact CZ3-CG2 3.76Å; V271-L282 CarbonylContact O-C 3.55Å; V271-L282 WeakPolarHBondContact O-CA 3.31Å; V271-W283 HydrophobicContact CB-CB 4.45Å; V271-W283 PolarHBondContact N-O 3.25Å; V271-W283 PolarHBondContact O-N 3.2Å; V271-V285 HydrophobicContact CB-CG2 4.15Å; V271-V285 HydrophobicContact CG2-CG2 3.49Å; V271-V285 VanDerWaalsContact CG2-CG2 3.49Å
272C94.3Very high92.2Very high1 Ų129.4 Ų29.41%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-108135.8177.4-66.50000108.4V263 L264 C266 R281 L282 I303 L312V263-C272 CarbonylContact C-O 3.59Å; V263-C272 WeakPolarHBondContact CA-O 3.33Å; L264-C272 HydrophobicContact CD1-CB 3.55Å; L264-C272 HydrophobicContact CG-CB 3.79Å; L264-C272 PolarHBondContact N-O 2.93Å; L264-C272 PolarHBondContact O-N 2.89Å; C266-C272 WeakPolarHBondContact CB-SG 3.35Å; C266-C272 WeakPolarHBondContact SG-CB 3.38Å; C266-C272 CovalentContact SG-SG 2.07Å; C266-C272 PolarHBondContact SG-SG 2.81Å; C272-R281 WeakPolarHBondContact CA-O 3.24Å; C272-L282 WeakPolarHBondContact SG-CD1 3.37Å; C272-I303 HydrophobicContact CB-CD1 4.15Å; C272-L312 HydrophobicContact CB-CD2 4.4Å
273S94.9Very high92.1Very high0 Ų029.1 Ų29.10%014%0.141CC..EExtended strand (participates in β ladder)trans-138.1142.8-178.361.60000111.3L213 H256 S262 I280 R281 W283L213-S273 VanDerWaalsContact CD1-CB 3.47Å; H256-S273 PolarHBondContact NE2-OG 2.9Å; S262-S273 WeakPolarHBondContact O-CA 3.3Å; S273-I280 CarbonylContact O-C 3.52Å; S273-I280 WeakPolarHBondContact O-CA 3.28Å; S273-I280 WeakPolarHBondContact O-CG2 3.34Å; S273-R281 PolarHBondContact N-O 2.8Å; S273-R281 PolarHBondContact O-N 2.76Å; S273-R281 PolarHBondContact OG-O 3.19Å; S273-W283 PolarHBondContact OG-NE1 2.83Å
274A95.1Very high91.9Very high0 Ų030.1 Ų30.10%015%0.146CC..EExtended strand (participates in β ladder)trans-122.1142.9177.600000110.4V260 S261 S262 I280 F300 I303V260-A274 CarbonylContact C-O 3.49Å; V260-A274 WeakPolarHBondContact CG1-O 3.47Å; S261-A274 PolarHBondContact N-O 3.06Å; S261-A274 PolarHBondContact OG-O 2.75Å; S262-A274 PolarHBondContact N-O 3.46Å; S262-A274 PolarHBondContact O-N 3.27Å; A274-I280 HydrophobicContact CB-CG1 4.2Å; A274-F300 HydrophobicContact CB-CB 3.82Å; A274-F300 HydrophobicContact CB-CG 4.48Å; A274-I303 HydrophobicContact CB-CB 4.35Å; A274-I303 HydrophobicContact CB-CD1 3.97Å; A274-I303 HydrophobicContact CB-CG1 3.85Å; A274-I303 HydrophobicContact CB-CG2 3.6Å
275S95.3Very high91.6Very high0 Ų029.7 Ų29.70%014%0.144CC..EExtended strand (participates in β ladder)trans-139.6163.3-172.7174.20000112.8H256 E258 A259 D277 H278 T279 F300H256-S275 VanDerWaalsContact CE1-CB 3.44Å; H256-S275 WeakPolarHBondContact CE1-CB 3.17Å; H256-S275 WeakPolarHBondContact ND1-CB 3.44Å; E258-S275 PolarHBondContact O-OG 2.85Å; E258-S275 VanDerWaalsContact O-OG 3.09Å; A259-S275 VanDerWaalsContact O-CA 3.29Å; A259-S275 WeakPolarHBondContact O-CA 3.43Å; A259-S275 WeakPolarHBondContact O-CB 3.32Å; A259-S275 PolarHBondContact O-OG 3.3Å; S275-D277 VanDerWaalsContact CB-OD1 3.3Å; S275-D277 WeakPolarHBondContact CB-OD1 3.39Å; S275-D277 PolarHBondContact O-N 2.99Å; S275-D277 PolarHBondContact OG-N 2.77Å; S275-D277 PolarHBondContact OG-OD1 2.86Å; S275-H278 PolarHBondContact O-N 3.49Å; S275-T279 PolarHBondContact N-O 2.71Å; S275-T279 VanDerWaalsContact N-O 3.16Å; S275-F300 PolarHBondContact O-N 3.24Å
276W95Very high91.4Very high110 Ų11035.5 Ų35.542%0.41717%0.172SC..THydrogen-bonded Turntrans-70.1-5.7170.5-71.733000113.4W209 E258 A259 H278 V299W209-W276 HydrophobicContact CH2-CE3 4.12Å; W209-W276 AromaticContact CH2-CH2 3.79Å; W209-W276 HydrophobicContact CH2-CH2 3.79Å; W209-W276 HydrophobicContact CH2-CZ2 4.23Å; W209-W276 AromaticContact CH2-CZ3 3.73Å; W209-W276 HydrophobicContact CH2-CZ3 3.73Å; W209-W276 HydrophobicContact CZ3-CH2 4.13Å; W209-W276 HydrophobicContact CZ3-CZ2 4.12Å; W209-W276 HydrophobicContact CZ3-CZ3 4.4Å; E258-W276 HydrophobicContact CB-CB 3.83Å; A259-W276 HydrophobicContact CB-CG 4.46Å; A259-W276 PolarHBondContact O-N 2.83Å; W276-H278 PolarHBondContact O-CD2 3.26Å; W276-H278 VanDerWaalsContact O-CD2 3.28Å; W276-H278 PolarHBondContact O-N 3.25Å; W276-V299 HydrophobicContact CB-CG1 4.05Å; W276-V299 HydrophobicContact CB-CG2 4.37Å; W276-V299 VanDerWaalsContact CD1-CG1 3.46Å; W276-V299 HydrophobicContact CD2-CG1 3.85Å; W276-V299 HydrophobicContact CG-CG1 3.53Å
277D93.4Very high91.4Very high24 Ų2437.9 Ų37.913%0.12819%0.193CC..THydrogen-bonded Turntrans-78.49.1170.7722.2000113.6H256 N257 E258 S275 T279 R281H256-D277 WeakPolarHBondContact CA-OD2 3.22Å; H256-D277 IonicContact CE1-OD1 3.6Å; H256-D277 IonicContact CG-OD2 3.7Å; H256-D277 IonicContact ND1-OD1 2.73Å; H256-D277 PolarHBondContact ND1-OD1 2.89Å; H256-D277 IonicContact ND1-OD2 3.45Å; H256-D277 PolarHBondContact ND1-OD2 3.2Å; N257-D277 HydrophobicContact CB-CB 3.95Å; N257-D277 PolarHBondContact N-OD2 2.92Å; E258-D277 HydrophobicContact CB-CB 4.14Å; E258-D277 HydrophobicContact CG-CB 4.44Å; S275-D277 VanDerWaalsContact CB-OD1 3.3Å; S275-D277 WeakPolarHBondContact CB-OD1 3.39Å; S275-D277 PolarHBondContact O-N 2.99Å; S275-D277 PolarHBondContact OG-N 2.77Å; S275-D277 PolarHBondContact OG-OD1 2.86Å; D277-T279 PolarHBondContact O-N 3.1Å; D277-T279 WeakPolarHBondContact OD1-CA 3.42Å; D277-T279 VanDerWaalsContact OD1-CB 3.31Å; D277-T279 WeakPolarHBondContact OD1-CB 3.13Å; D277-T279 PolarHBondContact OD1-N 3.32Å; D277-T279 PolarHBondContact OD1-OG1 2.93Å; D277-T279 PolarHBondContact OD2-OG1 2.95Å; D277-R281 IonicContact OD2-NH2 3.68Å; D277-R281 PolarHBondContact OD2-NH2 2.89Å
278H92.8Very high91.4Very high73 Ų7334.6 Ų34.634%0.33818%0.182SC..SBendtrans65.221.6-176.8-47171.9000113.4S275 W276 G296 V299 F300S275-H278 PolarHBondContact O-N 3.49Å; W276-H278 PolarHBondContact O-CD2 3.26Å; W276-H278 VanDerWaalsContact O-CD2 3.28Å; W276-H278 PolarHBondContact O-N 3.25Å; H278-G296 PolarHBondContact O-N 2.96Å; H278-V299 PolarHBondContact CD2-N 3.47Å; H278-F300 WeakPolarHBondContact O-CE2 3.48Å
279T92.7Very high91.7Very high17 Ų1737 Ų3710%0.10420%0.195CC..EExtended strand (participates in β ladder)trans-117.8145.8176.873.80000112.4H256 S275 D277 R281 T293 L294H256-T279 PolarHBondContact CE1-OG1 3.32Å; H256-T279 PolarHBondContact ND1-OG1 3.22Å; S275-T279 PolarHBondContact N-O 2.71Å; S275-T279 VanDerWaalsContact N-O 3.16Å; D277-T279 PolarHBondContact O-N 3.1Å; D277-T279 WeakPolarHBondContact OD1-CA 3.42Å; D277-T279 VanDerWaalsContact OD1-CB 3.31Å; D277-T279 WeakPolarHBondContact OD1-CB 3.13Å; D277-T279 PolarHBondContact OD1-N 3.32Å; D277-T279 PolarHBondContact OD1-OG1 2.93Å; D277-T279 PolarHBondContact OD2-OG1 2.95Å; T279-R281 PolarHBondContact OG1-NE 3.22Å; T279-T293 HydrophobicContact CG2-CG2 3.97Å; T279-L294 CarbonylContact C-O 3.58Å; T279-L294 VanDerWaalsContact CA-O 3.32Å; T279-L294 WeakPolarHBondContact CA-O 3.32Å
280I93.8Very high91.8Very high3 Ų336.5 Ų36.52%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-107.7127.1161.4-57.8167.1000106.4S273 A274 L294 F300 I303 L312S273-I280 CarbonylContact O-C 3.52Å; S273-I280 WeakPolarHBondContact O-CA 3.28Å; S273-I280 WeakPolarHBondContact O-CG2 3.34Å; A274-I280 HydrophobicContact CB-CG1 4.2Å; I280-L294 HydrophobicContact CB-CB 4.19Å; I280-L294 HydrophobicContact CB-CD1 4.42Å; I280-L294 HydrophobicContact CG2-CD1 4.38Å; I280-L294 PolarHBondContact N-O 3.21Å; I280-L294 PolarHBondContact O-N 3.37Å; I280-F300 HydrophobicContact CD1-CD1 4.19Å; I280-F300 HydrophobicContact CD1-CD2 4.38Å; I280-F300 HydrophobicContact CD1-CE1 3.9Å; I280-F300 HydrophobicContact CD1-CE2 4.08Å; I280-F300 HydrophobicContact CD1-CG 4.42Å; I280-F300 HydrophobicContact CD1-CZ 3.84Å; I280-F300 HydrophobicContact CG1-CD1 4.4Å; I280-F300 HydrophobicContact CG1-CD2 3.78Å; I280-F300 HydrophobicContact CG1-CE1 4.35Å; I280-F300 HydrophobicContact CG1-CE2 3.7Å; I280-F300 HydrophobicContact CG1-CG 4.14Å; I280-F300 HydrophobicContact CG1-CZ 4Å; I280-I303 HydrophobicContact CD1-CG2 3.92Å; I280-I303 HydrophobicContact CG1-CG2 4.24Å; I280-L312 HydrophobicContact CG2-CD1 4.44Å
281R92.8Very high91.7Very high29 Ų2938 Ų3811%0.10920%0.199CC..EExtended strand (participates in β ladder)trans-118.1137-178.9-65.9-179.9-171.6-156.815.8110.8G255 H256 C272 S273 D277 T279 W283 M290 T292 T293G255-R281 VanDerWaalsContact C-CZ 3.44Å; G255-R281 PolarHBondContact O-NH1 2.79Å; G255-R281 PolarHBondContact O-NH2 3.02Å; H256-R281 VanDerWaalsContact CE1-CD 3.42Å; H256-R281 WeakPolarHBondContact CE1-CD 3.3Å; C272-R281 WeakPolarHBondContact CA-O 3.24Å; S273-R281 PolarHBondContact N-O 2.8Å; S273-R281 PolarHBondContact O-N 2.76Å; S273-R281 PolarHBondContact OG-O 3.19Å; D277-R281 IonicContact OD2-NH2 3.68Å; D277-R281 PolarHBondContact OD2-NH2 2.89Å; T279-R281 PolarHBondContact OG1-NE 3.22Å; R281-W283 HydrophobicContact CB-CZ2 4.04Å; R281-M290 HydrophobicContact CB-CG 4.43Å; R281-M290 HydrophobicContact CG-SD 4.07Å; R281-T292 WeakPolarHBondContact CA-O 3.43Å; R281-T293 HydrophobicContact CG-CG2 4.14Å
282L92.8Very high91.5Very high13 Ų1339.3 Ų39.37%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-99.6130.6170.1-172.669.3000108.6E270 V271 C272 K291 T292E270-L282 HydrophobicContact CB-CD1 4.18Å; V271-L282 CarbonylContact O-C 3.55Å; V271-L282 WeakPolarHBondContact O-CA 3.31Å; C272-L282 WeakPolarHBondContact SG-CD1 3.37Å; L282-K291 HydrophobicContact CB-CB 4.41Å; L282-K291 HydrophobicContact CD2-CB 4.22Å; L282-K291 HydrophobicContact CD2-CD 4.31Å; L282-K291 HydrophobicContact CG-CB 4.32Å; L282-K291 PolarHBondContact O-N 3.12Å; L282-T292 VanDerWaalsContact CB-OG1 3.23Å; L282-T292 WeakPolarHBondContact CB-OG1 3.44Å; L282-T292 PolarHBondContact N-O 2.87Å
283W92.9Very high91.3Very high7 Ų741.4 Ų41.43%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-118.7137.4-177.3-55.490.2000110L253 E270 V271 S273 R281 M290L253-W283 HydrophobicContact CB-CD2 4.29Å; L253-W283 HydrophobicContact CB-CE3 3.95Å; L253-W283 HydrophobicContact CB-CH2 4.41Å; L253-W283 HydrophobicContact CB-CZ3 4.01Å; L253-W283 HydrophobicContact CD1-CB 3.68Å; L253-W283 HydrophobicContact CD1-CD2 3.83Å; L253-W283 HydrophobicContact CD1-CE3 3.85Å; L253-W283 HydrophobicContact CD1-CG 3.78Å; L253-W283 HydrophobicContact CD2-CE3 4.35Å; L253-W283 HydrophobicContact CG-CE3 4.29Å; E270-W283 WeakPolarHBondContact CA-O 3.33Å; V271-W283 HydrophobicContact CB-CB 4.45Å; V271-W283 PolarHBondContact N-O 3.25Å; V271-W283 PolarHBondContact O-N 3.2Å; S273-W283 PolarHBondContact OG-NE1 2.83Å; R281-W283 HydrophobicContact CB-CZ2 4.04Å; W283-M290 HydrophobicContact CE3-CB 3.88Å; W283-M290 HydrophobicContact CE3-CG 4.49Å; W283-M290 HydrophobicContact CH2-CB 4.39Å; W283-M290 HydrophobicContact CZ3-CB 3.8Å; W283-M290 HydrophobicContact CZ3-CG 4.44Å
284D91.8Very high91Very high28 Ų2841.8 Ų41.815%0.1522%0.222CC..EExtended strand (participates in β ladder)trans-87118.8165-167.5-49000108.8E286 A287 G288 V289 K291D284-E286 PolarHBondContact OD1-N 3Å; D284-A287 HydrophobicContact CB-CB 4.12Å; D284-A287 PolarHBondContact OD1-N 3.23Å; D284-G288 VanDerWaalsContact O-CA 3.26Å; D284-G288 WeakPolarHBondContact O-CA 3.38Å; D284-G288 PolarHBondContact O-N 2.96Å; D284-V289 PolarHBondContact N-O 2.75Å; D284-V289 PolarHBondContact O-N 2.87Å; D284-K291 HydrophobicContact CB-CD 3.97Å; D284-K291 HydrophobicContact CB-CG 4.09Å; D284-K291 WeakPolarHBondContact OD2-CE 3.33Å; D284-K291 IonicContact OD2-NZ 3.35Å; D284-K291 PolarHBondContact OD2-NZ 3.38Å
285V88.6Confident90.7Very high8 Ų844.6 Ų44.65%0.04824%0.241CC..THydrogen-bonded Turntrans-74.8-29.9-177.3172.50000112.1I215 M251 W265 E269 V271I215-V285 HydrophobicContact CD1-CB 4.08Å; I215-V285 HydrophobicContact CD1-CG1 3.6Å; I215-V285 HydrophobicContact CD1-CG2 3.71Å; M251-V285 WeakPolarHBondContact CE-O 3.36Å; W265-V285 HydrophobicContact CE3-CG2 4.49Å; W265-V285 HydrophobicContact CH2-CB 4.48Å; W265-V285 HydrophobicContact CH2-CG1 4.01Å; W265-V285 HydrophobicContact CH2-CG2 3.87Å; W265-V285 HydrophobicContact CZ3-CB 4.31Å; W265-V285 HydrophobicContact CZ3-CG1 4.24Å; W265-V285 HydrophobicContact CZ3-CG2 3.67Å; E269-V285 WeakPolarHBondContact O-CB 3.48Å; E269-V285 WeakPolarHBondContact O-CG2 3.43Å; E269-V285 PolarHBondContact O-N 3.21Å; V271-V285 HydrophobicContact CB-CG2 4.15Å; V271-V285 HydrophobicContact CG2-CG2 3.49Å; V271-V285 VanDerWaalsContact CG2-CG2 3.49Å
286E86.9Confident90.3Very high141 Ų14145.6 Ų45.666%0.65925%0.252SS*.THydrogen-bonded Turntrans-77.6-43.8179.6-61.6-159.7148.800111.2E269 D284E269-E286 HydrophobicContact CG-CG 4.18Å; D284-E286 PolarHBondContact OD1-N 3Å
287A87.1Confident89.9Confident65 Ų6544.4 Ų44.454%0.53726%0.26SS..THydrogen-bonded Turntrans-79.2-24.117900000112.6D284 V289D284-A287 HydrophobicContact CB-CB 4.12Å; D284-A287 PolarHBondContact OD1-N 3.23Å; A287-V289 VanDerWaalsContact C-N 3.25Å; A287-V289 HydrophobicContact CB-CB 4.35Å; A287-V289 HydrophobicContact CB-CG2 4.05Å; A287-V289 WeakPolarHBondContact O-CG2 3.38Å; A287-V289 PolarHBondContact O-N 2.82Å
288G85.3Confident89.8Confident27 Ų2747.2 Ų47.228%0.27827%0.271SS..THydrogen-bonded Turntrans6726.4-172.100000113.4M251 D284M251-G288 WeakPolarHBondContact SD-CA 3.42Å; D284-G288 VanDerWaalsContact O-CA 3.26Å; D284-G288 WeakPolarHBondContact O-CA 3.38Å; D284-G288 PolarHBondContact O-N 2.96Å
289V89.2Confident89.8Confident88 Ų8844.8 Ų44.853%0.53326%0.261SS..EExtended strand (participates in β ladder)trans-117.9145.6-174.1-172.80000110.5D284 A287 K291D284-V289 PolarHBondContact N-O 2.75Å; D284-V289 PolarHBondContact O-N 2.87Å; A287-V289 VanDerWaalsContact C-N 3.25Å; A287-V289 HydrophobicContact CB-CB 4.35Å; A287-V289 HydrophobicContact CB-CG2 4.05Å; A287-V289 WeakPolarHBondContact O-CG2 3.38Å; A287-V289 PolarHBondContact O-N 2.82Å; V289-K291 PolarHBondContact O-N 2.89Å
290M89.5Confident89.9Confident75 Ų7544 Ų4437%0.36926%0.257SS..EExtended strand (participates in β ladder)trans-71.4121.2171.2-173.4-173.377.300110.5R281 W283 T293R281-M290 HydrophobicContact CB-CG 4.43Å; R281-M290 HydrophobicContact CG-SD 4.07Å; W283-M290 HydrophobicContact CE3-CB 3.88Å; W283-M290 HydrophobicContact CE3-CG 4.49Å; W283-M290 HydrophobicContact CH2-CB 4.39Å; W283-M290 HydrophobicContact CZ3-CB 3.8Å; W283-M290 HydrophobicContact CZ3-CG 4.44Å; M290-T293 WeakPolarHBondContact CE-OG1 3.45Å; M290-T293 PolarHBondContact SD-OG1 2.98Å
291K88.4Confident89.9Confident90 Ų9045.2 Ų45.239%0.39126%0.263SS..EExtended strand (participates in β ladder)trans-82.3-55.9178.5-84174.6162.5161.80112E270 L282 D284 V289E270-K291 WeakPolarHBondContact OE1-CD 2.88Å; E270-K291 IonicContact OE1-NZ 3.54Å; E270-K291 PolarHBondContact OE1-NZ 2.84Å; L282-K291 HydrophobicContact CB-CB 4.41Å; L282-K291 HydrophobicContact CD2-CB 4.22Å; L282-K291 HydrophobicContact CD2-CD 4.31Å; L282-K291 HydrophobicContact CG-CB 4.32Å; L282-K291 PolarHBondContact O-N 3.12Å; D284-K291 HydrophobicContact CB-CD 3.97Å; D284-K291 HydrophobicContact CB-CG 4.09Å; D284-K291 WeakPolarHBondContact OD2-CE 3.33Å; D284-K291 IonicContact OD2-NZ 3.35Å; D284-K291 PolarHBondContact OD2-NZ 3.38Å; V289-K291 PolarHBondContact O-N 2.89Å
292T88.3Confident90Very high26 Ų2645 Ų4516%0.1627%0.265CS..EExtended strand (participates in β ladder)trans-139.2153.2-17559.40000111R281 L282R281-T292 WeakPolarHBondContact CA-O 3.43Å; L282-T292 VanDerWaalsContact CB-OG1 3.23Å; L282-T292 WeakPolarHBondContact CB-OG1 3.44Å; L282-T292 PolarHBondContact N-O 2.87Å
293T90.3Very high90.1Very high46 Ų4644.7 Ų44.728%0.28226%0.264SS..EExtended strand (participates in β ladder)trans-127.6119.4174.1-53.10000108.3T279 R281 M290T279-T293 HydrophobicContact CG2-CG2 3.97Å; R281-T293 HydrophobicContact CG-CG2 4.14Å; M290-T293 WeakPolarHBondContact CE-OG1 3.45Å; M290-T293 PolarHBondContact SD-OG1 2.98Å
294L89.8Confident90.2Very high7 Ų744.8 Ų44.84%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-99123.3172.2-48.7173.8000107.2T279 I280 L312 W324 G331T279-L294 CarbonylContact C-O 3.58Å; T279-L294 VanDerWaalsContact CA-O 3.32Å; T279-L294 WeakPolarHBondContact CA-O 3.32Å; I280-L294 HydrophobicContact CB-CB 4.19Å; I280-L294 HydrophobicContact CB-CD1 4.42Å; I280-L294 HydrophobicContact CG2-CD1 4.38Å; I280-L294 PolarHBondContact N-O 3.21Å; I280-L294 PolarHBondContact O-N 3.37Å; L294-L312 HydrophobicContact CD1-CD1 4.34Å; L294-W324 HydrophobicContact CB-CE3 4.09Å; L294-W324 HydrophobicContact CB-CZ3 4.31Å; L294-W324 HydrophobicContact CD1-CB 3.91Å; L294-W324 HydrophobicContact CD1-CD2 4.44Å; L294-W324 HydrophobicContact CD1-CE3 4.34Å; L294-W324 HydrophobicContact CD1-CG 4.29Å; L294-G331 CarbonylContact C-O 3.52Å; L294-G331 WeakPolarHBondContact CA-O 3.13Å
295S89.1Confident90.3Very high60 Ų6045.6 Ų45.642%0.4227%0.267SS..EExtended strand (participates in β ladder)trans-104.8123.7-175.8-55.50000109.8G331S295-G331 PolarHBondContact N-O 3.09Å
296G86.1Confident90.4Very high21 Ų2145.2 Ų45.222%0.21627%0.265CS..  trans-100173173.300000112.4H278H278-G296 PolarHBondContact O-N 2.96Å
297S86.4Confident90.4Very high84 Ų8442.7 Ų42.759%0.58726%0.26SS*.SBendtrans-88.1-13.3174.858.40000113.7
298K90.6Very high90.3Very high83 Ų8343.6 Ų43.636%0.36126%0.256SS..SBendtrans-141.6165.4-171-73.3174.9176.9-86.30111.3D318K298-D318 HydrophobicContact CD-CB 3.48Å; K298-D318 VanDerWaalsContact CD-CB 3.48Å; K298-D318 VanDerWaalsContact CD-OD2 3.27Å; K298-D318 WeakPolarHBondContact CD-OD2 3.4Å
299V93.3Very high90.2Very high22 Ų2243.3 Ų43.313%0.13325%0.249CC..  trans-58.7134.4173170.30000110.2W276 H278 S316 T317W276-V299 HydrophobicContact CB-CG1 4.05Å; W276-V299 HydrophobicContact CB-CG2 4.37Å; W276-V299 VanDerWaalsContact CD1-CG1 3.46Å; W276-V299 HydrophobicContact CD2-CG1 3.85Å; W276-V299 HydrophobicContact CG-CG1 3.53Å; H278-V299 PolarHBondContact CD2-N 3.47Å; V299-S316 CarbonylContact O-C 3.28Å; V299-S316 WeakPolarHBondContact O-CA 3.12Å; V299-S316 VanDerWaalsContact O-CB 3.31Å; V299-S316 WeakPolarHBondContact O-CB 3.47Å; V299-T317 HydrophobicContact CB-CG2 3.63Å; V299-T317 HydrophobicContact CG1-CG2 3.68Å; V299-T317 PolarHBondContact O-N 3.09Å
300F94.6Very high90.1Very high1 Ų145 Ų450%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-91.2141.5171-65.2-69.9000110.3S261 A274 S275 H278 I280 S314 A315 S316 W324S261-F300 WeakPolarHBondContact CB-O 3.49Å; S261-F300 PolarHBondContact OG-O 3.27Å; A274-F300 HydrophobicContact CB-CB 3.82Å; A274-F300 HydrophobicContact CB-CG 4.48Å; S275-F300 PolarHBondContact O-N 3.24Å; H278-F300 WeakPolarHBondContact O-CE2 3.48Å; I280-F300 HydrophobicContact CD1-CD1 4.19Å; I280-F300 HydrophobicContact CD1-CD2 4.38Å; I280-F300 HydrophobicContact CD1-CE1 3.9Å; I280-F300 HydrophobicContact CD1-CE2 4.08Å; I280-F300 HydrophobicContact CD1-CG 4.42Å; I280-F300 HydrophobicContact CD1-CZ 3.84Å; I280-F300 HydrophobicContact CG1-CD1 4.4Å; I280-F300 HydrophobicContact CG1-CD2 3.78Å; I280-F300 HydrophobicContact CG1-CE1 4.35Å; I280-F300 HydrophobicContact CG1-CE2 3.7Å; I280-F300 HydrophobicContact CG1-CG 4.14Å; I280-F300 HydrophobicContact CG1-CZ 4Å; F300-S314 WeakPolarHBondContact CE1-OG 3.42Å; F300-A315 WeakPolarHBondContact CA-O 3.47Å; F300-S316 VanDerWaalsContact CD1-OG 3.26Å; F300-S316 WeakPolarHBondContact CD1-OG 3.14Å; F300-S316 WeakPolarHBondContact CE1-OG 3.5Å; F300-W324 AromaticContact CE1-CZ2 3.95Å; F300-W324 HydrophobicContact CE1-CZ2 3.95Å; F300-W324 HydrophobicContact CZ-CH2 4.26Å; F300-W324 AromaticContact CZ-CZ2 3.68Å; F300-W324 HydrophobicContact CZ-CZ2 3.68Å
301N94.4Very high90.1Very high29 Ų2945.3 Ų45.316%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-103.6-52.9176.3-69.2-30.9000110.2S261 A315 S316 I345S261-N301 VanDerWaalsContact CB-O 3.28Å; S261-N301 WeakPolarHBondContact CB-O 3.38Å; S261-N301 PolarHBondContact OG-O 3.18Å; N301-A315 PolarHBondContact N-O 3.39Å; N301-S316 PolarHBondContact ND2-O 2.82Å; N301-I345 WeakPolarHBondContact CB-O 3.33Å; N301-I345 PolarHBondContact ND2-O 2.73Å
302C94.8Very high90.3Very high23 Ų2341.1 Ų41.116%0.15523%0.225CC..EExtended strand (participates in β ladder)trans-139.2151-175.7-1790000110.6A315 T346 V348C302-A315 HydrophobicContact CB-CB 4.02Å; C302-A315 PolarHBondContact O-N 3.38Å; C302-T346 WeakPolarHBondContact CB-O 3.29Å; C302-V348 HydrophobicContact CB-CG1 4.43Å
303I95.3Very high90.6Very high8 Ų839.9 Ų39.94%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-128.8150.4170.744.9163.2000110S262 L264 C272 A274 I280 A313S262-I303 WeakPolarHBondContact OG-CG1 3.3Å; S262-I303 PolarHBondContact OG-N 3.34Å; L264-I303 HydrophobicContact CD2-CB 3.88Å; L264-I303 HydrophobicContact CD2-CD1 3.64Å; L264-I303 HydrophobicContact CD2-CG1 3.63Å; L264-I303 WeakPolarHBondContact CD2-O 3.47Å; L264-I303 HydrophobicContact CG-CD1 3.88Å; L264-I303 HydrophobicContact CG-CG1 4.32Å; C272-I303 HydrophobicContact CB-CD1 4.15Å; A274-I303 HydrophobicContact CB-CB 4.35Å; A274-I303 HydrophobicContact CB-CD1 3.97Å; A274-I303 HydrophobicContact CB-CG1 3.85Å; A274-I303 HydrophobicContact CB-CG2 3.6Å; I280-I303 HydrophobicContact CD1-CG2 3.92Å; I280-I303 HydrophobicContact CG1-CG2 4.24Å; I303-A313 CarbonylContact C-O 3.56Å; I303-A313 VanDerWaalsContact CA-O 3.31Å; I303-A313 WeakPolarHBondContact CA-O 3.13Å
304S95.1Very high90.8Very high9 Ų937.7 Ų37.76%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-139.3141.8172.3-168.20000110.1L312 A313 V348 K349 W350S304-L312 CarbonylContact O-C 3.58Å; S304-L312 WeakPolarHBondContact O-CA 3.45Å; S304-A313 PolarHBondContact N-O 2.93Å; S304-A313 PolarHBondContact O-N 3.36Å; S304-V348 WeakPolarHBondContact CB-O 3.34Å; S304-K349 WeakPolarHBondContact OG-CA 3.37Å; S304-W350 VanDerWaalsContact C-CD1 3.47Å; S304-W350 VanDerWaalsContact O-CD1 3.32Å; S304-W350 PolarHBondContact O-NE1 3.47Å; S304-W350 PolarHBondContact OG-N 3.39Å; S304-W350 VanDerWaalsContact OG-N 3.1Å
305Y93.1Very high91Very high44 Ų4437.3 Ų37.317%0.17320%0.202CC..EExtended strand (participates in β ladder)trans-114.2135.8178.3179.7-111.6000110.1L264 C266 P307 R311 L312 P326L264-Y305 HydrophobicContact CD1-CG 4.41Å; C266-Y305 HydrophobicContact CB-CD1 4.25Å; C266-Y305 HydrophobicContact CB-CE1 4.32Å; C266-Y305 HydrophobicContact CB-CG 4.42Å; C266-Y305 WeakPolarHBondContact O-CE1 3.41Å; Y305-P307 HydrophobicContact CE1-CB 4.28Å; Y305-R311 WeakPolarHBondContact CD2-O 3.46Å; Y305-L312 HydrophobicContact CD2-CD2 3.79Å; Y305-L312 HydrophobicContact CD2-CG 3.99Å; Y305-L312 HydrophobicContact CG-CD2 4.18Å; Y305-P326 HydrophobicContact CE2-CG 4.37Å
306S91.4Very high91.1Very high0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-102.6121.3168.1173.80000109.5L308 C309 R310 R311S306-L308 PolarHBondContact O-N 3Å; S306-L308 PolarHBondContact OG-N 3.33Å; S306-C309 WeakPolarHBondContact CB-SG 3.34Å; S306-R310 WeakPolarHBondContact O-CA 3.35Å; S306-R310 PolarHBondContact O-N 2.85Å; S306-R311 PolarHBondContact N-O 3.03Å
307P85.6Confident91.4Very high88 Ų8835 Ų3557%0.57118%0.181SC*.THydrogen-bonded Turntrans-69.6-21.7175.328.8-33.8000112.5Y305Y305-P307 HydrophobicContact CE1-CB 4.28Å
308L86.1Confident91.7Very high85 Ų8531.7 Ų31.745%0.44516%0.157SC..THydrogen-bonded Turntrans-71.3-58.6-178.9-61.6175.8000111.3S306 P352 E355S306-L308 PolarHBondContact O-N 3Å; S306-L308 PolarHBondContact OG-N 3.33Å; L308-P352 WeakPolarHBondContact CD1-O 3.09Å; L308-E355 HydrophobicContact CB-CB 4.14Å; L308-E355 HydrophobicContact CB-CG 4.13Å; L308-E355 HydrophobicContact CD1-CB 4.5Å
309C83.5Confident91.7Very high20 Ų2033.9 Ų33.914%0.13516%0.163CC..THydrogen-bonded Turntrans-87.2-9177.956.60000113.6S306 R311 E355S306-C309 WeakPolarHBondContact CB-SG 3.34Å; C309-R311 VanDerWaalsContact C-N 3.25Å; C309-R311 HydrophobicContact CB-CG 4.05Å; C309-R311 PolarHBondContact O-N 2.85Å; C309-E355 HydrophobicContact CB-CG 3.5Å; C309-E355 WeakPolarHBondContact CB-OE1 3.29Å; C309-E355 PolarHBondContact SG-O 3.23Å
310R86.8Confident91.6Very high125 Ų12534.8 Ų34.847%0.47217%0.165SC..THydrogen-bonded Turntrans56.138.3-174.3-58.9178.4164.5-176.8-9.6112.8S306 P326S306-R310 WeakPolarHBondContact O-CA 3.35Å; S306-R310 PolarHBondContact O-N 2.85Å; R310-P326 WeakPolarHBondContact O-CD 3.39Å
311R90.2Very high91.5Very high80 Ų8034.7 Ų34.730%0.30217%0.165SC..EExtended strand (participates in β ladder)trans-114.1149.1179.5-60.2-178.3-173.9-168.92.5111.3Y305 S306 C309 W350Y305-R311 WeakPolarHBondContact CD2-O 3.46Å; S306-R311 PolarHBondContact N-O 3.03Å; C309-R311 VanDerWaalsContact C-N 3.25Å; C309-R311 HydrophobicContact CB-CG 4.05Å; C309-R311 PolarHBondContact O-N 2.85Å; R311-W350 HydrophobicContact CB-CZ2 4.11Å
312L92.3Very high91.4Very high2 Ų234.9 Ų34.91%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-99.7133.3170.7-74.6167.4000109.7L264 C272 I280 L294 S304 Y305 L323 W324 P326L264-L312 HydrophobicContact CD1-CD2 4.35Å; L264-L312 HydrophobicContact CD2-CD2 4.24Å; C272-L312 HydrophobicContact CB-CD2 4.4Å; I280-L312 HydrophobicContact CG2-CD1 4.44Å; L294-L312 HydrophobicContact CD1-CD1 4.34Å; S304-L312 CarbonylContact O-C 3.58Å; S304-L312 WeakPolarHBondContact O-CA 3.45Å; Y305-L312 HydrophobicContact CD2-CD2 3.79Å; Y305-L312 HydrophobicContact CD2-CG 3.99Å; Y305-L312 HydrophobicContact CG-CD2 4.18Å; L312-L323 CarbonylContact O-C 3.56Å; L312-L323 WeakPolarHBondContact O-CA 3.48Å; L312-W324 HydrophobicContact CB-CB 4.17Å; L312-W324 PolarHBondContact N-O 2.7Å; L312-W324 PolarHBondContact O-N 3.31Å; L312-P326 HydrophobicContact CD1-CB 3.88Å; L312-P326 HydrophobicContact CD1-CG 4.3Å
313A93.9Very high91.3Very high0 Ų033.8 Ų33.80%016%0.156CC..EExtended strand (participates in β ladder)trans-104132.5165.400000108.5I303 S304 I321 R322 L323 V348 W350 L358I303-A313 CarbonylContact C-O 3.56Å; I303-A313 VanDerWaalsContact CA-O 3.31Å; I303-A313 WeakPolarHBondContact CA-O 3.13Å; S304-A313 PolarHBondContact N-O 2.93Å; S304-A313 PolarHBondContact O-N 3.36Å; A313-I321 HydrophobicContact CB-CG2 4.28Å; A313-R322 WeakPolarHBondContact CA-O 3.26Å; A313-L323 HydrophobicContact CB-CD2 3.71Å; A313-V348 HydrophobicContact CB-CG1 4.49Å; A313-V348 HydrophobicContact CB-CG2 3.87Å; A313-W350 HydrophobicContact CB-CZ2 4.06Å; A313-W350 VanDerWaalsContact CB-NE1 3.32Å; A313-L358 HydrophobicContact CB-CD2 4.26Å
314S93.9Very high91Very high0 Ų033.6 Ų33.60%016%0.155CC..EExtended strand (participates in β ladder)trans-116.9133.1176.3730000111.3F300 R322 W324F300-S314 WeakPolarHBondContact CE1-OG 3.42Å; S314-R322 PolarHBondContact N-O 2.88Å; S314-R322 PolarHBondContact O-N 3.36Å; S314-R322 VanDerWaalsContact O-N 3.16Å; S314-R322 PolarHBondContact OG-O 3.01Å; S314-W324 PolarHBondContact OG-NE1 2.77Å
315A93.8Very high90.6Very high0 Ų035.5 Ų35.50%016%0.164CC..EExtended strand (participates in β ladder)trans-91.5137.3164.300000109.8F300 N301 C302 I345 V348F300-A315 WeakPolarHBondContact CA-O 3.47Å; N301-A315 PolarHBondContact N-O 3.39Å; C302-A315 HydrophobicContact CB-CB 4.02Å; C302-A315 PolarHBondContact O-N 3.38Å; A315-I345 HydrophobicContact CB-CB 3.83Å; A315-I345 HydrophobicContact CB-CG2 3.41Å; A315-I345 VanDerWaalsContact CB-CG2 3.41Å; A315-V348 HydrophobicContact CB-CB 4.38Å; A315-V348 HydrophobicContact CB-CG1 4.11Å
316S92.6Very high90Very high1 Ų133.9 Ų33.91%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-129172.4-177.6-56.20000111.2V299 F300 N301 D318 I345V299-S316 CarbonylContact O-C 3.28Å; V299-S316 WeakPolarHBondContact O-CA 3.12Å; V299-S316 VanDerWaalsContact O-CB 3.31Å; V299-S316 WeakPolarHBondContact O-CB 3.47Å; F300-S316 VanDerWaalsContact CD1-OG 3.26Å; F300-S316 WeakPolarHBondContact CD1-OG 3.14Å; F300-S316 WeakPolarHBondContact CE1-OG 3.5Å; N301-S316 PolarHBondContact ND2-O 2.82Å; S316-D318 WeakPolarHBondContact CB-OD1 3.48Å; S316-D318 PolarHBondContact O-N 2.59Å; S316-D318 VanDerWaalsContact O-O 3.07Å; S316-I345 PolarHBondContact O-N 3.25Å
317T92.4Very high89.4Confident30 Ų3041.1 Ų41.118%0.18419%0.187CC..SBendtrans-73.631.5169.864.90000112.7V299 W344V299-T317 HydrophobicContact CB-CG2 3.63Å; V299-T317 HydrophobicContact CG1-CG2 3.68Å; V299-T317 PolarHBondContact O-N 3.09Å; T317-W344 HydrophobicContact CG2-CD2 4.47Å; T317-W344 HydrophobicContact CG2-CE3 4.35Å; T317-W344 PolarHBondContact O-NE1 2.96Å
318D91.4Very high88.9Confident15 Ų1539 Ų398%0.0817%0.172CC..SBendtrans-132.1-175.1166.266.410.8000109.9K298 S316 H320 R322 I345K298-D318 HydrophobicContact CD-CB 3.48Å; K298-D318 VanDerWaalsContact CD-CB 3.48Å; K298-D318 VanDerWaalsContact CD-OD2 3.27Å; K298-D318 WeakPolarHBondContact CD-OD2 3.4Å; S316-D318 WeakPolarHBondContact CB-OD1 3.48Å; S316-D318 PolarHBondContact O-N 2.59Å; S316-D318 VanDerWaalsContact O-O 3.07Å; D318-H320 VanDerWaalsContact C-N 3.29Å; D318-H320 PolarHBondContact OD1-N 3.23Å; D318-H320 IonicContact OD2-CD2 2.82Å; D318-R322 VanDerWaalsContact CG-NH1 3.34Å; D318-R322 IonicContact OD1-NH1 2.72Å; D318-R322 PolarHBondContact OD1-NH1 2.86Å; D318-R322 IonicContact OD2-CZ 3.73Å; D318-R322 VanDerWaalsContact OD2-CZ 3.27Å; D318-R322 IonicContact OD2-NH1 3.18Å; D318-R322 PolarHBondContact OD2-NH1 2.88Å; D318-R322 IonicContact OD2-NH2 3.85Å; D318-R322 PolarHBondContact OD2-NH2 3.21Å; D318-I345 PolarHBondContact O-N 2.95Å
319R90.4Very high88Confident129 Ų12943.9 Ų43.949%0.48719%0.19SC..SBendtrans-85.83.9-178.664.4176.2-176.9179.22.4114.7H341 G343 I345R319-H341 HydrophobicContact CB-CB 4.31Å; R319-H341 WeakPolarHBondContact CB-O 3.36Å; R319-H341 WeakPolarHBondContact CD-O 3.44Å; R319-G343 WeakPolarHBondContact CA-O 3.42Å; R319-I345 VanDerWaalsContact C-CD1 3.49Å
320H91.4Very high87Confident41 Ų4148.5 Ų48.519%0.1921%0.213CC..EExtended strand (participates in β ladder)trans-110.8120.2-169.2-59.7-79.2000110.4D318 R322 L338 T339D318-H320 VanDerWaalsContact C-N 3.29Å; D318-H320 PolarHBondContact OD1-N 3.23Å; D318-H320 IonicContact OD2-CD2 2.82Å; H320-R322 PolarHBondContact O-NH1 3.31Å; H320-L338 WeakPolarHBondContact CA-O 3.4Å; H320-T339 WeakPolarHBondContact CE1-CG2 3.23Å; H320-T339 PolarHBondContact CE1-OG1 2.8Å; H320-T339 VanDerWaalsContact ND1-CG2 3.26Å; H320-T339 WeakPolarHBondContact ND1-CG2 3.48Å; H320-T339 PolarHBondContact ND1-OG1 2.78Å
321I93.2Very high85.7Confident0 Ų043 Ų430%020%0.195CC..EExtended strand (participates in β ladder)trans-81.6131.8166.6-51.1162.1000106.5A313 S337 L338 I345 V348 L358 S360 W370A313-I321 HydrophobicContact CB-CG2 4.28Å; I321-S337 CarbonylContact O-C 3.59Å; I321-S337 VanDerWaalsContact O-CA 3.27Å; I321-S337 WeakPolarHBondContact O-CA 3.43Å; I321-L338 HydrophobicContact CB-CB 4.08Å; I321-L338 HydrophobicContact CB-CD1 4.29Å; I321-L338 HydrophobicContact CB-CG 4.49Å; I321-L338 HydrophobicContact CD1-CB 4.33Å; I321-L338 HydrophobicContact CD1-CD1 4.24Å; I321-L338 HydrophobicContact CG2-CD1 4.41Å; I321-L338 PolarHBondContact N-O 3.15Å; I321-L338 PolarHBondContact O-N 3.45Å; I321-I345 HydrophobicContact CB-CD1 4.37Å; I321-I345 HydrophobicContact CG1-CD1 3.47Å; I321-I345 VanDerWaalsContact CG1-CD1 3.47Å; I321-I345 HydrophobicContact CG1-CG1 4.32Å; I321-I345 HydrophobicContact CG1-CG2 4.43Å; I321-V348 HydrophobicContact CG2-CG2 4.34Å; I321-L358 HydrophobicContact CD1-CD1 4.15Å; I321-S360 VanDerWaalsContact CD1-CB 3.48Å; I321-S360 WeakPolarHBondContact CD1-OG 3.42Å; I321-W370 HydrophobicContact CD1-CD2 4.39Å; I321-W370 HydrophobicContact CD1-CG 4.47Å; I321-W370 HydrophobicContact CD1-CZ2 4Å; I321-W370 VanDerWaalsContact CD1-NE1 3.34Å
322R92.8Very high84.3Confident33 Ų3344 Ų4413%0.12521%0.211CC..EExtended strand (participates in β ladder)trans-113.1136.5179.7-66.4174.2176.776.63.2110.1A313 S314 D318 H320 W324 V334A313-R322 WeakPolarHBondContact CA-O 3.26Å; S314-R322 PolarHBondContact N-O 2.88Å; S314-R322 PolarHBondContact O-N 3.36Å; S314-R322 VanDerWaalsContact O-N 3.16Å; S314-R322 PolarHBondContact OG-O 3.01Å; D318-R322 VanDerWaalsContact CG-NH1 3.34Å; D318-R322 IonicContact OD1-NH1 2.72Å; D318-R322 PolarHBondContact OD1-NH1 2.86Å; D318-R322 IonicContact OD2-CZ 3.73Å; D318-R322 VanDerWaalsContact OD2-CZ 3.27Å; D318-R322 IonicContact OD2-NH1 3.18Å; D318-R322 PolarHBondContact OD2-NH1 2.88Å; D318-R322 IonicContact OD2-NH2 3.85Å; D318-R322 PolarHBondContact OD2-NH2 3.21Å; H320-R322 PolarHBondContact O-NH1 3.31Å; R322-W324 HydrophobicContact CB-CZ2 4Å; R322-W324 PolarHBondContact O-NE1 3.43Å; R322-V334 HydrophobicContact CB-CG1 3.83Å; R322-V334 HydrophobicContact CB-CG2 4.37Å; R322-V334 HydrophobicContact CG-CG1 3.86Å; R322-V334 HydrophobicContact CG-CG2 4.27Å
323L92.1Very high83Confident0 Ų048.9 Ų48.90%024%0.236CC..EExtended strand (participates in β ladder)trans-98.5133.6172.3-61.2-172.8000110.4L312 A313 L335 L336 W350 L358 T372L312-L323 CarbonylContact O-C 3.56Å; L312-L323 WeakPolarHBondContact O-CA 3.48Å; A313-L323 HydrophobicContact CB-CD2 3.71Å; L323-L335 PolarHBondContact O-N 2.57Å; L323-L336 HydrophobicContact CB-CB 4.33Å; L323-L336 HydrophobicContact CD1-CB 4.12Å; L323-L336 HydrophobicContact CD1-CD1 4.18Å; L323-L336 HydrophobicContact CG-CB 4.4Å; L323-L336 PolarHBondContact N-O 3.19Å; L323-W350 HydrophobicContact CD1-CH2 4.34Å; L323-W350 HydrophobicContact CD2-CH2 4.04Å; L323-W350 HydrophobicContact CD2-CZ2 3.57Å; L323-L358 HydrophobicContact CD2-CD2 4.14Å; L323-T372 HydrophobicContact CD1-CG2 3.52Å
324W90.1Very high82.1Confident3 Ų351.3 Ų51.31%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-126.3146-177.8-47.481.5000110.1L294 F300 L312 S314 R322 V334L294-W324 HydrophobicContact CB-CE3 4.09Å; L294-W324 HydrophobicContact CB-CZ3 4.31Å; L294-W324 HydrophobicContact CD1-CB 3.91Å; L294-W324 HydrophobicContact CD1-CD2 4.44Å; L294-W324 HydrophobicContact CD1-CE3 4.34Å; L294-W324 HydrophobicContact CD1-CG 4.29Å; F300-W324 AromaticContact CE1-CZ2 3.95Å; F300-W324 HydrophobicContact CE1-CZ2 3.95Å; F300-W324 HydrophobicContact CZ-CH2 4.26Å; F300-W324 AromaticContact CZ-CZ2 3.68Å; F300-W324 HydrophobicContact CZ-CZ2 3.68Å; L312-W324 HydrophobicContact CB-CB 4.17Å; L312-W324 PolarHBondContact N-O 2.7Å; L312-W324 PolarHBondContact O-N 3.31Å; S314-W324 PolarHBondContact OG-NE1 2.77Å; R322-W324 HydrophobicContact CB-CZ2 4Å; R322-W324 PolarHBondContact O-NE1 3.43Å; W324-V334 HydrophobicContact CE3-CG2 4.41Å; W324-V334 HydrophobicContact CH2-CG2 3.64Å; W324-V334 HydrophobicContact CZ2-CG2 3.97Å; W324-V334 HydrophobicContact CZ3-CG2 3.88Å
325D86.8Confident81.4Confident49 Ų4955.1 Ų55.126%0.26227%0.271SS..  trans-99.5113.1163.8-179-11.1000108.6R327 T328 L335D325-R327 PolarHBondContact O-N 2.84Å; D325-R327 VanDerWaalsContact O-N 3.12Å; D325-R327 VanDerWaalsContact OD1-CB 3.29Å; D325-R327 WeakPolarHBondContact OD1-CB 3.42Å; D325-R327 PolarHBondContact OD1-N 2.98Å; D325-T328 PolarHBondContact O-N 3.02Å; D325-L335 HydrophobicContact CB-CD1 4.01Å
326P79.8Confident80.9Confident10 Ų1058 Ų587%0.06529%0.286CS..THydrogen-bonded Turntrans-62.3-18.3-17924.8-32.5000113.8Y305 R310 L312Y305-P326 HydrophobicContact CE2-CG 4.37Å; R310-P326 WeakPolarHBondContact O-CD 3.39Å; L312-P326 HydrophobicContact CD1-CB 3.88Å; L312-P326 HydrophobicContact CD1-CG 4.3Å
327R78.4Confident80.7Confident153 Ų15360.7 Ų60.758%0.57730%0.304SS*.THydrogen-bonded Turntrans-84.7-17.4-178.2-59.5172.4174.6-162.7-9.9112.9D325 K329D325-R327 PolarHBondContact O-N 2.84Å; D325-R327 VanDerWaalsContact O-N 3.12Å; D325-R327 VanDerWaalsContact OD1-CB 3.29Å; D325-R327 WeakPolarHBondContact OD1-CB 3.42Å; D325-R327 PolarHBondContact OD1-N 2.98Å; R327-K329 PolarHBondContact O-N 2.82Å
328T75.6Confident80.5Confident43 Ų4359.2 Ų59.226%0.26430%0.296SS..  trans-74.9112.9-177.8-580000109.3D325 D330 L333D325-T328 PolarHBondContact O-N 3.02Å; T328-D330 HydrophobicContact CG2-CB 4.21Å; T328-D330 PolarHBondContact O-N 3.28Å; T328-L333 HydrophobicContact CG2-CD1 4.5Å
329K66.3Low80.4Confident188 Ų18860.9 Ų60.982%0.81731%0.306SS*.THydrogen-bonded Turntrans-70.6-18.1-178.1-67-173.1178.5-176.50113.7R327 G331R327-K329 PolarHBondContact O-N 2.82Å; K329-G331 PolarHBondContact O-N 2.92Å
330D63.6Low80.3Confident117 Ų11756.6 Ų56.663%0.62630%0.296SS*.THydrogen-bonded Turntrans-73.9-6-177-66.7-27.6000113.5T328 T332 L333T328-D330 HydrophobicContact CG2-CB 4.21Å; T328-D330 PolarHBondContact O-N 3.28Å; D330-T332 PolarHBondContact O-N 2.76Å; D330-T332 PolarHBondContact O-OG1 3.38Å; D330-L333 HydrophobicContact CB-CD1 4.28Å
331G58.7Low80.3Confident9 Ų954.8 Ų54.89%0.09329%0.288CS..SBendtrans61.5-5.1158.700000117.9L294 S295 K329L294-G331 CarbonylContact C-O 3.52Å; L294-G331 WeakPolarHBondContact CA-O 3.13Å; S295-G331 PolarHBondContact N-O 3.09Å; K329-G331 PolarHBondContact O-N 2.92Å
332T61.3Low80.3Confident102 Ų10260.4 Ų60.463%0.62632%0.323SS*.  trans-125.9-13.2-169.352.40000112.8D330 V334D330-T332 PolarHBondContact O-N 2.76Å; D330-T332 PolarHBondContact O-OG1 3.38Å; T332-V334 PolarHBondContact O-N 2.73Å
333L64.6Low80.2Confident103 Ų10359.6 Ų59.654%0.53932%0.324SS..  trans-82.2101.1-178.1-80.4155.7000110.3T328 D330 L335T328-L333 HydrophobicContact CG2-CD1 4.5Å; D330-L333 HydrophobicContact CB-CD1 4.28Å; L333-L335 PolarHBondContact O-N 3.05Å
334V74.9Confident80.3Confident52 Ų5266.3 Ų66.332%0.31535%0.35SS..  trans-72.1117.6159.4176.50000107R322 W324 T332 L336R322-V334 HydrophobicContact CB-CG1 3.83Å; R322-V334 HydrophobicContact CB-CG2 4.37Å; R322-V334 HydrophobicContact CG-CG1 3.86Å; R322-V334 HydrophobicContact CG-CG2 4.27Å; W324-V334 HydrophobicContact CE3-CG2 4.41Å; W324-V334 HydrophobicContact CH2-CG2 3.64Å; W324-V334 HydrophobicContact CZ2-CG2 3.97Å; W324-V334 HydrophobicContact CZ3-CG2 3.88Å; T332-V334 PolarHBondContact O-N 2.73Å; V334-L336 WeakPolarHBondContact CG1-O 3.36Å
335L79.4Confident80.6Confident80 Ų8066.1 Ų66.142%0.41935%0.349SS..  trans-65.9-50.8179.8-71.6175000110.7L323 D325 L333L323-L335 PolarHBondContact O-N 2.57Å; D325-L335 HydrophobicContact CB-CD1 4.01Å; L333-L335 PolarHBondContact O-N 3.05Å
336L83.9Confident81Confident59 Ų5965.1 Ų65.131%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-146.8146.1-174-65.8168.2000108.9L323 V334L323-L336 HydrophobicContact CB-CB 4.33Å; L323-L336 HydrophobicContact CD1-CB 4.12Å; L323-L336 HydrophobicContact CD1-CD1 4.18Å; L323-L336 HydrophobicContact CG-CB 4.4Å; L323-L336 PolarHBondContact N-O 3.19Å; V334-L336 WeakPolarHBondContact CG1-O 3.36Å
337S88Confident81.7Confident58 Ų5865 Ų6541%0.40634%0.344SS..EExtended strand (participates in β ladder)trans-123.2121.1174.263.30000110.6I321I321-S337 CarbonylContact O-C 3.59Å; I321-S337 VanDerWaalsContact O-CA 3.27Å; I321-S337 WeakPolarHBondContact O-CA 3.43Å
338L88.9Confident82.5Confident0 Ų057.9 Ų57.90%032%0.318CS..EExtended strand (participates in β ladder)trans-90.4119.7176.1-52173.2000108.8H320 I321 L358 W370 C375H320-L338 WeakPolarHBondContact CA-O 3.4Å; I321-L338 HydrophobicContact CB-CB 4.08Å; I321-L338 HydrophobicContact CB-CD1 4.29Å; I321-L338 HydrophobicContact CB-CG 4.49Å; I321-L338 HydrophobicContact CD1-CB 4.33Å; I321-L338 HydrophobicContact CD1-CD1 4.24Å; I321-L338 HydrophobicContact CG2-CD1 4.41Å; I321-L338 PolarHBondContact N-O 3.15Å; I321-L338 PolarHBondContact O-N 3.45Å; L338-L358 HydrophobicContact CD1-CD1 4.05Å; L338-L358 HydrophobicContact CD1-CD2 4.05Å; L338-L358 HydrophobicContact CD1-CG 4.42Å; L338-W370 HydrophobicContact CB-CD2 4.11Å; L338-W370 HydrophobicContact CB-CE3 3.78Å; L338-W370 HydrophobicContact CB-CH2 3.87Å; L338-W370 HydrophobicContact CB-CZ2 4.28Å; L338-W370 HydrophobicContact CB-CZ3 3.66Å; L338-W370 HydrophobicContact CD1-CB 3.91Å; L338-W370 HydrophobicContact CD1-CD2 3.89Å; L338-W370 HydrophobicContact CD1-CE3 4.03Å; L338-W370 HydrophobicContact CD1-CG 3.86Å; L338-W370 HydrophobicContact CD2-CE3 4.11Å; L338-W370 HydrophobicContact CD2-CZ3 4.46Å; L338-W370 HydrophobicContact CG-CD2 4.48Å; L338-W370 HydrophobicContact CG-CE3 4.19Å; L338-C375 HydrophobicContact CD2-CB 3.99Å
339T87.4Confident83.5Confident49 Ų4959.4 Ų59.430%0.30132%0.321SS..EExtended strand (participates in β ladder)trans-127.297.6-169.2-50.20000110.7H320H320-T339 WeakPolarHBondContact CE1-CG2 3.23Å; H320-T339 PolarHBondContact CE1-OG1 2.8Å; H320-T339 VanDerWaalsContact ND1-CG2 3.26Å; H320-T339 WeakPolarHBondContact ND1-CG2 3.48Å; H320-T339 PolarHBondContact ND1-OG1 2.78Å
340S89.1Confident84.8Confident40 Ų4050.7 Ų50.728%0.2828%0.283SS..  trans-149.6-28.6174.9-175.60000113K368 P378S340-K368 WeakPolarHBondContact OG-CE 3.19Å; S340-K368 PolarHBondContact OG-NZ 3.45Å; S340-P378 WeakPolarHBondContact OG-CD 3.23Å
341H91.8Very high86.1Confident2 Ų245.1 Ų45.11%0.00925%0.253CS..  trans-60157.9175.1-76.2-68.6000112R319 I345 S360 S362 D364 K368R319-H341 HydrophobicContact CB-CB 4.31Å; R319-H341 WeakPolarHBondContact CB-O 3.36Å; R319-H341 WeakPolarHBondContact CD-O 3.44Å; H341-I345 HydrophobicContact CB-CG1 4.38Å; H341-S360 PolarHBondContact NE2-OG 3.03Å; H341-S362 VanDerWaalsContact CE1-CB 3.45Å; H341-S362 WeakPolarHBondContact CE1-CB 3.19Å; H341-S362 WeakPolarHBondContact ND1-CB 3.29Å; H341-S362 PolarHBondContact ND1-OG 3.23Å; H341-D364 WeakPolarHBondContact CA-OD2 3.21Å; H341-D364 IonicContact CE1-OD1 3.31Å; H341-D364 IonicContact CG-OD2 3.27Å; H341-D364 IonicContact ND1-OD1 2.91Å; H341-D364 PolarHBondContact ND1-OD1 3Å; H341-D364 IonicContact ND1-OD2 2.68Å; H341-D364 PolarHBondContact ND1-OD2 2.95Å; H341-D364 VanDerWaalsContact ND1-OD2 3.1Å; H341-K368 VanDerWaalsContact CE1-CD 3.44Å; H341-K368 WeakPolarHBondContact CE1-CD 3.29Å
342T92.4Very high87.4Confident119 Ų11946.7 Ų46.773%0.7326%0.262SS*.SBendtrans-111.6-21.9174.961.80000112.1D364T342-D364 PolarHBondContact N-OD2 2.75Å; T342-D364 WeakPolarHBondContact OG1-CB 3.23Å; T342-D364 PolarHBondContact OG1-OD2 2.77Å
343G92.1Very high88.5Confident16 Ų1644.7 Ų44.717%0.16525%0.252CS..SBendtrans-102.6-172.6177.200000113.9R319R319-G343 WeakPolarHBondContact CA-O 3.42Å
344W94.1Very high89.3Confident140 Ų14042.1 Ų42.153%0.5324%0.237SC..  trans-74.5139170.5-57.6-11.5000109.8T317 S362 L363T317-W344 HydrophobicContact CG2-CD2 4.47Å; T317-W344 HydrophobicContact CG2-CE3 4.35Å; T317-W344 PolarHBondContact O-NE1 2.96Å; W344-S362 CarbonylContact O-C 3.58Å; W344-S362 VanDerWaalsContact O-CA 3.3Å; W344-S362 WeakPolarHBondContact O-CA 3.17Å; W344-S362 WeakPolarHBondContact O-CB 3.48Å; W344-S362 PolarHBondContact O-OG 3.26Å; W344-L363 HydrophobicContact CB-CD1 3.77Å; W344-L363 HydrophobicContact CB-CG 4.09Å; W344-L363 HydrophobicContact CD2-CD1 3.99Å; W344-L363 HydrophobicContact CE3-CD1 3.76Å; W344-L363 HydrophobicContact CG-CD1 4.04Å; W344-L363 PolarHBondContact O-N 2.84Å
345I95.3Very high89.8Confident0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-83.5121.5174.9-55.2148000107.3N301 A315 S316 D318 R319 I321 H341 G361N301-I345 WeakPolarHBondContact CB-O 3.33Å; N301-I345 PolarHBondContact ND2-O 2.73Å; A315-I345 HydrophobicContact CB-CB 3.83Å; A315-I345 HydrophobicContact CB-CG2 3.41Å; A315-I345 VanDerWaalsContact CB-CG2 3.41Å; S316-I345 PolarHBondContact O-N 3.25Å; D318-I345 PolarHBondContact O-N 2.95Å; R319-I345 VanDerWaalsContact C-CD1 3.49Å; I321-I345 HydrophobicContact CB-CD1 4.37Å; I321-I345 HydrophobicContact CG1-CD1 3.47Å; I321-I345 VanDerWaalsContact CG1-CD1 3.47Å; I321-I345 HydrophobicContact CG1-CG1 4.32Å; I321-I345 HydrophobicContact CG1-CG2 4.43Å; H341-I345 HydrophobicContact CB-CG1 4.38Å; I345-G361 WeakPolarHBondContact CG2-O 3.49Å
346T95.1Very high90.2Very high27 Ų2741.8 Ų41.817%0.16623%0.23CC..EExtended strand (participates in β ladder)trans-92.7-42.3-176.845.60000111.2C302 G361 L363 V389C302-T346 WeakPolarHBondContact CB-O 3.29Å; T346-G361 PolarHBondContact N-O 2.85Å; T346-G361 PolarHBondContact OG1-O 3.31Å; T346-L363 HydrophobicContact CG2-CD2 3.37Å; T346-L363 HydrophobicContact CG2-CG 3.8Å; T346-V389 WeakPolarHBondContact CB-O 3.31Å; T346-V389 WeakPolarHBondContact CG2-O 3.44Å; T346-V389 PolarHBondContact OG1-O 2.8Å
347A94.4Very high90.5Very high7 Ų739.6 Ų39.66%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-138.2148.9-175.700000111.7S360 G361 F390 V392A347-S360 WeakPolarHBondContact O-CA 3.4Å; A347-G361 PolarHBondContact N-O 2.92Å; A347-G361 PolarHBondContact O-N 2.07Å; A347-F390 WeakPolarHBondContact CB-O 3Å; A347-V392 HydrophobicContact CB-CG2 3.81Å
348V95.9Very high90.7Very high5 Ų536.9 Ų36.93%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-142.5140.5175.662.40000108.6C302 S304 A313 A315 I321 L358 I359C302-V348 HydrophobicContact CB-CG1 4.43Å; S304-V348 WeakPolarHBondContact CB-O 3.34Å; A313-V348 HydrophobicContact CB-CG1 4.49Å; A313-V348 HydrophobicContact CB-CG2 3.87Å; A315-V348 HydrophobicContact CB-CB 4.38Å; A315-V348 HydrophobicContact CB-CG1 4.11Å; I321-V348 HydrophobicContact CG2-CG2 4.34Å; V348-L358 HydrophobicContact CG2-CD1 4.12Å; V348-I359 WeakPolarHBondContact CA-O 3.47Å
349K95.6Very high91Very high74 Ų7436.9 Ų36.932%0.32220%0.199SC..EExtended strand (participates in β ladder)trans-143.5127.8177.2-177.268.7174.6-168.60110.2S304 L358 I359 V392 D393 W394S304-K349 WeakPolarHBondContact OG-CA 3.37Å; K349-L358 CarbonylContact O-C 3.45Å; K349-L358 WeakPolarHBondContact O-CA 3.4Å; K349-L358 WeakPolarHBondContact O-CB 3.16Å; K349-I359 HydrophobicContact CB-CD1 4.31Å; K349-I359 HydrophobicContact CB-CG1 3.9Å; K349-I359 PolarHBondContact N-O 3.27Å; K349-I359 PolarHBondContact O-N 3.5Å; K349-V392 HydrophobicContact CB-CG2 4.27Å; K349-D393 VanDerWaalsContact CE-OD1 3.24Å; K349-D393 WeakPolarHBondContact CE-OD1 3.33Å; K349-D393 IonicContact NZ-OD1 2.9Å; K349-W394 HydrophobicContact CG-CB 3.98Å
350W94.3Very high91.4Very high6 Ų634.6 Ų34.62%0.02319%0.185CC..EExtended strand (participates in β ladder)trans-71.9145.8171-76.5100000111.7S304 R311 A313 L323 E355 Q357 L358 T372S304-W350 VanDerWaalsContact C-CD1 3.47Å; S304-W350 VanDerWaalsContact O-CD1 3.32Å; S304-W350 PolarHBondContact O-NE1 3.47Å; S304-W350 PolarHBondContact OG-N 3.39Å; S304-W350 VanDerWaalsContact OG-N 3.1Å; R311-W350 HydrophobicContact CB-CZ2 4.11Å; A313-W350 HydrophobicContact CB-CZ2 4.06Å; A313-W350 VanDerWaalsContact CB-NE1 3.32Å; L323-W350 HydrophobicContact CD1-CH2 4.34Å; L323-W350 HydrophobicContact CD2-CH2 4.04Å; L323-W350 HydrophobicContact CD2-CZ2 3.57Å; W350-E355 WeakPolarHBondContact CZ3-O 3.46Å; W350-Q357 VanDerWaalsContact CE3-O 3.26Å; W350-L358 HydrophobicContact CD2-CB 4.05Å; W350-L358 HydrophobicContact CD2-CD2 4.19Å; W350-L358 HydrophobicContact CE3-CB 3.93Å; W350-L358 HydrophobicContact CE3-CD2 4.09Å; W350-L358 HydrophobicContact CG-CB 4.45Å; W350-L358 HydrophobicContact CH2-CD2 3.84Å; W350-L358 HydrophobicContact CZ2-CD2 3.92Å; W350-L358 HydrophobicContact CZ3-CB 4.46Å; W350-L358 HydrophobicContact CZ3-CD2 3.9Å; W350-T372 HydrophobicContact CH2-CG2 3.56Å; W350-T372 HydrophobicContact CZ3-CG2 3.78Å
351A91.3Very high91.7Very high0 Ų032.7 Ų32.70%017%0.171CC..  trans-63.9128.9166.600000109H354 Q357 W394A351-H354 HydrophobicContact CB-CB 3.98Å; A351-H354 VanDerWaalsContact O-O 3.13Å; A351-Q357 HydrophobicContact CB-CB 3.86Å; A351-Q357 VanDerWaalsContact CB-O 3.3Å; A351-Q357 WeakPolarHBondContact CB-O 3.4Å; A351-Q357 PolarHBondContact N-O 2.85Å; A351-W394 HydrophobicContact CB-CD2 3.89Å; A351-W394 HydrophobicContact CB-CE3 3.77Å; A351-W394 HydrophobicContact CB-CH2 3.64Å; A351-W394 HydrophobicContact CB-CZ2 3.69Å; A351-W394 HydrophobicContact CB-CZ3 3.66Å
352P86.1Confident91.9Very high42 Ų4232.6 Ų32.627%0.27317%0.171SC..SBendtrans-79.7-24179.632.9-36000112.3L308 D396L308-P352 WeakPolarHBondContact CD1-O 3.09Å; P352-D396 WeakPolarHBondContact CB-OD1 3.34Å; P352-D396 WeakPolarHBondContact CG-OD1 3.38Å
353S83.2Confident92Very high60 Ų6029.3 Ų29.342%0.4215%0.149SC..SBendtrans-87.4-25.6176.159.10000114.5
354H82.9Confident92.1Very high48 Ų4829.8 Ų29.822%0.22215%0.147CC..  trans-116.8132.9-174.3-62.3-66000112.2A351 H356 Q357 A416A351-H354 HydrophobicContact CB-CB 3.98Å; A351-H354 VanDerWaalsContact O-O 3.13Å; H354-H356 VanDerWaalsContact C-N 3.31Å; H354-H356 PolarHBondContact O-N 2.74Å; H354-Q357 HydrophobicContact CB-CB 3.99Å; H354-Q357 HydrophobicContact CB-CG 4.02Å; H354-Q357 PolarHBondContact CD2-OE1 3.28Å; H354-A416 WeakPolarHBondContact CE1-CB 3.39Å; H354-A416 WeakPolarHBondContact NE2-CB 3.44Å
355E85.1Confident92Very high85 Ų8525.3 Ų25.340%0.39713%0.134SC..SBendtrans-65.9-34-178.5-175.7175.8163.200113.2L308 C309 W350L308-E355 HydrophobicContact CB-CB 4.14Å; L308-E355 HydrophobicContact CB-CG 4.13Å; L308-E355 HydrophobicContact CD1-CB 4.5Å; C309-E355 HydrophobicContact CB-CG 3.5Å; C309-E355 WeakPolarHBondContact CB-OE1 3.29Å; C309-E355 PolarHBondContact SG-O 3.23Å; W350-E355 WeakPolarHBondContact CZ3-O 3.46Å
356H86.8Confident92Very high41 Ų4127.2 Ų27.219%0.1914%0.144CC..SBendtrans-107.8-1.5-167.6-56.1-62.7000114.7H354 D371 T372 R373H354-H356 VanDerWaalsContact C-N 3.31Å; H354-H356 PolarHBondContact O-N 2.74Å; H356-D371 WeakPolarHBondContact CB-OD1 3.34Å; H356-D371 CarbonylContact O-C 3.5Å; H356-D371 WeakPolarHBondContact O-CA 3.45Å; H356-T372 WeakPolarHBondContact CA-OG1 3.47Å; H356-T372 WeakPolarHBondContact CB-OG1 3.39Å; H356-T372 PolarHBondContact ND1-OG1 2.95Å; H356-T372 WeakPolarHBondContact O-CG2 3.38Å; H356-T372 PolarHBondContact O-N 3.02Å; H356-T372 PolarHBondContact O-OG1 2.82Å; H356-R373 HydrophobicContact CB-CG 4.3Å; H356-R373 PolarHBondContact CD2-NE 2.89Å; H356-R373 PolarHBondContact CD2-NH2 3.26Å; H356-R373 PolarHBondContact NE2-NE 3Å; H356-R373 PolarHBondContact NE2-NH2 3.05Å
357Q90.6Very high91.9Very high13 Ų1326.1 Ų26.16%0.06114%0.137CC..EExtended strand (participates in β ladder)trans-106.6143-172.6-63.3179-0.600112.3W350 A351 H354 W370 W394 Y414W350-Q357 VanDerWaalsContact CE3-O 3.26Å; A351-Q357 HydrophobicContact CB-CB 3.86Å; A351-Q357 VanDerWaalsContact CB-O 3.3Å; A351-Q357 WeakPolarHBondContact CB-O 3.4Å; A351-Q357 PolarHBondContact N-O 2.85Å; H354-Q357 HydrophobicContact CB-CB 3.99Å; H354-Q357 HydrophobicContact CB-CG 4.02Å; H354-Q357 PolarHBondContact CD2-OE1 3.28Å; Q357-W370 VanDerWaalsContact CA-O 3.28Å; Q357-W370 WeakPolarHBondContact CA-O 3.26Å; Q357-W394 HydrophobicContact CB-CH2 3.89Å; Q357-W394 HydrophobicContact CB-CZ3 4.18Å; Q357-Y414 PolarHBondContact NE2-OH 2.92Å; Q357-Y414 VanDerWaalsContact OE1-CE1 3.31Å; Q357-Y414 PolarHBondContact OE1-OH 2.81Å
358L93.5Very high91.9Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-149.9154.1175.462.589.6000110.5A313 I321 L323 L338 V348 K349 W350 W370 T372A313-L358 HydrophobicContact CB-CD2 4.26Å; I321-L358 HydrophobicContact CD1-CD1 4.15Å; L323-L358 HydrophobicContact CD2-CD2 4.14Å; L338-L358 HydrophobicContact CD1-CD1 4.05Å; L338-L358 HydrophobicContact CD1-CD2 4.05Å; L338-L358 HydrophobicContact CD1-CG 4.42Å; V348-L358 HydrophobicContact CG2-CD1 4.12Å; K349-L358 CarbonylContact O-C 3.45Å; K349-L358 WeakPolarHBondContact O-CA 3.4Å; K349-L358 WeakPolarHBondContact O-CB 3.16Å; W350-L358 HydrophobicContact CD2-CB 4.05Å; W350-L358 HydrophobicContact CD2-CD2 4.19Å; W350-L358 HydrophobicContact CE3-CB 3.93Å; W350-L358 HydrophobicContact CE3-CD2 4.09Å; W350-L358 HydrophobicContact CG-CB 4.45Å; W350-L358 HydrophobicContact CH2-CD2 3.84Å; W350-L358 HydrophobicContact CZ2-CD2 3.92Å; W350-L358 HydrophobicContact CZ3-CB 4.46Å; W350-L358 HydrophobicContact CZ3-CD2 3.9Å; L358-W370 HydrophobicContact CD1-CB 3.69Å; L358-W370 VanDerWaalsContact CD1-CD1 3.43Å; L358-W370 HydrophobicContact CD1-CG 3.75Å; L358-W370 HydrophobicContact CG-CB 3.86Å; L358-W370 HydrophobicContact CG-CG 4.46Å; L358-W370 PolarHBondContact N-O 3.38Å; L358-W370 VanDerWaalsContact N-O 3.16Å; L358-W370 PolarHBondContact O-N 2.91Å; L358-T372 HydrophobicContact CD2-CG2 4.18Å
359I94.7Very high91.8Very high1 Ų125.8 Ų25.81%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-108.6150.9169.856.3177.1000111V348 K349 V367 K368 L369 V392 D393 W394 M400V348-I359 WeakPolarHBondContact CA-O 3.47Å; K349-I359 HydrophobicContact CB-CD1 4.31Å; K349-I359 HydrophobicContact CB-CG1 3.9Å; K349-I359 PolarHBondContact N-O 3.27Å; K349-I359 PolarHBondContact O-N 3.5Å; I359-V367 HydrophobicContact CB-CG1 4.49Å; I359-K368 WeakPolarHBondContact CA-O 3.27Å; I359-L369 HydrophobicContact CG2-CD1 3.8Å; I359-V392 HydrophobicContact CD1-CB 3.81Å; I359-V392 HydrophobicContact CD1-CG2 4.06Å; I359-V392 HydrophobicContact CG1-CB 4.25Å; I359-V392 HydrophobicContact CG1-CG2 3.97Å; I359-D393 VanDerWaalsContact CD1-O 3.29Å; I359-D393 WeakPolarHBondContact CD1-O 3.16Å; I359-W394 HydrophobicContact CB-CE3 4.28Å; I359-W394 HydrophobicContact CD1-CB 3.98Å; I359-W394 HydrophobicContact CD1-CE3 4.36Å; I359-W394 HydrophobicContact CG1-CB 4.5Å; I359-W394 HydrophobicContact CG1-CE3 4.05Å; I359-W394 HydrophobicContact CG2-CE3 3.59Å; I359-W394 HydrophobicContact CG2-CZ3 3.67Å; I359-M400 HydrophobicContact CD1-CB 4.46Å; I359-M400 HydrophobicContact CD1-CG 4.48Å; I359-M400 HydrophobicContact CG2-CG 4.45Å; I359-M400 HydrophobicContact CG2-SD 3.46Å; I359-M400 WeakPolarHBondContact CG2-SD 3.37Å
360S95.6Very high91.6Very high0 Ų022.2 Ų22.20%012%0.119CC..EExtended strand (participates in β ladder)trans-136.6138.2172600000111.8I321 H341 A347 V367 K368 W370I321-S360 VanDerWaalsContact CD1-CB 3.48Å; I321-S360 WeakPolarHBondContact CD1-OG 3.42Å; H341-S360 PolarHBondContact NE2-OG 3.03Å; A347-S360 WeakPolarHBondContact O-CA 3.4Å; S360-V367 CarbonylContact O-C 3.51Å; S360-V367 VanDerWaalsContact O-CA 3.26Å; S360-V367 WeakPolarHBondContact O-CA 3.39Å; S360-K368 PolarHBondContact N-O 2.89Å; S360-K368 PolarHBondContact O-N 3.04Å; S360-W370 PolarHBondContact OG-NE1 3.46Å
361G95.5Very high91.4Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-105.1145.3170.500000110.8I345 T346 A347I345-G361 WeakPolarHBondContact CG2-O 3.49Å; T346-G361 PolarHBondContact N-O 2.85Å; T346-G361 PolarHBondContact OG1-O 3.31Å; A347-G361 PolarHBondContact N-O 2.92Å; A347-G361 PolarHBondContact O-N 2.07Å
362S95.8Very high91.1Very high0 Ų022.9 Ų22.90%012%0.123CC..EExtended strand (participates in β ladder)trans-144.1162.5-174.2155.90000112.4H341 W344 D364 N365 L366 V389H341-S362 VanDerWaalsContact CE1-CB 3.45Å; H341-S362 WeakPolarHBondContact CE1-CB 3.19Å; H341-S362 WeakPolarHBondContact ND1-CB 3.29Å; H341-S362 PolarHBondContact ND1-OG 3.23Å; W344-S362 CarbonylContact O-C 3.58Å; W344-S362 VanDerWaalsContact O-CA 3.3Å; W344-S362 WeakPolarHBondContact O-CA 3.17Å; W344-S362 WeakPolarHBondContact O-CB 3.48Å; W344-S362 PolarHBondContact O-OG 3.26Å; S362-D364 WeakPolarHBondContact CB-OD1 3.29Å; S362-D364 PolarHBondContact O-N 2.9Å; S362-D364 PolarHBondContact OG-N 2.8Å; S362-D364 PolarHBondContact OG-OD1 2.73Å; S362-N365 PolarHBondContact O-N 3.27Å; S362-L366 PolarHBondContact N-O 3.29Å; S362-V389 PolarHBondContact O-N 2.76Å
363L94.7Very high91Very high50 Ų5023.8 Ų23.826%0.26212%0.121SC..THydrogen-bonded Turntrans-70.70174.3-58.7-173.3000113.8W344 T346 N365 K388 F390W344-L363 HydrophobicContact CB-CD1 3.77Å; W344-L363 HydrophobicContact CB-CG 4.09Å; W344-L363 HydrophobicContact CD2-CD1 3.99Å; W344-L363 HydrophobicContact CE3-CD1 3.76Å; W344-L363 HydrophobicContact CG-CD1 4.04Å; W344-L363 PolarHBondContact O-N 2.84Å; T346-L363 HydrophobicContact CG2-CD2 3.37Å; T346-L363 HydrophobicContact CG2-CG 3.8Å; L363-N365 VanDerWaalsContact C-N 3.27Å; L363-K388 HydrophobicContact CB-CG 4.22Å; L363-K388 HydrophobicContact CD2-CB 3.73Å; L363-K388 HydrophobicContact CD2-CD 3.99Å; L363-K388 HydrophobicContact CD2-CG 3.73Å; L363-F390 HydrophobicContact CD2-CE1 4.47Å
364D93.2Very high90.9Very high26 Ų2621.2 Ų21.214%0.13910%0.103CC..THydrogen-bonded Turntrans-90.212.8171.264.3-3.6000113.4H341 T342 S362 L366H341-D364 WeakPolarHBondContact CA-OD2 3.21Å; H341-D364 IonicContact CE1-OD1 3.31Å; H341-D364 IonicContact CG-OD2 3.27Å; H341-D364 IonicContact ND1-OD1 2.91Å; H341-D364 PolarHBondContact ND1-OD1 3Å; H341-D364 IonicContact ND1-OD2 2.68Å; H341-D364 PolarHBondContact ND1-OD2 2.95Å; H341-D364 VanDerWaalsContact ND1-OD2 3.1Å; T342-D364 PolarHBondContact N-OD2 2.75Å; T342-D364 WeakPolarHBondContact OG1-CB 3.23Å; T342-D364 PolarHBondContact OG1-OD2 2.77Å; S362-D364 WeakPolarHBondContact CB-OD1 3.29Å; S362-D364 PolarHBondContact O-N 2.9Å; S362-D364 PolarHBondContact OG-N 2.8Å; S362-D364 PolarHBondContact OG-OD1 2.73Å; D364-L366 PolarHBondContact O-N 2.98Å; D364-L366 VanDerWaalsContact O-N 3.16Å; D364-L366 PolarHBondContact OD1-N 2.87Å
365N93.3Very high90.6Very high47 Ų4720.5 Ų20.525%0.25110%0.103SC..SBendtrans67.67.8177.5-43.3-13.3000113.6S362 L363 H385 E386 D387 K388S362-N365 PolarHBondContact O-N 3.27Å; L363-N365 VanDerWaalsContact C-N 3.27Å; N365-H385 HydrophobicContact CB-CB 4.48Å; N365-E386 PolarHBondContact ND2-O 3.15Å; N365-D387 WeakPolarHBondContact CA-O 3.48Å; N365-D387 WeakPolarHBondContact CB-O 3.19Å; N365-D387 VanDerWaalsContact CG-C 3.4Å; N365-D387 WeakPolarHBondContact OD1-CA 3.1Å; N365-D387 PolarHBondContact OD1-O 2.83Å; N365-K388 PolarHBondContact OD1-N 3.46Å
366L93.8Very high90.2Very high40 Ų4022 Ų2221%0.20911%0.108CC..  trans-103.6138.3180-63176.8000110.6S362 D364 A383S362-L366 PolarHBondContact N-O 3.29Å; D364-L366 PolarHBondContact O-N 2.98Å; D364-L366 VanDerWaalsContact O-N 3.16Å; D364-L366 PolarHBondContact OD1-N 2.87Å; L366-A383 HydrophobicContact CD2-CB 3.48Å; L366-A383 VanDerWaalsContact CD2-CB 3.48Å
367V94.8Very high89.9Confident3 Ų321.6 Ų21.62%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-101.5127.5159.5179.70000107.7I359 S360 L382 V389 V392I359-V367 HydrophobicContact CB-CG1 4.49Å; S360-V367 CarbonylContact O-C 3.51Å; S360-V367 VanDerWaalsContact O-CA 3.26Å; S360-V367 WeakPolarHBondContact O-CA 3.39Å; V367-L382 HydrophobicContact CB-CB 4.12Å; V367-L382 HydrophobicContact CB-CD1 4.42Å; V367-L382 HydrophobicContact CG1-CD1 4.18Å; V367-L382 PolarHBondContact N-O 3.27Å; V367-L382 VanDerWaalsContact N-O 3.08Å; V367-L382 WeakPolarHBondContact O-CA 3.25Å; V367-L382 WeakPolarHBondContact O-CB 3.33Å; V367-L382 PolarHBondContact O-N 3.48Å; V367-V389 HydrophobicContact CG2-CG1 4.05Å; V367-V389 HydrophobicContact CG2-CG2 4.05Å; V367-V392 HydrophobicContact CG1-CG1 4.2Å; V367-V392 HydrophobicContact CG2-CG1 4.1Å
368K94Very high89.7Confident5 Ų521.3 Ų21.32%0.02211%0.111CC..EExtended strand (participates in β ladder)trans-113.6132.4-178-69.1-176.7176.7-86.40110.2S340 H341 I359 S360 W370 P378 D381S340-K368 WeakPolarHBondContact OG-CE 3.19Å; S340-K368 PolarHBondContact OG-NZ 3.45Å; H341-K368 VanDerWaalsContact CE1-CD 3.44Å; H341-K368 WeakPolarHBondContact CE1-CD 3.29Å; I359-K368 WeakPolarHBondContact CA-O 3.27Å; S360-K368 PolarHBondContact N-O 2.89Å; S360-K368 PolarHBondContact O-N 3.04Å; K368-W370 HydrophobicContact CB-CZ2 4.13Å; K368-W370 HydrophobicContact CD-CZ2 3.83Å; K368-W370 VanDerWaalsContact O-CD1 3.26Å; K368-P378 HydrophobicContact CB-CB 4.02Å; K368-P378 HydrophobicContact CD-CB 4.29Å; K368-P378 HydrophobicContact CD-CG 4.02Å; K368-P378 HydrophobicContact CG-CB 4.38Å; K368-P378 HydrophobicContact CG-CG 4.42Å; K368-D381 WeakPolarHBondContact CG-OD1 3.22Å; K368-D381 IonicContact NZ-OD1 3.65Å; K368-D381 PolarHBondContact NZ-OD1 2.89Å; K368-D381 IonicContact NZ-OD2 3.77Å; K368-D381 PolarHBondContact NZ-OD2 3.03Å
369L93.4Very high89.3Confident0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-91129.8168.7-179.965.1000109.3P92 I359 P378 L379 Y380 W394 M400 Y414P92-L369 HydrophobicContact CG-CD2 4.36Å; I359-L369 HydrophobicContact CG2-CD1 3.8Å; L369-P378 CarbonylContact O-C 3.56Å; L369-P378 WeakPolarHBondContact O-CA 3.39Å; L369-P378 VanDerWaalsContact O-CB 3.28Å; L369-P378 WeakPolarHBondContact O-CB 2.9Å; L369-L379 HydrophobicContact CD2-CB 4.33Å; L369-L379 HydrophobicContact CD2-CD1 4.11Å; L369-L379 HydrophobicContact CG-CB 4.32Å; L369-L379 HydrophobicContact CG-CD1 4.26Å; L369-L379 PolarHBondContact O-N 2.92Å; L369-Y380 HydrophobicContact CD2-CD2 3.89Å; L369-Y380 PolarHBondContact N-O 3.01Å; L369-W394 HydrophobicContact CD1-CE3 4.47Å; L369-W394 HydrophobicContact CD1-CH2 3.4Å; L369-W394 VanDerWaalsContact CD1-CH2 3.4Å; L369-W394 HydrophobicContact CD1-CZ3 3.29Å; L369-M400 HydrophobicContact CD1-SD 4.38Å; L369-Y414 HydrophobicContact CD2-CD2 4.4Å; L369-Y414 HydrophobicContact CD2-CE2 3.74Å
370W91.9Very high89Confident0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-119.5151.5-176.3-60.891.4000111.7I321 L338 Q357 L358 S360 K368 P378I321-W370 HydrophobicContact CD1-CD2 4.39Å; I321-W370 HydrophobicContact CD1-CG 4.47Å; I321-W370 HydrophobicContact CD1-CZ2 4Å; I321-W370 VanDerWaalsContact CD1-NE1 3.34Å; L338-W370 HydrophobicContact CB-CD2 4.11Å; L338-W370 HydrophobicContact CB-CE3 3.78Å; L338-W370 HydrophobicContact CB-CH2 3.87Å; L338-W370 HydrophobicContact CB-CZ2 4.28Å; L338-W370 HydrophobicContact CB-CZ3 3.66Å; L338-W370 HydrophobicContact CD1-CB 3.91Å; L338-W370 HydrophobicContact CD1-CD2 3.89Å; L338-W370 HydrophobicContact CD1-CE3 4.03Å; L338-W370 HydrophobicContact CD1-CG 3.86Å; L338-W370 HydrophobicContact CD2-CE3 4.11Å; L338-W370 HydrophobicContact CD2-CZ3 4.46Å; L338-W370 HydrophobicContact CG-CD2 4.48Å; L338-W370 HydrophobicContact CG-CE3 4.19Å; Q357-W370 VanDerWaalsContact CA-O 3.28Å; Q357-W370 WeakPolarHBondContact CA-O 3.26Å; L358-W370 HydrophobicContact CD1-CB 3.69Å; L358-W370 VanDerWaalsContact CD1-CD1 3.43Å; L358-W370 HydrophobicContact CD1-CG 3.75Å; L358-W370 HydrophobicContact CG-CB 3.86Å; L358-W370 HydrophobicContact CG-CG 4.46Å; L358-W370 PolarHBondContact N-O 3.38Å; L358-W370 VanDerWaalsContact N-O 3.16Å; L358-W370 PolarHBondContact O-N 2.91Å; S360-W370 PolarHBondContact OG-NE1 3.46Å; K368-W370 HydrophobicContact CB-CZ2 4.13Å; K368-W370 HydrophobicContact CD-CZ2 3.83Å; K368-W370 VanDerWaalsContact O-CD1 3.26Å; W370-P378 HydrophobicContact CD2-CB 3.97Å; W370-P378 HydrophobicContact CE3-CB 3.84Å; W370-P378 HydrophobicContact CH2-CB 4.27Å; W370-P378 HydrophobicContact CZ2-CB 4.32Å; W370-P378 HydrophobicContact CZ3-CB 3.99Å; W370-P378 HydrophobicContact CZ3-CG 4.46Å
371D89.4Confident88.8Confident8 Ų828.7 Ų28.74%0.04315%0.146CC..EExtended strand (participates in β ladder)trans-123.2124.8164.3-168.8-31.5000108.5F61 H356 R373 S374 L379F61-D371 HydrophobicContact CE2-CB 3.9Å; H356-D371 WeakPolarHBondContact CB-OD1 3.34Å; H356-D371 CarbonylContact O-C 3.5Å; H356-D371 WeakPolarHBondContact O-CA 3.45Å; D371-R373 PolarHBondContact O-N 2.79Å; D371-R373 WeakPolarHBondContact OD1-CB 3.41Å; D371-R373 VanDerWaalsContact OD1-CG 3.31Å; D371-R373 WeakPolarHBondContact OD1-CG 3.23Å; D371-R373 PolarHBondContact OD1-N 2.87Å; D371-S374 CarbonylContact O-C 3.59Å; D371-S374 PolarHBondContact O-N 2.92Å; D371-L379 HydrophobicContact CB-CD1 3.84Å; D371-L379 HydrophobicContact CB-CD2 4.32Å; D371-L379 HydrophobicContact CB-CG 3.99Å
372T85.4Confident88.5Confident11 Ų1129.4 Ų29.47%0.06715%0.15CC..THydrogen-bonded Turntrans-65.6-18.7179.861.10000113.9L323 W350 H356 L358 S374 C375L323-T372 HydrophobicContact CD1-CG2 3.52Å; W350-T372 HydrophobicContact CH2-CG2 3.56Å; W350-T372 HydrophobicContact CZ3-CG2 3.78Å; H356-T372 WeakPolarHBondContact CA-OG1 3.47Å; H356-T372 WeakPolarHBondContact CB-OG1 3.39Å; H356-T372 PolarHBondContact ND1-OG1 2.95Å; H356-T372 WeakPolarHBondContact O-CG2 3.38Å; H356-T372 PolarHBondContact O-N 3.02Å; H356-T372 PolarHBondContact O-OG1 2.82Å; L358-T372 HydrophobicContact CD2-CG2 4.18Å; T372-S374 PolarHBondContact O-N 3.12Å; T372-C375 PolarHBondContact O-SG 3.34Å
373R83.3Confident88.2Confident62 Ų6233 Ų3323%0.23418%0.18CC..THydrogen-bonded Turntrans-67.1-25.6172.5-58.4176.3-178.1-160.5-0.8111.8E11 L56 G59 E84 H356 D371E11-R373 IonicContact OE2-CZ 3.45Å; E11-R373 IonicContact OE2-NH1 3.27Å; E11-R373 PolarHBondContact OE2-NH1 2.93Å; E11-R373 IonicContact OE2-NH2 2.66Å; E11-R373 PolarHBondContact OE2-NH2 2.7Å; L56-R373 HydrophobicContact CD2-CB 3.6Å; G59-R373 CarbonylContact C-O 3.59Å; G59-R373 VanDerWaalsContact C-O 3.28Å; G59-R373 WeakPolarHBondContact CA-O 3.46Å; E84-R373 IonicContact OE1-CZ 3.48Å; E84-R373 IonicContact OE1-NH1 2.86Å; E84-R373 PolarHBondContact OE1-NH1 3.05Å; H356-R373 HydrophobicContact CB-CG 4.3Å; H356-R373 PolarHBondContact CD2-NE 2.89Å; H356-R373 PolarHBondContact CD2-NH2 3.26Å; H356-R373 PolarHBondContact NE2-NE 3Å; H356-R373 PolarHBondContact NE2-NH2 3.05Å; D371-R373 PolarHBondContact O-N 2.79Å; D371-R373 WeakPolarHBondContact OD1-CB 3.41Å; D371-R373 VanDerWaalsContact OD1-CG 3.31Å; D371-R373 WeakPolarHBondContact OD1-CG 3.23Å; D371-R373 PolarHBondContact OD1-N 2.87Å
374S81.4Confident87.9Confident6 Ų632 Ų324%0.04218%0.179CC..  trans-127.697.2179.7168.30000111.7G59 D371 T372 K376G59-S374 WeakPolarHBondContact O-CA 3.41Å; D371-S374 CarbonylContact O-C 3.59Å; D371-S374 PolarHBondContact O-N 2.92Å; T372-S374 PolarHBondContact O-N 3.12Å; S374-K376 PolarHBondContact O-N 2.78Å
375C75.8Confident87.8Confident32 Ų3231.3 Ų31.322%0.21618%0.175CC..  trans-82.5-14-171.9-65.80000115.4L338 T372L338-C375 HydrophobicContact CD2-CB 3.99Å; T372-C375 PolarHBondContact O-SG 3.34Å
376K76.9Confident87.6Confident118 Ų11835.9 Ų35.951%0.51320%0.195SC..SBendtrans-82.2-29.8-168.6-159.9174-176.6179.50113.1E73 S374E73-K376 IonicContact OE1-NZ 2.78Å; E73-K376 PolarHBondContact OE1-NZ 3.42Å; S374-K376 PolarHBondContact O-N 2.78Å
377A81.6Confident87.6Confident32 Ų3237 Ų3726%0.26420%0.201SC..SBendtrans-147.4145.4-179.500000110.8
378P85.8Confident87.6Confident6 Ų641.5 Ų41.54%0.03922%0.22CC..  trans-66.7152.8171.332.2-37.8000109.8R63 S340 K368 L369 W370 D381R63-P378 PolarHBondContact NH1-O 3.15Å; R63-P378 PolarHBondContact NH2-O 2.78Å; S340-P378 WeakPolarHBondContact OG-CD 3.23Å; K368-P378 HydrophobicContact CB-CB 4.02Å; K368-P378 HydrophobicContact CD-CB 4.29Å; K368-P378 HydrophobicContact CD-CG 4.02Å; K368-P378 HydrophobicContact CG-CB 4.38Å; K368-P378 HydrophobicContact CG-CG 4.42Å; L369-P378 CarbonylContact O-C 3.56Å; L369-P378 WeakPolarHBondContact O-CA 3.39Å; L369-P378 VanDerWaalsContact O-CB 3.28Å; L369-P378 WeakPolarHBondContact O-CB 2.9Å; W370-P378 HydrophobicContact CD2-CB 3.97Å; W370-P378 HydrophobicContact CE3-CB 3.84Å; W370-P378 HydrophobicContact CH2-CB 4.27Å; W370-P378 HydrophobicContact CZ2-CB 4.32Å; W370-P378 HydrophobicContact CZ3-CB 3.99Å; W370-P378 HydrophobicContact CZ3-CG 4.46Å; P378-D381 WeakPolarHBondContact CG-OD1 3.39Å
379L85.3Confident87.7Confident16 Ų1641.2 Ų41.28%0.08422%0.219CC..SBendtrans-61.1-55.2172.8-71.5177.7000110.6F61 R63 I89 L369 D371F61-L379 HydrophobicContact CD2-CD2 3.77Å; F61-L379 HydrophobicContact CE2-CD2 3.52Å; F61-L379 HydrophobicContact CG-CD2 4.45Å; F61-L379 HydrophobicContact CZ-CD2 3.97Å; R63-L379 PolarHBondContact NH2-O 3.32Å; R63-L379 VanDerWaalsContact NH2-O 3.15Å; I89-L379 HydrophobicContact CB-CD1 4.47Å; I89-L379 HydrophobicContact CD1-CD1 3.48Å; I89-L379 VanDerWaalsContact CD1-CD1 3.48Å; I89-L379 HydrophobicContact CD1-CD2 4.34Å; I89-L379 HydrophobicContact CG2-CD1 4.16Å; L369-L379 HydrophobicContact CD2-CB 4.33Å; L369-L379 HydrophobicContact CD2-CD1 4.11Å; L369-L379 HydrophobicContact CG-CB 4.32Å; L369-L379 HydrophobicContact CG-CD1 4.26Å; L369-L379 PolarHBondContact O-N 2.92Å; D371-L379 HydrophobicContact CB-CD1 3.84Å; D371-L379 HydrophobicContact CB-CD2 4.32Å; D371-L379 HydrophobicContact CB-CG 3.99Å
380Y88.7Confident87.8Confident55 Ų5543.4 Ų43.422%0.21623%0.229CC..EExtended strand (participates in β ladder)trans-136.6145.7-177.6-61.7-70.2000112I89 T90 A91 L369I89-Y380 HydrophobicContact CG2-CE2 4.1Å; I89-Y380 PolarHBondContact O-OH 2.87Å; T90-Y380 WeakPolarHBondContact O-CE2 3.48Å; A91-Y380 HydrophobicContact CB-CD1 3.95Å; A91-Y380 HydrophobicContact CB-CE1 3.7Å; A91-Y380 HydrophobicContact CB-CE2 4.47Å; A91-Y380 HydrophobicContact CB-CG 4.45Å; L369-Y380 HydrophobicContact CD2-CD2 3.89Å; L369-Y380 PolarHBondContact N-O 3.01Å
381D90.8Very high87.9Confident85 Ų8543.9 Ų43.946%0.45523%0.232SC..EExtended strand (participates in β ladder)trans-107.5113.3172.2-72.7-5.7000108.5K368 P378K368-D381 WeakPolarHBondContact CG-OD1 3.22Å; K368-D381 IonicContact NZ-OD1 3.65Å; K368-D381 PolarHBondContact NZ-OD1 2.89Å; K368-D381 IonicContact NZ-OD2 3.77Å; K368-D381 PolarHBondContact NZ-OD2 3.03Å; P378-D381 WeakPolarHBondContact CG-OD1 3.39Å
382L90.1Very high88.2Confident15 Ų1544.1 Ų44.18%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-93.899.7176.2-53.9175.6000108.2P92 V367 M400 Y412P92-L382 HydrophobicContact CB-CD1 4.34Å; P92-L382 HydrophobicContact CB-CD2 3.92Å; P92-L382 HydrophobicContact CG-CD1 4.33Å; P92-L382 HydrophobicContact CG-CD2 3.95Å; V367-L382 HydrophobicContact CB-CB 4.12Å; V367-L382 HydrophobicContact CB-CD1 4.42Å; V367-L382 HydrophobicContact CG1-CD1 4.18Å; V367-L382 PolarHBondContact N-O 3.27Å; V367-L382 VanDerWaalsContact N-O 3.08Å; V367-L382 WeakPolarHBondContact O-CA 3.25Å; V367-L382 WeakPolarHBondContact O-CB 3.33Å; V367-L382 PolarHBondContact O-N 3.48Å; L382-M400 HydrophobicContact CD1-CE 4.39Å; L382-Y412 HydrophobicContact CB-CE1 4.2Å; L382-Y412 HydrophobicContact CD1-CD1 4.14Å; L382-Y412 HydrophobicContact CD1-CD2 4.09Å; L382-Y412 HydrophobicContact CD1-CE1 4.21Å; L382-Y412 HydrophobicContact CD1-CE2 4.18Å; L382-Y412 HydrophobicContact CD1-CG 4.06Å; L382-Y412 HydrophobicContact CD2-CD1 4.17Å; L382-Y412 HydrophobicContact CD2-CE1 4.17Å; L382-Y412 HydrophobicContact CG-CE1 4.43Å
383A89.1Confident88.7Confident76 Ų7644 Ų4463%0.62823%0.233SC*.  trans-10351.4-176.100000112L366L366-A383 HydrophobicContact CD2-CB 3.48Å; L366-A383 VanDerWaalsContact CD2-CB 3.48Å
384A87.8Confident89.2Confident30 Ų3041.3 Ų41.325%0.24822%0.223CC..  trans-88.7-30.6177.600000113.4Y410 Y412A384-Y410 HydrophobicContact CB-CD1 3.75Å; A384-Y410 HydrophobicContact CB-CD2 4.15Å; A384-Y410 HydrophobicContact CB-CE1 3.68Å; A384-Y410 HydrophobicContact CB-CE2 4.11Å; A384-Y410 HydrophobicContact CB-CG 3.96Å; A384-Y410 PolarHBondContact O-OH 2.74Å; A384-Y412 WeakPolarHBondContact CB-OH 3.45Å
385H90.4Very high89.5Confident11 Ų1141.4 Ų41.45%0.05122%0.223CC..  trans-75.4139.1-177.5-73.5-81.1000111.9N365 V389 S402 D406 Y410N365-H385 HydrophobicContact CB-CB 4.48Å; H385-V389 HydrophobicContact CB-CG2 4.11Å; H385-S402 PolarHBondContact CD2-OG 2.79Å; H385-S402 VanDerWaalsContact NE2-CB 3.27Å; H385-S402 WeakPolarHBondContact NE2-CB 3.26Å; H385-S402 PolarHBondContact NE2-O 2.75Å; H385-S402 PolarHBondContact NE2-OG 3.4Å; H385-D406 WeakPolarHBondContact CA-OD2 3.3Å; H385-D406 IonicContact CE1-OD1 3.33Å; H385-D406 IonicContact CE1-OD2 3.43Å; H385-D406 IonicContact CG-OD2 3.3Å; H385-D406 VanDerWaalsContact ND1-CG 3.28Å; H385-D406 IonicContact ND1-OD1 3.94Å; H385-D406 PolarHBondContact ND1-OD1 3.06Å; H385-D406 VanDerWaalsContact ND1-OD1 3.14Å; H385-D406 IonicContact ND1-OD2 2.61Å; H385-D406 PolarHBondContact ND1-OD2 2.98Å; H385-Y410 AromaticContact CD2-CD2 3.94Å; H385-Y410 AromaticContact CE1-CD2 3.4Å; H385-Y410 WeakPolarHBondContact CE1-CD2 3.42Å; H385-Y410 AromaticContact CE1-CE2 3.82Å; H385-Y410 AromaticContact CG-CD2 3.99Å; H385-Y410 AromaticContact CG-CE2 3.95Å; H385-Y410 AromaticContact ND1-CD2 3.64Å; H385-Y410 AromaticContact ND1-CE2 3.59Å; H385-Y410 AromaticContact NE2-CD2 3.58Å
386E90.7Very high89.9Confident142 Ų14246.2 Ų46.266%0.66425%0.246SC*.SBendtrans-92.5-17176.8-67170.7-14000112.3N365 K408N365-E386 PolarHBondContact ND2-O 3.15Å; E386-K408 IonicContact OE1-NZ 3.43Å; E386-K408 PolarHBondContact OE1-NZ 3.43Å
387D93.8Very high90.2Very high65 Ų6544 Ų4435%0.34825%0.246SC..SBendtrans-137.1-174.9-180-152-25.3000110.5N365 V389 A405 D406N365-D387 WeakPolarHBondContact CA-O 3.48Å; N365-D387 WeakPolarHBondContact CB-O 3.19Å; N365-D387 VanDerWaalsContact CG-C 3.4Å; N365-D387 WeakPolarHBondContact OD1-CA 3.1Å; N365-D387 PolarHBondContact OD1-O 2.83Å; D387-V389 PolarHBondContact O-N 2.73Å; D387-A405 HydrophobicContact CB-CB 4.1Å; D387-D406 HydrophobicContact CB-CB 4.15Å
388K94.1Very high90.3Very high96 Ų9642.9 Ų42.942%0.41724%0.238SC..  trans-56133-173.5-65.1158.5-175.7170.20112.1L363 N365 F390 G404 A405L363-K388 HydrophobicContact CB-CG 4.22Å; L363-K388 HydrophobicContact CD2-CB 3.73Å; L363-K388 HydrophobicContact CD2-CD 3.99Å; L363-K388 HydrophobicContact CD2-CG 3.73Å; N365-K388 PolarHBondContact OD1-N 3.46Å; K388-F390 HydrophobicContact CB-CE1 4.19Å; K388-F390 HydrophobicContact CB-CZ 4.44Å; K388-G404 CarbonylContact O-C 3.6Å; K388-G404 WeakPolarHBondContact O-CA 3.4Å; K388-A405 HydrophobicContact CB-CB 4.26Å; K388-A405 PolarHBondContact O-N 2.92Å
389V96.1Very high90.5Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-84.3131.8170.2-172.80000108.9T346 S362 V367 H385 D387 V392T346-V389 WeakPolarHBondContact CB-O 3.31Å; T346-V389 WeakPolarHBondContact CG2-O 3.44Å; T346-V389 PolarHBondContact OG1-O 2.8Å; S362-V389 PolarHBondContact O-N 2.76Å; V367-V389 HydrophobicContact CG2-CG1 4.05Å; V367-V389 HydrophobicContact CG2-CG2 4.05Å; H385-V389 HydrophobicContact CB-CG2 4.11Å; D387-V389 PolarHBondContact O-N 2.73Å; V389-V392 HydrophobicContact CG1-CG1 3.98Å
390F95Very high90.8Very high46 Ų4642.5 Ų42.520%0.20224%0.235CC..EExtended strand (participates in β ladder)trans-105.7-36.3178.3-68.1-42.9000112.8W103 I104 A347 L363 K388 G403 A405W103-F390 HydrophobicContact CB-CE2 4.16Å; W103-F390 HydrophobicContact CD2-CE2 4.19Å; W103-F390 AromaticContact CE3-CE2 3.99Å; W103-F390 HydrophobicContact CE3-CE2 3.99Å; W103-F390 HydrophobicContact CE3-CZ 4.24Å; W103-F390 HydrophobicContact CG-CE2 4.28Å; I104-F390 WeakPolarHBondContact O-CD2 3.5Å; A347-F390 WeakPolarHBondContact CB-O 3Å; L363-F390 HydrophobicContact CD2-CE1 4.47Å; K388-F390 HydrophobicContact CB-CE1 4.19Å; K388-F390 HydrophobicContact CB-CZ 4.44Å; F390-G403 PolarHBondContact N-O 2.96Å; F390-A405 HydrophobicContact CE2-CB 3.68Å; F390-A405 HydrophobicContact CZ-CB 3.91Å
391C94.7Very high91.1Very high9 Ų939.9 Ų39.96%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-137.9148.5-176.160.20000111.6S106 V107 S402 G403S106-C391 VanDerWaalsContact C-SG 3.57Å; V107-C391 HydrophobicContact CG1-CB 4.11Å; C391-S402 WeakPolarHBondContact O-CA 3.49Å; C391-G403 PolarHBondContact N-O 2.8Å; C391-G403 VanDerWaalsContact N-O 3.09Å; C391-G403 PolarHBondContact O-N 3.24Å
392V95.9Very high91.3Very high13 Ų1335.9 Ų35.98%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-137.7145.7171.1-61.80000109A347 K349 I359 V367 V389 L401A347-V392 HydrophobicContact CB-CG2 3.81Å; K349-V392 HydrophobicContact CB-CG2 4.27Å; I359-V392 HydrophobicContact CD1-CB 3.81Å; I359-V392 HydrophobicContact CD1-CG2 4.06Å; I359-V392 HydrophobicContact CG1-CB 4.25Å; I359-V392 HydrophobicContact CG1-CG2 3.97Å; V367-V392 HydrophobicContact CG1-CG1 4.2Å; V367-V392 HydrophobicContact CG2-CG1 4.1Å; V389-V392 HydrophobicContact CG1-CG1 3.98Å; V392-L401 CarbonylContact C-O 3.59Å; V392-L401 VanDerWaalsContact CA-O 3.23Å; V392-L401 WeakPolarHBondContact CA-O 3.48Å
393D95.2Very high91.5Very high10 Ų1035.1 Ų35.15%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-141.3156.1174.1-168.630.1000111.5V107 E108 A109 K349 I359 M400 L401V107-D393 HydrophobicContact CG1-CB 3.88Å; E108-D393 WeakPolarHBondContact CA-OD2 3.26Å; A109-D393 PolarHBondContact N-OD2 3Å; K349-D393 VanDerWaalsContact CE-OD1 3.24Å; K349-D393 WeakPolarHBondContact CE-OD1 3.33Å; K349-D393 IonicContact NZ-OD1 2.9Å; I359-D393 VanDerWaalsContact CD1-O 3.29Å; I359-D393 WeakPolarHBondContact CD1-O 3.16Å; D393-M400 CarbonylContact O-C 3.51Å; D393-M400 WeakPolarHBondContact O-CA 3.49Å; D393-L401 HydrophobicContact CB-CB 4.41Å; D393-L401 PolarHBondContact N-O 3.02Å; D393-L401 PolarHBondContact O-N 3.02Å
394W93.3Very high91.7Very high4 Ų431.5 Ų31.52%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-141.5117.7-179-165-22000109.5K349 A351 Q357 I359 L369 L399 M400 Y414K349-W394 HydrophobicContact CG-CB 3.98Å; A351-W394 HydrophobicContact CB-CD2 3.89Å; A351-W394 HydrophobicContact CB-CE3 3.77Å; A351-W394 HydrophobicContact CB-CH2 3.64Å; A351-W394 HydrophobicContact CB-CZ2 3.69Å; A351-W394 HydrophobicContact CB-CZ3 3.66Å; Q357-W394 HydrophobicContact CB-CH2 3.89Å; Q357-W394 HydrophobicContact CB-CZ3 4.18Å; I359-W394 HydrophobicContact CB-CE3 4.28Å; I359-W394 HydrophobicContact CD1-CB 3.98Å; I359-W394 HydrophobicContact CD1-CE3 4.36Å; I359-W394 HydrophobicContact CG1-CB 4.5Å; I359-W394 HydrophobicContact CG1-CE3 4.05Å; I359-W394 HydrophobicContact CG2-CE3 3.59Å; I359-W394 HydrophobicContact CG2-CZ3 3.67Å; L369-W394 HydrophobicContact CD1-CE3 4.47Å; L369-W394 HydrophobicContact CD1-CH2 3.4Å; L369-W394 VanDerWaalsContact CD1-CH2 3.4Å; L369-W394 HydrophobicContact CD1-CZ3 3.29Å; W394-L399 WeakPolarHBondContact CA-O 3.42Å; W394-M400 HydrophobicContact CB-CG 4.48Å; W394-M400 HydrophobicContact CD2-CG 3.74Å; W394-M400 HydrophobicContact CD2-SD 3.98Å; W394-M400 HydrophobicContact CE3-CG 4.25Å; W394-M400 HydrophobicContact CE3-SD 3.97Å; W394-M400 HydrophobicContact CG-CG 3.84Å; W394-M400 HydrophobicContact CH2-SD 4.1Å; W394-M400 HydrophobicContact CZ2-SD 4.15Å; W394-M400 HydrophobicContact CZ3-SD 4.01Å; W394-Y414 HydrophobicContact CH2-CD1 4.06Å; W394-Y414 AromaticContact CH2-CE1 3.79Å; W394-Y414 HydrophobicContact CH2-CE1 3.79Å; W394-Y414 AromaticContact CZ2-CD1 3.31Å; W394-Y414 HydrophobicContact CZ2-CD1 3.31Å; W394-Y414 AromaticContact CZ2-CE1 3.37Å; W394-Y414 HydrophobicContact CZ2-CE1 3.37Å; W394-Y414 HydrophobicContact CZ2-CG 4.23Å
395T89.6Confident92Very high9 Ų930.5 Ų30.56%0.05516%0.161CC..  trans-91.1160.9-179.670.20000113.6A109 S397 G398 L399A109-T395 HydrophobicContact CB-CG2 3.52Å; T395-S397 PolarHBondContact O-N 3.29Å; T395-S397 PolarHBondContact OG1-N 3.25Å; T395-S397 PolarHBondContact OG1-OG 2.86Å; T395-G398 PolarHBondContact O-N 2.82Å; T395-L399 HydrophobicContact CG2-CB 4.36Å; T395-L399 PolarHBondContact N-O 2.87Å; T395-L399 VanDerWaalsContact OG1-CB 3.3Å; T395-L399 WeakPolarHBondContact OG1-CB 3.24Å; T395-L399 PolarHBondContact OG1-N 2.82Å; T395-L399 PolarHBondContact OG1-O 2.92Å
396D83.1Confident92.2Very high132 Ų13231 Ų3171%0.70616%0.164SC*.THydrogen-bonded Turntrans-61.7-24.9171.9-70.3-44.3000113.7P352 G398P352-D396 WeakPolarHBondContact CB-OD1 3.34Å; P352-D396 WeakPolarHBondContact CG-OD1 3.38Å; D396-G398 PolarHBondContact O-N 2.87Å
397S82.7Confident92.3Very high73 Ų7326.2 Ų26.251%0.5114%0.143SC..THydrogen-bonded Turntrans-73.5-2.7175.8570000113.4T395T395-S397 PolarHBondContact O-N 3.29Å; T395-S397 PolarHBondContact OG1-N 3.25Å; T395-S397 PolarHBondContact OG1-OG 2.86Å
398G84.2Confident92.3Very high8 Ų824.9 Ų24.98%0.08213%0.134CC..SBendtrans79.420.3-176.200000113T395 D396 Y414T395-G398 PolarHBondContact O-N 2.82Å; D396-G398 PolarHBondContact O-N 2.87Å; G398-Y414 WeakPolarHBondContact CA-O 3.19Å; G398-Y414 CarbonylContact O-C 3.57Å; G398-Y414 WeakPolarHBondContact O-CA 3Å; G398-Y414 WeakPolarHBondContact O-CB 3.47Å; G398-Y414 PolarHBondContact O-N 3.34Å
399L89.8Confident92.3Very high11 Ų1120.3 Ų20.36%0.05812%0.115CC..EExtended strand (participates in β ladder)trans-89.7126.3172.9-16768.6000109.1I114 L128 W394 T395 L401I114-L399 HydrophobicContact CD1-CD2 4.38Å; L128-L399 HydrophobicContact CD2-CD2 3.81Å; W394-L399 WeakPolarHBondContact CA-O 3.42Å; T395-L399 HydrophobicContact CG2-CB 4.36Å; T395-L399 PolarHBondContact N-O 2.87Å; T395-L399 VanDerWaalsContact OG1-CB 3.3Å; T395-L399 WeakPolarHBondContact OG1-CB 3.24Å; T395-L399 PolarHBondContact OG1-N 2.82Å; T395-L399 PolarHBondContact OG1-O 2.92Å; L399-L401 HydrophobicContact CD2-CD2 3.92Å; L399-L401 HydrophobicContact CD2-CG 4.37Å; L399-L401 HydrophobicContact CG-CD2 4.06Å; L399-L401 HydrophobicContact CG-CG 4.36Å
400M92.3Very high92.2Very high2 Ų221.7 Ų21.71%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-105.2138.5170.2-62.9-178-62.700109.6P92 I359 L369 L382 D393 W394 T411 Y412 Y414P92-M400 HydrophobicContact CB-CE 3.29Å; P92-M400 HydrophobicContact CG-CE 3.29Å; I359-M400 HydrophobicContact CD1-CB 4.46Å; I359-M400 HydrophobicContact CD1-CG 4.48Å; I359-M400 HydrophobicContact CG2-CG 4.45Å; I359-M400 HydrophobicContact CG2-SD 3.46Å; I359-M400 WeakPolarHBondContact CG2-SD 3.37Å; L369-M400 HydrophobicContact CD1-SD 4.38Å; L382-M400 HydrophobicContact CD1-CE 4.39Å; D393-M400 CarbonylContact O-C 3.51Å; D393-M400 WeakPolarHBondContact O-CA 3.49Å; W394-M400 HydrophobicContact CB-CG 4.48Å; W394-M400 HydrophobicContact CD2-CG 3.74Å; W394-M400 HydrophobicContact CD2-SD 3.98Å; W394-M400 HydrophobicContact CE3-CG 4.25Å; W394-M400 HydrophobicContact CE3-SD 3.97Å; W394-M400 HydrophobicContact CG-CG 3.84Å; W394-M400 HydrophobicContact CH2-SD 4.1Å; W394-M400 HydrophobicContact CZ2-SD 4.15Å; W394-M400 HydrophobicContact CZ3-SD 4.01Å; M400-T411 CarbonylContact O-C 3.59Å; M400-T411 WeakPolarHBondContact O-CA 3.4Å; M400-Y412 PolarHBondContact N-O 2.86Å; M400-Y412 PolarHBondContact O-N 2.82Å; M400-Y414 HydrophobicContact CE-CD2 4.22Å; M400-Y414 HydrophobicContact CE-CG 4.01Å
401L93.8Very high92Very high1 Ų119.5 Ų19.51%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-126.7143.3-175.9-61.6173.9000109.8V107 A109 I114 V392 D393 L399 L409 Y410 T411V107-L401 HydrophobicContact CG1-CB 4.19Å; V107-L401 HydrophobicContact CG2-CB 4.08Å; V107-L401 HydrophobicContact CG2-CD1 3.77Å; A109-L401 HydrophobicContact CB-CD1 3.15Å; A109-L401 HydrophobicContact CB-CG 4.48Å; I114-L401 HydrophobicContact CD1-CD1 4.38Å; I114-L401 HydrophobicContact CD1-CD2 3.99Å; I114-L401 HydrophobicContact CG1-CD1 4.17Å; I114-L401 HydrophobicContact CG2-CD1 3.77Å; V392-L401 CarbonylContact C-O 3.59Å; V392-L401 VanDerWaalsContact CA-O 3.23Å; V392-L401 WeakPolarHBondContact CA-O 3.48Å; D393-L401 HydrophobicContact CB-CB 4.41Å; D393-L401 PolarHBondContact N-O 3.02Å; D393-L401 PolarHBondContact O-N 3.02Å; L399-L401 HydrophobicContact CD2-CD2 3.92Å; L399-L401 HydrophobicContact CD2-CG 4.37Å; L399-L401 HydrophobicContact CG-CD2 4.06Å; L399-L401 HydrophobicContact CG-CG 4.36Å; L401-L409 HydrophobicContact CD2-CD2 4.48Å; L401-Y410 WeakPolarHBondContact CA-O 3.42Å; L401-T411 HydrophobicContact CD2-CG2 3.32Å
402S95Very high91.9Very high0 Ų019.4 Ų19.40%011%0.109CC..EExtended strand (participates in β ladder)trans-143.4136.3172.964.10000111.6H385 C391 L409 Y410H385-S402 PolarHBondContact CD2-OG 2.79Å; H385-S402 VanDerWaalsContact NE2-CB 3.27Å; H385-S402 WeakPolarHBondContact NE2-CB 3.26Å; H385-S402 PolarHBondContact NE2-O 2.75Å; H385-S402 PolarHBondContact NE2-OG 3.4Å; C391-S402 WeakPolarHBondContact O-CA 3.49Å; S402-L409 WeakPolarHBondContact O-CA 3.28Å; S402-L409 WeakPolarHBondContact O-CD1 3.41Å; S402-Y410 PolarHBondContact N-O 3.28Å; S402-Y410 PolarHBondContact O-N 3.02Å
403G95.3Very high91.4Very high0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-136.1147.1-178.500000111.3F390 C391F390-G403 PolarHBondContact N-O 2.96Å; C391-G403 PolarHBondContact N-O 2.8Å; C391-G403 VanDerWaalsContact N-O 3.09Å; C391-G403 PolarHBondContact O-N 3.24Å
404G93.8Very high90.9Very high0 Ų024.1 Ų24.10%013%0.128CC..EExtended strand (participates in β ladder)trans-158-161.5-172.600000115.7I104 K388 D406I104-G404 PolarHBondContact N-O 3.04Å; I104-G404 VanDerWaalsContact N-O 3.09Å; K388-G404 CarbonylContact O-C 3.6Å; K388-G404 WeakPolarHBondContact O-CA 3.4Å; G404-D406 PolarHBondContact O-N 2.94Å
405A94.5Very high89.7Confident8 Ų827.8 Ų27.87%0.06615%0.154CC..THydrogen-bonded Turntrans-76-8.6-179.100000113.9W103 D387 K388 F390 N407W103-A405 HydrophobicContact CD2-CB 4.35Å; W103-A405 HydrophobicContact CG-CB 4.36Å; W103-A405 PolarHBondContact NE1-O 2.83Å; W103-A405 VanDerWaalsContact NE1-O 3.15Å; D387-A405 HydrophobicContact CB-CB 4.1Å; K388-A405 HydrophobicContact CB-CB 4.26Å; K388-A405 PolarHBondContact O-N 2.92Å; F390-A405 HydrophobicContact CE2-CB 3.68Å; F390-A405 HydrophobicContact CZ-CB 3.91Å; A405-N407 PolarHBondContact O-N 2.95Å
406D92.8Very high88Confident23 Ų2328.6 Ų28.612%0.12316%0.161CC..THydrogen-bonded Turntrans-83.86.6176.561.2-9.4000113.4H385 D387 G404 K408H385-D406 WeakPolarHBondContact CA-OD2 3.3Å; H385-D406 IonicContact CE1-OD1 3.33Å; H385-D406 IonicContact CE1-OD2 3.43Å; H385-D406 IonicContact CG-OD2 3.3Å; H385-D406 VanDerWaalsContact ND1-CG 3.28Å; H385-D406 IonicContact ND1-OD1 3.94Å; H385-D406 PolarHBondContact ND1-OD1 3.06Å; H385-D406 VanDerWaalsContact ND1-OD1 3.14Å; H385-D406 IonicContact ND1-OD2 2.61Å; H385-D406 PolarHBondContact ND1-OD2 2.98Å; D387-D406 HydrophobicContact CB-CB 4.15Å; G404-D406 PolarHBondContact O-N 2.94Å; D406-K408 PolarHBondContact O-N 3.42Å; D406-K408 PolarHBondContact OD1-N 2.91Å
407N93.4Very high86.4Confident41 Ų4124.2 Ų24.222%0.21914%0.144CC..SBendtrans58.221.9-177.5-54-10.2000113.2H100 D102 W103 A405H100-N407 HydrophobicContact CB-CB 4.38Å; H100-N407 WeakPolarHBondContact CB-O 3.4Å; H100-N407 PolarHBondContact N-O 3.02Å; H100-N407 WeakPolarHBondContact O-CB 3.49Å; D102-N407 PolarHBondContact O-OD1 3.18Å; W103-N407 PolarHBondContact N-OD1 2.9Å; A405-N407 PolarHBondContact O-N 2.95Å
408K93.6Very high84.2Confident37 Ų3727.8 Ų27.816%0.16115%0.152CC..EExtended strand (participates in β ladder)trans-117.9133.2-177.7-69.9171.7-169.8172.50110.1I98 M99 I104 E386 D406 Y410I98-K408 WeakPolarHBondContact O-CA 3.34Å; M99-K408 HydrophobicContact CE-CG 4.36Å; M99-K408 HydrophobicContact SD-CD 4.14Å; M99-K408 HydrophobicContact SD-CG 3.54Å; M99-K408 VanDerWaalsContact SD-CG 3.54Å; I104-K408 VanDerWaalsContact CD1-C 3.42Å; I104-K408 WeakPolarHBondContact CD1-O 3.3Å; E386-K408 IonicContact OE1-NZ 3.43Å; E386-K408 PolarHBondContact OE1-NZ 3.43Å; D406-K408 PolarHBondContact O-N 3.42Å; D406-K408 PolarHBondContact OD1-N 2.91Å; K408-Y410 HydrophobicContact CB-CD2 4.22Å; K408-Y410 HydrophobicContact CB-CE2 3.65Å; K408-Y410 HydrophobicContact CD-CE2 4.08Å; K408-Y410 WeakPolarHBondContact CD-OH 3.34Å
409L94.2Very high81.9Confident0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-97.8118.5163.2-169.376.3000108.3C97 I98 I104 V107 I114 T116 L401 S402C97-L409 CarbonylContact C-O 3.36Å; C97-L409 WeakPolarHBondContact CA-O 3.34Å; I98-L409 HydrophobicContact CB-CB 4.12Å; I98-L409 HydrophobicContact CD1-CD2 3.98Å; I98-L409 PolarHBondContact N-O 2.82Å; I98-L409 PolarHBondContact O-N 3.29Å; I104-L409 HydrophobicContact CD1-CB 3.81Å; I104-L409 HydrophobicContact CD1-CD1 4.33Å; V107-L409 HydrophobicContact CB-CD1 4.11Å; V107-L409 HydrophobicContact CG1-CD1 4.48Å; V107-L409 HydrophobicContact CG2-CD1 3.83Å; V107-L409 HydrophobicContact CG2-CD2 4.36Å; I114-L409 HydrophobicContact CD1-CD2 4.5Å; I114-L409 HydrophobicContact CG2-CD2 3.74Å; T116-L409 HydrophobicContact CG2-CD1 4.31Å; T116-L409 HydrophobicContact CG2-CD2 3.87Å; L401-L409 HydrophobicContact CD2-CD2 4.48Å; S402-L409 WeakPolarHBondContact O-CA 3.28Å; S402-L409 WeakPolarHBondContact O-CD1 3.41Å
410Y93.9Very high79.3Confident28 Ų2837.1 Ų37.111%0.1121%0.205CC..EExtended strand (participates in β ladder)trans-96.3137171.8-68.4-84.4000110C97 A384 H385 L401 S402 K408C97-Y410 HydrophobicContact CB-CD1 4.09Å; C97-Y410 HydrophobicContact CB-CE1 3.96Å; A384-Y410 HydrophobicContact CB-CD1 3.75Å; A384-Y410 HydrophobicContact CB-CD2 4.15Å; A384-Y410 HydrophobicContact CB-CE1 3.68Å; A384-Y410 HydrophobicContact CB-CE2 4.11Å; A384-Y410 HydrophobicContact CB-CG 3.96Å; A384-Y410 PolarHBondContact O-OH 2.74Å; H385-Y410 AromaticContact CD2-CD2 3.94Å; H385-Y410 AromaticContact CE1-CD2 3.4Å; H385-Y410 WeakPolarHBondContact CE1-CD2 3.42Å; H385-Y410 AromaticContact CE1-CE2 3.82Å; H385-Y410 AromaticContact CG-CD2 3.99Å; H385-Y410 AromaticContact CG-CE2 3.95Å; H385-Y410 AromaticContact ND1-CD2 3.64Å; H385-Y410 AromaticContact ND1-CE2 3.59Å; H385-Y410 AromaticContact NE2-CD2 3.58Å; L401-Y410 WeakPolarHBondContact CA-O 3.42Å; S402-Y410 PolarHBondContact N-O 3.28Å; S402-Y410 PolarHBondContact O-N 3.02Å; K408-Y410 HydrophobicContact CB-CD2 4.22Å; K408-Y410 HydrophobicContact CB-CE2 3.65Å; K408-Y410 HydrophobicContact CD-CE2 4.08Å; K408-Y410 WeakPolarHBondContact CD-OH 3.34Å
411T92.1Very high76.4Confident1 Ų141.9 Ų41.91%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-111.8134.7171.574.50000109.2E95 E96 I114 M400 L401E95-T411 PolarHBondContact N-O 3.22Å; E96-T411 HydrophobicContact CB-CG2 4.41Å; E96-T411 WeakPolarHBondContact CB-OG1 3.38Å; E96-T411 PolarHBondContact N-OG1 2.79Å; E96-T411 PolarHBondContact O-N 3.23Å; I114-T411 HydrophobicContact CD1-CG2 4.15Å; M400-T411 CarbonylContact O-C 3.59Å; M400-T411 WeakPolarHBondContact O-CA 3.4Å; L401-T411 HydrophobicContact CD2-CG2 3.32Å
412Y90.7Very high73.5Confident7 Ų745.2 Ų45.23%0.02728%0.279CS..EExtended strand (participates in β ladder)trans-125.9126.6176.9-52.4-95.5000108.8E93 P94 L382 A384 M400E93-Y412 CarbonylContact O-C 3.46Å; E93-Y412 VanDerWaalsContact O-CA 3.26Å; E93-Y412 WeakPolarHBondContact O-CA 3.27Å; P94-Y412 HydrophobicContact CB-CD1 4Å; P94-Y412 HydrophobicContact CB-CE1 4.02Å; L382-Y412 HydrophobicContact CB-CE1 4.2Å; L382-Y412 HydrophobicContact CD1-CD1 4.14Å; L382-Y412 HydrophobicContact CD1-CD2 4.09Å; L382-Y412 HydrophobicContact CD1-CE1 4.21Å; L382-Y412 HydrophobicContact CD1-CE2 4.18Å; L382-Y412 HydrophobicContact CD1-CG 4.06Å; L382-Y412 HydrophobicContact CD2-CD1 4.17Å; L382-Y412 HydrophobicContact CD2-CE1 4.17Å; L382-Y412 HydrophobicContact CG-CE1 4.43Å; A384-Y412 WeakPolarHBondContact CB-OH 3.45Å; M400-Y412 PolarHBondContact N-O 2.86Å; M400-Y412 PolarHBondContact O-N 2.82Å
413K87.3Confident70.3Confident117 Ų11753.8 Ų53.851%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-84124.6172.9-168170.5-175.5170.60109.1E93E93-K413 PolarHBondContact N-O 3.38Å; E93-K413 VanDerWaalsContact N-O 3.08Å; E93-K413 PolarHBondContact O-N 3.25Å
414Y83.3Confident69Low5 Ų556.5 Ų56.52%0.0237%0.367CS..  trans-124.192176.1-178.6-101.6000109.1I89 T90 P92 Q357 L369 W394 G398 M400 A416I89-Y414 HydrophobicContact CG2-CE2 3.65Å; I89-Y414 WeakPolarHBondContact CG2-OH 3.29Å; T90-Y414 WeakPolarHBondContact O-CE2 3.39Å; P92-Y414 HydrophobicContact CB-CD2 4.46Å; P92-Y414 HydrophobicContact CG-CD2 3.95Å; Q357-Y414 PolarHBondContact NE2-OH 2.92Å; Q357-Y414 VanDerWaalsContact OE1-CE1 3.31Å; Q357-Y414 PolarHBondContact OE1-OH 2.81Å; L369-Y414 HydrophobicContact CD2-CD2 4.4Å; L369-Y414 HydrophobicContact CD2-CE2 3.74Å; W394-Y414 HydrophobicContact CH2-CD1 4.06Å; W394-Y414 AromaticContact CH2-CE1 3.79Å; W394-Y414 HydrophobicContact CH2-CE1 3.79Å; W394-Y414 AromaticContact CZ2-CD1 3.31Å; W394-Y414 HydrophobicContact CZ2-CD1 3.31Å; W394-Y414 AromaticContact CZ2-CE1 3.37Å; W394-Y414 HydrophobicContact CZ2-CE1 3.37Å; W394-Y414 HydrophobicContact CZ2-CG 4.23Å; G398-Y414 WeakPolarHBondContact CA-O 3.19Å; G398-Y414 CarbonylContact O-C 3.57Å; G398-Y414 WeakPolarHBondContact O-CA 3Å; G398-Y414 WeakPolarHBondContact O-CB 3.47Å; G398-Y414 PolarHBondContact O-N 3.34Å; M400-Y414 HydrophobicContact CE-CD2 4.22Å; M400-Y414 HydrophobicContact CE-CG 4.01Å; Y414-A416 VanDerWaalsContact C-N 3.34Å; Y414-A416 HydrophobicContact CD1-CB 4.24Å; Y414-A416 HydrophobicContact CE1-CB 3.6Å; Y414-A416 PolarHBondContact O-N 3.42Å
415S67.7Low67.7Low80 Ų8059.4 Ų59.456%0.55939%0.387SS*.  trans-81.488.6163.364.10000107.7T90 A417T90-S415 PolarHBondContact OG1-O 2.82Å; S415-A417 PolarHBondContact O-N 2.81Å
416A55.5Low66.2Low26 Ų2662.3 Ų62.322%0.21541%0.405CS..  trans-57.2129.5152.900000107H354 Y414 Q418H354-A416 WeakPolarHBondContact CE1-CB 3.39Å; H354-A416 WeakPolarHBondContact NE2-CB 3.44Å; Y414-A416 VanDerWaalsContact C-N 3.34Å; Y414-A416 HydrophobicContact CD1-CB 4.24Å; Y414-A416 HydrophobicContact CE1-CB 3.6Å; Y414-A416 PolarHBondContact O-N 3.42Å; A416-Q418 PolarHBondContact O-N 3.29Å
417A48.4Very low64.7Low41 Ų4164.6 Ų64.634%0.33942%0.421SS..  trans-47.1133.8-172.300000111.2Q87 S415 T419Q87-A417 HydrophobicContact CG-CB 4.13Å; S415-A417 PolarHBondContact O-N 2.81Å; A417-T419 PolarHBondContact O-N 2.89Å
418Q36.6Very low62.9Low147 Ų14766.1 Ų66.169%0.68743%0.434SS*.  trans-43.6111.7-179.2-73.9166.9-51.700110.7A416 D420A416-Q418 PolarHBondContact O-N 3.29Å; Q418-D420 HydrophobicContact CB-CB 4.36Å; Q418-D420 PolarHBondContact O-N 3.02Å
419T37.2Very low60.8Low120 Ų12068 Ų6874%0.73645%0.452SS*.  trans-66.677143.8520000106.2A417 A421A417-T419 PolarHBondContact O-N 2.89Å; T419-A421 PolarHBondContact O-N 3.14Å
420D33.8Very low58.4Low95 Ų9572.9 Ų72.951%0.50848%0.484SS..  trans-61.792.6170.9-106.8-2.4000106.4R14 Q418 G422R14-D420 PolarHBondContact NH1-O 2.67Å; R14-D420 PolarHBondContact NH2-O 2.71Å; Q418-D420 HydrophobicContact CB-CB 4.36Å; Q418-D420 PolarHBondContact O-N 3.02Å; D420-G422 VanDerWaalsContact C-N 3.27Å; D420-G422 PolarHBondContact O-N 2.95Å
421A32.4Very low55.7Low103 Ų10376.3 Ų76.385%0.85151%0.513SS*.  trans-71.989.3167.600000106.4T419T419-A421 PolarHBondContact O-N 3.14Å
422G31.4Very low52.7Low71 Ų7182.6 Ų82.673%0.73256%0.555SS**  trans163.978.7176.500000114.8D420D420-G422 VanDerWaalsContact C-N 3.27Å; D420-G422 PolarHBondContact O-N 2.95Å
423A27.9Very low49.2Very low179 Ų17989.5 Ų89.5100%1.47960%0.603SS**  trans-150.50143.500000109

Retrieved 423 of 423 residues in 74.5 ms (Link to these results)

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