A0A087XV48_POEFO Loading...

Neurexin 2

Neuronal cell surface protein that may be involved in cell recognition and cell adhesion.

AlphaFold DB , UniProt , Accession A0A087XV48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 847 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
1S40.1Very low72.5Confident171 Ų17188.5 Ų88.5100%1.19649%0.487SS*.  091.6042.90000107.3G3S1-G3 PolarHBondContact O-N 3.35Å
2E36.7Very low74.1Confident200 Ų20088.3 Ų88.394%0.93548%0.478SS*.PPolyproline II helixtrans-59.6125.4171-73.3170.2152.800107.9K4E2-K4 PolarHBondContact O-N 3.37Å
3G42.8Very low75.4Confident70 Ų7081.5 Ų81.572%0.72244%0.441SS*.PPolyproline II helixtrans-63.2126.9-179.200000109.6S1 E5S1-G3 PolarHBondContact O-N 3.35Å; G3-E5 PolarHBondContact O-N 3.35Å; G3-E5 VanDerWaalsContact O-N 3.15Å
4K56.5Low76.7Confident188 Ų18880.2 Ų80.282%0.81743%0.434SS*.PPolyproline II helixtrans-54.9119.1166.8-96.9-178.5166.5-171.50107.9E2 E6E2-K4 PolarHBondContact O-N 3.37Å; K4-E6 PolarHBondContact O-N 3.15Å
5E65.6Low77.9Confident185 Ų18576 Ų7686%0.86441%0.41SS*.PPolyproline II helixtrans-58126.7167-81.9178.9141.200109G3 S7G3-E5 PolarHBondContact O-N 3.35Å; G3-E5 VanDerWaalsContact O-N 3.15Å; E5-S7 PolarHBondContact O-N 3.48Å
6E78.6Confident79.1Confident118 Ų11871.9 Ų71.955%0.55139%0.387SS*.PPolyproline II helixtrans-68.1127.7177.3-70.9-167.813900110K4 V8 K164K4-E6 PolarHBondContact O-N 3.15Å; E6-V8 PolarHBondContact O-N 2.75Å; E6-K164 IonicContact OE1-NZ 2.74Å; E6-K164 PolarHBondContact OE1-NZ 3.3Å; E6-K164 IonicContact OE2-NZ 3.96Å
7S92.2Very high80.2Confident19 Ų1967.8 Ų67.813%0.13337%0.365CS..  trans-89.887-179.2-63.20000110.2E5 K164 D165 S178E5-S7 PolarHBondContact O-N 3.48Å; S7-K164 CarbonylContact O-C 3.52Å; S7-K164 VanDerWaalsContact O-CA 3.24Å; S7-K164 WeakPolarHBondContact O-CA 3.39Å; S7-D165 PolarHBondContact N-OD1 3.24Å; S7-D165 PolarHBondContact O-N 3.03Å; S7-S178 VanDerWaalsContact O-CB 3.31Å; S7-S178 WeakPolarHBondContact O-CB 3.3Å
8V95.9Very high81.1Confident16 Ų1664.3 Ų64.310%0.09735%0.347CS..EExtended strand (participates in β ladder)trans-120.8143.1-172.763.70000113.2E6 W92 C162 K164 F196 R197 C198E6-V8 PolarHBondContact O-N 2.75Å; V8-W92 HydrophobicContact CG2-CH2 3.71Å; V8-W92 HydrophobicContact CG2-CZ2 4.1Å; V8-C162 HydrophobicContact CG2-CB 4.16Å; V8-K164 HydrophobicContact CB-CB 3.69Å; V8-K164 HydrophobicContact CG2-CB 3.84Å; V8-F196 CarbonylContact O-C 3.45Å; V8-F196 VanDerWaalsContact O-C 3.22Å; V8-F196 VanDerWaalsContact O-CA 3.3Å; V8-F196 WeakPolarHBondContact O-CA 3.39Å; V8-R197 PolarHBondContact O-N 2.95Å; V8-C198 HydrophobicContact CG2-CB 3.78Å
9A96.2Very high81.9Confident4 Ų461.6 Ų61.63%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-133.1146.1173.700000111.9F11 C162 L163 L194 V195 F196A9-F11 HydrophobicContact CB-CE2 3.85Å; A9-F11 HydrophobicContact CB-CZ 4.13Å; A9-C162 VanDerWaalsContact O-CA 3.29Å; A9-C162 WeakPolarHBondContact O-CA 3.41Å; A9-L163 PolarHBondContact N-O 2.99Å; A9-L163 PolarHBondContact O-N 2.96Å; A9-L194 HydrophobicContact CB-CD1 4.39Å; A9-L194 HydrophobicContact CB-CD2 4.23Å; A9-L194 HydrophobicContact CB-CG 4.3Å; A9-V195 CarbonylContact C-O 3.22Å; A9-V195 WeakPolarHBondContact CA-O 3.39Å; A9-F196 HydrophobicContact CB-CD1 4.01Å; A9-F196 HydrophobicContact CB-CE1 4.32Å
10T96.5Very high82.5Confident1 Ų161 Ų611%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-98.7130.9173.6-64.40000110.9K12 L194 V195 R197 C198 E199 V201T10-K12 HydrophobicContact CG2-CG 4.3Å; T10-L194 WeakPolarHBondContact O-CD1 3.34Å; T10-V195 PolarHBondContact N-O 3.4Å; T10-R197 PolarHBondContact OG1-O 2.7Å; T10-C198 WeakPolarHBondContact OG1-CA 3.38Å; T10-E199 HydrophobicContact CG2-CB 4.23Å; T10-E199 PolarHBondContact OG1-N 2.71Å; T10-V201 HydrophobicContact CG2-CG2 3.43Å; T10-V201 VanDerWaalsContact CG2-CG2 3.43Å
11F96.1Very high83Confident1 Ų158 Ų580%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-115.2130.7176-56.5-98.7000108.8A9 F17 I141 F159 M160 G161 L163 L194A9-F11 HydrophobicContact CB-CE2 3.85Å; A9-F11 HydrophobicContact CB-CZ 4.13Å; F11-F17 HydrophobicContact CE1-CD1 4.19Å; F11-F17 HydrophobicContact CE1-CE1 4.37Å; F11-F17 HydrophobicContact CZ-CD1 4.12Å; F11-F17 AromaticContact CZ-CE1 3.85Å; F11-F17 HydrophobicContact CZ-CE1 3.85Å; F11-I141 HydrophobicContact CZ-CG2 4.19Å; F11-F159 HydrophobicContact CB-CD1 4.24Å; F11-F159 WeakPolarHBondContact CB-O 3.48Å; F11-F159 HydrophobicContact CD2-CD1 4.24Å; F11-F159 HydrophobicContact CG-CD1 4.42Å; F11-M160 CarbonylContact O-C 3.57Å; F11-M160 VanDerWaalsContact O-CA 3.3Å; F11-M160 WeakPolarHBondContact O-CA 3.4Å; F11-G161 PolarHBondContact N-O 2.96Å; F11-G161 PolarHBondContact O-N 2.81Å; F11-L163 HydrophobicContact CD2-CB 4.44Å; F11-L163 HydrophobicContact CD2-CD1 4.27Å; F11-L163 HydrophobicContact CD2-CG 4.18Å; F11-L163 HydrophobicContact CE2-CB 3.77Å; F11-L163 HydrophobicContact CE2-CD1 3.81Å; F11-L163 HydrophobicContact CE2-CG 3.86Å; F11-L163 HydrophobicContact CZ-CD1 4.09Å; F11-L194 HydrophobicContact CD1-CD1 3.7Å; F11-L194 HydrophobicContact CE1-CD1 3.6Å; F11-L194 HydrophobicContact CG-CD1 4.24Å; F11-L194 HydrophobicContact CZ-CD1 4.05Å
12K92.7Very high85.4Confident87 Ų8753 Ų5338%0.37828%0.277SS..EExtended strand (participates in β ladder)trans-110.915.3-179.8-58.8174.5-179.3172.80111T10 E15 E199T10-K12 HydrophobicContact CG2-CG 4.3Å; K12-E15 VanDerWaalsContact CA-OE2 3.27Å; K12-E15 WeakPolarHBondContact CA-OE2 3.46Å; K12-E15 WeakPolarHBondContact CB-OE2 3.05Å; K12-E15 PolarHBondContact N-OE2 2.88Å; K12-E199 IonicContact NZ-OE2 3.07Å; K12-E199 PolarHBondContact NZ-OE2 3.2Å
13G91.1Very high87.6Confident0 Ų049.7 Ų49.70%027%0.265CS..SBendtrans88.2-0.9176.300000114.7E15 N158 F159 S378G13-E15 PolarHBondContact N-OE2 3.09Å; G13-N158 WeakPolarHBondContact O-CB 3.16Å; G13-F159 WeakPolarHBondContact CA-O 3.36Å; G13-F159 PolarHBondContact N-O 3.39Å; G13-S378 PolarHBondContact O-N 2.87Å
14N92.6Very high89.7Confident63 Ų6349 Ų4934%0.33725%0.247SC..SBendtrans-118.8-8.7174.9-70.2-51.3000112.9K377 S378N14-K377 VanDerWaalsContact OD1-CB 3.29Å; N14-K377 WeakPolarHBondContact OD1-CB 3.45Å; N14-S378 PolarHBondContact ND2-O 2.81Å; N14-S378 PolarHBondContact OD1-N 3.25Å
15E95.3Very high91.3Very high17 Ų1742.7 Ų42.78%0.07923%0.225CC..  trans-103.6146.3-179.2-50.974.9-16900110.6K12 G13 H191 L194K12-E15 VanDerWaalsContact CA-OE2 3.27Å; K12-E15 WeakPolarHBondContact CA-OE2 3.46Å; K12-E15 WeakPolarHBondContact CB-OE2 3.05Å; K12-E15 PolarHBondContact N-OE2 2.88Å; G13-E15 PolarHBondContact N-OE2 3.09Å; E15-H191 WeakPolarHBondContact CA-O 3.1Å; E15-L194 HydrophobicContact CB-CB 4.44Å; E15-L194 HydrophobicContact CB-CD1 3.75Å
16F97Very high92.4Very high10 Ų1033.9 Ų33.94%0.04418%0.183CC..EExtended strand (participates in β ladder)trans-159170.3167.363.4-85.5000108.3Y140 I141 G143 P145 H191F16-Y140 HydrophobicContact CD2-CD1 4.14Å; F16-Y140 HydrophobicContact CE2-CD1 4.14Å; F16-Y140 HydrophobicContact CE2-CE1 4.22Å; F16-I141 WeakPolarHBondContact CA-O 3.07Å; F16-I141 WeakPolarHBondContact CB-O 3.46Å; F16-G143 WeakPolarHBondContact CB-O 3.5Å; F16-P145 HydrophobicContact CE2-CG 4.33Å; F16-P145 HydrophobicContact CZ-CG 3.8Å; F16-H191 HydrophobicContact CD1-CB 3.89Å; F16-H191 HydrophobicContact CD2-CB 4.23Å; F16-H191 AromaticContact CD2-CD2 3.81Å; F16-H191 HydrophobicContact CE1-CB 3.59Å; F16-H191 AromaticContact CE1-CG 3.9Å; F16-H191 HydrophobicContact CE2-CB 3.96Å; F16-H191 AromaticContact CE2-CD2 3.18Å; F16-H191 WeakPolarHBondContact CE2-CD2 3.48Å; F16-H191 AromaticContact CE2-CG 3.57Å; F16-H191 AromaticContact CE2-NE2 3.76Å; F16-H191 HydrophobicContact CG-CB 4.18Å; F16-H191 HydrophobicContact CZ-CB 3.62Å; F16-H191 AromaticContact CZ-CD2 3.49Å; F16-H191 VanDerWaalsContact CZ-CD2 3.49Å; F16-H191 WeakPolarHBondContact CZ-CD2 3.46Å; F16-H191 AromaticContact CZ-CG 3.37Å; F16-H191 AromaticContact CZ-ND1 3.84Å; F16-H191 PolarHBondContact N-O 2.8Å; F16-H191 VanDerWaalsContact N-O 3.12Å; F16-H191 WeakPolarHBondContact O-CB 3.24Å; F16-H191 PolarHBondContact O-N 3.17Å
17F97.3Very high92.9Very high2 Ų235 Ų351%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-134.2153.6166.564.8-94000110.6F11 I141 L177 A181 I188 T189 L190 L194F11-F17 HydrophobicContact CE1-CD1 4.19Å; F11-F17 HydrophobicContact CE1-CE1 4.37Å; F11-F17 HydrophobicContact CZ-CD1 4.12Å; F11-F17 AromaticContact CZ-CE1 3.85Å; F11-F17 HydrophobicContact CZ-CE1 3.85Å; F17-I141 HydrophobicContact CD1-CB 4.09Å; F17-I141 HydrophobicContact CD1-CG2 4.33Å; F17-I141 HydrophobicContact CD2-CB 4.05Å; F17-I141 HydrophobicContact CD2-CG1 4.1Å; F17-I141 HydrophobicContact CE1-CB 3.68Å; F17-I141 HydrophobicContact CE1-CG1 4.36Å; F17-I141 HydrophobicContact CE1-CG2 3.55Å; F17-I141 HydrophobicContact CE2-CB 3.62Å; F17-I141 HydrophobicContact CE2-CG1 3.43Å; F17-I141 VanDerWaalsContact CE2-CG1 3.43Å; F17-I141 HydrophobicContact CE2-CG2 4.18Å; F17-I141 HydrophobicContact CG-CB 4.27Å; F17-I141 HydrophobicContact CZ-CB 3.43Å; F17-I141 VanDerWaalsContact CZ-CB 3.43Å; F17-I141 HydrophobicContact CZ-CG1 3.59Å; F17-I141 HydrophobicContact CZ-CG2 3.46Å; F17-I141 VanDerWaalsContact CZ-CG2 3.46Å; F17-I141 PolarHBondContact N-O 3.09Å; F17-I141 PolarHBondContact O-N 3.34Å; F17-L177 HydrophobicContact CE2-CB 4.25Å; F17-A181 HydrophobicContact CD1-CB 4.29Å; F17-A181 HydrophobicContact CD2-CB 4.03Å; F17-A181 HydrophobicContact CE1-CB 4.16Å; F17-A181 HydrophobicContact CE2-CB 3.92Å; F17-A181 HydrophobicContact CG-CB 4.2Å; F17-A181 HydrophobicContact CZ-CB 3.98Å; F17-I188 HydrophobicContact CB-CG2 4.34Å; F17-I188 HydrophobicContact CD2-CD1 4.02Å; F17-I188 HydrophobicContact CD2-CG2 4.4Å; F17-I188 HydrophobicContact CE2-CD1 4.3Å; F17-T189 VanDerWaalsContact CA-O 3.25Å; F17-T189 WeakPolarHBondContact CA-O 3.31Å; F17-T189 WeakPolarHBondContact CB-O 3.47Å; F17-L190 HydrophobicContact CB-CD2 3.59Å; F17-L190 HydrophobicContact CG-CD2 4.29Å; F17-L194 HydrophobicContact CD1-CD2 3.8Å; F17-L194 HydrophobicContact CE1-CD2 4.47Å
18C96.4Very high92.6Very high5 Ų534.3 Ų34.33%0.03418%0.184CC..EExtended strand (participates in β ladder)trans-127145.8174.662.60000111.7F138 F139 Y140 I188 T189C18-F138 HydrophobicContact CB-CB 4.22Å; C18-F138 HydrophobicContact CB-CD1 4.14Å; C18-F138 HydrophobicContact CB-CG 4.46Å; C18-F139 CarbonylContact C-O 3.13Å; C18-F139 WeakPolarHBondContact CA-O 3.48Å; C18-Y140 HydrophobicContact CB-CD1 3.79Å; C18-Y140 HydrophobicContact CB-CE1 3.93Å; C18-I188 WeakPolarHBondContact O-CA 3.26Å; C18-T189 PolarHBondContact N-O 2.97Å; C18-T189 PolarHBondContact O-N 3.38Å
19Y96.4Very high92.1Very high14 Ų1435.5 Ų35.56%0.05519%0.193CC..EExtended strand (participates in β ladder)trans-105.1129170.4-177-91.4000109.6L21 F138 F139 L175 L177 L180 K187 I188Y19-L21 HydrophobicContact CD1-CD2 3.69Å; Y19-L21 HydrophobicContact CD1-CG 4.2Å; Y19-L21 HydrophobicContact CE1-CD2 3.79Å; Y19-L21 PolarHBondContact O-N 3.3Å; Y19-F138 WeakPolarHBondContact O-CA 3.37Å; Y19-F139 PolarHBondContact N-O 3.06Å; Y19-F139 PolarHBondContact O-N 3.17Å; Y19-L175 HydrophobicContact CD1-CD1 4.19Å; Y19-L175 HydrophobicContact CE1-CD1 3.99Å; Y19-L175 HydrophobicContact CE1-CD2 4.23Å; Y19-L177 HydrophobicContact CD2-CD2 4.3Å; Y19-L177 HydrophobicContact CG-CD2 4Å; Y19-L180 HydrophobicContact CD2-CD1 4.34Å; Y19-L180 HydrophobicContact CE2-CD1 4.01Å; Y19-K187 WeakPolarHBondContact CA-O 2.99Å; Y19-K187 HydrophobicContact CD2-CB 3.92Å; Y19-K187 HydrophobicContact CE1-CD 4.33Å; Y19-K187 HydrophobicContact CE2-CB 3.57Å; Y19-K187 HydrophobicContact CE2-CD 3.91Å; Y19-K187 HydrophobicContact CE2-CG 4.41Å; Y19-K187 VanDerWaalsContact OH-CD 3.23Å; Y19-K187 WeakPolarHBondContact OH-CD 3.39Å; Y19-I188 HydrophobicContact CD2-CD1 3.66Å; Y19-I188 HydrophobicContact CD2-CG1 4.01Å; Y19-I188 HydrophobicContact CG-CD1 4.2Å
20D95.2Very high91.8Very high48 Ų4836.6 Ų36.626%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-78.3115.7179.4-172.6-11.1000111.5S22 F138 K187D20-S22 VanDerWaalsContact CG-OG 3.32Å; D20-S22 WeakPolarHBondContact OD1-CB 3.34Å; D20-S22 PolarHBondContact OD1-N 3.16Å; D20-S22 PolarHBondContact OD1-OG 2.87Å; D20-S22 PolarHBondContact OD2-OG 3.42Å; D20-F138 HydrophobicContact CB-CD1 4.4Å; D20-F138 HydrophobicContact CB-CE1 4.07Å; D20-K187 PolarHBondContact N-O 3.1Å
21L92.8Very high91.6Very high0 Ų037 Ų370%020%0.202CC..  trans-95-3.1178.8-64.4171.7000113.2Y19 L23 T24 P25 I26 T49 D137 F139 L175Y19-L21 HydrophobicContact CD1-CD2 3.69Å; Y19-L21 HydrophobicContact CD1-CG 4.2Å; Y19-L21 HydrophobicContact CE1-CD2 3.79Å; Y19-L21 PolarHBondContact O-N 3.3Å; L21-L23 PolarHBondContact O-N 2.58Å; L21-T24 CarbonylContact O-C 3.5Å; L21-T24 PolarHBondContact O-N 2.96Å; L21-P25 WeakPolarHBondContact O-CA 3.47Å; L21-P25 WeakPolarHBondContact O-CD 3.44Å; L21-I26 HydrophobicContact CD1-CD1 3.62Å; L21-I26 HydrophobicContact CD1-CG1 4.02Å; L21-I26 HydrophobicContact CD2-CD1 4.11Å; L21-I26 HydrophobicContact CD2-CG1 3.97Å; L21-T49 WeakPolarHBondContact CD1-OG1 3.29Å; L21-D137 WeakPolarHBondContact CB-O 3.44Å; L21-D137 PolarHBondContact N-O 2.05Å; L21-F139 HydrophobicContact CD1-CB 4.24Å; L21-F139 HydrophobicContact CD1-CD2 4.34Å; L21-L175 HydrophobicContact CD2-CD1 4.32Å
22S89.1Confident91.6Very high65 Ų6539.7 Ų39.746%0.45521%0.214SC..SBendtrans-59-34.5-174.864.10000113.5D20 D136D20-S22 VanDerWaalsContact CG-OG 3.32Å; D20-S22 WeakPolarHBondContact OD1-CB 3.34Å; D20-S22 PolarHBondContact OD1-N 3.16Å; D20-S22 PolarHBondContact OD1-OG 2.87Å; D20-S22 PolarHBondContact OD2-OG 3.42Å; S22-D136 VanDerWaalsContact CA-O 3.26Å; S22-D136 WeakPolarHBondContact CA-O 2.91Å; S22-D136 PolarHBondContact N-O 2.95Å
23L84.1Confident91.8Very high131 Ų13135.9 Ų35.969%0.68620%0.198SC*.SBendtrans-85.3-26.2178.6-63.2176.9000113.3L21L21-L23 PolarHBondContact O-N 2.58Å
24T86.9Confident92.1Very high55 Ų5537.5 Ų37.534%0.33721%0.208SC..SBendtrans-139.576.4-178.446.60000109.4L21 K187L21-T24 CarbonylContact O-C 3.5Å; L21-T24 PolarHBondContact O-N 2.96Å; T24-K187 PolarHBondContact OG1-NZ 3.22Å; T24-K187 VanDerWaalsContact OG1-NZ 3.12Å
25P89.6Confident92.4Very high55 Ų5534.8 Ų34.836%0.35719%0.193SC..  trans-61.9146.1-176.9-25.535.9000112.2L21 Q27 S135 D136L21-P25 WeakPolarHBondContact O-CA 3.47Å; L21-P25 WeakPolarHBondContact O-CD 3.44Å; P25-Q27 PolarHBondContact O-N 2.84Å; P25-S135 CarbonylContact C-O 3.26Å; P25-S135 WeakPolarHBondContact CA-O 3.42Å; P25-D136 HydrophobicContact CB-CB 3.92Å; P25-D136 HydrophobicContact CG-CB 3.98Å
26I89.2Confident92.5Very high0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-72.6121.4166.9-66.9169.5000108L21 T49 L133 G134 S135 F139 Y168 F173L21-I26 HydrophobicContact CD1-CD1 3.62Å; L21-I26 HydrophobicContact CD1-CG1 4.02Å; L21-I26 HydrophobicContact CD2-CD1 4.11Å; L21-I26 HydrophobicContact CD2-CG1 3.97Å; I26-T49 HydrophobicContact CD1-CG2 4.39Å; I26-L133 HydrophobicContact CG2-CD2 4.24Å; I26-L133 HydrophobicContact CG2-CG 4.4Å; I26-G134 CarbonylContact O-C 3.5Å; I26-G134 WeakPolarHBondContact O-CA 3.21Å; I26-S135 PolarHBondContact N-O 2.66Å; I26-S135 PolarHBondContact O-N 2.97Å; I26-F139 HydrophobicContact CD1-CD2 3.85Å; I26-F139 HydrophobicContact CD1-CE2 3.89Å; I26-Y168 HydrophobicContact CD1-CD1 4.38Å; I26-Y168 HydrophobicContact CD1-CE1 3.97Å; I26-Y168 HydrophobicContact CD1-CE2 4.41Å; I26-Y168 HydrophobicContact CG1-CE1 4.07Å; I26-Y168 HydrophobicContact CG2-CE1 4.34Å; I26-Y168 WeakPolarHBondContact CG2-OH 3.36Å; I26-F173 HydrophobicContact CG1-CE2 4.42Å; I26-F173 HydrophobicContact CG1-CZ 3.91Å
27Q87.9Confident92.5Very high143 Ų14333.9 Ų33.967%0.66819%0.19SC*.EExtended strand (participates in β ladder)trans-130.7100.3165-68.1-176.3-19.300106.9P25 L133P25-Q27 PolarHBondContact O-N 2.84Å; Q27-L133 WeakPolarHBondContact CA-O 3.45Å
28S87.5Confident92.5Very high3 Ų336.1 Ų36.12%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-132.2130.8-168.3178.50000111.4T30 D31 R99 M132 L133 Y168S28-T30 VanDerWaalsContact OG-C 3.26Å; S28-T30 PolarHBondContact OG-N 2.93Å; S28-T30 PolarHBondContact OG-O 3.44Å; S28-D31 VanDerWaalsContact CB-OD2 3.27Å; S28-D31 WeakPolarHBondContact CB-OD2 3.47Å; S28-D31 WeakPolarHBondContact OG-CB 3.23Å; S28-D31 PolarHBondContact OG-OD2 3.46Å; S28-R99 PolarHBondContact O-NH2 2.99Å; S28-M132 CarbonylContact O-C 3.48Å; S28-M132 VanDerWaalsContact O-CA 3.28Å; S28-M132 WeakPolarHBondContact O-CA 3.2Å; S28-L133 PolarHBondContact N-O 3.23Å; S28-L133 PolarHBondContact O-N 2.89Å; S28-Y168 WeakPolarHBondContact CB-OH 3.29Å
29S85.4Confident92.4Very high42 Ų4236 Ų3629%0.29420%0.197SC..SBendtrans-99.2-15.9166.257.70000112.9
30T88.5Confident92.2Very high26 Ų2638.5 Ų38.516%0.1621%0.211CC..SBendtrans-144.8124.4175.859.50000109.6S28 R99 L101 N170 N171S28-T30 VanDerWaalsContact OG-C 3.26Å; S28-T30 PolarHBondContact OG-N 2.93Å; S28-T30 PolarHBondContact OG-O 3.44Å; T30-R99 CarbonylContact C-O 3.51Å; T30-R99 VanDerWaalsContact CA-O 3.23Å; T30-R99 WeakPolarHBondContact CA-O 3.29Å; T30-L101 HydrophobicContact CG2-CB 4.36Å; T30-N170 WeakPolarHBondContact O-CA 3.36Å; T30-N170 WeakPolarHBondContact O-CB 3.48Å; T30-N171 VanDerWaalsContact OG1-CG 3.27Å; T30-N171 PolarHBondContact OG1-ND2 3.24Å; T30-N171 PolarHBondContact OG1-OD1 3.06Å
31D92.9Very high92Very high11 Ų1137.1 Ų37.16%0.05920%0.203CC..EExtended strand (participates in β ladder)trans-142.1159.1178.636.451.5000113S28 R99 Y168 K169 N170S28-D31 VanDerWaalsContact CB-OD2 3.27Å; S28-D31 WeakPolarHBondContact CB-OD2 3.47Å; S28-D31 WeakPolarHBondContact OG-CB 3.23Å; S28-D31 PolarHBondContact OG-OD2 3.46Å; D31-R99 PolarHBondContact N-O 2.9Å; D31-R99 PolarHBondContact O-N 2.84Å; D31-R99 WeakPolarHBondContact OD1-CB 3.4Å; D31-R99 IonicContact OD1-CZ 2.81Å; D31-R99 IonicContact OD1-NE 2.74Å; D31-R99 PolarHBondContact OD1-NE 2.89Å; D31-R99 IonicContact OD1-NH2 2.9Å; D31-R99 IonicContact OD2-CZ 3.22Å; D31-R99 IonicContact OD2-NE 3.61Å; D31-R99 PolarHBondContact OD2-NE 2.97Å; D31-R99 IonicContact OD2-NH2 2.73Å; D31-R99 PolarHBondContact OD2-NH2 3.1Å; D31-Y168 HydrophobicContact CB-CE2 3.76Å; D31-Y168 PolarHBondContact OD2-OH 2.98Å; D31-K169 CarbonylContact C-O 3.6Å; D31-K169 WeakPolarHBondContact CA-O 3.18Å; D31-K169 WeakPolarHBondContact CB-O 3.33Å; D31-N170 HydrophobicContact CB-CB 4.35Å
32E95.9Very high91.8Very high57 Ų5742.6 Ų42.627%0.26622%0.224SC..EExtended strand (participates in β ladder)trans-131.2131.3176.3-179.4179178.200109T34 R96 V97 T98 K169E32-T34 HydrophobicContact CG-CG2 4.19Å; E32-R96 IonicContact OE1-NE 3.19Å; E32-V97 CarbonylContact C-O 3.6Å; E32-V97 VanDerWaalsContact CA-O 3.3Å; E32-V97 WeakPolarHBondContact CA-O 3.35Å; E32-T98 HydrophobicContact CG-CG2 4.09Å; E32-K169 PolarHBondContact N-O 3.05Å; E32-K169 PolarHBondContact O-N 3.08Å
33I97.4Very high92Very high7 Ų740.3 Ų40.34%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-118.6128.6172.6-58.5175.1000107.6L47 V56 R96 V97 V167 Y168I33-L47 HydrophobicContact CD1-CD1 4.45Å; I33-L47 HydrophobicContact CG2-CD2 3.73Å; I33-V56 HydrophobicContact CD1-CG1 3.81Å; I33-R96 CarbonylContact O-C 3.59Å; I33-R96 WeakPolarHBondContact O-CA 3.48Å; I33-V97 HydrophobicContact CB-CB 4.22Å; I33-V97 PolarHBondContact N-O 2.82Å; I33-V97 PolarHBondContact O-N 2.59Å; I33-V167 WeakPolarHBondContact CA-O 3.49Å; I33-Y168 HydrophobicContact CD1-CD2 4.28Å; I33-Y168 HydrophobicContact CG1-CD2 3.86Å
34T97.6Very high92.5Very high34 Ų3434.1 Ų34.121%0.20918%0.175CC..EExtended strand (participates in β ladder)trans-128.3140.4171.659.50000110E32 V95 R96 V166 V167E32-T34 HydrophobicContact CG-CG2 4.19Å; T34-V95 WeakPolarHBondContact CA-O 3.4Å; T34-R96 HydrophobicContact CG2-CB 4.27Å; T34-R96 HydrophobicContact CG2-CG 4.02Å; T34-V166 CarbonylContact O-C 3.49Å; T34-V166 WeakPolarHBondContact O-CA 3.1Å; T34-V167 PolarHBondContact N-O 3.26Å; T34-V167 PolarHBondContact O-N 3.44Å
35L97.7Very high93Very high6 Ų631.5 Ų31.53%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-156162.7167.46384.6000109.5F37 M46 L47 L58 V95 L163 V166L35-F37 HydrophobicContact CD1-CB 4.15Å; L35-F37 HydrophobicContact CD1-CD1 4.08Å; L35-M46 HydrophobicContact CD1-SD 4.04Å; L35-M46 HydrophobicContact CD2-CB 4.28Å; L35-L47 HydrophobicContact CD2-CD2 3.61Å; L35-L47 HydrophobicContact CD2-CG 4.35Å; L35-L58 HydrophobicContact CD2-CD2 3.76Å; L35-L58 HydrophobicContact CG-CD2 4.42Å; L35-V95 HydrophobicContact CD1-CB 4.03Å; L35-V95 HydrophobicContact CD1-CG2 4.03Å; L35-V95 HydrophobicContact CG-CB 4.23Å; L35-V95 PolarHBondContact N-O 2.96Å; L35-V95 PolarHBondContact O-N 3.04Å; L35-L163 HydrophobicContact CD1-CD2 4.43Å; L35-V166 HydrophobicContact CB-CB 4.36Å; L35-V166 HydrophobicContact CB-CG1 4.49Å; L35-V166 HydrophobicContact CB-CG2 3.88Å
36S97.8Very high93.4Very high8 Ų828.9 Ų28.96%0.05614%0.142CC..EExtended strand (participates in β ladder)trans-117145.1159.9-33.30000110.1H93 D94 L163 K164S36-H93 CarbonylContact C-O 3.56Å; S36-H93 WeakPolarHBondContact CA-O 3.48Å; S36-H93 WeakPolarHBondContact CB-O 3.14Å; S36-D94 VanDerWaalsContact CB-OD1 3.27Å; S36-D94 WeakPolarHBondContact CB-OD1 3.39Å; S36-D94 PolarHBondContact OG-OD1 3.42Å; S36-L163 WeakPolarHBondContact O-CA 3.03Å; S36-K164 PolarHBondContact N-O 3.27Å; S36-K164 PolarHBondContact O-N 2.98Å
37F97.6Very high93.8Very high0 Ų029 Ų290%014%0.142CC..EExtended strand (participates in β ladder)trans-126.5151.7178.173.2-90.2000111.7L35 T39 M46 L60 V65 F87 W92 H93 V95 F159 C162 L163L35-F37 HydrophobicContact CD1-CB 4.15Å; L35-F37 HydrophobicContact CD1-CD1 4.08Å; F37-T39 HydrophobicContact CD2-CG2 4.02Å; F37-T39 HydrophobicContact CE2-CG2 4.26Å; F37-M46 HydrophobicContact CB-CE 4.26Å; F37-M46 HydrophobicContact CB-SD 4.32Å; F37-M46 HydrophobicContact CD1-CE 3.57Å; F37-M46 HydrophobicContact CD1-SD 3.89Å; F37-M46 HydrophobicContact CD2-CE 3.82Å; F37-M46 HydrophobicContact CE1-CE 3.75Å; F37-M46 HydrophobicContact CE1-SD 4.44Å; F37-M46 HydrophobicContact CE2-CE 3.99Å; F37-M46 HydrophobicContact CG-CE 3.61Å; F37-M46 HydrophobicContact CG-SD 4.13Å; F37-M46 HydrophobicContact CZ-CE 3.95Å; F37-L60 HydrophobicContact CE2-CD1 4.28Å; F37-L60 HydrophobicContact CZ-CD1 4.31Å; F37-V65 HydrophobicContact CE1-CG2 3.91Å; F37-V65 HydrophobicContact CZ-CG2 3.87Å; F37-F87 HydrophobicContact CE2-CB 4.07Å; F37-F87 WeakPolarHBondContact CE2-O 3.34Å; F37-F87 HydrophobicContact CZ-CB 3.89Å; F37-F87 HydrophobicContact CZ-CD1 4.49Å; F37-F87 HydrophobicContact CZ-CG 4.25Å; F37-W92 WeakPolarHBondContact O-CA 3.37Å; F37-H93 HydrophobicContact CD1-CB 4.12Å; F37-H93 HydrophobicContact CE1-CB 3.6Å; F37-H93 HydrophobicContact CE2-CB 4.17Å; F37-H93 HydrophobicContact CZ-CB 3.63Å; F37-H93 PolarHBondContact N-O 3.35Å; F37-H93 PolarHBondContact O-N 2.9Å; F37-V95 HydrophobicContact CD1-CG2 3.63Å; F37-V95 HydrophobicContact CE1-CG2 3.46Å; F37-V95 VanDerWaalsContact CE1-CG2 3.46Å; F37-F159 HydrophobicContact CB-CZ 3.96Å; F37-F159 HydrophobicContact CD2-CZ 4.47Å; F37-C162 CarbonylContact C-O 3.56Å; F37-C162 WeakPolarHBondContact CA-O 3.44Å; F37-L163 HydrophobicContact CB-CD2 3.56Å
38R96.3Very high94.2Very high48 Ų4822.1 Ų22.118%0.18111%0.11CC..EExtended strand (participates in β ladder)trans-139.2119.3174177.8179.9-178.4-139.7-7.7108.9N90 A91 W92 G161 C162 D200R38-N90 WeakPolarHBondContact CG-O 3.42Å; R38-N90 WeakPolarHBondContact CG-OD1 3.21Å; R38-N90 PolarHBondContact NE-O 3.36Å; R38-N90 PolarHBondContact NE-OD1 3.49Å; R38-N90 PolarHBondContact NH2-ND2 2.87Å; R38-A91 WeakPolarHBondContact CA-O 3.5Å; R38-W92 HydrophobicContact CB-CD2 3.9Å; R38-W92 HydrophobicContact CB-CE3 3.81Å; R38-W92 HydrophobicContact CB-CG 4.48Å; R38-W92 HydrophobicContact CB-CH2 4.31Å; R38-W92 HydrophobicContact CB-CZ2 4.4Å; R38-W92 HydrophobicContact CB-CZ3 4.01Å; R38-G161 CarbonylContact O-C 3.6Å; R38-G161 WeakPolarHBondContact O-CA 3.32Å; R38-C162 HydrophobicContact CB-CB 4.32Å; R38-C162 PolarHBondContact N-O 2.95Å; R38-C162 PolarHBondContact O-N 3.07Å; R38-D200 IonicContact CZ-OD1 2.83Å; R38-D200 IonicContact NH1-OD1 2.68Å; R38-D200 PolarHBondContact NH1-OD1 2.62Å; R38-D200 VanDerWaalsContact NH1-OD1 3.17Å; R38-D200 IonicContact NH2-OD1 3.32Å; R38-D200 PolarHBondContact NH2-OD1 3Å
39T95.3Very high94.6Very high2 Ų222 Ų221%0.01211%0.109CC..  trans-155155.8-175.8-174.10000113.3F37 Q41 L60 N88 N90 F159 M160F37-T39 HydrophobicContact CD2-CG2 4.02Å; F37-T39 HydrophobicContact CE2-CG2 4.26Å; T39-Q41 PolarHBondContact OG1-N 3.02Å; T39-L60 HydrophobicContact CG2-CD2 3.81Å; T39-N88 HydrophobicContact CG2-CB 4.41Å; T39-N88 CarbonylContact O-C 3.58Å; T39-N88 WeakPolarHBondContact O-CA 3.15Å; T39-N90 WeakPolarHBondContact O-CA 3.34Å; T39-N90 PolarHBondContact O-N 3.46Å; T39-F159 HydrophobicContact CG2-CE2 4.18Å; T39-F159 HydrophobicContact CG2-CZ 4.11Å; T39-M160 WeakPolarHBondContact CB-O 3.27Å; T39-M160 PolarHBondContact OG1-O 2.86Å
40L91.6Very high94.8Very high68 Ų6820.2 Ų20.236%0.35610%0.097SC..SBendtrans-98.6-17.1165.1-74.1169.1000112.6N88 N90 A203L40-N88 PolarHBondContact O-ND2 3.06Å; L40-N90 HydrophobicContact CD2-CB 3.73Å; L40-N90 HydrophobicContact CG-CB 3.88Å; L40-A203 HydrophobicContact CD1-CB 4.26Å
41Q91.1Very high94.6Very high18 Ų1824.4 Ų24.48%0.08411%0.113CC..  trans-75.3146.6-176.2-74.3-59.4-26.800111.4T39 L60 N88 M160 D371T39-Q41 PolarHBondContact OG1-N 3.02Å; Q41-L60 WeakPolarHBondContact O-CD2 3.3Å; Q41-N88 WeakPolarHBondContact O-CB 3.23Å; Q41-M160 HydrophobicContact CG-CB 3.73Å; Q41-M160 HydrophobicContact CG-CG 4.2Å; Q41-M160 HydrophobicContact CG-SD 4.11Å; Q41-D371 PolarHBondContact NE2-OD1 2.84Å
42R89.5Confident94.1Very high116 Ų11629 Ų2944%0.43815%0.147SC..SBendtrans-86.2-23177.9-65.4179.9-174.4-174.51.5112.9K61 S62 G63 N88R42-K61 CarbonylContact O-C 3.52Å; R42-S62 PolarHBondContact O-N 3.41Å; R42-S62 VanDerWaalsContact O-N 3.11Å; R42-G63 PolarHBondContact O-N 2.95Å; R42-N88 WeakPolarHBondContact CG-ND2 3.3Å
43N91.6Very high93.7Very high17 Ų1728.3 Ų28.39%0.09115%0.15CC..  trans-129.6139.3-176.5-58.3-53.3000109.6L60 S62 V155 N157 H302N43-L60 CarbonylContact C-O 3.57Å; N43-L60 VanDerWaalsContact CA-O 3.24Å; N43-L60 WeakPolarHBondContact CA-O 3.14Å; N43-S62 PolarHBondContact OD1-N 3.2Å; N43-V155 HydrophobicContact CB-CG1 4.23Å; N43-N157 HydrophobicContact CB-CB 4.38Å; N43-H302 PolarHBondContact ND2-CE1 3.19Å; N43-H302 PolarHBondContact ND2-NE2 3.49Å
44G94.8Very high93.4Very high1 Ų130.3 Ų30.31%0.0116%0.161CC..EExtended strand (participates in β ladder)trans170.9138.417500000113.3M46 S59 L60 N157G44-M46 PolarHBondContact O-N 3.01Å; G44-S59 WeakPolarHBondContact O-CA 3.39Å; G44-S59 WeakPolarHBondContact O-CB 3.27Å; G44-L60 PolarHBondContact N-O 2.79Å; G44-L60 PolarHBondContact O-N 2.95Å; G44-N157 WeakPolarHBondContact CA-O 3.46Å
45L97.4Very high93.2Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-74.3116.3175.7-178.570.2000111.7H48 N57 G142 T147 L150 N157 F159L45-H48 HydrophobicContact CD1-CB 4.19Å; L45-H48 HydrophobicContact CD2-CB 4.3Å; L45-N57 WeakPolarHBondContact CD1-ND2 3.19Å; L45-G142 CarbonylContact O-C 3.59Å; L45-G142 VanDerWaalsContact O-C 3.26Å; L45-G142 WeakPolarHBondContact O-CA 3.42Å; L45-T147 HydrophobicContact CB-CG2 3.83Å; L45-T147 HydrophobicContact CD1-CG2 4.5Å; L45-T147 HydrophobicContact CD2-CG2 4.04Å; L45-T147 HydrophobicContact CG-CG2 4.34Å; L45-L150 HydrophobicContact CD2-CD1 3.52Å; L45-N157 PolarHBondContact N-O 2.84Å; L45-F159 WeakPolarHBondContact O-CB 3.5Å
46M97.9Very high93.1Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-82.1-49174.3-58.5179.8-171.500110.9L35 F37 G44 L58 L60 G142 F159 L163L35-M46 HydrophobicContact CD1-SD 4.04Å; L35-M46 HydrophobicContact CD2-CB 4.28Å; F37-M46 HydrophobicContact CB-CE 4.26Å; F37-M46 HydrophobicContact CB-SD 4.32Å; F37-M46 HydrophobicContact CD1-CE 3.57Å; F37-M46 HydrophobicContact CD1-SD 3.89Å; F37-M46 HydrophobicContact CD2-CE 3.82Å; F37-M46 HydrophobicContact CE1-CE 3.75Å; F37-M46 HydrophobicContact CE1-SD 4.44Å; F37-M46 HydrophobicContact CE2-CE 3.99Å; F37-M46 HydrophobicContact CG-CE 3.61Å; F37-M46 HydrophobicContact CG-SD 4.13Å; F37-M46 HydrophobicContact CZ-CE 3.95Å; G44-M46 PolarHBondContact O-N 3.01Å; M46-L58 WeakPolarHBondContact CB-O 3.38Å; M46-L58 PolarHBondContact N-O 3.16Å; M46-L58 HydrophobicContact SD-CG 4.32Å; M46-L60 HydrophobicContact CE-CB 3.95Å; M46-L60 HydrophobicContact CE-CD1 4.09Å; M46-G142 PolarHBondContact O-N 2.63Å; M46-F159 HydrophobicContact CE-CE2 4.34Å; M46-F159 HydrophobicContact CG-CD2 4.14Å; M46-F159 HydrophobicContact CG-CE2 4.05Å; M46-L163 HydrophobicContact CB-CD2 4.46Å; M46-L163 HydrophobicContact CG-CD2 4.38Å
47L97.5Very high93Very high1 Ų129.2 Ų29.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-155.9156.717559.179.3000113.7I33 L35 V56 L58 F139 Y140 I141 V166I33-L47 HydrophobicContact CD1-CD1 4.45Å; I33-L47 HydrophobicContact CG2-CD2 3.73Å; L35-L47 HydrophobicContact CD2-CD2 3.61Å; L35-L47 HydrophobicContact CD2-CG 4.35Å; L47-V56 HydrophobicContact CD1-CG1 4.47Å; L47-L58 HydrophobicContact CD1-CB 3.71Å; L47-L58 HydrophobicContact CD2-CD2 4.43Å; L47-L58 HydrophobicContact CG-CB 3.93Å; L47-L58 HydrophobicContact CG-CD2 4.36Å; L47-L58 PolarHBondContact N-O 2.8Å; L47-L58 PolarHBondContact O-N 3.24Å; L47-F139 HydrophobicContact CB-CE1 4.2Å; L47-F139 HydrophobicContact CD1-CE1 4.24Å; L47-F139 HydrophobicContact CD2-CE1 4.42Å; L47-Y140 CarbonylContact C-O 3.57Å; L47-Y140 WeakPolarHBondContact CA-O 3.42Å; L47-Y140 WeakPolarHBondContact CB-O 3.13Å; L47-I141 HydrophobicContact CB-CD1 3.49Å; L47-I141 VanDerWaalsContact CB-CD1 3.49Å; L47-I141 HydrophobicContact CD2-CD1 4.3Å; L47-V166 HydrophobicContact CD2-CG1 4.14Å
48H97.3Very high93Very high0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-151.9142.2172.2-178.379.7000112L45 V56 F139 Y140 L150 P151L45-H48 HydrophobicContact CD1-CB 4.19Å; L45-H48 HydrophobicContact CD2-CB 4.3Å; H48-V56 VanDerWaalsContact CA-O 3.29Å; H48-V56 WeakPolarHBondContact CA-O 3.43Å; H48-V56 PolarHBondContact ND1-O 2.56Å; H48-F139 CarbonylContact O-C 3.59Å; H48-Y140 PolarHBondContact N-O 2.9Å; H48-Y140 PolarHBondContact O-N 2.86Å; H48-L150 HydrophobicContact CB-CD1 3.82Å; H48-P151 PolarHBondContact CE1-O 2.02Å; H48-P151 VanDerWaalsContact CE1-O 3.25Å
49T95.2Very high93Very high1 Ų127 Ų271%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-145.2143.4167.2-166.80000109.1L21 I26 Y55 V56 S135 F138 F139L21-T49 WeakPolarHBondContact CD1-OG1 3.29Å; I26-T49 HydrophobicContact CD1-CG2 4.39Å; T49-Y55 CarbonylContact O-C 3.59Å; T49-Y55 WeakPolarHBondContact O-CA 3.43Å; T49-Y55 WeakPolarHBondContact O-CB 3.37Å; T49-V56 HydrophobicContact CG2-CB 4.34Å; T49-V56 PolarHBondContact N-O 2.67Å; T49-V56 PolarHBondContact O-N 2.78Å; T49-S135 PolarHBondContact OG1-OG 2.87Å; T49-F138 PolarHBondContact OG1-O 3.48Å; T49-F139 HydrophobicContact CG2-CD2 4.08Å; T49-F139 HydrophobicContact CG2-CE1 4.36Å; T49-F139 HydrophobicContact CG2-CE2 3.82Å; T49-F139 HydrophobicContact CG2-CG 4.45Å; T49-F139 HydrophobicContact CG2-CZ 3.97Å
50G90.8Very high93Very high4 Ų426.9 Ų26.94%0.04114%0.143CC..EExtended strand (participates in β ladder)trans125166177.900000114.7D54 S135G50-D54 CarbonylContact C-O 3.58Å; G50-D54 WeakPolarHBondContact CA-O 3.32Å; G50-S135 WeakPolarHBondContact CA-OG 3.48Å; G50-S135 PolarHBondContact N-OG 2.76Å; G50-S135 VanDerWaalsContact N-OG 3.17Å
51K82.9Confident92.9Very high113 Ų11326.4 Ų26.449%0.49114%0.138SC..EExtended strand (participates in β ladder)trans-141.2153.2174.5-86.1-176.8170.3155.60109.1A53 D54 D137K51-A53 PolarHBondContact O-N 2.93Å; K51-A53 VanDerWaalsContact O-N 3.13Å; K51-D54 PolarHBondContact N-O 2.91Å; K51-D54 VanDerWaalsContact N-O 3.13Å; K51-D54 PolarHBondContact O-N 2.86Å; K51-D137 HydrophobicContact CD-CB 3.9Å; K51-D137 WeakPolarHBondContact CE-OD1 3.36Å; K51-D137 WeakPolarHBondContact CE-OD2 2.99Å; K51-D137 HydrophobicContact CG-CB 4.2Å; K51-D137 IonicContact NZ-OD1 3.06Å; K51-D137 PolarHBondContact NZ-OD1 2.96Å; K51-D137 IonicContact NZ-OD2 3.8Å; K51-D137 PolarHBondContact NZ-OD2 2.93Å
52S83.6Confident92.7Very high109 Ų10928.5 Ų28.576%0.76216%0.155SC*.THydrogen-bonded Turntrans59.1-111.6176.4-54.20000112.8
53A86.5Confident92.7Very high41 Ų4123.3 Ų23.334%0.33914%0.137SC..THydrogen-bonded Turntrans-102.5-6.6-173.500000113.9K51 N70 G72K51-A53 PolarHBondContact O-N 2.93Å; K51-A53 VanDerWaalsContact O-N 3.13Å; A53-N70 CarbonylContact O-C 3.18Å; A53-N70 VanDerWaalsContact O-CB 3.25Å; A53-N70 WeakPolarHBondContact O-CB 3.36Å; A53-N70 PolarHBondContact O-ND2 3.07Å; A53-N70 PolarHBondContact O-OD1 3.24Å; A53-G72 PolarHBondContact O-N 2.98Å
54D91.1Very high92.7Very high50 Ų5022.8 Ų22.827%0.26714%0.135SC..EExtended strand (participates in β ladder)trans-112109.7178.1-67.4-35.4000109.5G50 K51 N70 L71 G72 G134G50-D54 CarbonylContact C-O 3.58Å; G50-D54 WeakPolarHBondContact CA-O 3.32Å; K51-D54 PolarHBondContact N-O 2.91Å; K51-D54 VanDerWaalsContact N-O 3.13Å; K51-D54 PolarHBondContact O-N 2.86Å; D54-N70 WeakPolarHBondContact CA-O 3.2Å; D54-L71 WeakPolarHBondContact OD1-CA 3.5Å; D54-G72 WeakPolarHBondContact OD1-CA 3.38Å; D54-G72 PolarHBondContact OD1-N 3.19Å; D54-G134 VanDerWaalsContact CB-O 3.27Å; D54-G134 WeakPolarHBondContact CB-O 3.45Å
55Y93.6Very high92.7Very high23 Ų2322.7 Ų22.79%0.0913%0.134CC..EExtended strand (participates in β ladder)trans-160.8158.2-178.956.8-97.4000113.8T49 V68 I69 N70 P151T49-Y55 CarbonylContact O-C 3.59Å; T49-Y55 WeakPolarHBondContact O-CA 3.43Å; T49-Y55 WeakPolarHBondContact O-CB 3.37Å; Y55-V68 HydrophobicContact CE2-CB 4.42Å; Y55-V68 HydrophobicContact CE2-CG1 3.76Å; Y55-I69 WeakPolarHBondContact O-CA 3.23Å; Y55-N70 HydrophobicContact CD1-CB 4.01Å; Y55-N70 HydrophobicContact CD2-CB 4.24Å; Y55-N70 HydrophobicContact CE1-CB 3.57Å; Y55-N70 HydrophobicContact CE2-CB 3.79Å; Y55-N70 HydrophobicContact CG-CB 4.34Å; Y55-N70 VanDerWaalsContact CZ-CB 3.46Å; Y55-N70 PolarHBondContact N-O 3.03Å; Y55-N70 PolarHBondContact O-N 2.95Å; Y55-P151 HydrophobicContact CD1-CB 3.62Å; Y55-P151 HydrophobicContact CD1-CG 3.75Å; Y55-P151 WeakPolarHBondContact CD2-O 3.3Å; Y55-P151 HydrophobicContact CE1-CB 3.69Å; Y55-P151 HydrophobicContact CE1-CG 4.34Å; Y55-P151 HydrophobicContact CG-CB 4.21Å; Y55-P151 HydrophobicContact CG-CG 4.04Å
56V95.2Very high92.5Very high1 Ų124.9 Ų24.91%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-125128.4166.2178.60000108I33 L47 H48 T49 L67 V68 I69 L133I33-V56 HydrophobicContact CD1-CG1 3.81Å; L47-V56 HydrophobicContact CD1-CG1 4.47Å; H48-V56 VanDerWaalsContact CA-O 3.29Å; H48-V56 WeakPolarHBondContact CA-O 3.43Å; H48-V56 PolarHBondContact ND1-O 2.56Å; T49-V56 HydrophobicContact CG2-CB 4.34Å; T49-V56 PolarHBondContact N-O 2.67Å; T49-V56 PolarHBondContact O-N 2.78Å; V56-L67 HydrophobicContact CG1-CD1 4.26Å; V56-V68 CarbonylContact C-O 3.57Å; V56-V68 WeakPolarHBondContact CA-O 3.35Å; V56-I69 HydrophobicContact CG1-CG1 4.17Å; V56-I69 HydrophobicContact CG2-CD1 4.49Å; V56-I69 HydrophobicContact CG2-CG1 4.18Å; V56-I69 HydrophobicContact CG2-CG2 4.24Å; V56-L133 HydrophobicContact CG2-CD1 3.99Å; V56-L133 HydrophobicContact CG2-CD2 3.56Å; V56-L133 HydrophobicContact CG2-CG 4.44Å
57N96.6Very high92.4Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-125.7128.8173.8-175.6-76.4000109.1L45 S59 L67 V68 S153 P154L45-N57 WeakPolarHBondContact CD1-ND2 3.19Å; N57-S59 PolarHBondContact OD1-OG 3.16Å; N57-L67 WeakPolarHBondContact O-CA 3.25Å; N57-V68 HydrophobicContact CB-CB 4.31Å; N57-V68 PolarHBondContact N-O 2.96Å; N57-V68 PolarHBondContact O-N 2.93Å; N57-S153 WeakPolarHBondContact ND2-CA 3.42Å; N57-S153 WeakPolarHBondContact ND2-CB 3.17Å; N57-S153 PolarHBondContact ND2-OG 3.09Å; N57-P154 WeakPolarHBondContact OD1-CD 3.27Å
58L97.6Very high92.3Very high1 Ų124.9 Ų24.91%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-127.1121.3171.7-178.966000108.5L35 M46 L47 V65 L67 V95 I114L35-L58 HydrophobicContact CD2-CD2 3.76Å; L35-L58 HydrophobicContact CG-CD2 4.42Å; M46-L58 WeakPolarHBondContact CB-O 3.38Å; M46-L58 PolarHBondContact N-O 3.16Å; M46-L58 HydrophobicContact SD-CG 4.32Å; L47-L58 HydrophobicContact CD1-CB 3.71Å; L47-L58 HydrophobicContact CD2-CD2 4.43Å; L47-L58 HydrophobicContact CG-CB 3.93Å; L47-L58 HydrophobicContact CG-CD2 4.36Å; L47-L58 PolarHBondContact N-O 2.8Å; L47-L58 PolarHBondContact O-N 3.24Å; L58-V65 HydrophobicContact CD1-CG1 3.67Å; L58-L67 HydrophobicContact CD1-CB 4.24Å; L58-L67 HydrophobicContact CD1-CD1 4.3Å; L58-V95 HydrophobicContact CD1-CG1 4.36Å; L58-V95 HydrophobicContact CD2-CG1 3.91Å; L58-I114 HydrophobicContact CD1-CD1 4.04Å
59S96.6Very high92Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-143.6161.6-174.749.40000111.4G44 N57 W66 P154G44-S59 WeakPolarHBondContact O-CA 3.39Å; G44-S59 WeakPolarHBondContact O-CB 3.27Å; N57-S59 PolarHBondContact OD1-OG 3.16Å; S59-W66 PolarHBondContact N-O 2.83Å; S59-W66 PolarHBondContact O-N 3.05Å; S59-P154 WeakPolarHBondContact OG-CD 3.48Å; S59-P154 WeakPolarHBondContact OG-CG 3.43Å
60L94.5Very high91.8Very high1 Ų125.8 Ų25.81%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-92.6130.3163.1-159.173.9000108F37 T39 Q41 N43 G44 M46 A64 V65 F87 N88 V155F37-L60 HydrophobicContact CE2-CD1 4.28Å; F37-L60 HydrophobicContact CZ-CD1 4.31Å; T39-L60 HydrophobicContact CG2-CD2 3.81Å; Q41-L60 WeakPolarHBondContact O-CD2 3.3Å; N43-L60 CarbonylContact C-O 3.57Å; N43-L60 VanDerWaalsContact CA-O 3.24Å; N43-L60 WeakPolarHBondContact CA-O 3.14Å; G44-L60 PolarHBondContact N-O 2.79Å; G44-L60 PolarHBondContact O-N 2.95Å; M46-L60 HydrophobicContact CE-CB 3.95Å; M46-L60 HydrophobicContact CE-CD1 4.09Å; L60-A64 CarbonylContact C-O 3.58Å; L60-A64 WeakPolarHBondContact CA-O 3.48Å; L60-A64 WeakPolarHBondContact CD1-O 3.2Å; L60-V65 HydrophobicContact CD1-CG2 4.05Å; L60-F87 HydrophobicContact CD1-CB 4.2Å; L60-N88 HydrophobicContact CD2-CB 4.28Å; L60-V155 WeakPolarHBondContact O-CG1 3.36Å
61K90.3Very high91.7Very high57 Ų5725.7 Ų25.725%0.24815%0.146CC..EExtended strand (participates in β ladder)trans-133.1121.5177.8-172.9-166.4-164172.30109.4R42 G63 A64 W66 P154 V155R42-K61 CarbonylContact O-C 3.52Å; K61-G63 PolarHBondContact O-N 2.71Å; K61-G63 VanDerWaalsContact O-N 3.09Å; K61-A64 PolarHBondContact N-O 2.97Å; K61-A64 PolarHBondContact O-N 3.29Å; K61-W66 HydrophobicContact CB-CB 4.15Å; K61-W66 HydrophobicContact CB-CE3 4.47Å; K61-W66 HydrophobicContact CD-CD2 4.08Å; K61-W66 HydrophobicContact CD-CE3 3.68Å; K61-W66 HydrophobicContact CD-CZ3 4.22Å; K61-P154 HydrophobicContact CD-CB 3.92Å; K61-P154 HydrophobicContact CD-CG 4.41Å; K61-V155 HydrophobicContact CB-CG1 3.95Å; K61-V155 HydrophobicContact CG-CG1 3.98Å
62S86.3Confident91.8Very high63 Ų6322 Ų2244%0.44114%0.14SC..THydrogen-bonded Turntrans51.631.6-177.5-610000113.6R42 N43 A64 S318R42-S62 PolarHBondContact O-N 3.41Å; R42-S62 VanDerWaalsContact O-N 3.11Å; N43-S62 PolarHBondContact OD1-N 3.2Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-S318 PolarHBondContact OG-OG 2.85Å
63G88.9Confident91.7Very high6 Ų617.6 Ų17.66%0.06211%0.109CC..THydrogen-bonded Turntrans81.36.3-178.500000115.4R42 K61 F87R42-G63 PolarHBondContact O-N 2.95Å; K61-G63 PolarHBondContact O-N 2.71Å; K61-G63 VanDerWaalsContact O-N 3.09Å; G63-F87 WeakPolarHBondContact O-CD2 3.26Å
64A91.6Very high91.5Very high6 Ų616.5 Ų16.55%0.0510%0.102CC..EExtended strand (participates in β ladder)trans-113150.1176.700000110.8L60 K61 S62 L79 V80 E81L60-A64 CarbonylContact C-O 3.58Å; L60-A64 WeakPolarHBondContact CA-O 3.48Å; L60-A64 WeakPolarHBondContact CD1-O 3.2Å; K61-A64 PolarHBondContact N-O 2.97Å; K61-A64 PolarHBondContact O-N 3.29Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-L79 HydrophobicContact CB-CD1 3.38Å; A64-L79 HydrophobicContact CB-CG 4.26Å; A64-V80 WeakPolarHBondContact CB-O 3.37Å; A64-E81 HydrophobicContact CB-CG 4.08Å
65V95.1Very high91.2Very high0 Ų015.1 Ų15.10%010%0.097CC..EExtended strand (participates in β ladder)trans-81.8122.1179.4179.20000108.7F37 L58 L60 V80 F87 I114 V116F37-V65 HydrophobicContact CE1-CG2 3.91Å; F37-V65 HydrophobicContact CZ-CG2 3.87Å; L58-V65 HydrophobicContact CD1-CG1 3.67Å; L60-V65 HydrophobicContact CD1-CG2 4.05Å; V65-V80 HydrophobicContact CB-CB 4.37Å; V65-V80 PolarHBondContact N-O 3.12Å; V65-V80 PolarHBondContact O-N 2.95Å; V65-F87 HydrophobicContact CG2-CD2 3.97Å; V65-F87 HydrophobicContact CG2-CE2 4.14Å; V65-F87 HydrophobicContact CG2-CG 4.46Å; V65-I114 HydrophobicContact CG1-CD1 3.9Å; V65-V116 HydrophobicContact CB-CG2 4.11Å; V65-V116 HydrophobicContact CG1-CG2 4.32Å; V65-V116 HydrophobicContact CG2-CG2 3.98Å
66W94.1Very high91Very high45 Ų4515 Ų1517%0.1710%0.097CC..EExtended strand (participates in β ladder)trans-115.3123.1-177-161.6-73.1000110.3S59 K61 V68 E77 L79 P154S59-W66 PolarHBondContact N-O 2.83Å; S59-W66 PolarHBondContact O-N 3.05Å; K61-W66 HydrophobicContact CB-CB 4.15Å; K61-W66 HydrophobicContact CB-CE3 4.47Å; K61-W66 HydrophobicContact CD-CD2 4.08Å; K61-W66 HydrophobicContact CD-CE3 3.68Å; K61-W66 HydrophobicContact CD-CZ3 4.22Å; W66-V68 VanDerWaalsContact CD1-CG2 3.45Å; W66-E77 HydrophobicContact CZ2-CB 4.39Å; W66-E77 WeakPolarHBondContact CZ2-OE2 3.13Å; W66-L79 HydrophobicContact CD2-CD1 4.19Å; W66-L79 HydrophobicContact CE3-CB 4.02Å; W66-L79 HydrophobicContact CE3-CD1 3.27Å; W66-L79 HydrophobicContact CE3-CD2 4.33Å; W66-L79 HydrophobicContact CE3-CG 4.04Å; W66-L79 HydrophobicContact CH2-CB 4.36Å; W66-L79 HydrophobicContact CZ3-CB 3.85Å; W66-L79 HydrophobicContact CZ3-CD1 3.67Å; W66-L79 HydrophobicContact CZ3-CD2 3.81Å; W66-L79 HydrophobicContact CZ3-CG 3.95Å; W66-P154 HydrophobicContact CB-CG 4.23Å; W66-P154 HydrophobicContact CG-CB 4.4Å; W66-P154 HydrophobicContact CG-CG 3.88Å
67L95.4Very high90.8Very high0 Ų020.7 Ų20.70%012%0.124CC..EExtended strand (participates in β ladder)trans-114.5129.9176.5174.568.5000109.7V56 N57 L58 I69 F76 E77 A78 V97 V112 I114V56-L67 HydrophobicContact CG1-CD1 4.26Å; N57-L67 WeakPolarHBondContact O-CA 3.25Å; L58-L67 HydrophobicContact CD1-CB 4.24Å; L58-L67 HydrophobicContact CD1-CD1 4.3Å; L67-I69 HydrophobicContact CD1-CD1 4.11Å; L67-I69 HydrophobicContact CD1-CG1 3.87Å; L67-I69 HydrophobicContact CD2-CD1 4.1Å; L67-I69 HydrophobicContact CD2-CG1 4.38Å; L67-I69 HydrophobicContact CG-CD1 4.3Å; L67-I69 HydrophobicContact CG-CG1 4.06Å; L67-F76 HydrophobicContact CD2-CE1 4.37Å; L67-E77 CarbonylContact O-C 3.6Å; L67-E77 WeakPolarHBondContact O-CA 3.48Å; L67-A78 HydrophobicContact CB-CB 4.39Å; L67-A78 PolarHBondContact N-O 2.89Å; L67-A78 PolarHBondContact O-N 3.17Å; L67-V97 HydrophobicContact CD1-CG1 4.36Å; L67-V97 HydrophobicContact CD1-CG2 4.27Å; L67-V97 HydrophobicContact CD2-CB 4.49Å; L67-V97 HydrophobicContact CD2-CG1 3.6Å; L67-V97 HydrophobicContact CD2-CG2 4.03Å; L67-V112 HydrophobicContact CD2-CG1 3.78Å; L67-I114 HydrophobicContact CB-CD1 3.79Å; L67-I114 HydrophobicContact CD2-CB 3.97Å; L67-I114 HydrophobicContact CD2-CD1 4.11Å; L67-I114 HydrophobicContact CD2-CG2 4.4Å
68V94.4Very high90.6Very high2 Ų220.8 Ų20.81%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-125126.2169.8-166.10000109.3Y55 V56 N57 W66 A75 F76 E77 G152Y55-V68 HydrophobicContact CE2-CB 4.42Å; Y55-V68 HydrophobicContact CE2-CG1 3.76Å; V56-V68 CarbonylContact C-O 3.57Å; V56-V68 WeakPolarHBondContact CA-O 3.35Å; N57-V68 HydrophobicContact CB-CB 4.31Å; N57-V68 PolarHBondContact N-O 2.96Å; N57-V68 PolarHBondContact O-N 2.93Å; W66-V68 VanDerWaalsContact CD1-CG2 3.45Å; V68-A75 HydrophobicContact CG1-CB 3.81Å; V68-F76 WeakPolarHBondContact CA-O 3.39Å; V68-E77 HydrophobicContact CG1-CG 4Å; V68-E77 HydrophobicContact CG2-CG 4.18Å; V68-G152 WeakPolarHBondContact CG2-O 3.45Å
69I92.6Very high90.2Very high2 Ų223.5 Ų23.51%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-127.9124.1174.9-59-174.5000108.6Y55 V56 L67 L71 A75 F76 V97 V112 T126Y55-I69 WeakPolarHBondContact O-CA 3.23Å; V56-I69 HydrophobicContact CG1-CG1 4.17Å; V56-I69 HydrophobicContact CG2-CD1 4.49Å; V56-I69 HydrophobicContact CG2-CG1 4.18Å; V56-I69 HydrophobicContact CG2-CG2 4.24Å; L67-I69 HydrophobicContact CD1-CD1 4.11Å; L67-I69 HydrophobicContact CD1-CG1 3.87Å; L67-I69 HydrophobicContact CD2-CD1 4.1Å; L67-I69 HydrophobicContact CD2-CG1 4.38Å; L67-I69 HydrophobicContact CG-CD1 4.3Å; L67-I69 HydrophobicContact CG-CG1 4.06Å; I69-L71 HydrophobicContact CG2-CD2 3.83Å; I69-L71 HydrophobicContact CG2-CG 4.25Å; I69-A75 CarbonylContact O-C 3.58Å; I69-A75 WeakPolarHBondContact O-CA 3.48Å; I69-F76 PolarHBondContact N-O 2.78Å; I69-F76 PolarHBondContact O-N 3Å; I69-V97 HydrophobicContact CD1-CG1 4.34Å; I69-V112 HydrophobicContact CD1-CG1 3.84Å; I69-V112 HydrophobicContact CD1-CG2 4.07Å; I69-T126 HydrophobicContact CG2-CG2 4.34Å
70N90.8Very high90Very high18 Ų1823.8 Ų23.810%0.09614%0.14CC..EExtended strand (participates in β ladder)trans-122.5137.2169.8-164.2-10.9000109.5A53 D54 Y55 G72 S73 G74 A75A53-N70 CarbonylContact O-C 3.18Å; A53-N70 VanDerWaalsContact O-CB 3.25Å; A53-N70 WeakPolarHBondContact O-CB 3.36Å; A53-N70 PolarHBondContact O-ND2 3.07Å; A53-N70 PolarHBondContact O-OD1 3.24Å; D54-N70 WeakPolarHBondContact CA-O 3.2Å; Y55-N70 HydrophobicContact CD1-CB 4.01Å; Y55-N70 HydrophobicContact CD2-CB 4.24Å; Y55-N70 HydrophobicContact CE1-CB 3.57Å; Y55-N70 HydrophobicContact CE2-CB 3.79Å; Y55-N70 HydrophobicContact CG-CB 4.34Å; Y55-N70 VanDerWaalsContact CZ-CB 3.46Å; Y55-N70 PolarHBondContact N-O 3.03Å; Y55-N70 PolarHBondContact O-N 2.95Å; N70-G72 PolarHBondContact OD1-N 2.86Å; N70-G72 VanDerWaalsContact OD1-N 3.07Å; N70-S73 PolarHBondContact OD1-N 3.45Å; N70-G74 VanDerWaalsContact OD1-C 3.3Å; N70-G74 PolarHBondContact OD1-N 3.44Å; N70-G74 PolarHBondContact OD1-O 3.12Å; N70-A75 HydrophobicContact CB-CB 4.13Å
71L89.3Confident89.7Confident1 Ų129.9 Ų29.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-118.422.3-177.8-51.5179000111.2D54 I69 R99 A110 T126 Y130 L133D54-L71 WeakPolarHBondContact OD1-CA 3.5Å; I69-L71 HydrophobicContact CG2-CD2 3.83Å; I69-L71 HydrophobicContact CG2-CG 4.25Å; L71-R99 VanDerWaalsContact CD2-NH1 3.26Å; L71-A110 HydrophobicContact CD1-CB 3.71Å; L71-T126 HydrophobicContact CD1-CG2 3.76Å; L71-T126 HydrophobicContact CG-CG2 4.08Å; L71-Y130 WeakPolarHBondContact CD1-O 3.48Å; L71-Y130 WeakPolarHBondContact O-CB 3.4Å; L71-L133 HydrophobicContact CD2-CB 3.84Å; L71-L133 HydrophobicContact CD2-CD1 4.05Å
72G84.7Confident89.5Confident36 Ų3629 Ų2937%0.37117%0.169SC..SBendtrans107-23.417700000114.7A53 D54 N70A53-G72 PolarHBondContact O-N 2.98Å; D54-G72 WeakPolarHBondContact OD1-CA 3.38Å; D54-G72 PolarHBondContact OD1-N 3.19Å; N70-G72 PolarHBondContact OD1-N 2.86Å; N70-G72 VanDerWaalsContact OD1-N 3.07Å
73S81.8Confident89.2Confident17 Ų1731.3 Ų31.312%0.11918%0.18CC..SBendtrans-120.314.3-171.552.20000115.4N70 Q127 E128 Y130N70-S73 PolarHBondContact OD1-N 3.45Å; S73-Q127 PolarHBondContact OG-O 3.44Å; S73-E128 VanDerWaalsContact CB-OE2 3.31Å; S73-E128 WeakPolarHBondContact CB-OE2 3.26Å; S73-Y130 WeakPolarHBondContact OG-CB 3.46Å
74G80.9Confident88.6Confident17 Ų1738.4 Ų38.418%0.17522%0.217CC..  trans127.8142176.200000112.3N70N70-G74 VanDerWaalsContact OD1-C 3.3Å; N70-G74 PolarHBondContact OD1-N 3.44Å; N70-G74 PolarHBondContact OD1-O 3.12Å
75A85.3Confident88.2Confident21 Ų2141.2 Ų41.217%0.17425%0.247CC..EExtended strand (participates in β ladder)trans-77.9138-173.500000112.3V68 I69 N70 Q127V68-A75 HydrophobicContact CG1-CB 3.81Å; I69-A75 CarbonylContact O-C 3.58Å; I69-A75 WeakPolarHBondContact O-CA 3.48Å; N70-A75 HydrophobicContact CB-CB 4.13Å; A75-Q127 PolarHBondContact O-NE2 3.45Å
76F88.8Confident88Confident20 Ų2047.1 Ų47.19%0.08827%0.272CS..EExtended strand (participates in β ladder)trans-86.5128.7156.3171.2-105.7000108.7L67 V68 I69 A78 V112 Y125 T126L67-F76 HydrophobicContact CD2-CE1 4.37Å; V68-F76 WeakPolarHBondContact CA-O 3.39Å; I69-F76 PolarHBondContact N-O 2.78Å; I69-F76 PolarHBondContact O-N 3Å; F76-A78 HydrophobicContact CE1-CB 3.63Å; F76-A78 HydrophobicContact CZ-CB 3.66Å; F76-V112 HydrophobicContact CD1-CB 3.75Å; F76-V112 HydrophobicContact CD1-CG1 3.78Å; F76-V112 HydrophobicContact CD1-CG2 3.92Å; F76-V112 HydrophobicContact CE1-CB 3.56Å; F76-V112 HydrophobicContact CE1-CG1 3.44Å; F76-V112 VanDerWaalsContact CE1-CG1 3.44Å; F76-V112 HydrophobicContact CE1-CG2 4.27Å; F76-V112 HydrophobicContact CG-CB 4.48Å; F76-V112 HydrophobicContact CG-CG2 4.42Å; F76-V112 HydrophobicContact CZ-CB 4.17Å; F76-V112 HydrophobicContact CZ-CG1 4.37Å; F76-Y125 WeakPolarHBondContact CD2-O 3.44Å; F76-T126 HydrophobicContact CB-CG2 3.92Å
77E91.4Very high88Confident121 Ų12145.1 Ų45.157%0.56527%0.265SS*.EExtended strand (participates in β ladder)trans-118.7130.3175.4-67.6179.7-160.300109.5W66 L67 V68W66-E77 HydrophobicContact CZ2-CB 4.39Å; W66-E77 WeakPolarHBondContact CZ2-OE2 3.13Å; L67-E77 CarbonylContact O-C 3.6Å; L67-E77 WeakPolarHBondContact O-CA 3.48Å; V68-E77 HydrophobicContact CG1-CG 4Å; V68-E77 HydrophobicContact CG2-CG 4.18Å
78A91.4Very high87.8Confident2 Ų246.1 Ų46.12%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-129128.9173.100000110.6L67 F76 I114 T122L67-A78 HydrophobicContact CB-CB 4.39Å; L67-A78 PolarHBondContact N-O 2.89Å; L67-A78 PolarHBondContact O-N 3.17Å; F76-A78 HydrophobicContact CE1-CB 3.63Å; F76-A78 HydrophobicContact CZ-CB 3.66Å; A78-I114 HydrophobicContact CB-CG2 3.81Å; A78-T122 HydrophobicContact CB-CG2 3.99Å
79L90.3Very high87.7Confident59 Ų5949.9 Ų49.931%0.30929%0.29SS..EExtended strand (participates in β ladder)trans-105.4129.5169-178.261.5000109.1A64 W66 E81A64-L79 HydrophobicContact CB-CD1 3.38Å; A64-L79 HydrophobicContact CB-CG 4.26Å; W66-L79 HydrophobicContact CD2-CD1 4.19Å; W66-L79 HydrophobicContact CE3-CB 4.02Å; W66-L79 HydrophobicContact CE3-CD1 3.27Å; W66-L79 HydrophobicContact CE3-CD2 4.33Å; W66-L79 HydrophobicContact CE3-CG 4.04Å; W66-L79 HydrophobicContact CH2-CB 4.36Å; W66-L79 HydrophobicContact CZ3-CB 3.85Å; W66-L79 HydrophobicContact CZ3-CD1 3.67Å; W66-L79 HydrophobicContact CZ3-CD2 3.81Å; W66-L79 HydrophobicContact CZ3-CG 3.95Å; L79-E81 HydrophobicContact CD2-CG 3.77Å; L79-E81 HydrophobicContact CG-CG 3.93Å
80V91.7Very high87.8Confident5 Ų551.8 Ų51.83%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-113.4114.2168.7-172.70000107.5A64 V65 F87 I114 V116 L120A64-V80 WeakPolarHBondContact CB-O 3.37Å; V65-V80 HydrophobicContact CB-CB 4.37Å; V65-V80 PolarHBondContact N-O 3.12Å; V65-V80 PolarHBondContact O-N 2.95Å; V80-F87 HydrophobicContact CG1-CZ 4.36Å; V80-F87 WeakPolarHBondContact O-CE2 3.3Å; V80-I114 HydrophobicContact CG2-CD1 4.21Å; V80-I114 HydrophobicContact CG2-CG1 4.11Å; V80-I114 HydrophobicContact CG2-CG2 3.69Å; V80-V116 HydrophobicContact CB-CG2 4.01Å; V80-V116 HydrophobicContact CG1-CB 4.15Å; V80-V116 HydrophobicContact CG1-CG2 3.75Å; V80-V116 HydrophobicContact CG2-CG2 4.31Å; V80-L120 HydrophobicContact CG1-CB 3.67Å; V80-L120 HydrophobicContact CG1-CD1 4.46Å
81E88.6Confident87.9Confident130 Ų13052.9 Ų52.961%0.60731%0.312SS*.  trans-98.1146.1175.2-63.9-173.3137.900110.4A64 L79 V83A64-E81 HydrophobicContact CB-CG 4.08Å; L79-E81 HydrophobicContact CD2-CG 3.77Å; L79-E81 HydrophobicContact CG-CG 3.93Å; E81-V83 PolarHBondContact O-N 2.77Å
82P86.4Confident88.2Confident38 Ų3856.8 Ų56.825%0.24733%0.326CS..  trans-69.5129.4174.828.4-31.5000110F87P82-F87 HydrophobicContact CB-CD1 4.39Å; P82-F87 HydrophobicContact CB-CD2 4.24Å; P82-F87 HydrophobicContact CB-CE1 4.16Å; P82-F87 HydrophobicContact CB-CE2 4.01Å; P82-F87 HydrophobicContact CB-CG 4.42Å; P82-F87 HydrophobicContact CB-CZ 3.98Å; P82-F87 HydrophobicContact CG-CD2 4.17Å; P82-F87 HydrophobicContact CG-CE2 4.21Å
83V79.7Confident88.8Confident112 Ų11255.8 Ų55.868%0.67931%0.312SS*.SBendtrans-72.3-37.6177.71730000111.5E81 L120E81-V83 PolarHBondContact O-N 2.77Å; V83-L120 HydrophobicContact CB-CD2 4.17Å; V83-L120 HydrophobicContact CG2-CD2 3.37Å
84N76.3Confident89.5Confident154 Ų15459.4 Ų59.482%0.82433%0.33SS*.SBendtrans-136.5134.7174.1-74.3-37.6000108.6
85G83.8Confident90.3Very high66 Ų6658.8 Ų58.868%0.6832%0.323SS*.SBendtrans84.5-148-18000000113.3
86K90.4Very high90.8Very high123 Ų12364.1 Ų64.154%0.53534%0.339SS..  trans-147.5145-177.4-61.9-179.5-176.7171.10109.1N88 D89K86-N88 VanDerWaalsContact C-N 3.25Å; K86-N88 WeakPolarHBondContact CB-OD1 3.37Å; K86-N88 PolarHBondContact O-N 3.25Å; K86-D89 WeakPolarHBondContact O-CB 3.39Å
87F93.6Very high91.2Very high3 Ų363.3 Ų63.31%0.01334%0.335CS..THydrogen-bonded Turntrans-74.7-16.9172.9-66.8-47.9000114F37 L60 G63 V65 V80 P82 D89 H93 V116 L120F37-F87 HydrophobicContact CE2-CB 4.07Å; F37-F87 WeakPolarHBondContact CE2-O 3.34Å; F37-F87 HydrophobicContact CZ-CB 3.89Å; F37-F87 HydrophobicContact CZ-CD1 4.49Å; F37-F87 HydrophobicContact CZ-CG 4.25Å; L60-F87 HydrophobicContact CD1-CB 4.2Å; G63-F87 WeakPolarHBondContact O-CD2 3.26Å; V65-F87 HydrophobicContact CG2-CD2 3.97Å; V65-F87 HydrophobicContact CG2-CE2 4.14Å; V65-F87 HydrophobicContact CG2-CG 4.46Å; V80-F87 HydrophobicContact CG1-CZ 4.36Å; V80-F87 WeakPolarHBondContact O-CE2 3.3Å; P82-F87 HydrophobicContact CB-CD1 4.39Å; P82-F87 HydrophobicContact CB-CD2 4.24Å; P82-F87 HydrophobicContact CB-CE1 4.16Å; P82-F87 HydrophobicContact CB-CE2 4.01Å; P82-F87 HydrophobicContact CB-CG 4.42Å; P82-F87 HydrophobicContact CB-CZ 3.98Å; P82-F87 HydrophobicContact CG-CD2 4.17Å; P82-F87 HydrophobicContact CG-CE2 4.21Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 3.05Å; F87-H93 AromaticContact CD1-CE1 3.88Å; F87-H93 AromaticContact CD1-CG 3.94Å; F87-H93 AromaticContact CD1-ND1 3.77Å; F87-H93 PolarHBondContact O-CD2 3.06Å; F87-V116 HydrophobicContact CD1-CG1 4.12Å; F87-V116 HydrophobicContact CE1-CB 4.26Å; F87-V116 HydrophobicContact CE1-CG1 3.44Å; F87-V116 VanDerWaalsContact CE1-CG1 3.44Å; F87-V116 HydrophobicContact CZ-CB 4.08Å; F87-V116 HydrophobicContact CZ-CG1 3.71Å; F87-V116 HydrophobicContact CZ-CG2 4.47Å; F87-L120 HydrophobicContact CE1-CD1 4.03Å; F87-L120 HydrophobicContact CZ-CD1 3.61Å
88N92.1Very high91.3Very high22 Ų2259.1 Ų59.112%0.11832%0.318CS..THydrogen-bonded Turntrans-98.843.3177.173.1-54.6000111.5T39 L40 Q41 R42 L60 K86T39-N88 HydrophobicContact CG2-CB 4.41Å; T39-N88 CarbonylContact O-C 3.58Å; T39-N88 WeakPolarHBondContact O-CA 3.15Å; L40-N88 PolarHBondContact O-ND2 3.06Å; Q41-N88 WeakPolarHBondContact O-CB 3.23Å; R42-N88 WeakPolarHBondContact CG-ND2 3.3Å; L60-N88 HydrophobicContact CD2-CB 4.28Å; K86-N88 VanDerWaalsContact C-N 3.25Å; K86-N88 WeakPolarHBondContact CB-OD1 3.37Å; K86-N88 PolarHBondContact O-N 3.25Å
89D92.4Very high91.3Very high80 Ų8059 Ų5943%0.42832%0.317SS..SBendtrans-966.3-178.765.8-2.7000113.3K86 F87 A91 H93K86-D89 WeakPolarHBondContact O-CB 3.39Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 3.05Å; D89-A91 PolarHBondContact O-N 3.47Å; D89-A91 VanDerWaalsContact OD1-CB 3.23Å; D89-A91 WeakPolarHBondContact OD1-CB 3.44Å; D89-A91 PolarHBondContact OD1-N 2.81Å; D89-H93 IonicContact OD1-CD2 2.95Å; D89-H93 IonicContact OD1-NE2 3.53Å; D89-H93 PolarHBondContact OD1-NE2 3.48Å; D89-H93 VanDerWaalsContact OD1-NE2 3.16Å; D89-H93 IonicContact OD2-NE2 3.56Å
90N93.3Very high91.1Very high43 Ų4359.6 Ų59.623%0.2332%0.32CS..SBendtrans62.323.5-173.2-156.631.4000114.5R38 T39 L40R38-N90 WeakPolarHBondContact CG-O 3.42Å; R38-N90 WeakPolarHBondContact CG-OD1 3.21Å; R38-N90 PolarHBondContact NE-O 3.36Å; R38-N90 PolarHBondContact NE-OD1 3.49Å; R38-N90 PolarHBondContact NH2-ND2 2.87Å; T39-N90 WeakPolarHBondContact O-CA 3.34Å; T39-N90 PolarHBondContact O-N 3.46Å; L40-N90 HydrophobicContact CD2-CB 3.73Å; L40-N90 HydrophobicContact CG-CB 3.88Å
91A94.6Very high90.5Very high40 Ų4062.2 Ų62.233%0.33133%0.334SS..SBendtrans-96167.7165.800000111.2R38 D89R38-A91 WeakPolarHBondContact CA-O 3.5Å; D89-A91 PolarHBondContact O-N 3.47Å; D89-A91 VanDerWaalsContact OD1-CB 3.23Å; D89-A91 WeakPolarHBondContact OD1-CB 3.44Å; D89-A91 PolarHBondContact OD1-N 2.81Å
92W95.6Very high89.6Confident83 Ų8362.3 Ų62.331%0.31433%0.329SS..  trans-81.3129.1172.9-76.5109.3000110.1V8 F37 R38 C162 K164 C198V8-W92 HydrophobicContact CG2-CH2 3.71Å; V8-W92 HydrophobicContact CG2-CZ2 4.1Å; F37-W92 WeakPolarHBondContact O-CA 3.37Å; R38-W92 HydrophobicContact CB-CD2 3.9Å; R38-W92 HydrophobicContact CB-CE3 3.81Å; R38-W92 HydrophobicContact CB-CG 4.48Å; R38-W92 HydrophobicContact CB-CH2 4.31Å; R38-W92 HydrophobicContact CB-CZ2 4.4Å; R38-W92 HydrophobicContact CB-CZ3 4.01Å; W92-C162 HydrophobicContact CH2-CB 3.47Å; W92-C162 VanDerWaalsContact CH2-CB 3.47Å; W92-C162 HydrophobicContact CZ2-CB 4.01Å; W92-C162 HydrophobicContact CZ3-CB 4.2Å; W92-K164 HydrophobicContact CD2-CD 4.39Å; W92-K164 HydrophobicContact CE3-CD 4.18Å; W92-K164 HydrophobicContact CE3-CG 4.14Å; W92-K164 HydrophobicContact CH2-CB 3.91Å; W92-K164 HydrophobicContact CH2-CD 3.81Å; W92-K164 HydrophobicContact CH2-CG 3.78Å; W92-K164 HydrophobicContact CZ2-CD 4.03Å; W92-K164 HydrophobicContact CZ2-CG 4.49Å; W92-K164 HydrophobicContact CZ3-CB 4.08Å; W92-K164 HydrophobicContact CZ3-CD 3.91Å; W92-K164 HydrophobicContact CZ3-CG 3.59Å; W92-C198 HydrophobicContact CZ2-CB 4.11Å
93H96.4Very high88.5Confident16 Ų1668.1 Ų68.17%0.07435%0.353CS..EExtended strand (participates in β ladder)trans-122134.5172.2-65.7-72.3000110.9S36 F37 F87 D89 V116 D117S36-H93 CarbonylContact C-O 3.56Å; S36-H93 WeakPolarHBondContact CA-O 3.48Å; S36-H93 WeakPolarHBondContact CB-O 3.14Å; F37-H93 HydrophobicContact CD1-CB 4.12Å; F37-H93 HydrophobicContact CE1-CB 3.6Å; F37-H93 HydrophobicContact CE2-CB 4.17Å; F37-H93 HydrophobicContact CZ-CB 3.63Å; F37-H93 PolarHBondContact N-O 3.35Å; F37-H93 PolarHBondContact O-N 2.9Å; F87-H93 AromaticContact CD1-CE1 3.88Å; F87-H93 AromaticContact CD1-CG 3.94Å; F87-H93 AromaticContact CD1-ND1 3.77Å; F87-H93 PolarHBondContact O-CD2 3.06Å; D89-H93 IonicContact OD1-CD2 2.95Å; D89-H93 IonicContact OD1-NE2 3.53Å; D89-H93 PolarHBondContact OD1-NE2 3.48Å; D89-H93 VanDerWaalsContact OD1-NE2 3.16Å; D89-H93 IonicContact OD2-NE2 3.56Å; H93-V116 HydrophobicContact CB-CG1 4.37Å; H93-D117 WeakPolarHBondContact CA-OD1 3.14Å; H93-D117 WeakPolarHBondContact CB-OD1 3.35Å; H93-D117 IonicContact CE1-OD2 3.29Å; H93-D117 IonicContact CG-OD1 2.66Å; H93-D117 IonicContact CG-OD2 3.85Å; H93-D117 IonicContact ND1-OD1 3.17Å; H93-D117 PolarHBondContact ND1-OD1 2.92Å; H93-D117 IonicContact ND1-OD2 2.87Å; H93-D117 PolarHBondContact ND1-OD2 3.37Å
94D96.6Very high87.4Confident92 Ų9269.8 Ų69.849%0.49235%0.353SS..EExtended strand (participates in β ladder)trans-94.9123.8-178.5-69.2-34.2000110.4S36 V116 D117S36-D94 VanDerWaalsContact CB-OD1 3.27Å; S36-D94 WeakPolarHBondContact CB-OD1 3.39Å; S36-D94 PolarHBondContact OG-OD1 3.42Å; D94-V116 CarbonylContact O-C 3.57Å; D94-V116 VanDerWaalsContact O-CA 3.26Å; D94-V116 WeakPolarHBondContact O-CA 3.18Å; D94-D117 PolarHBondContact N-OD1 3.37Å; D94-D117 PolarHBondContact O-N 3.2Å
95V97.1Very high86.4Confident4 Ų467.3 Ų67.32%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-110.3127.3175.1-174.20000109.4T34 L35 F37 L58 V97 I114 S115 V116T34-V95 WeakPolarHBondContact CA-O 3.4Å; L35-V95 HydrophobicContact CD1-CB 4.03Å; L35-V95 HydrophobicContact CD1-CG2 4.03Å; L35-V95 HydrophobicContact CG-CB 4.23Å; L35-V95 PolarHBondContact N-O 2.96Å; L35-V95 PolarHBondContact O-N 3.04Å; F37-V95 HydrophobicContact CD1-CG2 3.63Å; F37-V95 HydrophobicContact CE1-CG2 3.46Å; F37-V95 VanDerWaalsContact CE1-CG2 3.46Å; L58-V95 HydrophobicContact CD1-CG1 4.36Å; L58-V95 HydrophobicContact CD2-CG1 3.91Å; V95-V97 HydrophobicContact CG1-CG2 4.3Å; V95-I114 HydrophobicContact CG1-CD1 4.27Å; V95-I114 HydrophobicContact CG1-CG1 4.41Å; V95-S115 WeakPolarHBondContact CA-O 3.49Å; V95-V116 HydrophobicContact CG2-CG2 4.4Å
96R97Very high85.3Confident134 Ų13468 Ų6851%0.50636%0.36SS..EExtended strand (participates in β ladder)trans-126.8125.2169.8176.9179-64.1171.23.1110E32 I33 T34 T98 I114 S115E32-R96 IonicContact OE1-NE 3.19Å; I33-R96 CarbonylContact O-C 3.59Å; I33-R96 WeakPolarHBondContact O-CA 3.48Å; T34-R96 HydrophobicContact CG2-CB 4.27Å; T34-R96 HydrophobicContact CG2-CG 4.02Å; R96-T98 HydrophobicContact CG-CG2 4.14Å; R96-I114 CarbonylContact O-C 3.58Å; R96-I114 WeakPolarHBondContact O-CA 3.45Å; R96-S115 PolarHBondContact N-O 3.18Å; R96-S115 PolarHBondContact O-N 3.35Å; R96-S115 PolarHBondContact O-OG 2.78Å
97V96.4Very high84Confident2 Ų265.6 Ų65.61%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-114.2128.7171.9-175.70000108.1E32 I33 L67 I69 V95 V112 T113 I114E32-V97 CarbonylContact C-O 3.6Å; E32-V97 VanDerWaalsContact CA-O 3.3Å; E32-V97 WeakPolarHBondContact CA-O 3.35Å; I33-V97 HydrophobicContact CB-CB 4.22Å; I33-V97 PolarHBondContact N-O 2.82Å; I33-V97 PolarHBondContact O-N 2.59Å; L67-V97 HydrophobicContact CD1-CG1 4.36Å; L67-V97 HydrophobicContact CD1-CG2 4.27Å; L67-V97 HydrophobicContact CD2-CB 4.49Å; L67-V97 HydrophobicContact CD2-CG1 3.6Å; L67-V97 HydrophobicContact CD2-CG2 4.03Å; I69-V97 HydrophobicContact CD1-CG1 4.34Å; V95-V97 HydrophobicContact CG1-CG2 4.3Å; V97-V112 HydrophobicContact CG1-CG1 4.18Å; V97-T113 CarbonylContact C-O 3.55Å; V97-T113 WeakPolarHBondContact CA-O 3.19Å; V97-I114 HydrophobicContact CG2-CB 4.29Å; V97-I114 HydrophobicContact CG2-CD1 4.04Å; V97-I114 HydrophobicContact CG2-CG1 4.01Å
98T93.6Very high82.6Confident33 Ų3366.2 Ų66.220%0.20236%0.36CS..EExtended strand (participates in β ladder)trans-125.1128173.4590000109.3E32 R96 V112 T113E32-T98 HydrophobicContact CG-CG2 4.09Å; R96-T98 HydrophobicContact CG-CG2 4.14Å; T98-V112 CarbonylContact O-C 3.28Å; T98-V112 WeakPolarHBondContact O-CA 3.27Å; T98-T113 PolarHBondContact N-O 3.05Å; T98-T113 PolarHBondContact O-N 3.02Å
99R91.7Very high81.7Confident0 Ų067.9 Ų67.90%037%0.367CS..EExtended strand (participates in β ladder)trans-115123.8172.1-171.2173.667105.25.9108.8S28 T30 D31 L71 A110 M111 V112 T131 L133S28-R99 PolarHBondContact O-NH2 2.99Å; T30-R99 CarbonylContact C-O 3.51Å; T30-R99 VanDerWaalsContact CA-O 3.23Å; T30-R99 WeakPolarHBondContact CA-O 3.29Å; D31-R99 PolarHBondContact N-O 2.9Å; D31-R99 PolarHBondContact O-N 2.84Å; D31-R99 WeakPolarHBondContact OD1-CB 3.4Å; D31-R99 IonicContact OD1-CZ 2.81Å; D31-R99 IonicContact OD1-NE 2.74Å; D31-R99 PolarHBondContact OD1-NE 2.89Å; D31-R99 IonicContact OD1-NH2 2.9Å; D31-R99 IonicContact OD2-CZ 3.22Å; D31-R99 IonicContact OD2-NE 3.61Å; D31-R99 PolarHBondContact OD2-NE 2.97Å; D31-R99 IonicContact OD2-NH2 2.73Å; D31-R99 PolarHBondContact OD2-NH2 3.1Å; L71-R99 VanDerWaalsContact CD2-NH1 3.26Å; R99-A110 HydrophobicContact CG-CB 3.97Å; R99-M111 CarbonylContact C-O 3.05Å; R99-M111 WeakPolarHBondContact CA-O 3.37Å; R99-V112 HydrophobicContact CB-CG2 4.49Å; R99-V112 HydrophobicContact CG-CG2 3.98Å; R99-T131 PolarHBondContact NH1-O 3.36Å; R99-L133 VanDerWaalsContact NH2-CB 3.34Å
100N86.1Confident81.2Confident71 Ų7164 Ų6438%0.3835%0.346SS..EExtended strand (participates in β ladder)trans-128.2131.7179.4-69.9-65.9000110.3R102 M111N100-R102 PolarHBondContact O-N 2.8Å; N100-M111 PolarHBondContact N-O 2.85Å; N100-M111 PolarHBondContact O-N 2.95Å
101L79.9Confident80.8Confident60 Ų6062.8 Ų62.831%0.31434%0.339SS..EExtended strand (participates in β ladder)trans-65.4124.6169.9-178.760.3000110T30 T131T30-L101 HydrophobicContact CG2-CB 4.36Å; L101-T131 HydrophobicContact CD1-CG2 3.26Å
102R67.9Low80.7Confident132 Ų13260.9 Ų60.950%0.49832%0.324SS..EExtended strand (participates in β ladder)trans-119.3127.3169-71.1-164.8171.3-172.31.9109.3N100 H109 M111N100-R102 PolarHBondContact O-N 2.8Å; R102-H109 PolarHBondContact N-O 3.15Å; R102-H109 PolarHBondContact O-N 2.95Å; R102-H109 VanDerWaalsContact O-O 3.14Å; R102-M111 HydrophobicContact CG-CB 4.22Å; R102-M111 PolarHBondContact NE-SD 3.33Å; R102-M111 VanDerWaalsContact NE-SD 3.35Å
103Q63.3Low80.5Confident161 Ų16158.1 Ų58.175%0.75232%0.316SS*.EExtended strand (participates in β ladder)trans-90.3123171.8-69.7-178.7-10.200109.1
104H56.8Low80.4Confident146 Ų14657.4 Ų57.468%0.67631%0.313SS*.EExtended strand (participates in β ladder)trans-128.3124.5173-154.868.8000109.3G106 I107H104-G106 PolarHBondContact O-N 3.15Å; H104-G106 VanDerWaalsContact O-N 3.1Å; H104-I107 PolarHBondContact N-O 2.96Å; H104-I107 PolarHBondContact O-N 3.36Å; H104-I107 VanDerWaalsContact O-O 3.13Å
105A55.6Low80.3Confident103 Ų10354 Ų5485%0.85130%0.296SS*.THydrogen-bonded Turntrans52.330.8-179.700000115.7
106G59.9Low80.2Confident79 Ų7953.8 Ų53.881%0.81430%0.295SS*.THydrogen-bonded Turntrans87.9-3.8179.400000115.2H104H104-G106 PolarHBondContact O-N 3.15Å; H104-G106 VanDerWaalsContact O-N 3.1Å
107I63.3Low79.9Confident73 Ų7350.2 Ų50.237%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-105.6133.7174.9-59.4173.5000108.8H104 D129H104-I107 PolarHBondContact N-O 2.96Å; H104-I107 PolarHBondContact O-N 3.36Å; H104-I107 VanDerWaalsContact O-O 3.13Å; I107-D129 HydrophobicContact CG2-CB 4.33Å; I107-D129 VanDerWaalsContact CG2-CG 3.5Å; I107-D129 WeakPolarHBondContact CG2-OD1 3.28Å
108G65.6Low79.1Confident16 Ų1653.1 Ų53.117%0.16532%0.316CS..EExtended strand (participates in β ladder)trans-89.9121.1178.300000111T131G108-T131 VanDerWaalsContact O-CG2 3.29Å; G108-T131 WeakPolarHBondContact O-CG2 3.44Å
109H73.1Confident78.3Confident57 Ų5758.3 Ų58.326%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-115.2136.7171.9-61.7-70.2000110.2R102 M111 Y125 E128R102-H109 PolarHBondContact N-O 3.15Å; R102-H109 PolarHBondContact O-N 2.95Å; R102-H109 VanDerWaalsContact O-O 3.14Å; H109-M111 PolarHBondContact O-N 3.37Å; H109-Y125 HydrophobicContact CB-CD1 3.77Å; H109-Y125 HydrophobicContact CB-CE1 4.44Å; H109-E128 PolarHBondContact ND1-O 3.38Å
110A80.5Confident77.6Confident0 Ų060 Ų600%035%0.35CS..EExtended strand (participates in β ladder)trans-82.7110.6172.400000109.3L71 R99 Y125 T126L71-A110 HydrophobicContact CD1-CB 3.71Å; R99-A110 HydrophobicContact CG-CB 3.97Å; A110-Y125 WeakPolarHBondContact O-CA 3.15Å; A110-T126 HydrophobicContact CB-CG2 4.21Å; A110-T126 WeakPolarHBondContact CB-OG1 3.39Å; A110-T126 PolarHBondContact O-N 3.42Å; A110-T126 VanDerWaalsContact O-N 3.12Å
111M86.8Confident77.2Confident17 Ų1760.3 Ų60.38%0.08436%0.355CS..EExtended strand (participates in β ladder)trans-81.3118.9173.9-171.1-173.171.500109R99 N100 R102 H109 T123 G124 Y125R99-M111 CarbonylContact C-O 3.05Å; R99-M111 WeakPolarHBondContact CA-O 3.37Å; N100-M111 PolarHBondContact N-O 2.85Å; N100-M111 PolarHBondContact O-N 2.95Å; R102-M111 HydrophobicContact CG-CB 4.22Å; R102-M111 PolarHBondContact NE-SD 3.33Å; R102-M111 VanDerWaalsContact NE-SD 3.35Å; H109-M111 PolarHBondContact O-N 3.37Å; M111-T123 HydrophobicContact CG-CG2 3.86Å; M111-T123 HydrophobicContact SD-CG2 4.06Å; M111-G124 CarbonylContact C-O 3.6Å; M111-G124 WeakPolarHBondContact CA-O 3.22Å; M111-Y125 HydrophobicContact CB-CD1 3.92Å; M111-Y125 HydrophobicContact CB-CE1 3.62Å; M111-Y125 HydrophobicContact CG-CD1 4.27Å; M111-Y125 HydrophobicContact CG-CE1 3.79Å
112V91Very high77.3Confident0 Ų059.8 Ų59.80%035%0.354CS..EExtended strand (participates in β ladder)trans-103.5134177.3-176.80000108.7L67 I69 F76 V97 T98 R99 T123 G124 T126L67-V112 HydrophobicContact CD2-CG1 3.78Å; I69-V112 HydrophobicContact CD1-CG1 3.84Å; I69-V112 HydrophobicContact CD1-CG2 4.07Å; F76-V112 HydrophobicContact CD1-CB 3.75Å; F76-V112 HydrophobicContact CD1-CG1 3.78Å; F76-V112 HydrophobicContact CD1-CG2 3.92Å; F76-V112 HydrophobicContact CE1-CB 3.56Å; F76-V112 HydrophobicContact CE1-CG1 3.44Å; F76-V112 VanDerWaalsContact CE1-CG1 3.44Å; F76-V112 HydrophobicContact CE1-CG2 4.27Å; F76-V112 HydrophobicContact CG-CB 4.48Å; F76-V112 HydrophobicContact CG-CG2 4.42Å; F76-V112 HydrophobicContact CZ-CB 4.17Å; F76-V112 HydrophobicContact CZ-CG1 4.37Å; V97-V112 HydrophobicContact CG1-CG1 4.18Å; T98-V112 CarbonylContact O-C 3.28Å; T98-V112 WeakPolarHBondContact O-CA 3.27Å; R99-V112 HydrophobicContact CB-CG2 4.49Å; R99-V112 HydrophobicContact CG-CG2 3.98Å; V112-T123 CarbonylContact O-C 3.56Å; V112-T123 VanDerWaalsContact O-CA 3.27Å; V112-T123 WeakPolarHBondContact O-CA 3.33Å; V112-G124 PolarHBondContact N-O 3.41Å; V112-G124 PolarHBondContact O-N 3.01Å; V112-T126 HydrophobicContact CG2-CG2 4.07Å
113T92.1Very high78.2Confident25 Ų2557.2 Ų57.215%0.15335%0.353CS..EExtended strand (participates in β ladder)trans-128.7123.5170.9-60.20000108.4V97 T98 T121 T122 T123V97-T113 CarbonylContact C-O 3.55Å; V97-T113 WeakPolarHBondContact CA-O 3.19Å; T98-T113 PolarHBondContact N-O 3.05Å; T98-T113 PolarHBondContact O-N 3.02Å; T113-T121 HydrophobicContact CG2-CG2 3.39Å; T113-T122 WeakPolarHBondContact CA-O 3.46Å; T113-T123 WeakPolarHBondContact OG1-CG2 3.35Å; T113-T123 PolarHBondContact OG1-OG1 3.43Å
114I94.9Very high79.2Confident0 Ų050.2 Ų50.20%032%0.324CS..EExtended strand (participates in β ladder)trans-108.9135169.9179.8163.5000108.5L58 V65 L67 A78 V80 V95 R96 V97 T121 T122L58-I114 HydrophobicContact CD1-CD1 4.04Å; V65-I114 HydrophobicContact CG1-CD1 3.9Å; L67-I114 HydrophobicContact CB-CD1 3.79Å; L67-I114 HydrophobicContact CD2-CB 3.97Å; L67-I114 HydrophobicContact CD2-CD1 4.11Å; L67-I114 HydrophobicContact CD2-CG2 4.4Å; A78-I114 HydrophobicContact CB-CG2 3.81Å; V80-I114 HydrophobicContact CG2-CD1 4.21Å; V80-I114 HydrophobicContact CG2-CG1 4.11Å; V80-I114 HydrophobicContact CG2-CG2 3.69Å; V95-I114 HydrophobicContact CG1-CD1 4.27Å; V95-I114 HydrophobicContact CG1-CG1 4.41Å; R96-I114 CarbonylContact O-C 3.58Å; R96-I114 WeakPolarHBondContact O-CA 3.45Å; V97-I114 HydrophobicContact CG2-CB 4.29Å; V97-I114 HydrophobicContact CG2-CD1 4.04Å; V97-I114 HydrophobicContact CG2-CG1 4.01Å; I114-T121 CarbonylContact O-C 3.51Å; I114-T121 VanDerWaalsContact O-CA 3.28Å; I114-T121 WeakPolarHBondContact O-CA 3.49Å; I114-T122 PolarHBondContact N-O 3.06Å; I114-T122 PolarHBondContact O-N 3.49Å
115S94.2Very high80.5Confident20 Ų2048.9 Ų48.914%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-128.7136.2173.162.20000110.7V95 R96 L120V95-S115 WeakPolarHBondContact CA-O 3.49Å; R96-S115 PolarHBondContact N-O 3.18Å; R96-S115 PolarHBondContact O-N 3.35Å; R96-S115 PolarHBondContact O-OG 2.78Å; S115-L120 CarbonylContact C-O 3.51Å; S115-L120 WeakPolarHBondContact CA-O 3.43Å
116V93.6Very high81.6Confident0 Ų044.2 Ų44.20%027%0.274CS..EExtended strand (participates in β ladder)trans-115.1130.2170.6-1720000108.9V65 V80 F87 H93 D94 V95 G118 I119 L120V65-V116 HydrophobicContact CB-CG2 4.11Å; V65-V116 HydrophobicContact CG1-CG2 4.32Å; V65-V116 HydrophobicContact CG2-CG2 3.98Å; V80-V116 HydrophobicContact CB-CG2 4.01Å; V80-V116 HydrophobicContact CG1-CB 4.15Å; V80-V116 HydrophobicContact CG1-CG2 3.75Å; V80-V116 HydrophobicContact CG2-CG2 4.31Å; F87-V116 HydrophobicContact CD1-CG1 4.12Å; F87-V116 HydrophobicContact CE1-CB 4.26Å; F87-V116 HydrophobicContact CE1-CG1 3.44Å; F87-V116 VanDerWaalsContact CE1-CG1 3.44Å; F87-V116 HydrophobicContact CZ-CB 4.08Å; F87-V116 HydrophobicContact CZ-CG1 3.71Å; F87-V116 HydrophobicContact CZ-CG2 4.47Å; H93-V116 HydrophobicContact CB-CG1 4.37Å; D94-V116 CarbonylContact O-C 3.57Å; D94-V116 VanDerWaalsContact O-CA 3.26Å; D94-V116 WeakPolarHBondContact O-CA 3.18Å; V95-V116 HydrophobicContact CG2-CG2 4.4Å; V116-G118 PolarHBondContact O-N 2.84Å; V116-I119 PolarHBondContact O-N 2.84Å; V116-L120 HydrophobicContact CB-CB 4.4Å; V116-L120 PolarHBondContact N-O 3.25Å; V116-L120 PolarHBondContact O-N 3Å
117D91.6Very high82.2Confident59 Ų5945.6 Ų45.632%0.31626%0.26SS..THydrogen-bonded Turntrans54.123.1-175.5-57.1-26.9000114.1H93 D94 I119H93-D117 WeakPolarHBondContact CA-OD1 3.14Å; H93-D117 WeakPolarHBondContact CB-OD1 3.35Å; H93-D117 IonicContact CE1-OD2 3.29Å; H93-D117 IonicContact CG-OD1 2.66Å; H93-D117 IonicContact CG-OD2 3.85Å; H93-D117 IonicContact ND1-OD1 3.17Å; H93-D117 PolarHBondContact ND1-OD1 2.92Å; H93-D117 IonicContact ND1-OD2 2.87Å; H93-D117 PolarHBondContact ND1-OD2 3.37Å; D94-D117 PolarHBondContact N-OD1 3.37Å; D94-D117 PolarHBondContact O-N 3.2Å; D117-I119 PolarHBondContact O-N 3.01Å
118G80.3Confident82.8Confident63 Ų6347.9 Ų47.965%0.64927%0.269SS*.THydrogen-bonded Turntrans670.3-178.300000115.6V116V116-G118 PolarHBondContact O-N 2.84Å
119I77.2Confident83.2Confident143 Ų14351.8 Ų51.873%0.73329%0.286SS*.THydrogen-bonded Turntrans-110.9-42.8-175.7-61.5167.6000110.5V116 D117 T121V116-I119 PolarHBondContact O-N 2.84Å; D117-I119 PolarHBondContact O-N 3.01Å; I119-T121 PolarHBondContact O-N 2.98Å
120L75.1Confident83.4Confident34 Ų3456.1 Ų56.118%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-92.2100.5-171.8-59.5175.2000109.2V80 V83 F87 S115 V116V80-L120 HydrophobicContact CG1-CB 3.67Å; V80-L120 HydrophobicContact CG1-CD1 4.46Å; V83-L120 HydrophobicContact CB-CD2 4.17Å; V83-L120 HydrophobicContact CG2-CD2 3.37Å; F87-L120 HydrophobicContact CE1-CD1 4.03Å; F87-L120 HydrophobicContact CZ-CD1 3.61Å; S115-L120 CarbonylContact C-O 3.51Å; S115-L120 WeakPolarHBondContact CA-O 3.43Å; V116-L120 HydrophobicContact CB-CB 4.4Å; V116-L120 PolarHBondContact N-O 3.25Å; V116-L120 PolarHBondContact O-N 3Å
121T78.9Confident83.4Confident79 Ų7957.6 Ų57.649%0.48531%0.31SS..EExtended strand (participates in β ladder)trans-119.3126.8-171.1-480000112.1T113 I114 I119T113-T121 HydrophobicContact CG2-CG2 3.39Å; I114-T121 CarbonylContact O-C 3.51Å; I114-T121 VanDerWaalsContact O-CA 3.28Å; I114-T121 WeakPolarHBondContact O-CA 3.49Å; I119-T121 PolarHBondContact O-N 2.98Å
122T82.6Confident83.3Confident49 Ų4962.7 Ų62.730%0.30134%0.335SS..EExtended strand (participates in β ladder)trans-117.1129.1170.9-59.70000108.9A78 T113 I114A78-T122 HydrophobicContact CB-CG2 3.99Å; T113-T122 WeakPolarHBondContact CA-O 3.46Å; I114-T122 PolarHBondContact N-O 3.06Å; I114-T122 PolarHBondContact O-N 3.49Å
123T85.5Confident83Confident78 Ų7862.7 Ų62.748%0.47934%0.335SS..EExtended strand (participates in β ladder)trans-122.6139.4178.6-58.20000110.4M111 V112 T113M111-T123 HydrophobicContact CG-CG2 3.86Å; M111-T123 HydrophobicContact SD-CG2 4.06Å; V112-T123 CarbonylContact O-C 3.56Å; V112-T123 VanDerWaalsContact O-CA 3.27Å; V112-T123 WeakPolarHBondContact O-CA 3.33Å; T113-T123 WeakPolarHBondContact OG1-CG2 3.35Å; T113-T123 PolarHBondContact OG1-OG1 3.43Å
124G84.7Confident82.8Confident13 Ų1362.9 Ų62.913%0.13434%0.342CS..EExtended strand (participates in β ladder)trans-161.7-166.5172.100000112.4M111 V112M111-G124 CarbonylContact C-O 3.6Å; M111-G124 WeakPolarHBondContact CA-O 3.22Å; V112-G124 PolarHBondContact N-O 3.41Å; V112-G124 PolarHBondContact O-N 3.01Å
125Y84.1Confident82.5Confident118 Ų11863 Ų6346%0.46334%0.343SS..EExtended strand (participates in β ladder)trans-128.2145.2-176.7-61.5-88.7000110.3F76 H109 A110 M111F76-Y125 WeakPolarHBondContact CD2-O 3.44Å; H109-Y125 HydrophobicContact CB-CD1 3.77Å; H109-Y125 HydrophobicContact CB-CE1 4.44Å; A110-Y125 WeakPolarHBondContact O-CA 3.15Å; M111-Y125 HydrophobicContact CB-CD1 3.92Å; M111-Y125 HydrophobicContact CB-CE1 3.62Å; M111-Y125 HydrophobicContact CG-CD1 4.27Å; M111-Y125 HydrophobicContact CG-CE1 3.79Å
126T78.3Confident82.2Confident5 Ų567 Ų673%0.03136%0.363CS..  trans-68.4156.4167.959.20000110.8I69 L71 F76 A110 V112I69-T126 HydrophobicContact CG2-CG2 4.34Å; L71-T126 HydrophobicContact CD1-CG2 3.76Å; L71-T126 HydrophobicContact CG-CG2 4.08Å; F76-T126 HydrophobicContact CB-CG2 3.92Å; A110-T126 HydrophobicContact CB-CG2 4.21Å; A110-T126 WeakPolarHBondContact CB-OG1 3.39Å; A110-T126 PolarHBondContact O-N 3.42Å; A110-T126 VanDerWaalsContact O-N 3.12Å; V112-T126 HydrophobicContact CG2-CG2 4.07Å
127Q73.6Confident82Confident108 Ų10868.2 Ų68.251%0.50537%0.369SS..SBendtrans-77143.9-177-59.6-17319.400111.2S73 A75S73-Q127 PolarHBondContact OG-O 3.44Å; A75-Q127 PolarHBondContact O-NE2 3.45Å
128E76.1Confident82.1Confident122 Ų12268.2 Ų68.257%0.5737%0.367SS*.SBendtrans56.9-154.4-179.9-44.1-170.7159.400114.6S73 H109S73-E128 VanDerWaalsContact CB-OE2 3.31Å; S73-E128 WeakPolarHBondContact CB-OE2 3.26Å; H109-E128 PolarHBondContact ND1-O 3.38Å
129D72.3Confident82.8Confident98 Ų9865.2 Ų65.252%0.52434%0.336SS..SBendtrans-105.6-0.8-161.3-57.1-0.6000113I107 T131I107-D129 HydrophobicContact CG2-CB 4.33Å; I107-D129 VanDerWaalsContact CG2-CG 3.5Å; I107-D129 WeakPolarHBondContact CG2-OD1 3.28Å; D129-T131 WeakPolarHBondContact O-CG2 3.36Å
130Y78.1Confident83.8Confident147 Ų14759.8 Ų59.858%0.57631%0.306SS*.  trans-75.3129.3174.9-73-104.5000110.2L71 S73L71-Y130 WeakPolarHBondContact CD1-O 3.48Å; L71-Y130 WeakPolarHBondContact O-CB 3.4Å; S73-Y130 WeakPolarHBondContact OG-CB 3.46Å
131T80.5Confident84.9Confident32 Ų3258.2 Ų58.220%0.19630%0.298CS..  trans-126-10.8-167.549.80000113.1R99 L101 G108 D129R99-T131 PolarHBondContact NH1-O 3.36Å; L101-T131 HydrophobicContact CD1-CG2 3.26Å; G108-T131 VanDerWaalsContact O-CG2 3.29Å; G108-T131 WeakPolarHBondContact O-CG2 3.44Å; D129-T131 WeakPolarHBondContact O-CG2 3.36Å
132M84.4Confident85.7Confident123 Ų12354.4 Ų54.461%0.60628%0.275SS*.  trans-101.2131-179.3-65.1-161.1-58.800111.3S28S28-M132 CarbonylContact O-C 3.48Å; S28-M132 VanDerWaalsContact O-CA 3.28Å; S28-M132 WeakPolarHBondContact O-CA 3.2Å
133L85.6Confident86.3Confident0 Ų052.1 Ų52.10%026%0.26CS..EExtended strand (participates in β ladder)trans-88118.9166.5177.868.3000107.9I26 Q27 S28 V56 L71 R99I26-L133 HydrophobicContact CG2-CD2 4.24Å; I26-L133 HydrophobicContact CG2-CG 4.4Å; Q27-L133 WeakPolarHBondContact CA-O 3.45Å; S28-L133 PolarHBondContact N-O 3.23Å; S28-L133 PolarHBondContact O-N 2.89Å; V56-L133 HydrophobicContact CG2-CD1 3.99Å; V56-L133 HydrophobicContact CG2-CD2 3.56Å; V56-L133 HydrophobicContact CG2-CG 4.44Å; L71-L133 HydrophobicContact CD2-CB 3.84Å; L71-L133 HydrophobicContact CD2-CD1 4.05Å; R99-L133 VanDerWaalsContact NH2-CB 3.34Å
134G87.2Confident86.8Confident29 Ų2948.4 Ų48.430%0.29924%0.238SC..EExtended strand (participates in β ladder)trans-107122.1174.600000111.4I26 D54I26-G134 CarbonylContact O-C 3.5Å; I26-G134 WeakPolarHBondContact O-CA 3.21Å; D54-G134 VanDerWaalsContact CB-O 3.27Å; D54-G134 WeakPolarHBondContact CB-O 3.45Å
135S88.5Confident87Confident3 Ų351.2 Ų51.22%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-146.9117.6172.4-170.80000111.3P25 I26 T49 G50P25-S135 CarbonylContact C-O 3.26Å; P25-S135 WeakPolarHBondContact CA-O 3.42Å; I26-S135 PolarHBondContact N-O 2.66Å; I26-S135 PolarHBondContact O-N 2.97Å; T49-S135 PolarHBondContact OG1-OG 2.87Å; G50-S135 WeakPolarHBondContact CA-OG 3.48Å; G50-S135 PolarHBondContact N-OG 2.76Å; G50-S135 VanDerWaalsContact N-OG 3.17Å
136D87.6Confident87.2Confident104 Ų10446.5 Ų46.556%0.55624%0.236SC*.  trans-118.211.7-177.865.5-19.1000113.1S22 P25S22-D136 VanDerWaalsContact CA-O 3.26Å; S22-D136 WeakPolarHBondContact CA-O 2.91Å; S22-D136 PolarHBondContact N-O 2.95Å; P25-D136 HydrophobicContact CB-CB 3.92Å; P25-D136 HydrophobicContact CG-CB 3.98Å
137D89.3Confident87.8Confident25 Ų2546.2 Ų46.213%0.13424%0.235CC..SBendtrans-105.7-112.4-176.1-172.357.2000111.7L21 K51L21-D137 WeakPolarHBondContact CB-O 3.44Å; L21-D137 PolarHBondContact N-O 2.05Å; K51-D137 HydrophobicContact CD-CB 3.9Å; K51-D137 WeakPolarHBondContact CE-OD1 3.36Å; K51-D137 WeakPolarHBondContact CE-OD2 2.99Å; K51-D137 HydrophobicContact CG-CB 4.2Å; K51-D137 IonicContact NZ-OD1 3.06Å; K51-D137 PolarHBondContact NZ-OD1 2.96Å; K51-D137 IonicContact NZ-OD2 3.8Å; K51-D137 PolarHBondContact NZ-OD2 2.93Å
138F93.7Very high88.4Confident59 Ų5942.2 Ų42.226%0.25922%0.22SC..EExtended strand (participates in β ladder)trans-123.1143-177.1-68.8-71.7000111.7C18 Y19 D20 T49 Y140C18-F138 HydrophobicContact CB-CB 4.22Å; C18-F138 HydrophobicContact CB-CD1 4.14Å; C18-F138 HydrophobicContact CB-CG 4.46Å; Y19-F138 WeakPolarHBondContact O-CA 3.37Å; D20-F138 HydrophobicContact CB-CD1 4.4Å; D20-F138 HydrophobicContact CB-CE1 4.07Å; T49-F138 PolarHBondContact OG1-O 3.48Å; F138-Y140 HydrophobicContact CB-CD2 4.14Å; F138-Y140 HydrophobicContact CB-CE1 4.19Å; F138-Y140 HydrophobicContact CB-CE2 3.56Å; F138-Y140 WeakPolarHBondContact CD2-OH 3.41Å
139F96Very high88.9Confident0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-99.1103.6166.9-148.6-46.8000109C18 Y19 L21 I26 L47 H48 T49 I141 Y168 L177C18-F139 CarbonylContact C-O 3.13Å; C18-F139 WeakPolarHBondContact CA-O 3.48Å; Y19-F139 PolarHBondContact N-O 3.06Å; Y19-F139 PolarHBondContact O-N 3.17Å; L21-F139 HydrophobicContact CD1-CB 4.24Å; L21-F139 HydrophobicContact CD1-CD2 4.34Å; I26-F139 HydrophobicContact CD1-CD2 3.85Å; I26-F139 HydrophobicContact CD1-CE2 3.89Å; L47-F139 HydrophobicContact CB-CE1 4.2Å; L47-F139 HydrophobicContact CD1-CE1 4.24Å; L47-F139 HydrophobicContact CD2-CE1 4.42Å; H48-F139 CarbonylContact O-C 3.59Å; T49-F139 HydrophobicContact CG2-CD2 4.08Å; T49-F139 HydrophobicContact CG2-CE1 4.36Å; T49-F139 HydrophobicContact CG2-CE2 3.82Å; T49-F139 HydrophobicContact CG2-CG 4.45Å; T49-F139 HydrophobicContact CG2-CZ 3.97Å; F139-I141 HydrophobicContact CD1-CD1 3.84Å; F139-I141 HydrophobicContact CE1-CD1 3.92Å; F139-Y168 HydrophobicContact CE2-CD1 4.45Å; F139-Y168 AromaticContact CE2-CD2 3.77Å; F139-Y168 HydrophobicContact CE2-CD2 3.77Å; F139-Y168 AromaticContact CE2-CG 3.75Å; F139-Y168 HydrophobicContact CE2-CG 3.75Å; F139-Y168 HydrophobicContact CZ-CD2 4.07Å; F139-Y168 HydrophobicContact CZ-CG 4.28Å; F139-L177 HydrophobicContact CD1-CD1 3.85Å; F139-L177 HydrophobicContact CD2-CD1 4.19Å; F139-L177 HydrophobicContact CE1-CD1 3.93Å; F139-L177 HydrophobicContact CE2-CD1 4.26Å; F139-L177 HydrophobicContact CG-CD1 4Å; F139-L177 HydrophobicContact CZ-CD1 4.14Å
140Y97.4Very high89.8Confident30 Ų3036.4 Ų36.412%0.11819%0.193CC..EExtended strand (participates in β ladder)trans-88.6132.4-178.6-65.7-78.4000111.9F16 C18 L47 H48 F138 L150F16-Y140 HydrophobicContact CD2-CD1 4.14Å; F16-Y140 HydrophobicContact CE2-CD1 4.14Å; F16-Y140 HydrophobicContact CE2-CE1 4.22Å; C18-Y140 HydrophobicContact CB-CD1 3.79Å; C18-Y140 HydrophobicContact CB-CE1 3.93Å; L47-Y140 CarbonylContact C-O 3.57Å; L47-Y140 WeakPolarHBondContact CA-O 3.42Å; L47-Y140 WeakPolarHBondContact CB-O 3.13Å; H48-Y140 PolarHBondContact N-O 2.9Å; H48-Y140 PolarHBondContact O-N 2.86Å; F138-Y140 HydrophobicContact CB-CD2 4.14Å; F138-Y140 HydrophobicContact CB-CE1 4.19Å; F138-Y140 HydrophobicContact CB-CE2 3.56Å; F138-Y140 WeakPolarHBondContact CD2-OH 3.41Å; Y140-L150 HydrophobicContact CD2-CD2 4.42Å; Y140-L150 HydrophobicContact CE2-CD2 4.35Å
141I98.1Very high90.3Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-123.6129.8175.9-54.5-56.5000110.5F11 F16 F17 L47 F139 G143 L163 V166 L177F11-I141 HydrophobicContact CZ-CG2 4.19Å; F16-I141 WeakPolarHBondContact CA-O 3.07Å; F16-I141 WeakPolarHBondContact CB-O 3.46Å; F17-I141 HydrophobicContact CD1-CB 4.09Å; F17-I141 HydrophobicContact CD1-CG2 4.33Å; F17-I141 HydrophobicContact CD2-CB 4.05Å; F17-I141 HydrophobicContact CD2-CG1 4.1Å; F17-I141 HydrophobicContact CE1-CB 3.68Å; F17-I141 HydrophobicContact CE1-CG1 4.36Å; F17-I141 HydrophobicContact CE1-CG2 3.55Å; F17-I141 HydrophobicContact CE2-CB 3.62Å; F17-I141 HydrophobicContact CE2-CG1 3.43Å; F17-I141 VanDerWaalsContact CE2-CG1 3.43Å; F17-I141 HydrophobicContact CE2-CG2 4.18Å; F17-I141 HydrophobicContact CG-CB 4.27Å; F17-I141 HydrophobicContact CZ-CB 3.43Å; F17-I141 VanDerWaalsContact CZ-CB 3.43Å; F17-I141 HydrophobicContact CZ-CG1 3.59Å; F17-I141 HydrophobicContact CZ-CG2 3.46Å; F17-I141 VanDerWaalsContact CZ-CG2 3.46Å; F17-I141 PolarHBondContact N-O 3.09Å; F17-I141 PolarHBondContact O-N 3.34Å; L47-I141 HydrophobicContact CB-CD1 3.49Å; L47-I141 VanDerWaalsContact CB-CD1 3.49Å; L47-I141 HydrophobicContact CD2-CD1 4.3Å; F139-I141 HydrophobicContact CD1-CD1 3.84Å; F139-I141 HydrophobicContact CE1-CD1 3.92Å; I141-G143 PolarHBondContact O-N 2.85Å; I141-L163 HydrophobicContact CG2-CD1 3.89Å; I141-V166 HydrophobicContact CD1-CG1 3.71Å; I141-V166 HydrophobicContact CG1-CG1 4.4Å; I141-V166 HydrophobicContact CG2-CG2 4.25Å; I141-L177 HydrophobicContact CD1-CD1 3.84Å; I141-L177 HydrophobicContact CG1-CD1 4.22Å
142G96.5Very high90.6Very high0 Ų031 Ų310%018%0.182CC..SBendtrans76.4-8.4176.400000115.6L45 M46 F159L45-G142 CarbonylContact O-C 3.59Å; L45-G142 VanDerWaalsContact O-C 3.26Å; L45-G142 WeakPolarHBondContact O-CA 3.42Å; M46-G142 PolarHBondContact O-N 2.63Å; G142-F159 WeakPolarHBondContact O-CA 3.47Å; G142-F159 WeakPolarHBondContact O-CB 3.5Å; G142-F159 PolarHBondContact O-N 2.91Å
143G96Very high90.9Very high0 Ų026 Ų260%016%0.159CC..  trans165.5-175.8179.400000111.8F16 I141 N158F16-G143 WeakPolarHBondContact CB-O 3.5Å; I141-G143 PolarHBondContact O-N 2.85Å; G143-N158 WeakPolarHBondContact CA-OD1 3.35Å
144S94.3Very high90.9Very high1 Ų127.1 Ų27.11%0.00717%0.166CC..  trans-149176.1174.287.10000110.7N146 T147 N158S144-N146 PolarHBondContact O-N 3.34Å; S144-N146 PolarHBondContact OG-N 3.45Å; S144-N146 PolarHBondContact OG-O 3.37Å; S144-N146 VanDerWaalsContact OG-O 3.13Å; S144-T147 VanDerWaalsContact OG-CA 3.28Å; S144-T147 WeakPolarHBondContact OG-CA 3.45Å; S144-T147 PolarHBondContact OG-N 2.67Å; S144-T147 VanDerWaalsContact OG-N 3.1Å; S144-T147 PolarHBondContact OG-OG1 3.1Å; S144-N158 PolarHBondContact N-OD1 2.87Å; S144-N158 PolarHBondContact O-ND2 2.83Å; S144-N158 PolarHBondContact O-OD1 2.82Å
145P90.3Very high91Very high72 Ų7225.9 Ų25.947%0.46815%0.153SC..SBendtrans-56.3-37172.4-25.534.8000113.5F16F16-P145 HydrophobicContact CE2-CG 4.33Å; F16-P145 HydrophobicContact CZ-CG 3.8Å
146N88.2Confident91.1Very high18 Ų1825.8 Ų25.810%0.09615%0.152CC..  trans-153.9104.2171.4-179.56.7000108.9S144 A148 D149S144-N146 PolarHBondContact O-N 3.34Å; S144-N146 PolarHBondContact OG-N 3.45Å; S144-N146 PolarHBondContact OG-O 3.37Å; S144-N146 VanDerWaalsContact OG-O 3.13Å; N146-A148 PolarHBondContact O-N 2.8Å; N146-A148 PolarHBondContact OD1-N 2.93Å; N146-D149 HydrophobicContact CB-CB 4.48Å; N146-D149 PolarHBondContact ND2-OD1 3.05Å; N146-D149 PolarHBondContact ND2-OD2 3.14Å; N146-D149 PolarHBondContact O-N 3.03Å; N146-D149 VanDerWaalsContact O-N 3.15Å
147T90.4Very high91.4Very high0 Ų021 Ų210%013%0.126CC..G310 helixtrans-66.9-26.1-173-73.60000112.8L45 S144 D149 L150 V155 S156 N158L45-T147 HydrophobicContact CB-CG2 3.83Å; L45-T147 HydrophobicContact CD1-CG2 4.5Å; L45-T147 HydrophobicContact CD2-CG2 4.04Å; L45-T147 HydrophobicContact CG-CG2 4.34Å; S144-T147 VanDerWaalsContact OG-CA 3.28Å; S144-T147 WeakPolarHBondContact OG-CA 3.45Å; S144-T147 PolarHBondContact OG-N 2.67Å; S144-T147 VanDerWaalsContact OG-N 3.1Å; S144-T147 PolarHBondContact OG-OG1 3.1Å; T147-D149 PolarHBondContact O-N 2.95Å; T147-L150 WeakPolarHBondContact O-CB 3.41Å; T147-L150 PolarHBondContact O-N 2.9Å; T147-V155 HydrophobicContact CG2-CG2 4.44Å; T147-V155 WeakPolarHBondContact CG2-O 3.38Å; T147-S156 WeakPolarHBondContact CB-O 3.5Å; T147-N158 PolarHBondContact OG1-OD1 2.72Å
148A85.9Confident91.7Very high23 Ų2319.9 Ų19.919%0.1912%0.12CC..G310 helixtrans-69.3-19.1176.500000113.6N146 L150 Q306N146-A148 PolarHBondContact O-N 2.8Å; N146-A148 PolarHBondContact OD1-N 2.93Å; A148-L150 VanDerWaalsContact C-N 3.27Å; A148-L150 PolarHBondContact O-N 2.93Å; A148-Q306 HydrophobicContact CB-CG 4.25Å
149D86.9Confident91.9Very high76 Ų7617.1 Ų17.141%0.40611%0.108SC..G310 helixtrans-82-9.5179.3-66-8.5000112.4N146 T147 T226N146-D149 HydrophobicContact CB-CB 4.48Å; N146-D149 PolarHBondContact ND2-OD1 3.05Å; N146-D149 PolarHBondContact ND2-OD2 3.14Å; N146-D149 PolarHBondContact O-N 3.03Å; N146-D149 VanDerWaalsContact O-N 3.15Å; T147-D149 PolarHBondContact O-N 2.95Å; D149-T226 WeakPolarHBondContact OD1-CB 2.93Å; D149-T226 WeakPolarHBondContact OD1-CG2 3.41Å; D149-T226 PolarHBondContact OD1-OG1 3.29Å; D149-T226 VanDerWaalsContact OD1-OG1 3.13Å; D149-T226 PolarHBondContact OD2-OG1 2.79Å
150L89.9Confident91.8Very high22 Ų2217.6 Ų17.612%0.11511%0.111CC..SBendtrans-79.9126.5-176.4-59.3-180000110.4L45 H48 Y140 T147 A148 G152 S153L45-L150 HydrophobicContact CD2-CD1 3.52Å; H48-L150 HydrophobicContact CB-CD1 3.82Å; Y140-L150 HydrophobicContact CD2-CD2 4.42Å; Y140-L150 HydrophobicContact CE2-CD2 4.35Å; T147-L150 WeakPolarHBondContact O-CB 3.41Å; T147-L150 PolarHBondContact O-N 2.9Å; A148-L150 VanDerWaalsContact C-N 3.27Å; A148-L150 PolarHBondContact O-N 2.93Å; L150-G152 PolarHBondContact O-N 2.66Å; L150-S153 VanDerWaalsContact O-CB 3.3Å; L150-S153 WeakPolarHBondContact O-CB 3.45Å; L150-S153 PolarHBondContact O-N 3.34Å; L150-S153 VanDerWaalsContact O-N 3.09Å
151P88.9Confident91.7Very high36 Ų3616.2 Ų16.223%0.23411%0.106CC..THydrogen-bonded Turntrans-61.4134.6-177.326.8-35.6000111.2H48 Y55 S153H48-P151 PolarHBondContact CE1-O 2.02Å; H48-P151 VanDerWaalsContact CE1-O 3.25Å; Y55-P151 HydrophobicContact CD1-CB 3.62Å; Y55-P151 HydrophobicContact CD1-CG 3.75Å; Y55-P151 WeakPolarHBondContact CD2-O 3.3Å; Y55-P151 HydrophobicContact CE1-CB 3.69Å; Y55-P151 HydrophobicContact CE1-CG 4.34Å; Y55-P151 HydrophobicContact CG-CB 4.21Å; Y55-P151 HydrophobicContact CG-CG 4.04Å; P151-S153 PolarHBondContact O-N 2.93Å
152G87.2Confident91.7Very high30 Ų3016.3 Ų16.331%0.30911%0.107SC..THydrogen-bonded Turntrans69.49.2-178.100000115.3V68 L150 P154V68-G152 WeakPolarHBondContact CG2-O 3.45Å; L150-G152 PolarHBondContact O-N 2.66Å; G152-P154 WeakPolarHBondContact O-CD 3.24Å
153S90Very high91.8Very high17 Ų1716.4 Ų16.412%0.11911%0.107CC..  trans-71.7121.5173.5-168.90000110.8N57 L150 P151 V155N57-S153 WeakPolarHBondContact ND2-CA 3.42Å; N57-S153 WeakPolarHBondContact ND2-CB 3.17Å; N57-S153 PolarHBondContact ND2-OG 3.09Å; L150-S153 VanDerWaalsContact O-CB 3.3Å; L150-S153 WeakPolarHBondContact O-CB 3.45Å; L150-S153 PolarHBondContact O-N 3.34Å; L150-S153 VanDerWaalsContact O-N 3.09Å; P151-S153 PolarHBondContact O-N 2.93Å; S153-V155 VanDerWaalsContact C-N 3.3Å; S153-V155 PolarHBondContact OG-O 2.86Å
154P86.1Confident91.8Very high25 Ų2517.7 Ų17.716%0.16211%0.112CC..SBendtrans-88.91179.339-39000113N57 S59 K61 W66 G152N57-P154 WeakPolarHBondContact OD1-CD 3.27Å; S59-P154 WeakPolarHBondContact OG-CD 3.48Å; S59-P154 WeakPolarHBondContact OG-CG 3.43Å; K61-P154 HydrophobicContact CD-CB 3.92Å; K61-P154 HydrophobicContact CD-CG 4.41Å; W66-P154 HydrophobicContact CB-CG 4.23Å; W66-P154 HydrophobicContact CG-CB 4.4Å; W66-P154 HydrophobicContact CG-CG 3.88Å; G152-P154 WeakPolarHBondContact O-CD 3.24Å
155V90.1Very high91.8Very high3 Ų320.6 Ų20.62%0.01813%0.128CC..  trans-134.1157.7-179.4-65.20000109.8N43 L60 K61 T147 S153N43-V155 HydrophobicContact CB-CG1 4.23Å; L60-V155 WeakPolarHBondContact O-CG1 3.36Å; K61-V155 HydrophobicContact CB-CG1 3.95Å; K61-V155 HydrophobicContact CG-CG1 3.98Å; T147-V155 HydrophobicContact CG2-CG2 4.44Å; T147-V155 WeakPolarHBondContact CG2-O 3.38Å; S153-V155 VanDerWaalsContact C-N 3.3Å; S153-V155 PolarHBondContact OG-O 2.86Å
156S90.9Very high92.1Very high0 Ų017.3 Ų17.30%011%0.107CC..  trans-105.5-7.917556.50000113.3T147 D304 G376T147-S156 WeakPolarHBondContact CB-O 3.5Å; S156-D304 PolarHBondContact OG-OD1 3.11Å; S156-G376 WeakPolarHBondContact O-CA 3.41Å; S156-G376 PolarHBondContact O-N 3.09Å
157N93.8Very high92.6Very high4 Ų417.4 Ų17.42%0.02111%0.108CC..PPolyproline II helixtrans-88.7139-170.9-51.480.3000113.1N43 G44 L45 S230 F373N43-N157 HydrophobicContact CB-CB 4.38Å; G44-N157 WeakPolarHBondContact CA-O 3.46Å; L45-N157 PolarHBondContact N-O 2.84Å; N157-S230 PolarHBondContact ND2-OG 2.81Å; N157-F373 HydrophobicContact CB-CD1 4.12Å; N157-F373 HydrophobicContact CB-CE1 4.11Å; N157-F373 HydrophobicContact CB-CG 4.45Å; N157-F373 HydrophobicContact CB-CZ 4.45Å; N157-F373 WeakPolarHBondContact ND2-CD2 3.14Å; N157-F373 WeakPolarHBondContact ND2-CE2 3.23Å; N157-F373 WeakPolarHBondContact ND2-CG 3.1Å
158N95.7Very high92.9Very high1 Ų117.4 Ų17.41%0.00511%0.108CC..BIsolated β-bridgetrans-70.4158.6160.7-66.7-19.8000110.7G13 G143 S144 T147 G376G13-N158 WeakPolarHBondContact O-CB 3.16Å; G143-N158 WeakPolarHBondContact CA-OD1 3.35Å; S144-N158 PolarHBondContact N-OD1 2.87Å; S144-N158 PolarHBondContact O-ND2 2.83Å; S144-N158 PolarHBondContact O-OD1 2.82Å; T147-N158 PolarHBondContact OG1-OD1 2.72Å; N158-G376 WeakPolarHBondContact CB-O 3.23Å; N158-G376 PolarHBondContact N-O 2.82Å; N158-G376 PolarHBondContact ND2-O 2.83Å
159F96.2Very high93.3Very high2 Ų221.1 Ų21.11%0.00912%0.12CC..PPolyproline II helixtrans-71.7140.5-179.2-162.2-108.5000111.9F11 G13 F37 T39 L45 M46 G142 L163F11-F159 HydrophobicContact CB-CD1 4.24Å; F11-F159 WeakPolarHBondContact CB-O 3.48Å; F11-F159 HydrophobicContact CD2-CD1 4.24Å; F11-F159 HydrophobicContact CG-CD1 4.42Å; G13-F159 WeakPolarHBondContact CA-O 3.36Å; G13-F159 PolarHBondContact N-O 3.39Å; F37-F159 HydrophobicContact CB-CZ 3.96Å; F37-F159 HydrophobicContact CD2-CZ 4.47Å; T39-F159 HydrophobicContact CG2-CE2 4.18Å; T39-F159 HydrophobicContact CG2-CZ 4.11Å; L45-F159 WeakPolarHBondContact O-CB 3.5Å; M46-F159 HydrophobicContact CE-CE2 4.34Å; M46-F159 HydrophobicContact CG-CD2 4.14Å; M46-F159 HydrophobicContact CG-CE2 4.05Å; G142-F159 WeakPolarHBondContact O-CA 3.47Å; G142-F159 WeakPolarHBondContact O-CB 3.5Å; G142-F159 PolarHBondContact O-N 2.91Å; F159-L163 HydrophobicContact CD1-CD1 4.2Å; F159-L163 HydrophobicContact CD1-CD2 4.12Å; F159-L163 HydrophobicContact CD1-CG 3.88Å; F159-L163 HydrophobicContact CE1-CD2 3.66Å; F159-L163 HydrophobicContact CE1-CG 3.76Å; F159-L163 HydrophobicContact CE2-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CD2 3.81Å; F159-L163 HydrophobicContact CZ-CG 4.42Å
160M95.4Very high93.5Very high9 Ų917.9 Ų17.94%0.04410%0.102CC..EExtended strand (participates in β ladder)trans-123.5117.4166.2-59.5-175.962.600108.8F11 T39 Q41 V201 L204 F373 S378F11-M160 CarbonylContact O-C 3.57Å; F11-M160 VanDerWaalsContact O-CA 3.3Å; F11-M160 WeakPolarHBondContact O-CA 3.4Å; T39-M160 WeakPolarHBondContact CB-O 3.27Å; T39-M160 PolarHBondContact OG1-O 2.86Å; Q41-M160 HydrophobicContact CG-CB 3.73Å; Q41-M160 HydrophobicContact CG-CG 4.2Å; Q41-M160 HydrophobicContact CG-SD 4.11Å; M160-V201 HydrophobicContact CB-CG1 4.17Å; M160-V201 HydrophobicContact CE-CG1 4.01Å; M160-L204 HydrophobicContact CE-CD2 4.45Å; M160-L204 HydrophobicContact CE-CG 4.17Å; M160-F373 HydrophobicContact CG-CZ 4.27Å; M160-F373 HydrophobicContact SD-CE1 4.3Å; M160-F373 HydrophobicContact SD-CZ 3.66Å; M160-S378 PolarHBondContact SD-OG 3.39Å
161G95.8Very high93.2Very high2 Ų222.8 Ų22.82%0.02113%0.129CC..EExtended strand (participates in β ladder)trans145.5-160.7-174.100000111.9F11 R38F11-G161 PolarHBondContact N-O 2.96Å; F11-G161 PolarHBondContact O-N 2.81Å; R38-G161 CarbonylContact O-C 3.6Å; R38-G161 WeakPolarHBondContact O-CA 3.32Å
162C97.5Very high93Very high2 Ų227.1 Ų27.11%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-109.7138.4175.6-53.60000110.9V8 A9 F37 R38 W92 C198V8-C162 HydrophobicContact CG2-CB 4.16Å; A9-C162 VanDerWaalsContact O-CA 3.29Å; A9-C162 WeakPolarHBondContact O-CA 3.41Å; F37-C162 CarbonylContact C-O 3.56Å; F37-C162 WeakPolarHBondContact CA-O 3.44Å; R38-C162 HydrophobicContact CB-CB 4.32Å; R38-C162 PolarHBondContact N-O 2.95Å; R38-C162 PolarHBondContact O-N 3.07Å; W92-C162 HydrophobicContact CH2-CB 3.47Å; W92-C162 VanDerWaalsContact CH2-CB 3.47Å; W92-C162 HydrophobicContact CZ2-CB 4.01Å; W92-C162 HydrophobicContact CZ3-CB 4.2Å; C162-C198 HydrophobicContact CB-CB 3.88Å; C162-C198 WeakPolarHBondContact CB-SG 3.42Å; C162-C198 WeakPolarHBondContact SG-CA 3.33Å; C162-C198 WeakPolarHBondContact SG-CB 3.47Å; C162-C198 CovalentContact SG-SG 2.05Å; C162-C198 PolarHBondContact SG-SG 2.75Å
163L98Very high93.2Very high2 Ų228.5 Ų28.51%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-116.9135164.9-60.1172.9000108.4A9 F11 L35 S36 F37 M46 I141 F159 V166A9-L163 PolarHBondContact N-O 2.99Å; A9-L163 PolarHBondContact O-N 2.96Å; F11-L163 HydrophobicContact CD2-CB 4.44Å; F11-L163 HydrophobicContact CD2-CD1 4.27Å; F11-L163 HydrophobicContact CD2-CG 4.18Å; F11-L163 HydrophobicContact CE2-CB 3.77Å; F11-L163 HydrophobicContact CE2-CD1 3.81Å; F11-L163 HydrophobicContact CE2-CG 3.86Å; F11-L163 HydrophobicContact CZ-CD1 4.09Å; L35-L163 HydrophobicContact CD1-CD2 4.43Å; S36-L163 WeakPolarHBondContact O-CA 3.03Å; F37-L163 HydrophobicContact CB-CD2 3.56Å; M46-L163 HydrophobicContact CB-CD2 4.46Å; M46-L163 HydrophobicContact CG-CD2 4.38Å; I141-L163 HydrophobicContact CG2-CD1 3.89Å; F159-L163 HydrophobicContact CD1-CD1 4.2Å; F159-L163 HydrophobicContact CD1-CD2 4.12Å; F159-L163 HydrophobicContact CD1-CG 3.88Å; F159-L163 HydrophobicContact CE1-CD2 3.66Å; F159-L163 HydrophobicContact CE1-CG 3.76Å; F159-L163 HydrophobicContact CE2-CD2 4.37Å; F159-L163 HydrophobicContact CZ-CD2 3.81Å; F159-L163 HydrophobicContact CZ-CG 4.42Å; L163-V166 HydrophobicContact CB-CG2 4.1Å
164K95.5Very high93.4Very high26 Ų2633 Ų3311%0.11317%0.165CC..EExtended strand (participates in β ladder)trans-131.1156.1173.575.5176.9-174.71770112.4E6 S7 V8 S36 W92 V166E6-K164 IonicContact OE1-NZ 2.74Å; E6-K164 PolarHBondContact OE1-NZ 3.3Å; E6-K164 IonicContact OE2-NZ 3.96Å; S7-K164 CarbonylContact O-C 3.52Å; S7-K164 VanDerWaalsContact O-CA 3.24Å; S7-K164 WeakPolarHBondContact O-CA 3.39Å; V8-K164 HydrophobicContact CB-CB 3.69Å; V8-K164 HydrophobicContact CG2-CB 3.84Å; S36-K164 PolarHBondContact N-O 3.27Å; S36-K164 PolarHBondContact O-N 2.98Å; W92-K164 HydrophobicContact CD2-CD 4.39Å; W92-K164 HydrophobicContact CE3-CD 4.18Å; W92-K164 HydrophobicContact CE3-CG 4.14Å; W92-K164 HydrophobicContact CH2-CB 3.91Å; W92-K164 HydrophobicContact CH2-CD 3.81Å; W92-K164 HydrophobicContact CH2-CG 3.78Å; W92-K164 HydrophobicContact CZ2-CD 4.03Å; W92-K164 HydrophobicContact CZ2-CG 4.49Å; W92-K164 HydrophobicContact CZ3-CB 4.08Å; W92-K164 HydrophobicContact CZ3-CD 3.91Å; W92-K164 HydrophobicContact CZ3-CG 3.59Å; K164-V166 PolarHBondContact O-N 3.22Å; K164-V166 VanDerWaalsContact O-N 3.16Å
165D95.1Very high93.8Very high63 Ų6332.4 Ų32.434%0.33716%0.16SC..EExtended strand (participates in β ladder)trans50.242.1173.2-58.1-36.5000113S7 V167S7-D165 PolarHBondContact N-OD1 3.24Å; S7-D165 PolarHBondContact O-N 3.03Å; D165-V167 PolarHBondContact O-N 2.97Å
166V97.4Very high94Very high2 Ų234.9 Ų34.91%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-71111.6176-173.80000108.4T34 L35 L47 I141 L163 K164 L177 S178T34-V166 CarbonylContact O-C 3.49Å; T34-V166 WeakPolarHBondContact O-CA 3.1Å; L35-V166 HydrophobicContact CB-CB 4.36Å; L35-V166 HydrophobicContact CB-CG1 4.49Å; L35-V166 HydrophobicContact CB-CG2 3.88Å; L47-V166 HydrophobicContact CD2-CG1 4.14Å; I141-V166 HydrophobicContact CD1-CG1 3.71Å; I141-V166 HydrophobicContact CG1-CG1 4.4Å; I141-V166 HydrophobicContact CG2-CG2 4.25Å; L163-V166 HydrophobicContact CB-CG2 4.1Å; K164-V166 PolarHBondContact O-N 3.22Å; K164-V166 VanDerWaalsContact O-N 3.16Å; V166-L177 HydrophobicContact CG1-CB 4.35Å; V166-L177 HydrophobicContact CG1-CD1 4.32Å; V166-L177 PolarHBondContact O-N 3Å; V166-S178 VanDerWaalsContact CB-OG 3.3Å; V166-S178 WeakPolarHBondContact CB-OG 3.42Å; V166-S178 WeakPolarHBondContact CG2-OG 3.27Å; V166-S178 PolarHBondContact N-OG 2.88Å; V166-S178 PolarHBondContact O-N 2.9Å
167V97.4Very high94.3Very high20 Ų2035 Ų3512%0.12117%0.172CC..EExtended strand (participates in β ladder)trans-130.2131.7-177.1-179.30000109.4I33 T34 D165 K174 L175 E176I33-V167 WeakPolarHBondContact CA-O 3.49Å; T34-V167 PolarHBondContact N-O 3.26Å; T34-V167 PolarHBondContact O-N 3.44Å; D165-V167 PolarHBondContact O-N 2.97Å; V167-K174 HydrophobicContact CG1-CG 4.05Å; V167-L175 WeakPolarHBondContact CA-O 3.2Å; V167-E176 HydrophobicContact CG2-CG 4.27Å
168Y96.6Very high94.4Very high1 Ų135.1 Ų35.10%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-111131.7164.3173.3-88.3000108.8I26 S28 D31 I33 F139 N170 F173 L175I26-Y168 HydrophobicContact CD1-CD1 4.38Å; I26-Y168 HydrophobicContact CD1-CE1 3.97Å; I26-Y168 HydrophobicContact CD1-CE2 4.41Å; I26-Y168 HydrophobicContact CG1-CE1 4.07Å; I26-Y168 HydrophobicContact CG2-CE1 4.34Å; I26-Y168 WeakPolarHBondContact CG2-OH 3.36Å; S28-Y168 WeakPolarHBondContact CB-OH 3.29Å; D31-Y168 HydrophobicContact CB-CE2 3.76Å; D31-Y168 PolarHBondContact OD2-OH 2.98Å; I33-Y168 HydrophobicContact CD1-CD2 4.28Å; I33-Y168 HydrophobicContact CG1-CD2 3.86Å; F139-Y168 HydrophobicContact CE2-CD1 4.45Å; F139-Y168 AromaticContact CE2-CD2 3.77Å; F139-Y168 HydrophobicContact CE2-CD2 3.77Å; F139-Y168 AromaticContact CE2-CG 3.75Å; F139-Y168 HydrophobicContact CE2-CG 3.75Å; F139-Y168 HydrophobicContact CZ-CD2 4.07Å; F139-Y168 HydrophobicContact CZ-CG 4.28Å; Y168-N170 HydrophobicContact CE1-CB 4.2Å; Y168-F173 HydrophobicContact CD1-CE2 4.16Å; Y168-F173 AromaticContact CE1-CE2 3.98Å; Y168-F173 HydrophobicContact CE1-CE2 3.98Å; Y168-F173 HydrophobicContact CE1-CZ 4.38Å; Y168-L175 HydrophobicContact CD1-CD1 4.36Å; Y168-L175 PolarHBondContact N-O 2.78Å; Y168-L175 PolarHBondContact O-N 3.41Å
169K94.8Very high94.4Very high100 Ų10041.1 Ų41.144%0.43520%0.196SC..EExtended strand (participates in β ladder)trans-136.3132.9179.8179.5-172.1168.8-160.50109.8D31 E32 K174D31-K169 CarbonylContact C-O 3.6Å; D31-K169 WeakPolarHBondContact CA-O 3.18Å; D31-K169 WeakPolarHBondContact CB-O 3.33Å; E32-K169 PolarHBondContact N-O 3.05Å; E32-K169 PolarHBondContact O-N 3.08Å; K169-K174 HydrophobicContact CB-CG 4.3Å; K169-K174 HydrophobicContact CG-CB 4.43Å; K169-K174 HydrophobicContact CG-CG 4.38Å
170N90.6Very high94.4Very high9 Ų942.8 Ų42.85%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-123.7-164.8164.668.83.7000109.5T30 D31 Y168 D172 F173T30-N170 WeakPolarHBondContact O-CA 3.36Å; T30-N170 WeakPolarHBondContact O-CB 3.48Å; D31-N170 HydrophobicContact CB-CB 4.35Å; Y168-N170 HydrophobicContact CE1-CB 4.2Å; N170-D172 VanDerWaalsContact C-N 3.31Å; N170-D172 PolarHBondContact OD1-N 2.98Å; N170-F173 PolarHBondContact N-O 2.99Å; N170-F173 PolarHBondContact OD1-N 2.94Å; N170-F173 PolarHBondContact OD1-O 2.82Å
171N83.8Confident94.4Very high124 Ų12442.3 Ų42.366%0.66320%0.203SC*.SBendtrans-71.9-25.1179.2-66.4-26.8000113.6T30T30-N171 VanDerWaalsContact OG1-CG 3.27Å; T30-N171 PolarHBondContact OG1-ND2 3.24Å; T30-N171 PolarHBondContact OG1-OD1 3.06Å
172D85.9Confident94.3Very high128 Ų12845.1 Ų45.168%0.68422%0.216SC*.SBendtrans-95-38.1-170.8-57.4-49.4000112.2N170N170-D172 VanDerWaalsContact C-N 3.31Å; N170-D172 PolarHBondContact OD1-N 2.98Å
173F90.1Very high94.2Very high58 Ų5849.9 Ų49.925%0.25424%0.242SC..  trans-151.6164.1-176.159.9-96.6000113.2I26 Y168 N170 L175I26-F173 HydrophobicContact CG1-CE2 4.42Å; I26-F173 HydrophobicContact CG1-CZ 3.91Å; Y168-F173 HydrophobicContact CD1-CE2 4.16Å; Y168-F173 AromaticContact CE1-CE2 3.98Å; Y168-F173 HydrophobicContact CE1-CE2 3.98Å; Y168-F173 HydrophobicContact CE1-CZ 4.38Å; N170-F173 PolarHBondContact N-O 2.99Å; N170-F173 PolarHBondContact OD1-N 2.94Å; N170-F173 PolarHBondContact OD1-O 2.82Å; F173-L175 HydrophobicContact CD2-CD1 4.28Å; F173-L175 HydrophobicContact CD2-CD2 3.89Å; F173-L175 HydrophobicContact CD2-CG 3.72Å; F173-L175 HydrophobicContact CE2-CD1 3.76Å; F173-L175 HydrophobicContact CE2-CD2 4.16Å; F173-L175 HydrophobicContact CE2-CG 3.73Å
174K94.3Very high94Very high111 Ų11158.2 Ų58.248%0.48327%0.273SS..EExtended strand (participates in β ladder)trans-125.8119.9176.2-174.7-168.6-176.3-163.70108.9V167 K169 E176V167-K174 HydrophobicContact CG1-CG 4.05Å; K169-K174 HydrophobicContact CB-CG 4.3Å; K169-K174 HydrophobicContact CG-CB 4.43Å; K169-K174 HydrophobicContact CG-CG 4.38Å; K174-E176 HydrophobicContact CD-CG 4.26Å; K174-E176 WeakPolarHBondContact CE-OE1 3.11Å; K174-E176 HydrophobicContact CG-CG 4.47Å; K174-E176 IonicContact NZ-OE1 2.75Å; K174-E176 PolarHBondContact NZ-OE1 3.43Å
175L94.6Very high94Very high13 Ų1359.3 Ų59.37%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-101.8108.1173.8-57-179.2000109.2Y19 L21 V167 Y168 F173 L177Y19-L175 HydrophobicContact CD1-CD1 4.19Å; Y19-L175 HydrophobicContact CE1-CD1 3.99Å; Y19-L175 HydrophobicContact CE1-CD2 4.23Å; L21-L175 HydrophobicContact CD2-CD1 4.32Å; V167-L175 WeakPolarHBondContact CA-O 3.2Å; Y168-L175 HydrophobicContact CD1-CD1 4.36Å; Y168-L175 PolarHBondContact N-O 2.78Å; Y168-L175 PolarHBondContact O-N 3.41Å; F173-L175 HydrophobicContact CD2-CD1 4.28Å; F173-L175 HydrophobicContact CD2-CD2 3.89Å; F173-L175 HydrophobicContact CD2-CG 3.72Å; F173-L175 HydrophobicContact CE2-CD1 3.76Å; F173-L175 HydrophobicContact CE2-CD2 4.16Å; F173-L175 HydrophobicContact CE2-CG 3.73Å; L175-L177 VanDerWaalsContact C-N 3.27Å; L175-L177 HydrophobicContact CB-CD2 4.02Å; L175-L177 HydrophobicContact CB-CG 4.06Å; L175-L177 HydrophobicContact CD1-CD2 4.32Å; L175-L177 PolarHBondContact O-N 2.93Å
176E95.7Very high94Very high56 Ų5662.5 Ų62.526%0.26230%0.304SS..  trans-85.971.2169.4-62.2-171.914300108.9V167 K174 S178 R179 L180V167-E176 HydrophobicContact CG2-CG 4.27Å; K174-E176 HydrophobicContact CD-CG 4.26Å; K174-E176 WeakPolarHBondContact CE-OE1 3.11Å; K174-E176 HydrophobicContact CG-CG 4.47Å; K174-E176 IonicContact NZ-OE1 2.75Å; K174-E176 PolarHBondContact NZ-OE1 3.43Å; E176-S178 VanDerWaalsContact C-N 3.32Å; E176-S178 PolarHBondContact O-N 2.84Å; E176-R179 HydrophobicContact CB-CB 3.99Å; E176-R179 WeakPolarHBondContact O-CA 3.28Å; E176-R179 WeakPolarHBondContact O-CB 3.36Å; E176-R179 PolarHBondContact O-N 2.75Å; E176-L180 WeakPolarHBondContact O-CG 3.27Å; E176-L180 PolarHBondContact O-N 2.87Å
177L96.4Very high93.9Very high1 Ų165 Ų651%0.00532%0.315CS..Hα-helixtrans-54.3-41.9-168.6-67.6171.4000113.3F17 Y19 F139 I141 V166 L175 R179 L180 A181F17-L177 HydrophobicContact CE2-CB 4.25Å; Y19-L177 HydrophobicContact CD2-CD2 4.3Å; Y19-L177 HydrophobicContact CG-CD2 4Å; F139-L177 HydrophobicContact CD1-CD1 3.85Å; F139-L177 HydrophobicContact CD2-CD1 4.19Å; F139-L177 HydrophobicContact CE1-CD1 3.93Å; F139-L177 HydrophobicContact CE2-CD1 4.26Å; F139-L177 HydrophobicContact CG-CD1 4Å; F139-L177 HydrophobicContact CZ-CD1 4.14Å; I141-L177 HydrophobicContact CD1-CD1 3.84Å; I141-L177 HydrophobicContact CG1-CD1 4.22Å; V166-L177 HydrophobicContact CG1-CB 4.35Å; V166-L177 HydrophobicContact CG1-CD1 4.32Å; V166-L177 PolarHBondContact O-N 3Å; L175-L177 VanDerWaalsContact C-N 3.27Å; L175-L177 HydrophobicContact CB-CD2 4.02Å; L175-L177 HydrophobicContact CB-CG 4.06Å; L175-L177 HydrophobicContact CD1-CD2 4.32Å; L175-L177 PolarHBondContact O-N 2.93Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 2.68Å; L177-L180 PolarHBondContact O-N 2.99Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.28Å
178S95.4Very high93.8Very high7 Ų764.9 Ų64.95%0.04931%0.314CS..Hα-helixtrans-60.5-41.6174.8-67.90000112.6S7 V166 E176 I182S7-S178 VanDerWaalsContact O-CB 3.31Å; S7-S178 WeakPolarHBondContact O-CB 3.3Å; V166-S178 VanDerWaalsContact CB-OG 3.3Å; V166-S178 WeakPolarHBondContact CB-OG 3.42Å; V166-S178 WeakPolarHBondContact CG2-OG 3.27Å; V166-S178 PolarHBondContact N-OG 2.88Å; V166-S178 PolarHBondContact O-N 2.9Å; E176-S178 VanDerWaalsContact C-N 3.32Å; E176-S178 PolarHBondContact O-N 2.84Å; S178-I182 WeakPolarHBondContact O-CG1 3.32Å; S178-I182 PolarHBondContact O-N 3.36Å
179R95.4Very high93.8Very high128 Ų12868.1 Ų68.148%0.48333%0.333SS..Hα-helixtrans-71.8-44.4-179.9-175.2180-179.5149.49.5111.5E176 L177 A181 I182 D183E176-R179 HydrophobicContact CB-CB 3.99Å; E176-R179 WeakPolarHBondContact O-CA 3.28Å; E176-R179 WeakPolarHBondContact O-CB 3.36Å; E176-R179 PolarHBondContact O-N 2.75Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-R179 PolarHBondContact O-N 2.68Å; R179-A181 PolarHBondContact O-N 3.19Å; R179-I182 WeakPolarHBondContact O-CB 3.37Å; R179-I182 PolarHBondContact O-N 2.82Å; R179-I182 VanDerWaalsContact O-N 3.08Å; R179-D183 IonicContact NE-OD2 3.87Å; R179-D183 WeakPolarHBondContact O-CB 3.36Å; R179-D183 PolarHBondContact O-N 3.43Å
180L95.7Very high93.9Very high36 Ų3665.6 Ų65.619%0.18833%0.325CS..Hα-helixtrans-58.1-35.4176-67.4171.5000111.7Y19 E176 L177 R184 D185 I188Y19-L180 HydrophobicContact CD2-CD1 4.34Å; Y19-L180 HydrophobicContact CE2-CD1 4.01Å; E176-L180 WeakPolarHBondContact O-CG 3.27Å; E176-L180 PolarHBondContact O-N 2.87Å; L177-L180 PolarHBondContact O-N 2.99Å; L180-R184 PolarHBondContact O-N 3Å; L180-D185 HydrophobicContact CB-CB 4.1Å; L180-D185 HydrophobicContact CD2-CB 4.02Å; L180-D185 PolarHBondContact O-N 3.16Å; L180-I188 HydrophobicContact CB-CD1 4.33Å; L180-I188 HydrophobicContact CB-CG1 4.02Å
181A95.5Very high94.2Very high0 Ų068.5 Ų68.50%034%0.338CS..Hα-helixtrans-68.7-41.6174.700000112.9F17 L177 R179 R184 I188 L190 F196F17-A181 HydrophobicContact CD1-CB 4.29Å; F17-A181 HydrophobicContact CD2-CB 4.03Å; F17-A181 HydrophobicContact CE1-CB 4.16Å; F17-A181 HydrophobicContact CE2-CB 3.92Å; F17-A181 HydrophobicContact CG-CB 4.2Å; F17-A181 HydrophobicContact CZ-CB 3.98Å; L177-A181 WeakPolarHBondContact O-CB 3.39Å; L177-A181 PolarHBondContact O-N 3.28Å; R179-A181 PolarHBondContact O-N 3.19Å; A181-R184 PolarHBondContact O-N 3.46Å; A181-I188 HydrophobicContact CB-CG2 4.22Å; A181-L190 HydrophobicContact CB-CD2 4.19Å; A181-F196 HydrophobicContact CB-CE1 3.82Å; A181-F196 HydrophobicContact CB-CZ 4.08Å; A181-F196 WeakPolarHBondContact O-CZ 3.38Å
182I94.3Very high94.5Very high60 Ų6065.1 Ų65.131%0.30833%0.332SS..Hα-helixtrans-62.4-46.1175-67.9165.2000110.6S178 R179 R184 F196S178-I182 WeakPolarHBondContact O-CG1 3.32Å; S178-I182 PolarHBondContact O-N 3.36Å; R179-I182 WeakPolarHBondContact O-CB 3.37Å; R179-I182 PolarHBondContact O-N 2.82Å; R179-I182 VanDerWaalsContact O-N 3.08Å; I182-R184 PolarHBondContact O-N 3.06Å; I182-F196 HydrophobicContact CB-CD1 4.32Å; I182-F196 HydrophobicContact CD1-CD1 4.35Å; I182-F196 HydrophobicContact CG1-CB 4.06Å; I182-F196 HydrophobicContact CG1-CD1 3.31Å; I182-F196 HydrophobicContact CG1-CE1 3.83Å; I182-F196 HydrophobicContact CG1-CG 3.78Å
183D95.3Very high94.8Very high103 Ų10365.9 Ų65.955%0.55134%0.336SS*.THydrogen-bonded Turntrans-73.9-6.7-179.4-67.3-18.6000112.6R179R179-D183 IonicContact NE-OD2 3.87Å; R179-D183 WeakPolarHBondContact O-CB 3.36Å; R179-D183 PolarHBondContact O-N 3.43Å
184R93.9Very high94.9Very high176 Ų17664 Ų6466%0.66433%0.328SS*.THydrogen-bonded Turntrans53.550.4-177.5-61.2179.6174.1-97.5-2112.4L180 A181 I182L180-R184 PolarHBondContact O-N 3Å; A181-R184 PolarHBondContact O-N 3.46Å; I182-R184 PolarHBondContact O-N 3.06Å
185D96.3Very high94.9Very high49 Ų4960 Ų6026%0.26231%0.314SS..  trans-51.4139.1175.1-173.2-78.9000110.8L180 K187 I188L180-D185 HydrophobicContact CB-CB 4.1Å; L180-D185 HydrophobicContact CD2-CB 4.02Å; L180-D185 PolarHBondContact O-N 3.16Å; D185-K187 PolarHBondContact O-N 3.34Å; D185-K187 WeakPolarHBondContact OD1-CB 3.49Å; D185-K187 PolarHBondContact OD1-N 3.13Å; D185-I188 HydrophobicContact CB-CG1 4.11Å; D185-I188 WeakPolarHBondContact O-CB 3.4Å; D185-I188 PolarHBondContact O-N 3.4Å
186P94.6Very high94.9Very high130 Ų13062.3 Ų62.384%0.84432%0.323SS*.THydrogen-bonded Turntrans-56.9-21-178.6-26.534.8000115.4
187K95.1Very high94.8Very high55 Ų5566.7 Ų66.724%0.23934%0.337CS..THydrogen-bonded Turntrans-87.6-7.8176-63.7179.9175-174.70113.5Y19 D20 T24 D185Y19-K187 WeakPolarHBondContact CA-O 2.99Å; Y19-K187 HydrophobicContact CD2-CB 3.92Å; Y19-K187 HydrophobicContact CE1-CD 4.33Å; Y19-K187 HydrophobicContact CE2-CB 3.57Å; Y19-K187 HydrophobicContact CE2-CD 3.91Å; Y19-K187 HydrophobicContact CE2-CG 4.41Å; Y19-K187 VanDerWaalsContact OH-CD 3.23Å; Y19-K187 WeakPolarHBondContact OH-CD 3.39Å; D20-K187 PolarHBondContact N-O 3.1Å; T24-K187 PolarHBondContact OG1-NZ 3.22Å; T24-K187 VanDerWaalsContact OG1-NZ 3.12Å; D185-K187 PolarHBondContact O-N 3.34Å; D185-K187 WeakPolarHBondContact OD1-CB 3.49Å; D185-K187 PolarHBondContact OD1-N 3.13Å
188I96.3Very high94.6Very high18 Ų1868.6 Ų68.69%0.09235%0.35CS..EExtended strand (participates in β ladder)trans-91.7129.2175.1-65.9-76.4000109.9F17 C18 Y19 L180 A181 D185 L190F17-I188 HydrophobicContact CB-CG2 4.34Å; F17-I188 HydrophobicContact CD2-CD1 4.02Å; F17-I188 HydrophobicContact CD2-CG2 4.4Å; F17-I188 HydrophobicContact CE2-CD1 4.3Å; C18-I188 WeakPolarHBondContact O-CA 3.26Å; Y19-I188 HydrophobicContact CD2-CD1 3.66Å; Y19-I188 HydrophobicContact CD2-CG1 4.01Å; Y19-I188 HydrophobicContact CG-CD1 4.2Å; L180-I188 HydrophobicContact CB-CD1 4.33Å; L180-I188 HydrophobicContact CB-CG1 4.02Å; A181-I188 HydrophobicContact CB-CG2 4.22Å; D185-I188 HydrophobicContact CB-CG1 4.11Å; D185-I188 WeakPolarHBondContact O-CB 3.4Å; D185-I188 PolarHBondContact O-N 3.4Å; I188-L190 HydrophobicContact CG2-CD2 3.63Å; I188-L190 HydrophobicContact CG2-CG 4.26Å
189T96.6Very high94.5Very high68 Ų6870.7 Ų70.742%0.41736%0.359SS..EExtended strand (participates in β ladder)trans-108.4124.6165.1-54.30000109.6F17 C18 H191F17-T189 VanDerWaalsContact CA-O 3.25Å; F17-T189 WeakPolarHBondContact CA-O 3.31Å; F17-T189 WeakPolarHBondContact CB-O 3.47Å; C18-T189 PolarHBondContact N-O 2.97Å; C18-T189 PolarHBondContact O-N 3.38Å; T189-H191 WeakPolarHBondContact CG2-NE2 3.27Å
190L96.5Very high94Very high48 Ų4870.5 Ų70.525%0.25137%0.368SS..EExtended strand (participates in β ladder)trans-93.4131.6174.2-55.1-178.7000109.5F17 A181 I188 L194 F196F17-L190 HydrophobicContact CB-CD2 3.59Å; F17-L190 HydrophobicContact CG-CD2 4.29Å; A181-L190 HydrophobicContact CB-CD2 4.19Å; I188-L190 HydrophobicContact CG2-CD2 3.63Å; I188-L190 HydrophobicContact CG2-CG 4.26Å; L190-L194 HydrophobicContact CD2-CD2 4.11Å; L190-F196 HydrophobicContact CD1-CE2 3.98Å; L190-F196 HydrophobicContact CD1-CZ 3.89Å; L190-F196 HydrophobicContact CD2-CZ 4.05Å
191H95.9Very high93.5Very high70 Ų7069.6 Ų69.632%0.32436%0.364SS..EExtended strand (participates in β ladder)trans-116.4129.6175.6-66.2-90.6000110.2E15 F16 T189E15-H191 WeakPolarHBondContact CA-O 3.1Å; F16-H191 HydrophobicContact CD1-CB 3.89Å; F16-H191 HydrophobicContact CD2-CB 4.23Å; F16-H191 AromaticContact CD2-CD2 3.81Å; F16-H191 HydrophobicContact CE1-CB 3.59Å; F16-H191 AromaticContact CE1-CG 3.9Å; F16-H191 HydrophobicContact CE2-CB 3.96Å; F16-H191 AromaticContact CE2-CD2 3.18Å; F16-H191 WeakPolarHBondContact CE2-CD2 3.48Å; F16-H191 AromaticContact CE2-CG 3.57Å; F16-H191 AromaticContact CE2-NE2 3.76Å; F16-H191 HydrophobicContact CG-CB 4.18Å; F16-H191 HydrophobicContact CZ-CB 3.62Å; F16-H191 AromaticContact CZ-CD2 3.49Å; F16-H191 VanDerWaalsContact CZ-CD2 3.49Å; F16-H191 WeakPolarHBondContact CZ-CD2 3.46Å; F16-H191 AromaticContact CZ-CG 3.37Å; F16-H191 AromaticContact CZ-ND1 3.84Å; F16-H191 PolarHBondContact N-O 2.8Å; F16-H191 VanDerWaalsContact N-O 3.12Å; F16-H191 WeakPolarHBondContact O-CB 3.24Å; F16-H191 PolarHBondContact O-N 3.17Å; T189-H191 WeakPolarHBondContact CG2-NE2 3.27Å
192G91.6Very high92.4Very high52 Ų5273.2 Ų73.254%0.53639%0.394SS..SBendtrans77.8-173.4-175.800000113.6L194G192-L194 VanDerWaalsContact C-N 3.29Å; G192-L194 PolarHBondContact O-N 3.17Å; G192-L194 VanDerWaalsContact O-N 3.1Å
193D91.8Very high91.3Very high144 Ų14472.7 Ų72.777%0.7740%0.398SS*.  trans-89.362.7-175.1-66.5-30.8000111.4V195D193-V195 PolarHBondContact O-N 3.06Å
194L91.9Very high90.5Very high19 Ų1969.1 Ų69.110%0.09938%0.379CS..  trans-65.8131.2-177.5-163.775.2000111.4A9 T10 F11 E15 F17 L190 G192 F196A9-L194 HydrophobicContact CB-CD1 4.39Å; A9-L194 HydrophobicContact CB-CD2 4.23Å; A9-L194 HydrophobicContact CB-CG 4.3Å; T10-L194 WeakPolarHBondContact O-CD1 3.34Å; F11-L194 HydrophobicContact CD1-CD1 3.7Å; F11-L194 HydrophobicContact CE1-CD1 3.6Å; F11-L194 HydrophobicContact CG-CD1 4.24Å; F11-L194 HydrophobicContact CZ-CD1 4.05Å; E15-L194 HydrophobicContact CB-CB 4.44Å; E15-L194 HydrophobicContact CB-CD1 3.75Å; F17-L194 HydrophobicContact CD1-CD2 3.8Å; F17-L194 HydrophobicContact CE1-CD2 4.47Å; L190-L194 HydrophobicContact CD2-CD2 4.11Å; G192-L194 VanDerWaalsContact C-N 3.29Å; G192-L194 PolarHBondContact O-N 3.17Å; G192-L194 VanDerWaalsContact O-N 3.1Å; L194-F196 HydrophobicContact CD2-CE1 3.75Å; L194-F196 HydrophobicContact CD2-CZ 3.79Å
195V93.7Very high90Very high28 Ų2864.6 Ų64.617%0.1737%0.368CS..BIsolated β-bridgetrans-110.7121.6-178.5176.40000110.3A9 T10 D193 R197 E199A9-V195 CarbonylContact C-O 3.22Å; A9-V195 WeakPolarHBondContact CA-O 3.39Å; T10-V195 PolarHBondContact N-O 3.4Å; D193-V195 PolarHBondContact O-N 3.06Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 HydrophobicContact CG1-CG 3.43Å; V195-R197 VanDerWaalsContact CG1-CG 3.43Å; V195-R197 PolarHBondContact O-N 2.79Å; V195-R197 VanDerWaalsContact O-N 3.09Å; V195-E199 HydrophobicContact CG1-CG 4.25Å
196F94.7Very high89.8Confident60 Ų6063.6 Ų63.626%0.26336%0.364SS..SBendtrans-87.958.4-178.7-63.6-70.5000113.4V8 A9 A181 I182 L190 L194V8-F196 CarbonylContact O-C 3.45Å; V8-F196 VanDerWaalsContact O-C 3.22Å; V8-F196 VanDerWaalsContact O-CA 3.3Å; V8-F196 WeakPolarHBondContact O-CA 3.39Å; A9-F196 HydrophobicContact CB-CD1 4.01Å; A9-F196 HydrophobicContact CB-CE1 4.32Å; A181-F196 HydrophobicContact CB-CE1 3.82Å; A181-F196 HydrophobicContact CB-CZ 4.08Å; A181-F196 WeakPolarHBondContact O-CZ 3.38Å; I182-F196 HydrophobicContact CB-CD1 4.32Å; I182-F196 HydrophobicContact CD1-CD1 4.35Å; I182-F196 HydrophobicContact CG1-CB 4.06Å; I182-F196 HydrophobicContact CG1-CD1 3.31Å; I182-F196 HydrophobicContact CG1-CE1 3.83Å; I182-F196 HydrophobicContact CG1-CG 3.78Å; L190-F196 HydrophobicContact CD1-CE2 3.98Å; L190-F196 HydrophobicContact CD1-CZ 3.89Å; L190-F196 HydrophobicContact CD2-CZ 4.05Å; L194-F196 HydrophobicContact CD2-CE1 3.75Å; L194-F196 HydrophobicContact CD2-CZ 3.79Å
197R93.7Very high89.9Confident148 Ų14857.4 Ų57.456%0.55832%0.324SS*.SBendtrans-159.3159.616851.1172.5-179.9-89.9-3106.2V8 T10 V195 E199V8-R197 PolarHBondContact O-N 2.95Å; T10-R197 PolarHBondContact OG1-O 2.7Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 HydrophobicContact CG1-CG 3.43Å; V195-R197 VanDerWaalsContact CG1-CG 3.43Å; V195-R197 PolarHBondContact O-N 2.79Å; V195-R197 VanDerWaalsContact O-N 3.09Å; R197-E199 HydrophobicContact CG-CG 4.16Å; R197-E199 IonicContact CZ-OE1 3.35Å; R197-E199 IonicContact NE-OE1 3.82Å; R197-E199 PolarHBondContact NE-OE1 3.31Å; R197-E199 IonicContact NH2-OE1 3.1Å; R197-E199 PolarHBondContact NH2-OE1 3.45Å; R197-E199 PolarHBondContact O-N 2.98Å
198C93.1Very high90.1Very high42 Ų4255 Ų5528%0.28431%0.314SS..  trans-84.8109.7172-171.90000110.3V8 T10 W92 C162V8-C198 HydrophobicContact CG2-CB 3.78Å; T10-C198 WeakPolarHBondContact OG1-CA 3.38Å; W92-C198 HydrophobicContact CZ2-CB 4.11Å; C162-C198 HydrophobicContact CB-CB 3.88Å; C162-C198 WeakPolarHBondContact CB-SG 3.42Å; C162-C198 WeakPolarHBondContact SG-CA 3.33Å; C162-C198 WeakPolarHBondContact SG-CB 3.47Å; C162-C198 CovalentContact SG-SG 2.05Å; C162-C198 PolarHBondContact SG-SG 2.75Å
199E92.8Very high90.2Very high51 Ų5154.1 Ų54.124%0.23831%0.309CS..  trans-96.8151.9169.2-53.4-173.814800109T10 K12 V195 R197 V201T10-E199 HydrophobicContact CG2-CB 4.23Å; T10-E199 PolarHBondContact OG1-N 2.71Å; K12-E199 IonicContact NZ-OE2 3.07Å; K12-E199 PolarHBondContact NZ-OE2 3.2Å; V195-E199 HydrophobicContact CG1-CG 4.25Å; R197-E199 HydrophobicContact CG-CG 4.16Å; R197-E199 IonicContact CZ-OE1 3.35Å; R197-E199 IonicContact NE-OE1 3.82Å; R197-E199 PolarHBondContact NE-OE1 3.31Å; R197-E199 IonicContact NH2-OE1 3.1Å; R197-E199 PolarHBondContact NH2-OE1 3.45Å; R197-E199 PolarHBondContact O-N 2.98Å; E199-V201 PolarHBondContact O-N 3.35Å; E199-V201 VanDerWaalsContact O-N 3.16Å
200D85.5Confident90.2Very high123 Ų12355.6 Ų55.666%0.65831%0.311SS*.  trans-68.8115.5171.8-70.5-39.1000109.5R38R38-D200 IonicContact CZ-OD1 2.83Å; R38-D200 IonicContact NH1-OD1 2.68Å; R38-D200 PolarHBondContact NH1-OD1 2.62Å; R38-D200 VanDerWaalsContact NH1-OD1 3.17Å; R38-D200 IonicContact NH2-OD1 3.32Å; R38-D200 PolarHBondContact NH2-OD1 3Å
201V83.6Confident90.1Very high18 Ų1854.7 Ų54.711%0.10931%0.311CS..  trans-91.2104.9174.9-174.90000107.6T10 M160 E199T10-V201 HydrophobicContact CG2-CG2 3.43Å; T10-V201 VanDerWaalsContact CG2-CG2 3.43Å; M160-V201 HydrophobicContact CB-CG1 4.17Å; M160-V201 HydrophobicContact CE-CG1 4.01Å; E199-V201 PolarHBondContact O-N 3.35Å; E199-V201 VanDerWaalsContact O-N 3.16Å
202A72.7Confident90.1Very high76 Ų7652.7 Ų52.763%0.62830%0.304SS*.PPolyproline II helixtrans-60.2142.9176.300000110.5
203A71.6Confident90.3Very high49 Ų4955.6 Ų55.641%0.40530%0.304SS..PPolyproline II helixtrans-59.6141.8163.300000108.4L40 D205L40-A203 HydrophobicContact CD1-CB 4.26Å; A203-D205 PolarHBondContact O-N 3.18Å
204L79.3Confident90.5Very high28 Ų2849 Ų4915%0.14727%0.269CS..PPolyproline II helixtrans-66.1123.7176-71.2-178.5000109M160 S378 D380M160-L204 HydrophobicContact CE-CD2 4.45Å; M160-L204 HydrophobicContact CE-CG 4.17Å; L204-S378 WeakPolarHBondContact CD1-OG 3.48Å; L204-D380 HydrophobicContact CD2-CB 4.18Å
205D83.3Confident90.8Very high81 Ų8151 Ų5143%0.43328%0.277SS..PPolyproline II helixtrans-63.2135.2-179.1-74.9-33.6000110.3A203 R382A203-D205 PolarHBondContact O-N 3.18Å; D205-R382 IonicContact OD2-CZ 2.88Å; D205-R382 IonicContact OD2-NH1 3.39Å; D205-R382 PolarHBondContact OD2-NH1 2.99Å
206P92.6Very high91Very high27 Ų2749.7 Ų49.718%0.17527%0.269CS..PPolyproline II helixtrans-70152.1175.631.4-36.1000111W300 V369 R370 S395 F396 C397P206-W300 HydrophobicContact CB-CH2 3.91Å; P206-W300 HydrophobicContact CB-CZ2 4.15Å; P206-V369 WeakPolarHBondContact CA-O 3.39Å; P206-R370 HydrophobicContact CB-CB 3.82Å; P206-S395 CarbonylContact O-C 3.57Å; P206-S395 VanDerWaalsContact O-C 3.28Å; P206-F396 PolarHBondContact O-N 3.04Å; P206-C397 HydrophobicContact CB-CB 3.66Å; P206-C397 HydrophobicContact CG-CB 3.64Å
207V96.3Very high91Very high1 Ų147.9 Ų47.91%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-109154.5166.7-620000110.5F209 I216 C368 V369 V381 R382 V393 S394V207-F209 HydrophobicContact CG2-CE2 3.99Å; V207-I216 HydrophobicContact CG2-CD1 4.41Å; V207-C368 CarbonylContact O-C 3.53Å; V207-C368 WeakPolarHBondContact O-CA 3.16Å; V207-V369 HydrophobicContact CG2-CB 4.43Å; V207-V369 PolarHBondContact N-O 3.06Å; V207-V369 PolarHBondContact O-N 3.04Å; V207-V381 HydrophobicContact CG1-CB 4.49Å; V207-V381 HydrophobicContact CG1-CG1 4.28Å; V207-V381 HydrophobicContact CG2-CB 4.36Å; V207-V381 HydrophobicContact CG2-CG1 3.63Å; V207-R382 HydrophobicContact CG1-CB 3.89Å; V207-V393 HydrophobicContact CB-CG1 3.93Å; V207-V393 HydrophobicContact CG1-CG1 4.34Å; V207-V393 HydrophobicContact CG2-CG1 4.45Å; V207-S394 CarbonylContact C-O 3.5Å; V207-S394 VanDerWaalsContact CA-O 3.23Å; V207-S394 WeakPolarHBondContact CA-O 3.47Å
208T97.9Very high91.1Very high4 Ų440.9 Ų40.93%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-116.3127.8169.4-60.30000109.9E210 G367 C368 V393 S394 F396 C397T208-E210 HydrophobicContact CG2-CG 4.31Å; T208-G367 CarbonylContact C-O 3.55Å; T208-G367 WeakPolarHBondContact CA-O 3.45Å; T208-C368 PolarHBondContact OG1-SG 2.04Å; T208-C368 VanDerWaalsContact OG1-SG 3.34Å; T208-V393 CarbonylContact O-C 3.59Å; T208-V393 VanDerWaalsContact O-CA 3.3Å; T208-V393 WeakPolarHBondContact O-CA 3.33Å; T208-S394 PolarHBondContact N-O 2.81Å; T208-S394 PolarHBondContact O-N 2.84Å; T208-F396 WeakPolarHBondContact CB-O 3.34Å; T208-F396 PolarHBondContact OG1-O 2.94Å; T208-C397 WeakPolarHBondContact OG1-CA 3.49Å
209F98.3Very high90.9Very high0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-84.3118.1165.1-64.3-93.4000108V207 A214 I216 L340 Y365 V366 G367 V369 V393V207-F209 HydrophobicContact CG2-CE2 3.99Å; F209-A214 HydrophobicContact CB-CB 4.48Å; F209-A214 HydrophobicContact CD1-CB 3.95Å; F209-I216 HydrophobicContact CE1-CD1 4.2Å; F209-I216 HydrophobicContact CE1-CG1 4.03Å; F209-I216 HydrophobicContact CZ-CD1 3.79Å; F209-I216 HydrophobicContact CZ-CG1 4.05Å; F209-L340 WeakPolarHBondContact CE1-O 3.34Å; F209-L340 HydrophobicContact CE2-CD2 4.3Å; F209-L340 HydrophobicContact CE2-CG 4.2Å; F209-L340 HydrophobicContact CZ-CD2 4Å; F209-L340 HydrophobicContact CZ-CG 3.81Å; F209-Y365 HydrophobicContact CB-CD1 4.39Å; F209-Y365 WeakPolarHBondContact CB-O 3.19Å; F209-Y365 AromaticContact CD2-CD1 3.97Å; F209-Y365 HydrophobicContact CD2-CD1 3.97Å; F209-Y365 HydrophobicContact CD2-CE1 4.13Å; F209-Y365 HydrophobicContact CG-CD1 4.34Å; F209-V366 WeakPolarHBondContact O-CA 3.4Å; F209-V366 WeakPolarHBondContact O-CG1 3.49Å; F209-G367 PolarHBondContact N-O 3.38Å; F209-G367 PolarHBondContact O-N 2.82Å; F209-V369 HydrophobicContact CD2-CG2 4.28Å; F209-V369 HydrophobicContact CE2-CB 4.24Å; F209-V369 HydrophobicContact CE2-CG2 3.89Å; F209-V393 HydrophobicContact CD1-CG2 3.88Å; F209-V393 HydrophobicContact CE1-CG2 3.94Å
210E96.8Very high90.7Very high98 Ų9842.7 Ų42.746%0.45825%0.246SC..  trans-95.3-20.6-170.9-59.3-176.2158.700113T208 G392 S394T208-E210 HydrophobicContact CG2-CG 4.31Å; E210-G392 WeakPolarHBondContact CB-O 3.43Å; E210-G392 PolarHBondContact N-O 2.85Å; E210-S394 WeakPolarHBondContact OE1-CB 3.34Å; E210-S394 PolarHBondContact OE1-OG 3.22Å
211A95.5Very high91Very high30 Ų3037 Ų3725%0.24822%0.216CC..SBendtrans-140.2152.1-178.500000111.4E213 A214A211-E213 WeakPolarHBondContact CB-OE2 3.22Å; A211-E213 PolarHBondContact O-N 3.2Å; A211-A214 VanDerWaalsContact O-CB 3.23Å; A211-A214 WeakPolarHBondContact O-CB 3.45Å; A211-A214 PolarHBondContact O-N 3.06Å
212P96.1Very high90.9Very high27 Ų2741.9 Ų41.918%0.17524%0.241CC..THydrogen-bonded Turntrans-62.8-22.5-178.4-22.534.4000114.2A214 G364 V366P212-A214 VanDerWaalsContact C-N 3.3Å; P212-G364 VanDerWaalsContact O-CA 3.25Å; P212-G364 WeakPolarHBondContact O-CA 3.42Å; P212-V366 HydrophobicContact CB-CG2 4.46Å; P212-V366 HydrophobicContact CG-CG2 3.94Å
213E94.9Very high91Very high114 Ų11438.6 Ų38.653%0.53321%0.213SC..THydrogen-bonded Turntrans-82.7-12.4178.9-5372.7-154.300111.8A211A211-E213 WeakPolarHBondContact CB-OE2 3.22Å; A211-E213 PolarHBondContact O-N 3.2Å
214A97.1Very high91.5Very high4 Ų443.7 Ų43.73%0.03323%0.226CC..  trans-70.3132.4-178.700000111.1F209 A211 P212 G341 G342 L391 G392 V393F209-A214 HydrophobicContact CB-CB 4.48Å; F209-A214 HydrophobicContact CD1-CB 3.95Å; A211-A214 VanDerWaalsContact O-CB 3.23Å; A211-A214 WeakPolarHBondContact O-CB 3.45Å; A211-A214 PolarHBondContact O-N 3.06Å; P212-A214 VanDerWaalsContact C-N 3.3Å; A214-G341 CarbonylContact O-C 3.51Å; A214-G342 PolarHBondContact O-N 2.99Å; A214-L391 WeakPolarHBondContact CB-O 3.48Å; A214-G392 WeakPolarHBondContact CB-O 3.28Å; A214-V393 HydrophobicContact CB-CG2 4.12Å
215F97.3Very high91.8Very high62 Ų6247.3 Ų47.327%0.27224%0.241SC..  trans-148.1161.717873.9-85.9000111.4Y339 L340 P344F215-Y339 AromaticContact CD2-CD1 3.86Å; F215-Y339 HydrophobicContact CD2-CD1 3.86Å; F215-Y339 HydrophobicContact CD2-CE1 4.36Å; F215-Y339 HydrophobicContact CE2-CD1 4.2Å; F215-Y339 HydrophobicContact CE2-CE1 4.23Å; F215-L340 CarbonylContact C-O 3.56Å; F215-L340 VanDerWaalsContact CA-O 3.3Å; F215-L340 WeakPolarHBondContact CA-O 3.46Å; F215-P344 HydrophobicContact CE1-CB 3.95Å; F215-P344 HydrophobicContact CE2-CB 4.41Å; F215-P344 HydrophobicContact CZ-CB 3.77Å
216I97.3Very high92Very high0 Ų045.1 Ų45.10%023%0.231CC..EExtended strand (participates in β ladder)trans-125130.7168.6-61.4170.1000107.7V207 F209 L218 L340 V381 L384 A385 A390 V393V207-I216 HydrophobicContact CG2-CD1 4.41Å; F209-I216 HydrophobicContact CE1-CD1 4.2Å; F209-I216 HydrophobicContact CE1-CG1 4.03Å; F209-I216 HydrophobicContact CZ-CD1 3.79Å; F209-I216 HydrophobicContact CZ-CG1 4.05Å; I216-L218 HydrophobicContact CG2-CD2 4.12Å; I216-L340 PolarHBondContact N-O 2.95Å; I216-L340 PolarHBondContact O-N 2.9Å; I216-V381 HydrophobicContact CD1-CG1 3.39Å; I216-L384 HydrophobicContact CG2-CB 3.99Å; I216-A385 HydrophobicContact CD1-CB 3.83Å; I216-A385 HydrophobicContact CG1-CB 4.26Å; I216-A390 HydrophobicContact CG1-CB 4.35Å; I216-V393 HydrophobicContact CD1-CG1 4.2Å; I216-V393 HydrophobicContact CG1-CG2 4.33Å
217S95.8Very high91.9Very high22 Ų2243.9 Ų43.915%0.15422%0.222CC..EExtended strand (participates in β ladder)trans-80.6125.3169.1-179.10000109.7D337 Q388S217-D337 WeakPolarHBondContact OG-CB 3.34Å; S217-D337 PolarHBondContact OG-OD2 3.2Å; S217-Q388 PolarHBondContact O-NE2 2.86Å
218L94.8Very high91.8Very high1 Ų143.9 Ų43.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-100.9150.8176.5-55.7176.3000109.5I216 K220 L243 M338 L340 L372 L384I216-L218 HydrophobicContact CG2-CD2 4.12Å; L218-K220 PolarHBondContact O-N 2.85Å; L218-L243 HydrophobicContact CD1-CD2 4.03Å; L218-M338 WeakPolarHBondContact CA-O 3.42Å; L218-M338 HydrophobicContact CB-CB 4.14Å; L218-M338 HydrophobicContact CB-CE 4.2Å; L218-M338 WeakPolarHBondContact CB-O 3.23Å; L218-M338 HydrophobicContact CD1-CE 3.81Å; L218-M338 HydrophobicContact CD1-CG 4.18Å; L218-M338 PolarHBondContact N-O 3.49Å; L218-M338 PolarHBondContact O-N 2.67Å; L218-L340 HydrophobicContact CD1-CB 3.94Å; L218-L340 HydrophobicContact CG-CB 4.2Å; L218-L372 HydrophobicContact CD1-CD2 3.64Å; L218-L372 HydrophobicContact CD2-CD2 3.94Å; L218-L372 HydrophobicContact CG-CD2 4.47Å; L218-L384 HydrophobicContact CD2-CD1 3.76Å
219P88.8Confident91.7Very high65 Ų6543.7 Ų43.742%0.42222%0.221SC..PPolyproline II helixtrans-53.8141.1173.6-23.833000111.7W221P219-W221 PolarHBondContact O-N 2.99Å
220K90.3Very high91.5Very high66 Ų6643.7 Ų43.729%0.28722%0.221SC..  trans-44.6127.7176.3-178.7177174.3171.90111.9L218 N222 L334 D335L218-K220 PolarHBondContact O-N 2.85Å; K220-N222 PolarHBondContact O-N 3.35Å; K220-L334 WeakPolarHBondContact CE-O 3.4Å; K220-L334 PolarHBondContact NZ-O 3.38Å; K220-L334 VanDerWaalsContact NZ-O 3.11Å; K220-D335 IonicContact NZ-OD1 3.69Å; K220-D335 PolarHBondContact NZ-OD1 2.86Å
221W90.6Very high91.5Very high3 Ų339 Ų391%0.01120%0.2CC..  trans-82.6100.4175.8-174.525.3000110.3P219 T223 I229 F266 F305 L332 L334 M338 I374 D375P219-W221 PolarHBondContact O-N 2.99Å; W221-T223 HydrophobicContact CD2-CG2 3.6Å; W221-T223 HydrophobicContact CE3-CG2 3.9Å; W221-T223 HydrophobicContact CG-CG2 4.03Å; W221-T223 HydrophobicContact CH2-CG2 4.36Å; W221-T223 HydrophobicContact CZ2-CG2 4.08Å; W221-T223 HydrophobicContact CZ3-CG2 4.26Å; W221-T223 PolarHBondContact O-N 3.16Å; W221-I229 HydrophobicContact CD2-CD1 4.04Å; W221-I229 HydrophobicContact CD2-CG1 4.46Å; W221-I229 HydrophobicContact CE3-CD1 3.68Å; W221-I229 HydrophobicContact CH2-CD1 3.58Å; W221-I229 HydrophobicContact CH2-CG1 3.82Å; W221-I229 HydrophobicContact CZ2-CD1 3.94Å; W221-I229 HydrophobicContact CZ2-CG1 3.77Å; W221-I229 HydrophobicContact CZ3-CD1 3.46Å; W221-I229 VanDerWaalsContact CZ3-CD1 3.46Å; W221-I229 HydrophobicContact CZ3-CG1 4.21Å; W221-F266 HydrophobicContact CH2-CE2 4.4Å; W221-F266 HydrophobicContact CZ3-CB 4.45Å; W221-F266 HydrophobicContact CZ3-CD1 4.04Å; W221-F266 HydrophobicContact CZ3-CD2 4Å; W221-F266 HydrophobicContact CZ3-CE1 4.25Å; W221-F266 HydrophobicContact CZ3-CE2 4.18Å; W221-F266 AromaticContact CZ3-CG 3.91Å; W221-F266 HydrophobicContact CZ3-CG 3.91Å; W221-F266 HydrophobicContact CZ3-CZ 4.29Å; W221-F305 HydrophobicContact CH2-CD1 4.16Å; W221-F305 AromaticContact CH2-CE1 3.7Å; W221-F305 HydrophobicContact CH2-CE1 3.7Å; W221-F305 HydrophobicContact CZ2-CE1 4.42Å; W221-L332 HydrophobicContact CZ3-CD2 4.17Å; W221-L334 HydrophobicContact CB-CD1 4.32Å; W221-L334 HydrophobicContact CD2-CD1 4.32Å; W221-L334 HydrophobicContact CE3-CD1 3.54Å; W221-L334 HydrophobicContact CZ3-CD1 4.26Å; W221-M338 HydrophobicContact CB-CE 4.25Å; W221-I374 HydrophobicContact CD2-CG2 4.47Å; W221-I374 HydrophobicContact CG-CG2 3.9Å; W221-D375 VanDerWaalsContact CD1-OD2 3.28Å; W221-D375 VanDerWaalsContact NE1-CG 3.29Å; W221-D375 PolarHBondContact NE1-OD1 2.78Å; W221-D375 PolarHBondContact NE1-OD2 3.08Å
222N82.3Confident91.4Very high122 Ų12238 Ų3865%0.65219%0.19SC*.  trans-81.948-177-63.7-57.2000112.7K220K220-N222 PolarHBondContact O-N 3.35Å
223T75.3Confident91.5Very high6 Ų636.7 Ų36.74%0.03718%0.181CC..  trans-76.3142.6176.2177.80000110.5W221 T226 R307 L332 L334W221-T223 HydrophobicContact CD2-CG2 3.6Å; W221-T223 HydrophobicContact CE3-CG2 3.9Å; W221-T223 HydrophobicContact CG-CG2 4.03Å; W221-T223 HydrophobicContact CH2-CG2 4.36Å; W221-T223 HydrophobicContact CZ2-CG2 4.08Å; W221-T223 HydrophobicContact CZ3-CG2 4.26Å; W221-T223 PolarHBondContact O-N 3.16Å; T223-T226 PolarHBondContact OG1-O 3.46Å; T223-R307 PolarHBondContact OG1-NH2 2.64Å; T223-L332 HydrophobicContact CG2-CB 4.39Å; T223-L332 HydrophobicContact CG2-CD2 4.01Å; T223-L332 HydrophobicContact CG2-CG 4.48Å; T223-L334 HydrophobicContact CG2-CD1 4.38Å
224K80Confident91.6Very high156 Ų15633 Ų3368%0.67816%0.163SC*.SBendtrans-119.4-84.1173.9-69.5-173-179.6-178.30110.5R307 I331 L332K224-R307 PolarHBondContact O-NH2 3.42Å; K224-I331 VanDerWaalsContact O-CA 3.3Å; K224-I331 WeakPolarHBondContact O-CA 3.44Å; K224-L332 PolarHBondContact O-N 2.77Å
225K86Confident91.7Very high105 Ų10532.9 Ų32.946%0.45716%0.161SC..SBendtrans-93.6-37.5178.7-168.5172-177.5171.30111.9R307 G309 E330K225-R307 PolarHBondContact O-NH1 3.4Å; K225-R307 VanDerWaalsContact O-NH1 3.1Å; K225-G309 WeakPolarHBondContact O-CA 3.41Å; K225-G309 PolarHBondContact O-N 3.1Å; K225-E330 VanDerWaalsContact CE-OE2 3.24Å; K225-E330 WeakPolarHBondContact CE-OE2 3.46Å; K225-E330 IonicContact NZ-OE2 3.83Å; K225-E330 PolarHBondContact NZ-OE2 2.84Å
226T88.4Confident91.6Very high35 Ų3531.9 Ų31.922%0.21516%0.16CC..EExtended strand (participates in β ladder)trans-117155.2179.454.40000110.9D149 T223 R307 E308D149-T226 WeakPolarHBondContact OD1-CB 2.93Å; D149-T226 WeakPolarHBondContact OD1-CG2 3.41Å; D149-T226 PolarHBondContact OD1-OG1 3.29Å; D149-T226 VanDerWaalsContact OD1-OG1 3.13Å; D149-T226 PolarHBondContact OD2-OG1 2.79Å; T223-T226 PolarHBondContact OG1-O 3.46Å; T226-R307 VanDerWaalsContact CA-O 3.32Å; T226-R307 WeakPolarHBondContact CA-O 3.31Å; T226-E308 HydrophobicContact CG2-CB 4.19Å; T226-E308 HydrophobicContact CG2-CG 3.89Å
227G90.9Very high91.7Very high0 Ų032.5 Ų32.50%016%0.163CC..EExtended strand (participates in β ladder)trans-173.6154.517400000112.3R307 D375G227-R307 PolarHBondContact N-O 3.43Å; G227-R307 PolarHBondContact O-N 3.03Å; G227-D375 VanDerWaalsContact CA-OD1 3.27Å; G227-D375 WeakPolarHBondContact CA-OD1 3.35Å
228S93.5Very high91.7Very high1 Ų134.5 Ų34.51%0.00718%0.176CC..EExtended strand (participates in β ladder)trans-141.3147.2175.658.10000112.8F305 D375S228-F305 CarbonylContact C-O 3.58Å; S228-F305 WeakPolarHBondContact CA-O 3.39Å; S228-F305 WeakPolarHBondContact CB-O 3.22Å; S228-D375 PolarHBondContact N-OD1 2.92Å; S228-D375 PolarHBondContact O-N 3.36Å; S228-D375 WeakPolarHBondContact OG-CA 3.45Å
229I95.5Very high91.8Very high1 Ų135.5 Ų35.51%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-139.3126.9172.4-62.2178.8000107.9W221 F231 L243 F266 F305 M338 L372 F373W221-I229 HydrophobicContact CD2-CD1 4.04Å; W221-I229 HydrophobicContact CD2-CG1 4.46Å; W221-I229 HydrophobicContact CE3-CD1 3.68Å; W221-I229 HydrophobicContact CH2-CD1 3.58Å; W221-I229 HydrophobicContact CH2-CG1 3.82Å; W221-I229 HydrophobicContact CZ2-CD1 3.94Å; W221-I229 HydrophobicContact CZ2-CG1 3.77Å; W221-I229 HydrophobicContact CZ3-CD1 3.46Å; W221-I229 VanDerWaalsContact CZ3-CD1 3.46Å; W221-I229 HydrophobicContact CZ3-CG1 4.21Å; I229-F231 HydrophobicContact CG2-CD1 4.04Å; I229-F231 HydrophobicContact CG2-CE1 4.38Å; I229-L243 HydrophobicContact CG2-CD1 3.91Å; I229-F266 HydrophobicContact CD1-CE1 3.79Å; I229-F266 HydrophobicContact CD1-CZ 4Å; I229-F305 PolarHBondContact N-O 2.93Å; I229-F305 PolarHBondContact O-N 2.97Å; I229-M338 HydrophobicContact CD1-CE 4.44Å; I229-M338 HydrophobicContact CD1-SD 3.92Å; I229-L372 HydrophobicContact CG2-CD1 4.2Å; I229-F373 WeakPolarHBondContact CA-O 3.32Å
230S94.6Very high92.3Very high0 Ų032.4 Ų32.40%016%0.163CC..EExtended strand (participates in β ladder)trans-131.7144.717057.40000111.8N157 V303 L372 F373N157-S230 PolarHBondContact ND2-OG 2.81Å; S230-V303 CarbonylContact C-O 3.54Å; S230-V303 WeakPolarHBondContact CA-O 3.29Å; S230-V303 VanDerWaalsContact CB-O 3.3Å; S230-V303 WeakPolarHBondContact CB-O 3.48Å; S230-L372 CarbonylContact O-C 3.51Å; S230-L372 WeakPolarHBondContact O-CA 3.39Å; S230-F373 PolarHBondContact N-O 3.27Å; S230-F373 PolarHBondContact O-N 3.1Å
231F95.8Very high92.7Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-162.5161.3178.162.4-80.4000110.7I229 F233 L242 L243 M268 V303 V369 D371 L372I229-F231 HydrophobicContact CG2-CD1 4.04Å; I229-F231 HydrophobicContact CG2-CE1 4.38Å; F231-F233 HydrophobicContact CD2-CB 4.21Å; F231-F233 HydrophobicContact CD2-CD1 4.45Å; F231-F233 HydrophobicContact CE2-CB 4.05Å; F231-F233 AromaticContact CE2-CD1 3.84Å; F231-F233 HydrophobicContact CE2-CD1 3.84Å; F231-F233 HydrophobicContact CE2-CG 4.33Å; F231-L242 HydrophobicContact CE2-CD1 4.42Å; F231-L242 HydrophobicContact CE2-CD2 4.35Å; F231-L242 HydrophobicContact CZ-CD1 4.4Å; F231-L243 HydrophobicContact CD1-CD1 4.17Å; F231-L243 HydrophobicContact CE1-CD1 3.63Å; F231-L243 HydrophobicContact CZ-CD1 4.19Å; F231-M268 HydrophobicContact CE1-CE 4.38Å; F231-M268 HydrophobicContact CE1-SD 3.68Å; F231-M268 HydrophobicContact CZ-SD 3.85Å; F231-V303 HydrophobicContact CD1-CB 4.5Å; F231-V303 HydrophobicContact CE1-CB 4.18Å; F231-V303 HydrophobicContact CE1-CG1 4.22Å; F231-V303 HydrophobicContact CZ-CB 4.26Å; F231-V303 HydrophobicContact CZ-CG1 4.44Å; F231-V303 HydrophobicContact CZ-CG2 4.41Å; F231-V303 PolarHBondContact N-O 2.93Å; F231-V303 PolarHBondContact O-N 2.82Å; F231-V369 HydrophobicContact CD2-CG1 4.25Å; F231-D371 WeakPolarHBondContact CA-O 3.22Å; F231-L372 HydrophobicContact CB-CB 4.42Å; F231-L372 HydrophobicContact CB-CD1 3.92Å; F231-L372 HydrophobicContact CD1-CD1 4.4Å; F231-L372 HydrophobicContact CG-CD1 4.44Å
232D95.2Very high93Very high8 Ų829.3 Ų29.34%0.04315%0.15CC..EExtended strand (participates in β ladder)trans-102.8135.4168.7-78.23.5000109.1W300 C301 H302 V369 R370D232-W300 HydrophobicContact CB-CE3 3.77Å; D232-W300 HydrophobicContact CB-CZ3 4.05Å; D232-C301 WeakPolarHBondContact CA-O 3.34Å; D232-H302 WeakPolarHBondContact OD1-CA 3.39Å; D232-H302 WeakPolarHBondContact OD1-CB 3.3Å; D232-H302 IonicContact OD1-CE1 3.96Å; D232-H302 IonicContact OD1-CG 2.77Å; D232-H302 IonicContact OD1-ND1 2.87Å; D232-H302 PolarHBondContact OD1-ND1 2.77Å; D232-V369 WeakPolarHBondContact O-CA 3.21Å; D232-R370 HydrophobicContact CB-CG 3.66Å; D232-R370 PolarHBondContact N-O 3.05Å; D232-R370 PolarHBondContact O-N 3.35Å; D232-R370 IonicContact OD2-CZ 3.99Å; D232-R370 IonicContact OD2-NE 3.76Å; D232-R370 PolarHBondContact OD2-NE 3.05Å; D232-R370 VanDerWaalsContact OD2-NE 3.09Å; D232-R370 IonicContact OD2-NH2 3.61Å; D232-R370 PolarHBondContact OD2-NH2 3.42Å
233F97.7Very high93.8Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-128.2160.1169.178.4-88.2000112.2F231 T235 L242 L270 L275 V295 C301 V303 Y365 C368 V369F231-F233 HydrophobicContact CD2-CB 4.21Å; F231-F233 HydrophobicContact CD2-CD1 4.45Å; F231-F233 HydrophobicContact CE2-CB 4.05Å; F231-F233 AromaticContact CE2-CD1 3.84Å; F231-F233 HydrophobicContact CE2-CD1 3.84Å; F231-F233 HydrophobicContact CE2-CG 4.33Å; F233-T235 HydrophobicContact CD2-CG2 4.49Å; F233-T235 HydrophobicContact CE2-CG2 4.5Å; F233-L242 HydrophobicContact CB-CD2 4.3Å; F233-L242 HydrophobicContact CD1-CD1 4.4Å; F233-L242 HydrophobicContact CE1-CD1 4.49Å; F233-L242 HydrophobicContact CG-CD2 4.39Å; F233-L270 HydrophobicContact CD2-CD1 4.4Å; F233-L270 HydrophobicContact CE2-CD1 3.94Å; F233-L270 HydrophobicContact CE2-CD2 4.2Å; F233-L270 HydrophobicContact CZ-CD2 4.14Å; F233-L275 HydrophobicContact CE1-CD2 4.41Å; F233-V295 HydrophobicContact CE2-CG2 4.24Å; F233-V295 HydrophobicContact CZ-CB 3.98Å; F233-V295 HydrophobicContact CZ-CG2 3.67Å; F233-C301 HydrophobicContact CD1-CB 4.22Å; F233-C301 HydrophobicContact CE1-CB 3.81Å; F233-C301 HydrophobicContact CE2-CB 4.29Å; F233-C301 HydrophobicContact CZ-CB 3.84Å; F233-C301 PolarHBondContact N-O 2.81Å; F233-C301 PolarHBondContact O-N 2.92Å; F233-V303 HydrophobicContact CD1-CG2 3.78Å; F233-V303 HydrophobicContact CE1-CG2 3.51Å; F233-Y365 HydrophobicContact CD2-CE2 4.19Å; F233-C368 CarbonylContact C-O 3.49Å; F233-C368 WeakPolarHBondContact CA-O 3.39Å; F233-V369 HydrophobicContact CB-CG2 4.39Å
234R97Very high94.8Very high37 Ų3723.2 Ų23.214%0.1412%0.117CC..EExtended strand (participates in β ladder)trans-151121.3180-178.9179.5-168.1-179.811.4111.1G298 E299 W300 Y365 G367 C368 W420R234-G298 PolarHBondContact NE-O 3.5Å; R234-G298 PolarHBondContact NH2-O 3.28Å; R234-E299 IonicContact NH2-OE1 3.48Å; R234-E299 PolarHBondContact NH2-OE1 2.04Å; R234-E299 IonicContact NH2-OE2 3.61Å; R234-W300 HydrophobicContact CB-CD2 3.9Å; R234-W300 HydrophobicContact CB-CE3 3.66Å; R234-W300 HydrophobicContact CB-CG 4.46Å; R234-W300 HydrophobicContact CB-CH2 4.47Å; R234-W300 HydrophobicContact CB-CZ3 3.97Å; R234-Y365 PolarHBondContact N-OH 2.86Å; R234-Y365 PolarHBondContact O-OH 2.88Å; R234-G367 CarbonylContact O-C 3.56Å; R234-G367 WeakPolarHBondContact O-CA 3.43Å; R234-C368 HydrophobicContact CB-CB 4.24Å; R234-C368 PolarHBondContact N-O 2.88Å; R234-C368 PolarHBondContact O-N 2.85Å; R234-W420 HydrophobicContact CG-CH2 3.62Å; R234-W420 HydrophobicContact CG-CZ2 4.37Å; R234-W420 HydrophobicContact CG-CZ3 4.05Å
235T97.9Very high95.6Very high0 Ų015.8 Ų15.80%09%0.085CC..  trans-155.3163.5177.6-171.70000112.4F233 E237 L270 N296 G298 Y365 V366F233-T235 HydrophobicContact CD2-CG2 4.49Å; F233-T235 HydrophobicContact CE2-CG2 4.5Å; T235-E237 PolarHBondContact OG1-N 3.38Å; T235-L270 HydrophobicContact CG2-CD1 3.76Å; T235-N296 HydrophobicContact CG2-CB 4.27Å; T235-N296 CarbonylContact O-C 3.53Å; T235-N296 WeakPolarHBondContact O-CA 3.46Å; T235-G298 VanDerWaalsContact O-CA 3.32Å; T235-G298 WeakPolarHBondContact O-CA 3.13Å; T235-G298 PolarHBondContact O-N 3.31Å; T235-Y365 HydrophobicContact CG2-CE2 3.7Å; T235-V366 WeakPolarHBondContact CB-O 3.47Å; T235-V366 PolarHBondContact OG1-O 2.82Å
236T96.8Very high96Very high42 Ų4211.4 Ų11.426%0.2587%0.066SC..SBendtrans-104.1-11.6164.1480000112.5N296 G419 W420T236-N296 WeakPolarHBondContact CA-O 3.21Å; T236-N296 PolarHBondContact O-ND2 2.82Å; T236-G419 PolarHBondContact OG1-O 2.88Å; T236-W420 HydrophobicContact CG2-CE3 4.18Å; T236-W420 HydrophobicContact CG2-CZ3 4.4Å
237E97.6Very high96.1Very high12 Ų129.8 Ų9.86%0.0566%0.056CC..  trans-73.5136-177.7-59-152.7-176.500111.2T235 N296 V366 W420 R422T235-E237 PolarHBondContact OG1-N 3.38Å; E237-N296 VanDerWaalsContact O-CB 3.32Å; E237-N296 WeakPolarHBondContact O-CB 3.48Å; E237-V366 HydrophobicContact CG-CB 4.38Å; E237-W420 HydrophobicContact CG-CB 4.18Å; E237-W420 PolarHBondContact OE1-N 3.05Å; E237-R422 IonicContact OE1-CZ 3.39Å; E237-R422 IonicContact OE1-NE 2.93Å; E237-R422 PolarHBondContact OE1-NE 2.95Å; E237-R422 IonicContact OE1-NH2 3.94Å; E237-R422 PolarHBondContact OE1-NH2 3.36Å; E237-R422 VanDerWaalsContact OE1-NH2 3.1Å; E237-R422 IonicContact OE2-CZ 3.63Å; E237-R422 IonicContact OE2-NE 2.67Å; E237-R422 IonicContact OE2-NH2 2.77Å; E237-R422 PolarHBondContact OE2-NH2 2.83Å
238P97.1Very high95.8Very high64 Ų6417.3 Ų17.342%0.4169%0.085SC..SBendtrans-76.9-23.2-172.730.4-35.4000113.3L271 D272 G273P238-L271 CarbonylContact O-C 3.59Å; P238-D272 PolarHBondContact O-N 2.84Å; P238-G273 PolarHBondContact O-N 3.32Å
239S97.6Very high95.1Very high23 Ų2320.2 Ų20.216%0.16110%0.104CC..  trans-137.2144.8-173.5-59.30000110.8L270S239-L270 VanDerWaalsContact CA-O 3.22Å; S239-L270 WeakPolarHBondContact CA-O 3.28Å
240G97.9Very high93.7Very high0 Ų025.3 Ų25.30%013%0.127CC..EExtended strand (participates in β ladder)trans170.3137.5178.900000112.6L242 L270 Y363G240-L242 PolarHBondContact O-N 2.82Å; G240-L270 PolarHBondContact N-O 3.05Å; G240-L270 VanDerWaalsContact N-O 3.08Å; G240-L270 PolarHBondContact O-N 2.95Å; G240-Y363 CarbonylContact C-O 3.55Å; G240-Y363 WeakPolarHBondContact CA-O 3.3Å
241L98.4Very high92Very high4 Ų428.1 Ų28.12%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-76114.9173.8-176.166.7000109.9F244 E269 G341 L343 V356 T358 A359 Y363 Y365L241-F244 HydrophobicContact CD1-CB 4.2Å; L241-F244 HydrophobicContact CD2-CB 3.92Å; L241-F244 HydrophobicContact CD2-CG 4.5Å; L241-F244 HydrophobicContact CG-CB 4.31Å; L241-E269 HydrophobicContact CD1-CB 4.36Å; L241-G341 CarbonylContact O-C 3.6Å; L241-G341 VanDerWaalsContact O-C 3.28Å; L241-G341 VanDerWaalsContact O-O 3.11Å; L241-L343 HydrophobicContact CD2-CD1 3.86Å; L241-L343 HydrophobicContact CD2-CD2 3.88Å; L241-L343 HydrophobicContact CD2-CG 3.61Å; L241-V356 HydrophobicContact CD1-CG1 3.79Å; L241-T358 WeakPolarHBondContact CD1-OG1 3.3Å; L241-A359 HydrophobicContact CD2-CB 4.23Å; L241-Y363 PolarHBondContact N-O 2.95Å; L241-Y365 VanDerWaalsContact O-CB 3.22Å; L241-Y365 WeakPolarHBondContact O-CB 3.17Å
242L98.2Very high89.6Confident0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-85.7-57.6-179.6-78.4164.3000111.2F231 F233 G240 M268 L270 L275 L340 G341 Y365F231-L242 HydrophobicContact CE2-CD1 4.42Å; F231-L242 HydrophobicContact CE2-CD2 4.35Å; F231-L242 HydrophobicContact CZ-CD1 4.4Å; F233-L242 HydrophobicContact CB-CD2 4.3Å; F233-L242 HydrophobicContact CD1-CD1 4.4Å; F233-L242 HydrophobicContact CE1-CD1 4.49Å; F233-L242 HydrophobicContact CG-CD2 4.39Å; G240-L242 PolarHBondContact O-N 2.82Å; L242-M268 HydrophobicContact CB-CB 4.24Å; L242-M268 WeakPolarHBondContact CB-O 3.4Å; L242-M268 PolarHBondContact N-O 2.97Å; L242-L270 HydrophobicContact CD1-CD1 4.3Å; L242-L270 HydrophobicContact CD1-CG 3.98Å; L242-L275 HydrophobicContact CD1-CD1 3.62Å; L242-L340 CarbonylContact O-C 3.6Å; L242-L340 VanDerWaalsContact O-CA 3.31Å; L242-L340 WeakPolarHBondContact O-CA 3.21Å; L242-L340 WeakPolarHBondContact O-CD1 3.03Å; L242-G341 PolarHBondContact O-N 3.13Å; L242-Y365 HydrophobicContact CD2-CD1 3.97Å; L242-Y365 HydrophobicContact CD2-CD2 3.38Å; L242-Y365 HydrophobicContact CD2-CE1 4.09Å; L242-Y365 HydrophobicContact CD2-CE2 3.51Å; L242-Y365 HydrophobicContact CD2-CG 3.62Å; L242-Y365 HydrophobicContact CG-CD2 4.01Å; L242-Y365 HydrophobicContact CG-CE2 4.42Å; L242-Y365 HydrophobicContact CG-CG 4.37Å
243L98.1Very high87.3Confident0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-132.2141.8-178.4-75.4169.5000110L218 I229 F231 F266 A267 M268 M338 Y339 L340L218-L243 HydrophobicContact CD1-CD2 4.03Å; I229-L243 HydrophobicContact CG2-CD1 3.91Å; F231-L243 HydrophobicContact CD1-CD1 4.17Å; F231-L243 HydrophobicContact CE1-CD1 3.63Å; F231-L243 HydrophobicContact CZ-CD1 4.19Å; L243-F266 HydrophobicContact CB-CE1 4.32Å; L243-F266 HydrophobicContact CD1-CE1 4.44Å; L243-A267 CarbonylContact O-C 3.55Å; L243-A267 WeakPolarHBondContact O-CA 3.42Å; L243-M268 HydrophobicContact CB-CB 4.31Å; L243-M268 HydrophobicContact CD1-SD 4.44Å; L243-M268 PolarHBondContact N-O 2.87Å; L243-M268 VanDerWaalsContact N-O 3.16Å; L243-M268 PolarHBondContact O-N 3.29Å; L243-M338 HydrophobicContact CD2-CG 4.19Å; L243-M338 HydrophobicContact CD2-SD 4.21Å; L243-Y339 CarbonylContact C-O 3.59Å; L243-Y339 VanDerWaalsContact CA-O 3.28Å; L243-Y339 WeakPolarHBondContact CA-O 3.48Å; L243-L340 HydrophobicContact CD2-CB 4.1Å; L243-L340 HydrophobicContact CD2-CD1 3.68Å; L243-L340 HydrophobicContact CD2-CG 4.5Å; L243-L340 HydrophobicContact CG-CD1 4.15Å
244F97.7Very high84.6Confident0 Ų050.9 Ų50.90%027%0.268CS..EExtended strand (participates in β ladder)trans-150.8137174.3179.6-106.4000112.5L241 H246 F266 A267 Y339 L343 I351 L352 P353 V356L241-F244 HydrophobicContact CD1-CB 4.2Å; L241-F244 HydrophobicContact CD2-CB 3.92Å; L241-F244 HydrophobicContact CD2-CG 4.5Å; L241-F244 HydrophobicContact CG-CB 4.31Å; F244-H246 AromaticContact CE1-CD2 3.83Å; F244-H246 HydrophobicContact CZ-CB 4.23Å; F244-F266 WeakPolarHBondContact CA-O 3.32Å; F244-A267 HydrophobicContact CD2-CB 4Å; F244-Y339 HydrophobicContact CD1-CD2 4.37Å; F244-Y339 PolarHBondContact N-O 3.01Å; F244-Y339 PolarHBondContact O-N 3.39Å; F244-L343 HydrophobicContact CB-CD2 4.19Å; F244-L343 HydrophobicContact CD1-CD2 3.55Å; F244-L343 HydrophobicContact CE1-CD2 4.32Å; F244-L343 HydrophobicContact CG-CD2 4.18Å; F244-I351 WeakPolarHBondContact CZ-O 3.45Å; F244-L352 HydrophobicContact CE1-CD2 3.75Å; F244-L352 HydrophobicContact CZ-CD2 3.84Å; F244-P353 HydrophobicContact CE2-CG 4.34Å; F244-V356 HydrophobicContact CD2-CG1 4.41Å; F244-V356 HydrophobicContact CD2-CG2 4.48Å; F244-V356 HydrophobicContact CE2-CG2 4.25Å
245S95.6Very high81.9Confident0 Ų058.4 Ų58.40%031%0.305CS..EExtended strand (participates in β ladder)trans-154.7150.6169.1-176.30000109.5Y265 F266 S336 D337S245-Y265 WeakPolarHBondContact O-CA 2.86Å; S245-Y265 WeakPolarHBondContact O-CB 3.35Å; S245-F266 PolarHBondContact N-O 3.36Å; S245-F266 PolarHBondContact O-N 2.82Å; S245-S336 PolarHBondContact OG-O 3.17Å; S245-S336 PolarHBondContact OG-OG 2.89Å; S245-D337 PolarHBondContact OG-O 2.94Å
246H93.7Very high79Confident12 Ų1265.4 Ų65.46%0.05634%0.336CS..EExtended strand (participates in β ladder)trans-134.4160.2177.270.986.4000112.3F244 T263 D264 D335 S336 I351F244-H246 AromaticContact CE1-CD2 3.83Å; F244-H246 HydrophobicContact CZ-CB 4.23Å; H246-T263 HydrophobicContact CB-CG2 4.35Å; H246-D264 CarbonylContact C-O 3.59Å; H246-D264 VanDerWaalsContact CA-O 3.31Å; H246-D264 WeakPolarHBondContact CA-O 3.42Å; H246-D335 PolarHBondContact O-N 3.25Å; H246-S336 PolarHBondContact N-OG 3.5Å; H246-S336 WeakPolarHBondContact O-CB 3.02Å; H246-S336 PolarHBondContact O-N 3.04Å; H246-S336 PolarHBondContact O-OG 3.14Å; H246-I351 PolarHBondContact NE2-N 2.91Å
247G90.9Very high76.2Confident2 Ų268.8 Ų68.82%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-84.9-171.117700000112.6T263 D264 D333G247-T263 WeakPolarHBondContact CA-OG1 3.27Å; G247-T263 PolarHBondContact N-OG1 3.49Å; G247-T263 PolarHBondContact O-OG1 2.81Å; G247-D264 PolarHBondContact N-O 3.2Å; G247-D333 WeakPolarHBondContact CA-O 3.45Å
248R85.9Confident73.7Confident158 Ų15871.3 Ų71.360%0.59639%0.387SS*.EExtended strand (participates in β ladder)trans-74.8151.1166.2-66.5-176.2-179.5158.114.1110Q250 T263 D335R248-Q250 PolarHBondContact O-N 2.82Å; R248-T263 PolarHBondContact O-OG1 3.48Å; R248-D335 HydrophobicContact CG-CB 3.67Å; R248-D335 WeakPolarHBondContact CG-OD2 3.45Å; R248-D335 IonicContact CZ-OD1 2.77Å; R248-D335 IonicContact CZ-OD2 3.74Å; R248-D335 VanDerWaalsContact CZ-OD2 3.32Å; R248-D335 IonicContact NE-OD1 3.71Å; R248-D335 IonicContact NE-OD2 2.7Å; R248-D335 PolarHBondContact NE-OD2 2.94Å; R248-D335 IonicContact NH2-OD1 3.98Å; R248-D335 PolarHBondContact NH2-OD1 3.07Å; R248-D335 IonicContact NH2-OD2 3.75Å; R248-D335 PolarHBondContact NH2-OD2 3.05Å; R248-D335 VanDerWaalsContact NH2-OD2 3.07Å
249P77.3Confident71.4Confident62 Ų6278.1 Ų78.140%0.40341%0.405SS..EExtended strand (participates in β ladder)trans-64.3124.7169.520.4-24.8000110.2G251 L261 I351P249-G251 PolarHBondContact O-N 3.4Å; P249-L261 HydrophobicContact CB-CB 4.49Å; P249-L261 HydrophobicContact CB-CD2 3.48Å; P249-L261 VanDerWaalsContact CB-CD2 3.48Å; P249-L261 HydrophobicContact CG-CD2 4.31Å; P249-I351 HydrophobicContact CB-CD1 3.96Å; P249-I351 HydrophobicContact CG-CD1 3.84Å
250Q66.4Low69.4Low107 Ų10782.2 Ų82.250%0.542%0.421SS..EExtended strand (participates in β ladder)trans-86.3101.4178.5-65.4178.2700109.7R248 K262 D264R248-Q250 PolarHBondContact O-N 2.82Å; Q250-K262 PolarHBondContact N-O 2.7Å; Q250-D264 PolarHBondContact NE2-OD1 3.06Å
251G58.7Low67.7Low60 Ų6088.3 Ų88.362%0.61945%0.453SS*.SBendtrans170.1156.5174.600000113.8P249P249-G251 PolarHBondContact O-N 3.4Å
252P45.9Very low66.5Low108 Ų10893.5 Ų93.570%0.70148%0.476SS*.  trans-63.5145.4175.725.3-30.9000110.9E254P252-E254 PolarHBondContact O-N 3.06Å
253K46.4Very low65.9Low219 Ų21994 Ų9495%0.95248%0.479SS*.SBendtrans-57.9-0.6179.2-69.4-177.6174.2-177.20115.3
254E40.9Very low65.7Low158 Ų15894.2 Ų94.274%0.73848%0.48SS*.SBendtrans-90.9102.8173.5-73.3-175.2167.900109.9P252 K256P252-E254 PolarHBondContact O-N 3.06Å; E254-K256 PolarHBondContact O-N 3.21Å
255Q40Very low65.5Low195 Ų19594.5 Ų94.591%0.91148%0.481SS*.  trans-57.697.5168.1-73.3173.3-0.200109.6
256K38.1Very low65.5Low148 Ų14894.5 Ų94.564%0.64348%0.481SS*.  trans-81.9125155.6-76.4-173.9177.8-178.50107.3E254 G258 R259E254-K256 PolarHBondContact O-N 3.21Å; K256-G258 PolarHBondContact O-N 3.43Å; K256-R259 PolarHBondContact O-N 2.89Å
257P37.2Very low65.7Low112 Ų11293.9 Ų93.973%0.72748%0.478SS*.THydrogen-bonded Turntrans-57.4134.9176.415.9-22.5000110.2
258G45.5Very low66.1Low65 Ų6593.8 Ų93.867%0.6748%0.477SS*.THydrogen-bonded Turntrans87.710.8179.300000117.8K256K256-G258 PolarHBondContact O-N 3.43Å
259R49.6Very low66.7Low208 Ų20886.3 Ų86.379%0.78545%0.449SS*.  trans-108.3115.9173.8-128.1-179.6-177.1-176.9-0.7111.9K256K256-R259 PolarHBondContact O-N 2.89Å
260E56Low67.7Low108 Ų10883.4 Ų83.451%0.50543%0.43SS..  trans-52.7133.7-178.5-60.8176.4163.800113.2K262 R556E260-K262 VanDerWaalsContact C-N 3.29Å; E260-K262 HydrophobicContact CB-CG 4.24Å; E260-K262 PolarHBondContact O-N 3.03Å; E260-K262 WeakPolarHBondContact OE2-CE 3.12Å; E260-R556 IonicContact OE1-CZ 2.67Å; E260-R556 IonicContact OE1-NH1 3.1Å; E260-R556 PolarHBondContact OE1-NH1 3.29Å; E260-R556 IonicContact OE2-NH1 3.05Å
261L60.6Low69.1Low129 Ų12978.7 Ų78.768%0.67541%0.408SS*.  trans-73.286.7164.4-73.9158.8000108.3P249P249-L261 HydrophobicContact CB-CB 4.49Å; P249-L261 HydrophobicContact CB-CD2 3.48Å; P249-L261 VanDerWaalsContact CB-CD2 3.48Å; P249-L261 HydrophobicContact CG-CD2 4.31Å
262K74.6Confident70.9Confident113 Ų11380.6 Ų80.649%0.49140%0.404SS..EExtended strand (participates in β ladder)trans-76.2126.6172.4-69.5-169177.3-1710109.2Q250 E260Q250-K262 PolarHBondContact N-O 2.7Å; E260-K262 VanDerWaalsContact C-N 3.29Å; E260-K262 HydrophobicContact CB-CG 4.24Å; E260-K262 PolarHBondContact O-N 3.03Å; E260-K262 WeakPolarHBondContact OE2-CE 3.12Å
263T85.8Confident73.3Confident11 Ų1175.4 Ų75.47%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-134.1144.1176-175.70000108.5H246 G247 R248 I351H246-T263 HydrophobicContact CB-CG2 4.35Å; G247-T263 WeakPolarHBondContact CA-OG1 3.27Å; G247-T263 PolarHBondContact N-OG1 3.49Å; G247-T263 PolarHBondContact O-OG1 2.81Å; R248-T263 PolarHBondContact O-OG1 3.48Å; T263-I351 HydrophobicContact CG2-CB 4.12Å; T263-I351 HydrophobicContact CG2-CG2 3.58Å
264D92.2Very high75.7Confident4 Ų467.8 Ų67.82%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-62.1142.1168.2-70.814000108.3H246 G247 Q250 D280 G282 L332 D333H246-D264 CarbonylContact C-O 3.59Å; H246-D264 VanDerWaalsContact CA-O 3.31Å; H246-D264 WeakPolarHBondContact CA-O 3.42Å; G247-D264 PolarHBondContact N-O 3.2Å; Q250-D264 PolarHBondContact NE2-OD1 3.06Å; D264-D280 CarbonylContact C-O 3.51Å; D264-D280 WeakPolarHBondContact CA-O 3.27Å; D264-G282 PolarHBondContact OD1-N 3.29Å; D264-L332 HydrophobicContact CB-CD1 4.17Å; D264-D333 PolarHBondContact OD2-N 3.26Å
265Y94.7Very high78.4Confident5 Ų560.2 Ų60.22%0.0230%0.301CS..EExtended strand (participates in β ladder)trans-153158.3174.470.7-91.6000111.9S245 L278 I279 D280 P353 E355 V356S245-Y265 WeakPolarHBondContact O-CA 2.86Å; S245-Y265 WeakPolarHBondContact O-CB 3.35Å; Y265-L278 HydrophobicContact CE2-CB 3.9Å; Y265-I279 WeakPolarHBondContact O-CA 3.42Å; Y265-D280 HydrophobicContact CD1-CB 3.62Å; Y265-D280 HydrophobicContact CE1-CB 3.28Å; Y265-D280 HydrophobicContact CG-CB 4.48Å; Y265-D280 PolarHBondContact N-O 2.9Å; Y265-D280 PolarHBondContact O-N 2.92Å; Y265-P353 HydrophobicContact CD1-CB 3.9Å; Y265-P353 HydrophobicContact CD1-CG 3.43Å; Y265-P353 VanDerWaalsContact CD1-CG 3.43Å; Y265-P353 HydrophobicContact CD2-CB 4.45Å; Y265-P353 HydrophobicContact CD2-CG 3.85Å; Y265-P353 HydrophobicContact CE1-CB 3.69Å; Y265-P353 HydrophobicContact CE1-CG 3.78Å; Y265-P353 HydrophobicContact CE2-CB 4.28Å; Y265-P353 HydrophobicContact CE2-CG 4.18Å; Y265-P353 HydrophobicContact CG-CB 4.28Å; Y265-P353 HydrophobicContact CG-CG 3.47Å; Y265-P353 VanDerWaalsContact CG-CG 3.47Å; Y265-E355 WeakPolarHBondContact OH-CB 2.99Å; Y265-E355 WeakPolarHBondContact OH-CG 3.24Å; Y265-V356 HydrophobicContact CD2-CG2 4.08Å; Y265-V356 HydrophobicContact CE2-CG2 3.85Å
266F96.3Very high81.2Confident0 Ų053.4 Ų53.40%027%0.267CS..EExtended strand (participates in β ladder)trans-134.2133.7172.5174.5-91.5000109W221 I229 L243 F244 S245 M268 L277 L278 I279 F305 L332 L334W221-F266 HydrophobicContact CH2-CE2 4.4Å; W221-F266 HydrophobicContact CZ3-CB 4.45Å; W221-F266 HydrophobicContact CZ3-CD1 4.04Å; W221-F266 HydrophobicContact CZ3-CD2 4Å; W221-F266 HydrophobicContact CZ3-CE1 4.25Å; W221-F266 HydrophobicContact CZ3-CE2 4.18Å; W221-F266 AromaticContact CZ3-CG 3.91Å; W221-F266 HydrophobicContact CZ3-CG 3.91Å; W221-F266 HydrophobicContact CZ3-CZ 4.29Å; I229-F266 HydrophobicContact CD1-CE1 3.79Å; I229-F266 HydrophobicContact CD1-CZ 4Å; L243-F266 HydrophobicContact CB-CE1 4.32Å; L243-F266 HydrophobicContact CD1-CE1 4.44Å; F244-F266 WeakPolarHBondContact CA-O 3.32Å; S245-F266 PolarHBondContact N-O 3.36Å; S245-F266 PolarHBondContact O-N 2.82Å; F266-M268 HydrophobicContact CE1-CE 4.47Å; F266-M268 HydrophobicContact CE1-CG 4.19Å; F266-M268 HydrophobicContact CE2-CE 4.48Å; F266-M268 HydrophobicContact CZ-CE 3.65Å; F266-M268 HydrophobicContact CZ-CG 4.01Å; F266-L277 HydrophobicContact CD2-CD1 4.17Å; F266-L277 HydrophobicContact CE2-CD1 3.51Å; F266-L277 HydrophobicContact CZ-CD1 4.11Å; F266-L278 WeakPolarHBondContact CA-O 3.32Å; F266-I279 HydrophobicContact CD2-CD1 4.45Å; F266-F305 HydrophobicContact CD2-CZ 4.49Å; F266-F305 HydrophobicContact CE2-CD1 4.07Å; F266-F305 HydrophobicContact CE2-CD2 4.25Å; F266-F305 AromaticContact CE2-CE1 3.92Å; F266-F305 HydrophobicContact CE2-CE1 3.92Å; F266-F305 HydrophobicContact CE2-CE2 4.03Å; F266-F305 HydrophobicContact CE2-CG 4.25Å; F266-F305 AromaticContact CE2-CZ 3.85Å; F266-F305 HydrophobicContact CE2-CZ 3.85Å; F266-F305 HydrophobicContact CZ-CD1 4.31Å; F266-F305 HydrophobicContact CZ-CG 4.43Å; F266-L332 HydrophobicContact CB-CD2 4.12Å; F266-L334 HydrophobicContact CB-CD1 4.39Å
267A97.8Very high84Confident0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-144.6150.4173.600000112.2L243 F244 L278 V356L243-A267 CarbonylContact O-C 3.55Å; L243-A267 WeakPolarHBondContact O-CA 3.42Å; F244-A267 HydrophobicContact CD2-CB 4Å; A267-L278 HydrophobicContact CB-CB 4.23Å; A267-L278 HydrophobicContact CB-CD1 4.37Å; A267-L278 PolarHBondContact N-O 2.92Å; A267-L278 PolarHBondContact O-N 2.7Å; A267-V356 HydrophobicContact CB-CG1 3.99Å; A267-V356 HydrophobicContact CB-CG2 3.84Å
268M98.3Very high86.9Confident0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-123.8129.1161.5-64.4-164.7-176.900108.7F231 L242 L243 F266 Y276 L277 V303 F305 I314F231-M268 HydrophobicContact CE1-CE 4.38Å; F231-M268 HydrophobicContact CE1-SD 3.68Å; F231-M268 HydrophobicContact CZ-SD 3.85Å; L242-M268 HydrophobicContact CB-CB 4.24Å; L242-M268 WeakPolarHBondContact CB-O 3.4Å; L242-M268 PolarHBondContact N-O 2.97Å; L243-M268 HydrophobicContact CB-CB 4.31Å; L243-M268 HydrophobicContact CD1-SD 4.44Å; L243-M268 PolarHBondContact N-O 2.87Å; L243-M268 VanDerWaalsContact N-O 3.16Å; L243-M268 PolarHBondContact O-N 3.29Å; F266-M268 HydrophobicContact CE1-CE 4.47Å; F266-M268 HydrophobicContact CE1-CG 4.19Å; F266-M268 HydrophobicContact CE2-CE 4.48Å; F266-M268 HydrophobicContact CZ-CE 3.65Å; F266-M268 HydrophobicContact CZ-CG 4.01Å; M268-Y276 WeakPolarHBondContact CA-O 3.48Å; M268-L277 HydrophobicContact CE-CD1 4.49Å; M268-L277 HydrophobicContact CG-CD1 4.48Å; M268-V303 HydrophobicContact CE-CG1 4.18Å; M268-V303 HydrophobicContact SD-CG1 4.1Å; M268-F305 HydrophobicContact CE-CB 3.48Å; M268-F305 VanDerWaalsContact CE-CB 3.48Å; M268-F305 HydrophobicContact CE-CD2 4.47Å; M268-F305 HydrophobicContact CE-CG 4.05Å; M268-I314 HydrophobicContact CE-CD1 3.89Å; M268-I314 HydrophobicContact SD-CD1 4.31Å
269E98.2Very high89.2Confident0 Ų038 Ų380%017%0.17CC..EExtended strand (participates in β ladder)trans-135.9147.7-179.668.8-177.3178.700111.7L241 L271 Y276 L278 K287 W357 T358L241-E269 HydrophobicContact CD1-CB 4.36Å; E269-L271 HydrophobicContact CG-CD1 4.16Å; E269-L271 HydrophobicContact CG-CG 4.19Å; E269-L271 VanDerWaalsContact OE1-CD1 3.24Å; E269-L271 WeakPolarHBondContact OE1-CD1 3.37Å; E269-Y276 PolarHBondContact N-O 3.15Å; E269-Y276 PolarHBondContact O-N 3.33Å; E269-L278 HydrophobicContact CG-CD1 3.68Å; E269-K287 WeakPolarHBondContact OE1-CE 3.36Å; E269-K287 IonicContact OE1-NZ 2.75Å; E269-K287 PolarHBondContact OE1-NZ 2.92Å; E269-W357 PolarHBondContact OE2-N 3.34Å; E269-T358 HydrophobicContact CB-CG2 3.85Å; E269-T358 WeakPolarHBondContact CB-OG1 3.39Å; E269-T358 HydrophobicContact CG-CG2 4.35Å; E269-T358 WeakPolarHBondContact OE2-CB 3.03Å; E269-T358 WeakPolarHBondContact OE2-CG2 3.35Å; E269-T358 PolarHBondContact OE2-N 3.49Å; E269-T358 PolarHBondContact OE2-OG1 3.16Å
270L98.1Very high91.3Very high1 Ų129.2 Ų29.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-92.3133.2165.1-70171.4000109F233 T235 S239 G240 L242 Y274 L275 V295 T358 Y365F233-L270 HydrophobicContact CD2-CD1 4.4Å; F233-L270 HydrophobicContact CE2-CD1 3.94Å; F233-L270 HydrophobicContact CE2-CD2 4.2Å; F233-L270 HydrophobicContact CZ-CD2 4.14Å; T235-L270 HydrophobicContact CG2-CD1 3.76Å; S239-L270 VanDerWaalsContact CA-O 3.22Å; S239-L270 WeakPolarHBondContact CA-O 3.28Å; G240-L270 PolarHBondContact N-O 3.05Å; G240-L270 VanDerWaalsContact N-O 3.08Å; G240-L270 PolarHBondContact O-N 2.95Å; L242-L270 HydrophobicContact CD1-CD1 4.3Å; L242-L270 HydrophobicContact CD1-CG 3.98Å; L270-Y274 WeakPolarHBondContact CA-O 3.32Å; L270-L275 HydrophobicContact CD2-CB 4.15Å; L270-L275 HydrophobicContact CD2-CD1 4.2Å; L270-V295 HydrophobicContact CD2-CG2 3.6Å; L270-T358 WeakPolarHBondContact O-CG2 3.34Å; L270-Y365 HydrophobicContact CD1-CD2 4.01Å; L270-Y365 HydrophobicContact CD1-CE2 3.9Å
271L96.7Very high92.9Very high8 Ų824.2 Ų24.24%0.04212%0.116CC..EExtended strand (participates in β ladder)trans-139.5122.8173.3-71.6171.3000109.4P238 E269 G273 Y274 Y276 W357 T358P238-L271 CarbonylContact O-C 3.59Å; E269-L271 HydrophobicContact CG-CD1 4.16Å; E269-L271 HydrophobicContact CG-CG 4.19Å; E269-L271 VanDerWaalsContact OE1-CD1 3.24Å; E269-L271 WeakPolarHBondContact OE1-CD1 3.37Å; L271-G273 PolarHBondContact O-N 3.29Å; L271-Y274 PolarHBondContact N-O 2.82Å; L271-Y274 PolarHBondContact O-N 3.31Å; L271-Y276 HydrophobicContact CB-CD2 4.01Å; L271-Y276 HydrophobicContact CB-CE2 3.89Å; L271-Y276 HydrophobicContact CD1-CD2 4.2Å; L271-Y276 HydrophobicContact CD1-CE2 4.4Å; L271-Y276 HydrophobicContact CG-CD2 4.45Å; L271-W357 HydrophobicContact CD1-CD2 4.28Å; L271-W357 HydrophobicContact CD1-CE3 3.51Å; L271-W357 HydrophobicContact CD1-CZ3 4.08Å; L271-W357 HydrophobicContact CD2-CE3 4.46Å; L271-T358 HydrophobicContact CD2-CG2 3.66Å; L271-T358 HydrophobicContact CG-CG2 4.23Å
272D95.4Very high94.1Very high100 Ų10019.5 Ų19.554%0.53510%0.098SC..THydrogen-bonded Turntrans52.428.7-178.8-59-40.6000114.5P238 K294P238-D272 PolarHBondContact O-N 2.84Å; D272-K294 WeakPolarHBondContact O-CE 3.46Å; D272-K294 PolarHBondContact O-NZ 3.01Å; D272-K294 VanDerWaalsContact O-NZ 3.14Å
273G96.6Very high94.5Very high0 Ų015.8 Ų15.80%09%0.087CC..THydrogen-bonded Turntrans88-0.5-177.800000114.5P238 L271 K294 V295 N296P238-G273 PolarHBondContact O-N 3.32Å; L271-G273 PolarHBondContact O-N 3.29Å; G273-K294 CarbonylContact O-C 3.53Å; G273-K294 WeakPolarHBondContact O-CA 3.08Å; G273-V295 WeakPolarHBondContact O-CG2 3.35Å; G273-V295 PolarHBondContact O-N 3.25Å; G273-N296 VanDerWaalsContact CA-OD1 3.26Å; G273-N296 WeakPolarHBondContact CA-OD1 3.3Å
274Y97.4Very high94.4Very high58 Ų5816.4 Ų16.423%0.22710%0.095CC..EExtended strand (participates in β ladder)trans-100.1139.8178.1-61.8-78.3000111.6L270 L271 Y276 K289 N292 K293 K294L270-Y274 WeakPolarHBondContact CA-O 3.32Å; L271-Y274 PolarHBondContact N-O 2.82Å; L271-Y274 PolarHBondContact O-N 3.31Å; Y274-Y276 WeakPolarHBondContact O-CD2 3.17Å; Y274-K289 VanDerWaalsContact CD1-NZ 3.31Å; Y274-K289 VanDerWaalsContact CE1-NZ 3.26Å; Y274-N292 WeakPolarHBondContact CE1-O 3.41Å; Y274-K293 WeakPolarHBondContact CD1-O 3.47Å; Y274-K294 HydrophobicContact CD1-CG 4.33Å; Y274-K294 HydrophobicContact CD2-CG 4.46Å; Y274-K294 HydrophobicContact CE1-CG 3.92Å; Y274-K294 HydrophobicContact CE2-CG 4.05Å
275L97.6Very high94.3Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-81.3131.7173.6-177.367000110.9F233 L242 L270 A290 V295 V303 I314 V316F233-L275 HydrophobicContact CE1-CD2 4.41Å; L242-L275 HydrophobicContact CD1-CD1 3.62Å; L270-L275 HydrophobicContact CD2-CB 4.15Å; L270-L275 HydrophobicContact CD2-CD1 4.2Å; L275-A290 HydrophobicContact CB-CB 4.23Å; L275-A290 HydrophobicContact CD2-CB 4.05Å; L275-A290 HydrophobicContact CG-CB 4.07Å; L275-A290 WeakPolarHBondContact O-CB 3.32Å; L275-A290 PolarHBondContact O-N 3.5Å; L275-V295 HydrophobicContact CB-CG2 4.09Å; L275-V303 HydrophobicContact CD2-CG1 4.08Å; L275-V303 HydrophobicContact CD2-CG2 3.68Å; L275-I314 HydrophobicContact CD2-CD1 4.34Å; L275-V316 HydrophobicContact CD2-CG2 3.86Å
276Y97.8Very high94.2Very high51 Ų5121.1 Ų21.120%0.212%0.117CC..EExtended strand (participates in β ladder)trans-120.1138.5174.4-71.7-95.2000110.9M268 E269 L271 Y274 K287 L288 K289M268-Y276 WeakPolarHBondContact CA-O 3.48Å; E269-Y276 PolarHBondContact N-O 3.15Å; E269-Y276 PolarHBondContact O-N 3.33Å; L271-Y276 HydrophobicContact CB-CD2 4.01Å; L271-Y276 HydrophobicContact CB-CE2 3.89Å; L271-Y276 HydrophobicContact CD1-CD2 4.2Å; L271-Y276 HydrophobicContact CD1-CE2 4.4Å; L271-Y276 HydrophobicContact CG-CD2 4.45Å; Y274-Y276 WeakPolarHBondContact O-CD2 3.17Å; Y276-K287 HydrophobicContact CD1-CG 4.22Å; Y276-L288 CarbonylContact C-O 3.39Å; Y276-L288 VanDerWaalsContact CA-O 3.27Å; Y276-L288 WeakPolarHBondContact CA-O 3.39Å; Y276-K289 HydrophobicContact CD1-CB 4.12Å; Y276-K289 HydrophobicContact CE1-CB 3.67Å; Y276-K289 HydrophobicContact CE1-CG 4.01Å
277L97.8Very high94.1Very high0 Ų024.4 Ų24.40%013%0.131CC..EExtended strand (participates in β ladder)trans-100.9132.4166.3167.968.4000108.3F266 M268 K287 L288 F305 I314 F323F266-L277 HydrophobicContact CD2-CD1 4.17Å; F266-L277 HydrophobicContact CE2-CD1 3.51Å; F266-L277 HydrophobicContact CZ-CD1 4.11Å; M268-L277 HydrophobicContact CE-CD1 4.49Å; M268-L277 HydrophobicContact CG-CD1 4.48Å; L277-K287 WeakPolarHBondContact O-CA 3.33Å; L277-L288 HydrophobicContact CB-CB 4.45Å; L277-L288 HydrophobicContact CD2-CD2 4.45Å; L277-L288 PolarHBondContact N-O 3.26Å; L277-L288 PolarHBondContact O-N 2.82Å; L277-F305 HydrophobicContact CD1-CD2 3.91Å; L277-F305 HydrophobicContact CD1-CE2 3.88Å; L277-F305 HydrophobicContact CD2-CD2 3.82Å; L277-F305 HydrophobicContact CD2-CE2 3.7Å; L277-F305 HydrophobicContact CG-CE2 4.45Å; L277-I314 HydrophobicContact CB-CD1 3.97Å; L277-I314 HydrophobicContact CD2-CB 4.31Å; L277-I314 HydrophobicContact CD2-CG2 4.31Å; L277-F323 HydrophobicContact CD2-CD1 3.9Å; L277-F323 HydrophobicContact CD2-CE1 3.73Å; L277-F323 HydrophobicContact CD2-CZ 4.22Å
278L97.3Very high94Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-125.9131.2171.9-55.888.3000110.2Y265 F266 A267 E269 T286 K287 E355 V356Y265-L278 HydrophobicContact CE2-CB 3.9Å; F266-L278 WeakPolarHBondContact CA-O 3.32Å; A267-L278 HydrophobicContact CB-CB 4.23Å; A267-L278 HydrophobicContact CB-CD1 4.37Å; A267-L278 PolarHBondContact N-O 2.92Å; A267-L278 PolarHBondContact O-N 2.7Å; E269-L278 HydrophobicContact CG-CD1 3.68Å; L278-T286 VanDerWaalsContact CA-O 3.28Å; L278-T286 WeakPolarHBondContact CA-O 3.18Å; L278-K287 HydrophobicContact CD2-CB 4.37Å; L278-K287 HydrophobicContact CD2-CD 3.66Å; L278-K287 HydrophobicContact CD2-CG 3.98Å; L278-K287 HydrophobicContact CG-CB 4.32Å; L278-K287 HydrophobicContact CG-CD 4.18Å; L278-K287 HydrophobicContact CG-CG 3.95Å; L278-E355 HydrophobicContact CD2-CB 4.06Å; L278-E355 WeakPolarHBondContact CD2-O 3.24Å; L278-V356 HydrophobicContact CD2-CG2 4.18Å
279I94.9Very high93.9Very high1 Ų129 Ų291%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-147.5135177.6-171.7171.7000110.4Y265 F266 M281 T286 F305 F323 L332Y265-I279 WeakPolarHBondContact O-CA 3.42Å; F266-I279 HydrophobicContact CD2-CD1 4.45Å; I279-M281 HydrophobicContact CD1-CG 4.24Å; I279-M281 HydrophobicContact CD1-SD 4.27Å; I279-M281 HydrophobicContact CG1-CG 4.21Å; I279-T286 HydrophobicContact CG2-CG2 4.39Å; I279-T286 PolarHBondContact N-O 2.92Å; I279-T286 PolarHBondContact O-N 3.13Å; I279-F305 HydrophobicContact CD1-CZ 4.5Å; I279-F323 HydrophobicContact CG2-CE2 4.15Å; I279-L332 HydrophobicContact CD1-CD1 4.25Å; I279-L332 HydrophobicContact CD1-CD2 4.04Å; I279-L332 HydrophobicContact CG1-CD1 3.95Å; I279-L332 HydrophobicContact CG1-CD2 4.46Å
280D93.2Very high93.7Very high25 Ų2529.1 Ų29.113%0.13415%0.154CC..EExtended strand (participates in β ladder)trans-132.6129166.4-163.6-25.9000108.1D264 Y265 G282 G284 K285 L332D264-D280 CarbonylContact C-O 3.51Å; D264-D280 WeakPolarHBondContact CA-O 3.27Å; Y265-D280 HydrophobicContact CD1-CB 3.62Å; Y265-D280 HydrophobicContact CE1-CB 3.28Å; Y265-D280 HydrophobicContact CG-CB 4.48Å; Y265-D280 PolarHBondContact N-O 2.9Å; Y265-D280 PolarHBondContact O-N 2.92Å; D280-G282 PolarHBondContact OD1-N 3Å; D280-G284 WeakPolarHBondContact OD1-CA 3.18Å; D280-G284 PolarHBondContact OD1-N 2.82Å; D280-G284 WeakPolarHBondContact OD2-CA 3.37Å; D280-K285 PolarHBondContact OD2-N 2.95Å; D280-K285 VanDerWaalsContact OD2-N 3.11Å; D280-L332 WeakPolarHBondContact O-CD1 3.47Å
281M90.9Very high93.3Very high3 Ų330.1 Ų30.12%0.01516%0.161CC..  trans-108.813.3-178.8-69.6179.2-64.400111.7I279 R310 S325 S329 I331 L332I279-M281 HydrophobicContact CD1-CG 4.24Å; I279-M281 HydrophobicContact CD1-SD 4.27Å; I279-M281 HydrophobicContact CG1-CG 4.21Å; M281-R310 HydrophobicContact CE-CG 4.25Å; M281-S325 WeakPolarHBondContact CE-OG 3.32Å; M281-S329 WeakPolarHBondContact O-CB 3.5Å; M281-S329 PolarHBondContact O-OG 3.4Å; M281-I331 WeakPolarHBondContact CB-O 3.35Å; M281-L332 HydrophobicContact CG-CB 3.91Å; M281-L332 HydrophobicContact CG-CD1 3.79Å; M281-L332 HydrophobicContact CG-CG 4.46Å; M281-L332 HydrophobicContact SD-CB 4.36Å
282G84.4Confident92.9Very high29 Ų2936.2 Ų36.230%0.29919%0.193SC..SBendtrans101.2-13.8-178.400000114.1D264 D280D264-G282 PolarHBondContact OD1-N 3.29Å; D280-G282 PolarHBondContact OD1-N 3Å
283S83.6Confident92.9Very high36 Ų3638 Ų3825%0.25220%0.196SC..SBendtrans-98.40.9174.852.40000114.5P326 E327 S329S283-P326 PolarHBondContact OG-O 2.89Å; S283-E327 VanDerWaalsContact CB-O 3.3Å; S283-E327 WeakPolarHBondContact CB-O 2.94Å; S283-S329 PolarHBondContact OG-N 2.93Å
284G83.9Confident92.9Very high23 Ų2343.5 Ų43.524%0.23722%0.22CC..  trans124155.7175.900000113.3D280D280-G284 WeakPolarHBondContact OD1-CA 3.18Å; D280-G284 PolarHBondContact OD1-N 2.82Å; D280-G284 WeakPolarHBondContact OD2-CA 3.37Å
285K89.4Confident92.8Very high88 Ų8841.1 Ų41.138%0.38321%0.212SC..  trans-66142.1-174.961.9-177.1173.1-1720114.4D280 E355 E463D280-K285 PolarHBondContact OD2-N 2.95Å; D280-K285 VanDerWaalsContact OD2-N 3.11Å; K285-E355 HydrophobicContact CB-CG 4.26Å; K285-E355 HydrophobicContact CD-CB 4.49Å; K285-E355 HydrophobicContact CD-CG 3.17Å; K285-E355 WeakPolarHBondContact CD-OE1 3.25Å; K285-E355 HydrophobicContact CG-CG 4.36Å; K285-E355 IonicContact NZ-OE1 3.48Å; K285-E355 PolarHBondContact NZ-OE1 2.83Å; K285-E463 IonicContact NZ-OE1 3.93Å; K285-E463 PolarHBondContact NZ-OE1 2.85Å; K285-E463 IonicContact NZ-OE2 3.38Å; K285-E463 PolarHBondContact NZ-OE2 2.98Å
286T93.1Very high92.8Very high20 Ų2042.6 Ų42.612%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-120.7116.6163.7-58.10000108.1L278 I279 F323 P326L278-T286 VanDerWaalsContact CA-O 3.28Å; L278-T286 WeakPolarHBondContact CA-O 3.18Å; I279-T286 HydrophobicContact CG2-CG2 4.39Å; I279-T286 PolarHBondContact N-O 2.92Å; I279-T286 PolarHBondContact O-N 3.13Å; T286-F323 HydrophobicContact CG2-CD2 4.26Å; T286-P326 WeakPolarHBondContact OG1-CD 3.37Å
287K94.3Very high92.7Very high70 Ų7044.9 Ų44.930%0.30424%0.235SC..EExtended strand (participates in β ladder)trans-115.9108.7172.2-177.5163.1-165.3160.60108.8E269 Y276 L277 L278 E355E269-K287 WeakPolarHBondContact OE1-CE 3.36Å; E269-K287 IonicContact OE1-NZ 2.75Å; E269-K287 PolarHBondContact OE1-NZ 2.92Å; Y276-K287 HydrophobicContact CD1-CG 4.22Å; L277-K287 WeakPolarHBondContact O-CA 3.33Å; L278-K287 HydrophobicContact CD2-CB 4.37Å; L278-K287 HydrophobicContact CD2-CD 3.66Å; L278-K287 HydrophobicContact CD2-CG 3.98Å; L278-K287 HydrophobicContact CG-CB 4.32Å; L278-K287 HydrophobicContact CG-CD 4.18Å; L278-K287 HydrophobicContact CG-CG 3.95Å; K287-E355 PolarHBondContact NZ-O 2.89Å
288L95.7Very high92.5Very high34 Ų3444.9 Ų44.918%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-115129.3-173.8-179.975.2000110.5Y276 L277 A290 I314 M321 F323Y276-L288 CarbonylContact C-O 3.39Å; Y276-L288 VanDerWaalsContact CA-O 3.27Å; Y276-L288 WeakPolarHBondContact CA-O 3.39Å; L277-L288 HydrophobicContact CB-CB 4.45Å; L277-L288 HydrophobicContact CD2-CD2 4.45Å; L277-L288 PolarHBondContact N-O 3.26Å; L277-L288 PolarHBondContact O-N 2.82Å; L288-A290 PolarHBondContact O-N 2.97Å; L288-I314 HydrophobicContact CD2-CG2 3.69Å; L288-M321 HydrophobicContact CD2-CB 4.42Å; L288-F323 HydrophobicContact CD2-CB 3.97Å; L288-F323 HydrophobicContact CD2-CD1 4.44Å
289K96.1Very high92.4Very high62 Ų6249.3 Ų49.327%0.2726%0.256SS..EExtended strand (participates in β ladder)trans-76109.4166.7-171.1178.8-173.11690109Y274 Y276 S291Y274-K289 VanDerWaalsContact CD1-NZ 3.31Å; Y274-K289 VanDerWaalsContact CE1-NZ 3.26Å; Y276-K289 HydrophobicContact CD1-CB 4.12Å; Y276-K289 HydrophobicContact CE1-CB 3.67Å; Y276-K289 HydrophobicContact CE1-CG 4.01Å; K289-S291 VanDerWaalsContact C-N 3.31Å; K289-S291 WeakPolarHBondContact CE-O 3.34Å; K289-S291 WeakPolarHBondContact CG-O 3.49Å; K289-S291 PolarHBondContact O-N 2.78Å
290A93.8Very high92.4Very high2 Ų252 Ų522%0.01727%0.266CS..  trans-73.3-21.8-172.500000113.5L275 L288 I314 V316 M321L275-A290 HydrophobicContact CB-CB 4.23Å; L275-A290 HydrophobicContact CD2-CB 4.05Å; L275-A290 HydrophobicContact CG-CB 4.07Å; L275-A290 WeakPolarHBondContact O-CB 3.32Å; L275-A290 PolarHBondContact O-N 3.5Å; L288-A290 PolarHBondContact O-N 2.97Å; A290-I314 HydrophobicContact CB-CD1 3.85Å; A290-I314 HydrophobicContact CB-CG1 4.19Å; A290-I314 HydrophobicContact CB-CG2 3.74Å; A290-V316 HydrophobicContact CB-CG2 3.9Å; A290-M321 WeakPolarHBondContact O-CG 3.46Å
291S88.9Confident92.4Very high22 Ų2251 Ų5115%0.15426%0.261CS..  trans-144.9142.3178.81760000112.2K289 K293K289-S291 VanDerWaalsContact C-N 3.31Å; K289-S291 WeakPolarHBondContact CE-O 3.34Å; K289-S291 WeakPolarHBondContact CG-O 3.49Å; K289-S291 PolarHBondContact O-N 2.78Å; S291-K293 VanDerWaalsContact C-N 3.25Å; S291-K293 PolarHBondContact O-N 3.46Å; S291-K293 PolarHBondContact OG-N 2.95Å; S291-K293 PolarHBondContact OG-O 3.33Å; S291-K293 VanDerWaalsContact OG-O 3.12Å
292N89.3Confident92.5Very high136 Ų13652.4 Ų52.473%0.72727%0.267SS*.SBendtrans-80.4-5.6171.6-71.5-28000113.3Y274Y274-N292 WeakPolarHBondContact CE1-O 3.41Å
293K93.9Very high93.1Very high138 Ų13851 Ų5160%0.625%0.253SS*.SBendtrans-108.9149.3175.9-66.1-173.4177.5-173.60110.2Y274 S291Y274-K293 WeakPolarHBondContact CD1-O 3.47Å; S291-K293 VanDerWaalsContact C-N 3.25Å; S291-K293 PolarHBondContact O-N 3.46Å; S291-K293 PolarHBondContact OG-N 2.95Å; S291-K293 PolarHBondContact OG-O 3.33Å; S291-K293 VanDerWaalsContact OG-O 3.12Å
294K96.7Very high93.5Very high115 Ų11549.9 Ų49.950%0.524%0.244SC..  trans-66.3143.8167.8-63.8-169.2179.1-158.50109.5D272 G273 Y274D272-K294 WeakPolarHBondContact O-CE 3.46Å; D272-K294 PolarHBondContact O-NZ 3.01Å; D272-K294 VanDerWaalsContact O-NZ 3.14Å; G273-K294 CarbonylContact O-C 3.53Å; G273-K294 WeakPolarHBondContact O-CA 3.08Å; Y274-K294 HydrophobicContact CD1-CG 4.33Å; Y274-K294 HydrophobicContact CD2-CG 4.46Å; Y274-K294 HydrophobicContact CE1-CG 3.92Å; Y274-K294 HydrophobicContact CE2-CG 4.05Å
295V96.7Very high94.1Very high9 Ų948.8 Ų48.86%0.05523%0.233CC..  trans-123.817.3-174.4-66.10000111.7F233 L270 G273 L275 V316F233-V295 HydrophobicContact CE2-CG2 4.24Å; F233-V295 HydrophobicContact CZ-CB 3.98Å; F233-V295 HydrophobicContact CZ-CG2 3.67Å; L270-V295 HydrophobicContact CD2-CG2 3.6Å; G273-V295 WeakPolarHBondContact O-CG2 3.35Å; G273-V295 PolarHBondContact O-N 3.25Å; L275-V295 HydrophobicContact CB-CG2 4.09Å; V295-V316 HydrophobicContact CG1-CG1 4.07Å
296N96.8Very high94.2Very high31 Ų3146.2 Ų46.217%0.16622%0.222CC..  trans-106.73917572.4-48.1000111.7T235 T236 E237 G273 G298T235-N296 HydrophobicContact CG2-CB 4.27Å; T235-N296 CarbonylContact O-C 3.53Å; T235-N296 WeakPolarHBondContact O-CA 3.46Å; T236-N296 WeakPolarHBondContact CA-O 3.21Å; T236-N296 PolarHBondContact O-ND2 2.82Å; E237-N296 VanDerWaalsContact O-CB 3.32Å; E237-N296 WeakPolarHBondContact O-CB 3.48Å; G273-N296 VanDerWaalsContact CA-OD1 3.26Å; G273-N296 WeakPolarHBondContact CA-OD1 3.3Å; N296-G298 PolarHBondContact O-N 2.82Å
297D95.2Very high94.1Very high98 Ų9845.8 Ų45.852%0.52422%0.218SC..SBendtrans-83.6-0.3179.256.77.1000113.3E299 R399D297-E299 VanDerWaalsContact C-N 3.35Å; D297-E299 WeakPolarHBondContact OD1-CB 3.33Å; D297-E299 PolarHBondContact OD1-N 2.79Å; D297-R399 PolarHBondContact O-NH1 2.7Å
298G94.9Very high93.9Very high0 Ų049 Ų490%023%0.234CC..SBendtrans73.625.6-174.900000112.9R234 T235 N296 R399R234-G298 PolarHBondContact NE-O 3.5Å; R234-G298 PolarHBondContact NH2-O 3.28Å; T235-G298 VanDerWaalsContact O-CA 3.32Å; T235-G298 WeakPolarHBondContact O-CA 3.13Å; T235-G298 PolarHBondContact O-N 3.31Å; N296-G298 PolarHBondContact O-N 2.82Å; G298-R399 PolarHBondContact O-NH1 3.25Å
299E95Very high93.6Very high94 Ų9447.5 Ų47.544%0.43923%0.227SC..SBendtrans-111159.4168.5-64.5-53.712300111.8R234 D297 C301 R399R234-E299 IonicContact NH2-OE1 3.48Å; R234-E299 PolarHBondContact NH2-OE1 2.04Å; R234-E299 IonicContact NH2-OE2 3.61Å; D297-E299 VanDerWaalsContact C-N 3.35Å; D297-E299 WeakPolarHBondContact OD1-CB 3.33Å; D297-E299 PolarHBondContact OD1-N 2.79Å; E299-C301 PolarHBondContact O-N 3.46Å; E299-R399 IonicContact OE1-NH1 3.96Å; E299-R399 PolarHBondContact OE1-NH1 2.88Å
300W93.5Very high93.4Very high58 Ų5847.2 Ų47.222%0.2223%0.225CC..  trans-67.7124.4178.3-77.4111.3000110.6P206 D232 R234 C368 R370 C397P206-W300 HydrophobicContact CB-CH2 3.91Å; P206-W300 HydrophobicContact CB-CZ2 4.15Å; D232-W300 HydrophobicContact CB-CE3 3.77Å; D232-W300 HydrophobicContact CB-CZ3 4.05Å; R234-W300 HydrophobicContact CB-CD2 3.9Å; R234-W300 HydrophobicContact CB-CE3 3.66Å; R234-W300 HydrophobicContact CB-CG 4.46Å; R234-W300 HydrophobicContact CB-CH2 4.47Å; R234-W300 HydrophobicContact CB-CZ3 3.97Å; W300-C368 HydrophobicContact CH2-CB 3.52Å; W300-C368 HydrophobicContact CZ2-CB 4.18Å; W300-C368 HydrophobicContact CZ3-CB 4.03Å; W300-R370 HydrophobicContact CE3-CG 4.33Å; W300-R370 HydrophobicContact CH2-CB 4.19Å; W300-R370 HydrophobicContact CH2-CG 3.73Å; W300-R370 HydrophobicContact CZ2-CG 4.41Å; W300-R370 HydrophobicContact CZ3-CB 4.43Å; W300-R370 HydrophobicContact CZ3-CG 3.69Å; W300-C397 HydrophobicContact CH2-CB 4.37Å; W300-C397 HydrophobicContact CZ2-CB 4.07Å; W300-C397 VanDerWaalsContact CZ2-SG 3.59Å
301C94.7Very high93.3Very high3 Ų354.1 Ų54.12%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-115.3117.6179.4-176.30000109.7D232 F233 E299 V316 N317D232-C301 WeakPolarHBondContact CA-O 3.34Å; F233-C301 HydrophobicContact CD1-CB 4.22Å; F233-C301 HydrophobicContact CE1-CB 3.81Å; F233-C301 HydrophobicContact CE2-CB 4.29Å; F233-C301 HydrophobicContact CZ-CB 3.84Å; F233-C301 PolarHBondContact N-O 2.81Å; F233-C301 PolarHBondContact O-N 2.92Å; E299-C301 PolarHBondContact O-N 3.46Å; C301-V316 VanDerWaalsContact SG-CG1 3.5Å; C301-N317 WeakPolarHBondContact CA-OD1 3.5Å
302H93.4Very high93.4Very high32 Ų3253.8 Ų53.815%0.14826%0.255CS..EExtended strand (participates in β ladder)trans-84.7130.1176.1-175.365.3000110.5N43 D232 V316 N317N43-H302 PolarHBondContact ND2-CE1 3.19Å; N43-H302 PolarHBondContact ND2-NE2 3.49Å; D232-H302 WeakPolarHBondContact OD1-CA 3.39Å; D232-H302 WeakPolarHBondContact OD1-CB 3.3Å; D232-H302 IonicContact OD1-CE1 3.96Å; D232-H302 IonicContact OD1-CG 2.77Å; D232-H302 IonicContact OD1-ND1 2.87Å; D232-H302 PolarHBondContact OD1-ND1 2.77Å; H302-V316 WeakPolarHBondContact O-CA 3.09Å; H302-N317 PolarHBondContact N-OD1 2.93Å; H302-N317 PolarHBondContact O-N 3.12Å
303V95.6Very high93.6Very high0 Ų048.8 Ų48.80%023%0.23CC..EExtended strand (participates in β ladder)trans-120.6132175.9-176.40000108.9S230 F231 F233 M268 L275 I314 S315S230-V303 CarbonylContact C-O 3.54Å; S230-V303 WeakPolarHBondContact CA-O 3.29Å; S230-V303 VanDerWaalsContact CB-O 3.3Å; S230-V303 WeakPolarHBondContact CB-O 3.48Å; F231-V303 HydrophobicContact CD1-CB 4.5Å; F231-V303 HydrophobicContact CE1-CB 4.18Å; F231-V303 HydrophobicContact CE1-CG1 4.22Å; F231-V303 HydrophobicContact CZ-CB 4.26Å; F231-V303 HydrophobicContact CZ-CG1 4.44Å; F231-V303 HydrophobicContact CZ-CG2 4.41Å; F231-V303 PolarHBondContact N-O 2.93Å; F231-V303 PolarHBondContact O-N 2.82Å; F233-V303 HydrophobicContact CD1-CG2 3.78Å; F233-V303 HydrophobicContact CE1-CG2 3.51Å; M268-V303 HydrophobicContact CE-CG1 4.18Å; M268-V303 HydrophobicContact SD-CG1 4.1Å; L275-V303 HydrophobicContact CD2-CG1 4.08Å; L275-V303 HydrophobicContact CD2-CG2 3.68Å; V303-I314 HydrophobicContact CG1-CD1 4.07Å; V303-I314 HydrophobicContact CG1-CG1 4.14Å; V303-S315 WeakPolarHBondContact CA-O 3.47Å
304D93.2Very high93.6Very high12 Ų1242.2 Ų42.26%0.06420%0.201CC..EExtended strand (participates in β ladder)trans-135.6114172.3177.727.9000109.6S156 Q306 I314 S315S156-D304 PolarHBondContact OG-OD1 3.11Å; D304-Q306 PolarHBondContact OD2-NE2 3.23Å; D304-I314 CarbonylContact O-C 3.58Å; D304-I314 WeakPolarHBondContact O-CA 3.25Å; D304-S315 WeakPolarHBondContact CB-OG 3.39Å; D304-S315 PolarHBondContact N-O 3.35Å; D304-S315 PolarHBondContact O-N 3.16Å; D304-S315 PolarHBondContact O-OG 2.9Å
305F95Very high93.4Very high0 Ų037.5 Ų37.50%018%0.183CC..EExtended strand (participates in β ladder)trans-105.2133.1177.5165.3-89.5000109.6W221 S228 I229 F266 M268 L277 I279 R307 F323W221-F305 HydrophobicContact CH2-CD1 4.16Å; W221-F305 AromaticContact CH2-CE1 3.7Å; W221-F305 HydrophobicContact CH2-CE1 3.7Å; W221-F305 HydrophobicContact CZ2-CE1 4.42Å; S228-F305 CarbonylContact C-O 3.58Å; S228-F305 WeakPolarHBondContact CA-O 3.39Å; S228-F305 WeakPolarHBondContact CB-O 3.22Å; I229-F305 PolarHBondContact N-O 2.93Å; I229-F305 PolarHBondContact O-N 2.97Å; F266-F305 HydrophobicContact CD2-CZ 4.49Å; F266-F305 HydrophobicContact CE2-CD1 4.07Å; F266-F305 HydrophobicContact CE2-CD2 4.25Å; F266-F305 AromaticContact CE2-CE1 3.92Å; F266-F305 HydrophobicContact CE2-CE1 3.92Å; F266-F305 HydrophobicContact CE2-CE2 4.03Å; F266-F305 HydrophobicContact CE2-CG 4.25Å; F266-F305 AromaticContact CE2-CZ 3.85Å; F266-F305 HydrophobicContact CE2-CZ 3.85Å; F266-F305 HydrophobicContact CZ-CD1 4.31Å; F266-F305 HydrophobicContact CZ-CG 4.43Å; M268-F305 HydrophobicContact CE-CB 3.48Å; M268-F305 VanDerWaalsContact CE-CB 3.48Å; M268-F305 HydrophobicContact CE-CD2 4.47Å; M268-F305 HydrophobicContact CE-CG 4.05Å; L277-F305 HydrophobicContact CD1-CD2 3.91Å; L277-F305 HydrophobicContact CD1-CE2 3.88Å; L277-F305 HydrophobicContact CD2-CD2 3.82Å; L277-F305 HydrophobicContact CD2-CE2 3.7Å; L277-F305 HydrophobicContact CG-CE2 4.45Å; I279-F305 HydrophobicContact CD1-CZ 4.5Å; F305-R307 HydrophobicContact CE1-CB 4.27Å; F305-R307 HydrophobicContact CE1-CG 4.05Å; F305-R307 HydrophobicContact CZ-CB 3.87Å; F305-R307 HydrophobicContact CZ-CG 3.96Å; F305-F323 HydrophobicContact CD2-CE1 4.25Å; F305-F323 AromaticContact CE2-CE1 3.61Å; F305-F323 HydrophobicContact CE2-CE1 3.61Å; F305-F323 AromaticContact CE2-CZ 3.62Å; F305-F323 HydrophobicContact CE2-CZ 3.62Å; F305-F323 HydrophobicContact CZ-CE1 4.47Å; F305-F323 HydrophobicContact CZ-CZ 4.12Å
306Q92.2Very high93.3Very high35 Ų3537.4 Ų37.416%0.16418%0.182CC..EExtended strand (participates in β ladder)trans-141.8141.6177.9-55.1179.613.200109.9A148 D304 G312 S313A148-Q306 HydrophobicContact CB-CG 4.25Å; D304-Q306 PolarHBondContact OD2-NE2 3.23Å; Q306-G312 CarbonylContact O-C 3.57Å; Q306-G312 WeakPolarHBondContact O-CA 3.35Å; Q306-S313 PolarHBondContact N-O 3.39Å; Q306-S313 PolarHBondContact O-N 2.89Å
307R91Very high92.9Very high10 Ų1040 Ų404%0.03820%0.197CC..EExtended strand (participates in β ladder)trans-141.8150.2174.772.7172.6-165.394.86.9113.1T223 K224 K225 T226 G227 F305 G309 K311 F323 E330T223-R307 PolarHBondContact OG1-NH2 2.64Å; K224-R307 PolarHBondContact O-NH2 3.42Å; K225-R307 PolarHBondContact O-NH1 3.4Å; K225-R307 VanDerWaalsContact O-NH1 3.1Å; T226-R307 VanDerWaalsContact CA-O 3.32Å; T226-R307 WeakPolarHBondContact CA-O 3.31Å; G227-R307 PolarHBondContact N-O 3.43Å; G227-R307 PolarHBondContact O-N 3.03Å; F305-R307 HydrophobicContact CE1-CB 4.27Å; F305-R307 HydrophobicContact CE1-CG 4.05Å; F305-R307 HydrophobicContact CZ-CB 3.87Å; F305-R307 HydrophobicContact CZ-CG 3.96Å; R307-G309 PolarHBondContact NH1-O 3.26Å; R307-G309 VanDerWaalsContact NH1-O 3.17Å; R307-K311 WeakPolarHBondContact CA-O 3.49Å; R307-F323 HydrophobicContact CB-CZ 4.32Å; R307-E330 PolarHBondContact NH1-O 2.77Å
308E89.4Confident92.3Very high137 Ų13738.6 Ų38.664%0.6419%0.194SC*.EExtended strand (participates in β ladder)trans-133.1107.5166.7-175.8-174.9-175.700109.4T226 R310 K311T226-E308 HydrophobicContact CG2-CB 4.19Å; T226-E308 HydrophobicContact CG2-CG 3.89Å; E308-R310 PolarHBondContact O-N 2.74Å; E308-K311 CarbonylContact C-O 3.53Å; E308-K311 PolarHBondContact N-O 2.64Å; E308-K311 PolarHBondContact O-N 3.27Å; E308-K311 VanDerWaalsContact O-N 3.11Å; E308-K311 VanDerWaalsContact O-O 3.08Å
309G89.9Confident92Very high3 Ų347.4 Ų47.43%0.03123%0.227CC..THydrogen-bonded Turntrans58.5-117.5-172.900000111K225 R307 E330K225-G309 WeakPolarHBondContact O-CA 3.41Å; K225-G309 PolarHBondContact O-N 3.1Å; R307-G309 PolarHBondContact NH1-O 3.26Å; R307-G309 VanDerWaalsContact NH1-O 3.17Å; G309-E330 WeakPolarHBondContact CA-O 3.42Å
310R91.6Very high91.7Very high56 Ų5646.2 Ų46.221%0.21123%0.229CC..THydrogen-bonded Turntrans-87.9-15.4179.8-62.8-173.7-61.1123.4-8.5114.5M281 E308 L324 S325 P326 S329 E330M281-R310 HydrophobicContact CE-CG 4.25Å; E308-R310 PolarHBondContact O-N 2.74Å; R310-L324 HydrophobicContact CB-CD1 4.1Å; R310-L324 WeakPolarHBondContact O-CA 3.44Å; R310-S325 PolarHBondContact NH1-O 2.7Å; R310-S325 PolarHBondContact O-N 2.96Å; R310-S325 PolarHBondContact O-OG 3.43Å; R310-P326 WeakPolarHBondContact CD-O 3.22Å; R310-S329 VanDerWaalsContact CG-O 3.3Å; R310-S329 WeakPolarHBondContact CG-O 3.17Å; R310-E330 HydrophobicContact CG-CB 4.37Å; R310-E330 HydrophobicContact CG-CG 4.05Å
311K92.2Very high91.6Very high148 Ų14846.8 Ų46.864%0.64324%0.235SC*.EExtended strand (participates in β ladder)trans-96.1145-179.6-68.5176.4-177.5177.90108.7R307 E308 L324R307-K311 WeakPolarHBondContact CA-O 3.49Å; E308-K311 CarbonylContact C-O 3.53Å; E308-K311 PolarHBondContact N-O 2.64Å; E308-K311 PolarHBondContact O-N 3.27Å; E308-K311 VanDerWaalsContact O-N 3.11Å; E308-K311 VanDerWaalsContact O-O 3.08Å; K311-L324 HydrophobicContact CG-CD1 3.69Å
312G91.4Very high91.6Very high15 Ų1551.3 Ų51.316%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-167.7-178.117300000111.4Q306 P322 F323Q306-G312 CarbonylContact O-C 3.57Å; Q306-G312 WeakPolarHBondContact O-CA 3.35Å; G312-P322 CarbonylContact O-C 3.6Å; G312-P322 WeakPolarHBondContact O-CA 3.17Å; G312-F323 VanDerWaalsContact C-CD1 3.47Å; G312-F323 PolarHBondContact N-O 2.77Å; G312-F323 VanDerWaalsContact N-O 3.11Å; G312-F323 WeakPolarHBondContact O-CD1 3.25Å; G312-F323 PolarHBondContact O-N 2.96Å
313S92.6Very high91.6Very high30 Ų3050.7 Ų50.721%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-144.8151.1171.670.70000110.7Q306 S320 M321Q306-S313 PolarHBondContact N-O 3.39Å; Q306-S313 PolarHBondContact O-N 2.89Å; S313-S320 VanDerWaalsContact CB-OG 3.32Å; S313-S320 WeakPolarHBondContact CB-OG 3.43Å; S313-S320 PolarHBondContact OG-OG 3.01Å; S313-M321 WeakPolarHBondContact CA-O 3.33Å
314I94.9Very high91.6Very high0 Ų055.7 Ų55.70%029%0.288CS..EExtended strand (participates in β ladder)trans-118.8128.5166.8-174.6165.1000107.8M268 L275 L277 L288 A290 V303 D304 M321M268-I314 HydrophobicContact CE-CD1 3.89Å; M268-I314 HydrophobicContact SD-CD1 4.31Å; L275-I314 HydrophobicContact CD2-CD1 4.34Å; L277-I314 HydrophobicContact CB-CD1 3.97Å; L277-I314 HydrophobicContact CD2-CB 4.31Å; L277-I314 HydrophobicContact CD2-CG2 4.31Å; L288-I314 HydrophobicContact CD2-CG2 3.69Å; A290-I314 HydrophobicContact CB-CD1 3.85Å; A290-I314 HydrophobicContact CB-CG1 4.19Å; A290-I314 HydrophobicContact CB-CG2 3.74Å; V303-I314 HydrophobicContact CG1-CD1 4.07Å; V303-I314 HydrophobicContact CG1-CG1 4.14Å; D304-I314 CarbonylContact O-C 3.58Å; D304-I314 WeakPolarHBondContact O-CA 3.25Å; I314-M321 HydrophobicContact CG2-CB 4.25Å; I314-M321 PolarHBondContact N-O 2.97Å; I314-M321 PolarHBondContact O-N 3.33Å
315S91.9Very high91.5Very high16 Ų1655.3 Ų55.311%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-110.5137.4176.883.80000111V303 D304 R319V303-S315 WeakPolarHBondContact CA-O 3.47Å; D304-S315 WeakPolarHBondContact CB-OG 3.39Å; D304-S315 PolarHBondContact N-O 3.35Å; D304-S315 PolarHBondContact O-N 3.16Å; D304-S315 PolarHBondContact O-OG 2.9Å; S315-R319 VanDerWaalsContact CA-O 3.26Å; S315-R319 WeakPolarHBondContact CA-O 3.28Å
316V94.2Very high91.3Very high7 Ų757.8 Ų57.84%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-124.1115177-177.80000107.6L275 A290 V295 C301 H302 S318 R319L275-V316 HydrophobicContact CD2-CG2 3.86Å; A290-V316 HydrophobicContact CB-CG2 3.9Å; V295-V316 HydrophobicContact CG1-CG1 4.07Å; C301-V316 VanDerWaalsContact SG-CG1 3.5Å; H302-V316 WeakPolarHBondContact O-CA 3.09Å; V316-S318 VanDerWaalsContact C-N 3.29Å; V316-S318 PolarHBondContact O-N 2.99Å; V316-R319 PolarHBondContact N-O 3.47Å; V316-R319 WeakPolarHBondContact O-CB 3.38Å; V316-R319 PolarHBondContact O-N 2.83Å
317N89.4Confident91Very high87 Ų8764 Ų6447%0.46533%0.331SS..THydrogen-bonded Turntrans47.951.5-173.9-64.2-28.1000112C301 H302 R319C301-N317 WeakPolarHBondContact CA-OD1 3.5Å; H302-N317 PolarHBondContact N-OD1 2.93Å; H302-N317 PolarHBondContact O-N 3.12Å; N317-R319 PolarHBondContact O-N 2.86Å; N317-R319 VanDerWaalsContact O-N 3.16Å
318S82.2Confident90.8Very high68 Ų6866.2 Ų66.248%0.47636%0.357SS..THydrogen-bonded Turntrans68.11.1-179.1-47.20000116.6S62 V316S62-S318 PolarHBondContact OG-OG 2.85Å; V316-S318 VanDerWaalsContact C-N 3.29Å; V316-S318 PolarHBondContact O-N 2.99Å
319R88.9Confident90.6Very high185 Ų18561.7 Ų61.770%0.69834%0.34SS*.EExtended strand (participates in β ladder)trans-90.2107.2171.8-64.8-177.5-179.7-133.7-4.5109.5S315 V316 N317S315-R319 VanDerWaalsContact CA-O 3.26Å; S315-R319 WeakPolarHBondContact CA-O 3.28Å; V316-R319 PolarHBondContact N-O 3.47Å; V316-R319 WeakPolarHBondContact O-CB 3.38Å; V316-R319 PolarHBondContact O-N 2.83Å; N317-R319 PolarHBondContact O-N 2.86Å; N317-R319 VanDerWaalsContact O-N 3.16Å
320S88.3Confident90.6Very high68 Ų6865.2 Ų65.248%0.47636%0.356SS..EExtended strand (participates in β ladder)trans-85.2135.1-178.7-173.40000112.2S313S313-S320 VanDerWaalsContact CB-OG 3.32Å; S313-S320 WeakPolarHBondContact CB-OG 3.43Å; S313-S320 PolarHBondContact OG-OG 3.01Å
321M92.6Very high90.6Very high71 Ų7166.7 Ų66.735%0.3537%0.367SS..EExtended strand (participates in β ladder)trans-117.1110.3172-75-62.9-62.700108.7L288 A290 S313 I314L288-M321 HydrophobicContact CD2-CB 4.42Å; A290-M321 WeakPolarHBondContact O-CG 3.46Å; S313-M321 WeakPolarHBondContact CA-O 3.33Å; I314-M321 HydrophobicContact CG2-CB 4.25Å; I314-M321 PolarHBondContact N-O 2.97Å; I314-M321 PolarHBondContact O-N 3.33Å
322P94Very high90.5Very high98 Ų9859.7 Ų59.764%0.63634%0.337SS*.EExtended strand (participates in β ladder)trans-73.4152.1176.731.1-34.4000111G312G312-P322 CarbonylContact O-C 3.6Å; G312-P322 WeakPolarHBondContact O-CA 3.17Å
323F93.9Very high90.5Very high19 Ų1963.4 Ų63.48%0.08335%0.353CS..EExtended strand (participates in β ladder)trans-138.4157.8170.972.9-87.9000111.7L277 I279 T286 L288 F305 R307 G312L277-F323 HydrophobicContact CD2-CD1 3.9Å; L277-F323 HydrophobicContact CD2-CE1 3.73Å; L277-F323 HydrophobicContact CD2-CZ 4.22Å; I279-F323 HydrophobicContact CG2-CE2 4.15Å; T286-F323 HydrophobicContact CG2-CD2 4.26Å; L288-F323 HydrophobicContact CD2-CB 3.97Å; L288-F323 HydrophobicContact CD2-CD1 4.44Å; F305-F323 HydrophobicContact CD2-CE1 4.25Å; F305-F323 AromaticContact CE2-CE1 3.61Å; F305-F323 HydrophobicContact CE2-CE1 3.61Å; F305-F323 AromaticContact CE2-CZ 3.62Å; F305-F323 HydrophobicContact CE2-CZ 3.62Å; F305-F323 HydrophobicContact CZ-CE1 4.47Å; F305-F323 HydrophobicContact CZ-CZ 4.12Å; R307-F323 HydrophobicContact CB-CZ 4.32Å; G312-F323 VanDerWaalsContact C-CD1 3.47Å; G312-F323 PolarHBondContact N-O 2.77Å; G312-F323 VanDerWaalsContact N-O 3.11Å; G312-F323 WeakPolarHBondContact O-CD1 3.25Å; G312-F323 PolarHBondContact O-N 2.96Å
324L93.9Very high90.4Very high105 Ų10562.1 Ų62.155%0.5534%0.344SS..EExtended strand (participates in β ladder)trans-132.9122173.9177.565.9000108.3R310 K311R310-L324 HydrophobicContact CB-CD1 4.1Å; R310-L324 WeakPolarHBondContact O-CA 3.44Å; K311-L324 HydrophobicContact CG-CD1 3.69Å
325S91.1Very high90.2Very high4 Ų464.6 Ų64.63%0.02836%0.357CS..PPolyproline II helixtrans-77.7154.1177.1-53.70000111.4M281 R310M281-S325 WeakPolarHBondContact CE-OG 3.32Å; R310-S325 PolarHBondContact NH1-O 2.7Å; R310-S325 PolarHBondContact O-N 2.96Å; R310-S325 PolarHBondContact O-OG 3.43Å
326P90.9Very high90.1Very high51 Ų5164.6 Ų64.633%0.33136%0.357SS..PPolyproline II helixtrans-51150.7178.3-2835.4000113.8S283 T286 R310 G328S283-P326 PolarHBondContact OG-O 2.89Å; T286-P326 WeakPolarHBondContact OG1-CD 3.37Å; R310-P326 WeakPolarHBondContact CD-O 3.22Å; P326-G328 PolarHBondContact O-N 3.16Å
327E86.9Confident90Very high167 Ų16767.9 Ų67.978%0.7837%0.374SS*.SBendtrans-58.9137177.8-65.6-161.5156.400112.1S283S283-E327 VanDerWaalsContact CB-O 3.3Å; S283-E327 WeakPolarHBondContact CB-O 2.94Å
328G86.2Confident90.2Very high56 Ų5663.7 Ų63.758%0.57735%0.352SS*.SBendtrans138.2-120.6-177.800000111P326P326-G328 PolarHBondContact O-N 3.16Å
329S86.4Confident90.9Very high41 Ų4162 Ų6229%0.28734%0.335SS..  trans-65.4140.9-175.4-172.40000112.6M281 S283 R310 I331M281-S329 WeakPolarHBondContact O-CB 3.5Å; M281-S329 PolarHBondContact O-OG 3.4Å; S283-S329 PolarHBondContact OG-N 2.93Å; R310-S329 VanDerWaalsContact CG-O 3.3Å; R310-S329 WeakPolarHBondContact CG-O 3.17Å; S329-I331 PolarHBondContact OG-N 2.9Å; S329-I331 PolarHBondContact OG-O 2.79Å; S329-I331 VanDerWaalsContact OG-O 3.11Å
330E89.5Confident91.4Very high78 Ų7853.2 Ų53.236%0.36430%0.302SS..  trans-108.3-2.3171.4-46-162.2144.700112.1K225 R307 G309 R310K225-E330 VanDerWaalsContact CE-OE2 3.24Å; K225-E330 WeakPolarHBondContact CE-OE2 3.46Å; K225-E330 IonicContact NZ-OE2 3.83Å; K225-E330 PolarHBondContact NZ-OE2 2.84Å; R307-E330 PolarHBondContact NH1-O 2.77Å; G309-E330 WeakPolarHBondContact CA-O 3.42Å; R310-E330 HydrophobicContact CG-CB 4.37Å; R310-E330 HydrophobicContact CG-CG 4.05Å
331I90.5Very high91.8Very high87 Ų8750 Ų5045%0.44628%0.28SS..  trans-107.8131.4-173.8-60.3176.3000108.7K224 M281 S329 D333K224-I331 VanDerWaalsContact O-CA 3.3Å; K224-I331 WeakPolarHBondContact O-CA 3.44Å; M281-I331 WeakPolarHBondContact CB-O 3.35Å; S329-I331 PolarHBondContact OG-N 2.9Å; S329-I331 PolarHBondContact OG-O 2.79Å; S329-I331 VanDerWaalsContact OG-O 3.11Å; I331-D333 HydrophobicContact CG2-CB 4.44Å
332L90.9Very high92Very high0 Ų046.7 Ų46.70%026%0.264CS..  trans-102.897.3170.3-177.371.8000107.9W221 T223 K224 D264 F266 I279 D280 M281 L334W221-L332 HydrophobicContact CZ3-CD2 4.17Å; T223-L332 HydrophobicContact CG2-CB 4.39Å; T223-L332 HydrophobicContact CG2-CD2 4.01Å; T223-L332 HydrophobicContact CG2-CG 4.48Å; K224-L332 PolarHBondContact O-N 2.77Å; D264-L332 HydrophobicContact CB-CD1 4.17Å; F266-L332 HydrophobicContact CB-CD2 4.12Å; I279-L332 HydrophobicContact CD1-CD1 4.25Å; I279-L332 HydrophobicContact CD1-CD2 4.04Å; I279-L332 HydrophobicContact CG1-CD1 3.95Å; I279-L332 HydrophobicContact CG1-CD2 4.46Å; D280-L332 WeakPolarHBondContact O-CD1 3.47Å; M281-L332 HydrophobicContact CG-CB 3.91Å; M281-L332 HydrophobicContact CG-CD1 3.79Å; M281-L332 HydrophobicContact CG-CG 4.46Å; M281-L332 HydrophobicContact SD-CB 4.36Å; L332-L334 HydrophobicContact CD1-CD2 4.09Å; L332-L334 HydrophobicContact CD2-CD1 3.99Å; L332-L334 HydrophobicContact CD2-CD2 4.27Å; L332-L334 HydrophobicContact CD2-CG 4.1Å; L332-L334 HydrophobicContact CG-CD1 4.38Å; L332-L334 HydrophobicContact CG-CD2 3.96Å; L332-L334 HydrophobicContact CG-CG 3.93Å; L332-L334 PolarHBondContact O-N 3.09Å
333D90.6Very high92Very high94 Ų9443 Ų4350%0.50324%0.239SC..  trans-93.584.8-177.8-16923000111G247 D264 I331G247-D333 WeakPolarHBondContact CA-O 3.45Å; D264-D333 PolarHBondContact OD2-N 3.26Å; I331-D333 HydrophobicContact CG2-CB 4.44Å
334L92Very high91.9Very high3 Ų343.2 Ų43.22%0.01624%0.242CC..  trans-78.5142.2174.3-56.4177.5000109.8K220 W221 T223 F266 L332K220-L334 WeakPolarHBondContact CE-O 3.4Å; K220-L334 PolarHBondContact NZ-O 3.38Å; K220-L334 VanDerWaalsContact NZ-O 3.11Å; W221-L334 HydrophobicContact CB-CD1 4.32Å; W221-L334 HydrophobicContact CD2-CD1 4.32Å; W221-L334 HydrophobicContact CE3-CD1 3.54Å; W221-L334 HydrophobicContact CZ3-CD1 4.26Å; T223-L334 HydrophobicContact CG2-CD1 4.38Å; F266-L334 HydrophobicContact CB-CD1 4.39Å; L332-L334 HydrophobicContact CD1-CD2 4.09Å; L332-L334 HydrophobicContact CD2-CD1 3.99Å; L332-L334 HydrophobicContact CD2-CD2 4.27Å; L332-L334 HydrophobicContact CD2-CG 4.1Å; L332-L334 HydrophobicContact CG-CD1 4.38Å; L332-L334 HydrophobicContact CG-CD2 3.96Å; L332-L334 HydrophobicContact CG-CG 3.93Å; L332-L334 PolarHBondContact O-N 3.09Å
335D89.4Confident91.3Very high51 Ų5146.5 Ų46.527%0.27325%0.254SS..  trans-127.3-30.4177.6-164.858.7000114.1K220 H246 R248K220-D335 IonicContact NZ-OD1 3.69Å; K220-D335 PolarHBondContact NZ-OD1 2.86Å; H246-D335 PolarHBondContact O-N 3.25Å; R248-D335 HydrophobicContact CG-CB 3.67Å; R248-D335 WeakPolarHBondContact CG-OD2 3.45Å; R248-D335 IonicContact CZ-OD1 2.77Å; R248-D335 IonicContact CZ-OD2 3.74Å; R248-D335 VanDerWaalsContact CZ-OD2 3.32Å; R248-D335 IonicContact NE-OD1 3.71Å; R248-D335 IonicContact NE-OD2 2.7Å; R248-D335 PolarHBondContact NE-OD2 2.94Å; R248-D335 IonicContact NH2-OD1 3.98Å; R248-D335 PolarHBondContact NH2-OD1 3.07Å; R248-D335 IonicContact NH2-OD2 3.75Å; R248-D335 PolarHBondContact NH2-OD2 3.05Å; R248-D335 VanDerWaalsContact NH2-OD2 3.07Å
336S90.3Very high90.8Very high17 Ų1750.2 Ų50.212%0.11928%0.281CS..SBendtrans-68.3161.9173.880.90000111.5S245 H246S245-S336 PolarHBondContact OG-O 3.17Å; S245-S336 PolarHBondContact OG-OG 2.89Å; H246-S336 PolarHBondContact N-OG 3.5Å; H246-S336 WeakPolarHBondContact O-CB 3.02Å; H246-S336 PolarHBondContact O-N 3.04Å; H246-S336 PolarHBondContact O-OG 3.14Å
337D91.8Very high90.2Very high75 Ų7550.8 Ų50.840%0.40128%0.278SS..PPolyproline II helixtrans-54.6157.3159.3-72.5-12.9000110.2S217 S245 Y339S217-D337 WeakPolarHBondContact OG-CB 3.34Å; S217-D337 PolarHBondContact OG-OD2 3.2Å; S245-D337 PolarHBondContact OG-O 2.94Å; D337-Y339 HydrophobicContact CB-CE2 4.34Å
338M94.6Very high89.5Confident0 Ų047.2 Ų47.20%027%0.272CS..EExtended strand (participates in β ladder)trans-98.3125173177.9166.95500109.1L218 W221 I229 L243 I374L218-M338 WeakPolarHBondContact CA-O 3.42Å; L218-M338 HydrophobicContact CB-CB 4.14Å; L218-M338 HydrophobicContact CB-CE 4.2Å; L218-M338 WeakPolarHBondContact CB-O 3.23Å; L218-M338 HydrophobicContact CD1-CE 3.81Å; L218-M338 HydrophobicContact CD1-CG 4.18Å; L218-M338 PolarHBondContact N-O 3.49Å; L218-M338 PolarHBondContact O-N 2.67Å; W221-M338 HydrophobicContact CB-CE 4.25Å; I229-M338 HydrophobicContact CD1-CE 4.44Å; I229-M338 HydrophobicContact CD1-SD 3.92Å; L243-M338 HydrophobicContact CD2-CG 4.19Å; L243-M338 HydrophobicContact CD2-SD 4.21Å; M338-I374 HydrophobicContact CE-CD1 3.2Å; M338-I374 HydrophobicContact CE-CG1 3.9Å
339Y97Very high89.2Confident32 Ų3251.2 Ų51.213%0.12528%0.28CS..EExtended strand (participates in β ladder)trans-98.3135.1-177.8-60.7-84.7000110.4F215 L243 F244 D337 G342 L343 P344 L350F215-Y339 AromaticContact CD2-CD1 3.86Å; F215-Y339 HydrophobicContact CD2-CD1 3.86Å; F215-Y339 HydrophobicContact CD2-CE1 4.36Å; F215-Y339 HydrophobicContact CE2-CD1 4.2Å; F215-Y339 HydrophobicContact CE2-CE1 4.23Å; L243-Y339 CarbonylContact C-O 3.59Å; L243-Y339 VanDerWaalsContact CA-O 3.28Å; L243-Y339 WeakPolarHBondContact CA-O 3.48Å; F244-Y339 HydrophobicContact CD1-CD2 4.37Å; F244-Y339 PolarHBondContact N-O 3.01Å; F244-Y339 PolarHBondContact O-N 3.39Å; D337-Y339 HydrophobicContact CB-CE2 4.34Å; Y339-G342 WeakPolarHBondContact CB-O 3.38Å; Y339-L343 HydrophobicContact CD2-CD2 4.12Å; Y339-L343 HydrophobicContact CG-CD2 4.1Å; Y339-P344 HydrophobicContact CE1-CG 3.93Å; Y339-L350 HydrophobicContact CD2-CD2 4.47Å; Y339-L350 HydrophobicContact CE2-CD2 3.57Å
340L98.3Very high89.3Confident0 Ų050.1 Ų50.10%027%0.27CS..EExtended strand (participates in β ladder)trans-113.3129.6173177.371.2000109.7F209 F215 I216 L218 L242 L243 G342 V369 L372 V381F209-L340 WeakPolarHBondContact CE1-O 3.34Å; F209-L340 HydrophobicContact CE2-CD2 4.3Å; F209-L340 HydrophobicContact CE2-CG 4.2Å; F209-L340 HydrophobicContact CZ-CD2 4Å; F209-L340 HydrophobicContact CZ-CG 3.81Å; F215-L340 CarbonylContact C-O 3.56Å; F215-L340 VanDerWaalsContact CA-O 3.3Å; F215-L340 WeakPolarHBondContact CA-O 3.46Å; I216-L340 PolarHBondContact N-O 2.95Å; I216-L340 PolarHBondContact O-N 2.9Å; L218-L340 HydrophobicContact CD1-CB 3.94Å; L218-L340 HydrophobicContact CG-CB 4.2Å; L242-L340 CarbonylContact O-C 3.6Å; L242-L340 VanDerWaalsContact O-CA 3.31Å; L242-L340 WeakPolarHBondContact O-CA 3.21Å; L242-L340 WeakPolarHBondContact O-CD1 3.03Å; L243-L340 HydrophobicContact CD2-CB 4.1Å; L243-L340 HydrophobicContact CD2-CD1 3.68Å; L243-L340 HydrophobicContact CD2-CG 4.5Å; L243-L340 HydrophobicContact CG-CD1 4.15Å; L340-G342 VanDerWaalsContact C-N 3.33Å; L340-G342 PolarHBondContact O-N 2.95Å; L340-V369 HydrophobicContact CD1-CG1 4.25Å; L340-V369 HydrophobicContact CD1-CG2 4.38Å; L340-V369 HydrophobicContact CD2-CG1 4.12Å; L340-L372 HydrophobicContact CD2-CD2 4.45Å; L340-V381 HydrophobicContact CD2-CG1 3.7Å; L340-V381 HydrophobicContact CD2-CG2 4.47Å
341G97.4Very high89.2Confident0 Ų048.4 Ų48.40%026%0.263CS..SBendtrans90-32172.300000115.4A214 L241 L242 G364 Y365A214-G341 CarbonylContact O-C 3.51Å; L241-G341 CarbonylContact O-C 3.6Å; L241-G341 VanDerWaalsContact O-C 3.28Å; L241-G341 VanDerWaalsContact O-O 3.11Å; L242-G341 PolarHBondContact O-N 3.13Å; G341-G364 CarbonylContact O-C 3.54Å; G341-Y365 WeakPolarHBondContact O-CA 3.35Å; G341-Y365 WeakPolarHBondContact O-CB 3.5Å; G341-Y365 PolarHBondContact O-N 2.99Å
342G95.5Very high89.3Confident2 Ų245.8 Ų45.82%0.02125%0.25CS..SBendtrans-171.6-166.9-176.400000111.4A214 Y339 L340A214-G342 PolarHBondContact O-N 2.99Å; Y339-G342 WeakPolarHBondContact CB-O 3.38Å; L340-G342 VanDerWaalsContact C-N 3.33Å; L340-G342 PolarHBondContact O-N 2.95Å
343L95.3Very high89.4Confident21 Ų2146.2 Ų46.211%0.1125%0.253CS..  trans-126.6150.5175.1-63.4175.4000109.9L241 F244 Y339 L350 L352 A359L241-L343 HydrophobicContact CD2-CD1 3.86Å; L241-L343 HydrophobicContact CD2-CD2 3.88Å; L241-L343 HydrophobicContact CD2-CG 3.61Å; F244-L343 HydrophobicContact CB-CD2 4.19Å; F244-L343 HydrophobicContact CD1-CD2 3.55Å; F244-L343 HydrophobicContact CE1-CD2 4.32Å; F244-L343 HydrophobicContact CG-CD2 4.18Å; Y339-L343 HydrophobicContact CD2-CD2 4.12Å; Y339-L343 HydrophobicContact CG-CD2 4.1Å; L343-L350 HydrophobicContact CB-CD1 4.3Å; L343-L350 HydrophobicContact CD2-CD1 4.22Å; L343-L352 HydrophobicContact CD1-CD1 4.37Å; L343-L352 HydrophobicContact CD1-CD2 3.75Å; L343-A359 HydrophobicContact CD1-CB 3.78Å
344P92.4Very high89.5Confident23 Ų2342.4 Ų42.415%0.14923%0.233CC..  trans-58.7146.9171.124.7-34.2000111.7F215 Y339 S346 L350F215-P344 HydrophobicContact CE1-CB 3.95Å; F215-P344 HydrophobicContact CE2-CB 4.41Å; F215-P344 HydrophobicContact CZ-CB 3.77Å; Y339-P344 HydrophobicContact CE1-CG 3.93Å; P344-S346 VanDerWaalsContact C-N 3.31Å; P344-S346 PolarHBondContact O-N 3.04Å; P344-L350 HydrophobicContact CG-CD1 3.78Å
345E81.1Confident89.6Confident174 Ų17442.8 Ų42.881%0.81324%0.235SC*.SBendtrans-59.2-42.5177.9-67.5-175.3167.900111.9K347E345-K347 PolarHBondContact O-N 3.33Å; E345-K347 VanDerWaalsContact O-N 3.14Å
346S80.3Confident89.9Confident83 Ų8340.3 Ų40.358%0.5822%0.222SC*.  trans-7898.5173.4-172.70000110.2P344 S348P344-S346 VanDerWaalsContact C-N 3.31Å; P344-S346 PolarHBondContact O-N 3.04Å; S346-S348 VanDerWaalsContact C-N 3.3Å; S346-S348 PolarHBondContact O-N 3.14Å; S346-S348 PolarHBondContact OG-OG 3.41Å
347K78.3Confident90.2Very high63 Ų6341.8 Ų41.827%0.27423%0.225SC..  trans-88.511.3178.5-61.7175.7176.2-172.20113.5E345 D349 L350 L352 A359 N362E345-K347 PolarHBondContact O-N 3.33Å; E345-K347 VanDerWaalsContact O-N 3.14Å; K347-D349 PolarHBondContact O-N 3.39Å; K347-D349 VanDerWaalsContact O-N 3.16Å; K347-L350 HydrophobicContact CB-CB 4.5Å; K347-L350 HydrophobicContact CG-CD1 4.38Å; K347-L350 PolarHBondContact O-N 3.18Å; K347-L352 HydrophobicContact CD-CD1 3.91Å; K347-A359 PolarHBondContact NZ-O 3.26Å; K347-A359 VanDerWaalsContact NZ-O 3.14Å; K347-N362 PolarHBondContact NZ-OD1 2.68Å
348S72.1Confident90.5Very high92 Ų9238.2 Ų38.264%0.64321%0.206SC*.THydrogen-bonded Turntrans-56-34.2-17450.90000114S346S346-S348 VanDerWaalsContact C-N 3.3Å; S346-S348 PolarHBondContact O-N 3.14Å; S346-S348 PolarHBondContact OG-OG 3.41Å
349D79.1Confident90.6Very high140 Ų14038.3 Ų38.375%0.74921%0.207SC*.THydrogen-bonded Turntrans-101.7-1.2-178.1-57.9-46.3000113K347K347-D349 PolarHBondContact O-N 3.39Å; K347-D349 VanDerWaalsContact O-N 3.16Å
350L88Confident90.4Very high17 Ų1737.7 Ų37.79%0.08921%0.205CC..  trans-95127.3-178.4-67.2178.8000111.3Y339 L343 P344 K347 L352Y339-L350 HydrophobicContact CD2-CD2 4.47Å; Y339-L350 HydrophobicContact CE2-CD2 3.57Å; L343-L350 HydrophobicContact CB-CD1 4.3Å; L343-L350 HydrophobicContact CD2-CD1 4.22Å; P344-L350 HydrophobicContact CG-CD1 3.78Å; K347-L350 HydrophobicContact CB-CB 4.5Å; K347-L350 HydrophobicContact CG-CD1 4.38Å; K347-L350 PolarHBondContact O-N 3.18Å; L350-L352 HydrophobicContact CB-CD2 4.13Å
351I89.3Confident90.3Very high43 Ų4337.7 Ų37.722%0.22121%0.205CC..  trans-94.1108.5170.3-56.6174000107.4F244 H246 P249 T263 P353F244-I351 WeakPolarHBondContact CZ-O 3.45Å; H246-I351 PolarHBondContact NE2-N 2.91Å; P249-I351 HydrophobicContact CB-CD1 3.96Å; P249-I351 HydrophobicContact CG-CD1 3.84Å; T263-I351 HydrophobicContact CG2-CB 4.12Å; T263-I351 HydrophobicContact CG2-CG2 3.58Å; I351-P353 WeakPolarHBondContact O-CD 3.39Å
352L91.4Very high90.2Very high32 Ų3240.8 Ų40.817%0.16822%0.222CC..  trans-95.7111.5-179-59-172.6000111F244 L343 K347 L350 A359 L360F244-L352 HydrophobicContact CE1-CD2 3.75Å; F244-L352 HydrophobicContact CZ-CD2 3.84Å; L343-L352 HydrophobicContact CD1-CD1 4.37Å; L343-L352 HydrophobicContact CD1-CD2 3.75Å; K347-L352 HydrophobicContact CD-CD1 3.91Å; L350-L352 HydrophobicContact CB-CD2 4.13Å; L352-A359 HydrophobicContact CD1-CB 4.38Å; L352-A359 HydrophobicContact CD2-CB 4.3Å; L352-L360 HydrophobicContact CB-CD2 4.09Å; L352-L360 HydrophobicContact CB-CG 4.38Å; L352-L360 HydrophobicContact CD1-CD2 4.11Å
353P93.1Very high90.3Very high9 Ų943.9 Ų43.96%0.05823%0.233CC..  trans-66.7134.7175.7-16.530.3000110.7F244 Y265 I351 E355 V356F244-P353 HydrophobicContact CE2-CG 4.34Å; Y265-P353 HydrophobicContact CD1-CB 3.9Å; Y265-P353 HydrophobicContact CD1-CG 3.43Å; Y265-P353 VanDerWaalsContact CD1-CG 3.43Å; Y265-P353 HydrophobicContact CD2-CB 4.45Å; Y265-P353 HydrophobicContact CD2-CG 3.85Å; Y265-P353 HydrophobicContact CE1-CB 3.69Å; Y265-P353 HydrophobicContact CE1-CG 3.78Å; Y265-P353 HydrophobicContact CE2-CB 4.28Å; Y265-P353 HydrophobicContact CE2-CG 4.18Å; Y265-P353 HydrophobicContact CG-CB 4.28Å; Y265-P353 HydrophobicContact CG-CG 3.47Å; Y265-P353 VanDerWaalsContact CG-CG 3.47Å; I351-P353 WeakPolarHBondContact O-CD 3.39Å; P353-E355 WeakPolarHBondContact CB-OE2 3.33Å; P353-E355 PolarHBondContact O-N 2.97Å; P353-V356 HydrophobicContact CB-CG2 4.25Å; P353-V356 HydrophobicContact CG-CG2 4.22Å; P353-V356 PolarHBondContact O-N 3.19Å
354P93.3Very high90.4Very high14 Ų1443.2 Ų43.29%0.09123%0.232CC..THydrogen-bonded Turntrans-54.6-22.5177.1-29.237.6000114.9W357 H461 E463 R556P354-W357 VanDerWaalsContact O-CD1 3.31Å; P354-H461 HydrophobicContact CB-CB 4.49Å; P354-H461 HydrophobicContact CG-CB 3.53Å; P354-E463 HydrophobicContact CB-CG 3.91Å; P354-E463 WeakPolarHBondContact O-CB 3.21Å; P354-R556 HydrophobicContact CB-CG 4.39Å; P354-R556 HydrophobicContact CG-CG 4.39Å
355E93.6Very high90.7Very high10 Ų1042.2 Ų42.25%0.04723%0.225CC..THydrogen-bonded Turntrans-71.9-28.3179.6-67.369.5-156.700114.1Y265 L278 K285 K287 P353 W357 R556Y265-E355 WeakPolarHBondContact OH-CB 2.99Å; Y265-E355 WeakPolarHBondContact OH-CG 3.24Å; L278-E355 HydrophobicContact CD2-CB 4.06Å; L278-E355 WeakPolarHBondContact CD2-O 3.24Å; K285-E355 HydrophobicContact CB-CG 4.26Å; K285-E355 HydrophobicContact CD-CB 4.49Å; K285-E355 HydrophobicContact CD-CG 3.17Å; K285-E355 WeakPolarHBondContact CD-OE1 3.25Å; K285-E355 HydrophobicContact CG-CG 4.36Å; K285-E355 IonicContact NZ-OE1 3.48Å; K285-E355 PolarHBondContact NZ-OE1 2.83Å; K287-E355 PolarHBondContact NZ-O 2.89Å; P353-E355 WeakPolarHBondContact CB-OE2 3.33Å; P353-E355 PolarHBondContact O-N 2.97Å; E355-W357 VanDerWaalsContact O-CD1 3.23Å; E355-W357 PolarHBondContact O-N 3.13Å; E355-R556 IonicContact OE1-CZ 3.4Å; E355-R556 IonicContact OE1-NH2 3.48Å; E355-R556 PolarHBondContact OE1-NH2 2.64Å; E355-R556 IonicContact OE2-NH2 2.65Å
356V96Very high91.5Very high0 Ų034 Ų340%019%0.187CC..  trans-86.783179.2-172.60000107.5L241 F244 Y265 A267 L278 P353 T358 A359L241-V356 HydrophobicContact CD1-CG1 3.79Å; F244-V356 HydrophobicContact CD2-CG1 4.41Å; F244-V356 HydrophobicContact CD2-CG2 4.48Å; F244-V356 HydrophobicContact CE2-CG2 4.25Å; Y265-V356 HydrophobicContact CD2-CG2 4.08Å; Y265-V356 HydrophobicContact CE2-CG2 3.85Å; A267-V356 HydrophobicContact CB-CG1 3.99Å; A267-V356 HydrophobicContact CB-CG2 3.84Å; L278-V356 HydrophobicContact CD2-CG2 4.18Å; P353-V356 HydrophobicContact CB-CG2 4.25Å; P353-V356 HydrophobicContact CG-CG2 4.22Å; P353-V356 PolarHBondContact O-N 3.19Å; V356-T358 VanDerWaalsContact C-N 3.34Å; V356-T358 PolarHBondContact O-N 3.22Å; V356-A359 HydrophobicContact CB-CB 4.32Å; V356-A359 HydrophobicContact CG1-CB 3.82Å; V356-A359 PolarHBondContact O-N 3.25Å
357W97.3Very high92.4Very high47 Ų4730 Ų3018%0.17816%0.159CC..Hα-helixtrans-63.7-41.7-168.3-62.7-12.3000111.9E269 L271 P354 E355 A359 L360 L361 A464 R533E269-W357 PolarHBondContact OE2-N 3.34Å; L271-W357 HydrophobicContact CD1-CD2 4.28Å; L271-W357 HydrophobicContact CD1-CE3 3.51Å; L271-W357 HydrophobicContact CD1-CZ3 4.08Å; L271-W357 HydrophobicContact CD2-CE3 4.46Å; P354-W357 VanDerWaalsContact O-CD1 3.31Å; E355-W357 VanDerWaalsContact O-CD1 3.23Å; E355-W357 PolarHBondContact O-N 3.13Å; W357-A359 VanDerWaalsContact C-N 3.25Å; W357-A359 PolarHBondContact O-N 2.97Å; W357-L360 PolarHBondContact O-N 2.9Å; W357-L361 HydrophobicContact CB-CD1 4.22Å; W357-L361 WeakPolarHBondContact O-CB 3.26Å; W357-L361 VanDerWaalsContact O-CG 3.26Å; W357-L361 WeakPolarHBondContact O-CG 3.32Å; W357-L361 PolarHBondContact O-N 2.97Å; W357-A464 HydrophobicContact CB-CB 3.85Å; W357-A464 HydrophobicContact CD2-CB 3.91Å; W357-A464 HydrophobicContact CE3-CB 4.46Å; W357-A464 HydrophobicContact CG-CB 3.62Å; W357-R533 HydrophobicContact CH2-CB 4.19Å; W357-R533 HydrophobicContact CZ3-CB 3.94Å; W357-R533 HydrophobicContact CZ3-CG 4.45Å
358T97.7Very high93.3Very high0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-58.6-36.4-179.250.50000112.7L241 E269 L270 L271 V356 L360 N362 Y363L241-T358 WeakPolarHBondContact CD1-OG1 3.3Å; E269-T358 HydrophobicContact CB-CG2 3.85Å; E269-T358 WeakPolarHBondContact CB-OG1 3.39Å; E269-T358 HydrophobicContact CG-CG2 4.35Å; E269-T358 WeakPolarHBondContact OE2-CB 3.03Å; E269-T358 WeakPolarHBondContact OE2-CG2 3.35Å; E269-T358 PolarHBondContact OE2-N 3.49Å; E269-T358 PolarHBondContact OE2-OG1 3.16Å; L270-T358 WeakPolarHBondContact O-CG2 3.34Å; L271-T358 HydrophobicContact CD2-CG2 3.66Å; L271-T358 HydrophobicContact CG-CG2 4.23Å; V356-T358 VanDerWaalsContact C-N 3.34Å; V356-T358 PolarHBondContact O-N 3.22Å; T358-L360 PolarHBondContact O-N 3.06Å; T358-N362 PolarHBondContact O-N 3.11Å; T358-N362 VanDerWaalsContact O-N 3.13Å; T358-Y363 PolarHBondContact O-N 3.07Å
359A95.3Very high94.5Very high3 Ų322.6 Ų22.63%0.02512%0.115CC..Hα-helixtrans-65.9-38.6179.300000113.4L241 L343 K347 L352 V356 W357L241-A359 HydrophobicContact CD2-CB 4.23Å; L343-A359 HydrophobicContact CD1-CB 3.78Å; K347-A359 PolarHBondContact NZ-O 3.26Å; K347-A359 VanDerWaalsContact NZ-O 3.14Å; L352-A359 HydrophobicContact CD1-CB 4.38Å; L352-A359 HydrophobicContact CD2-CB 4.3Å; V356-A359 HydrophobicContact CB-CB 4.32Å; V356-A359 HydrophobicContact CG1-CB 3.82Å; V356-A359 PolarHBondContact O-N 3.25Å; W357-A359 VanDerWaalsContact C-N 3.25Å; W357-A359 PolarHBondContact O-N 2.97Å
360L94.2Very high95.2Very high19 Ų1918.3 Ų18.310%0.0999%0.088CC..Hα-helixtrans-87.1-22.1-179.4-72.2167.8000113.3L352 W357 T358 N362 M460 H461 T462 N590L352-L360 HydrophobicContact CB-CD2 4.09Å; L352-L360 HydrophobicContact CB-CG 4.38Å; L352-L360 HydrophobicContact CD1-CD2 4.11Å; W357-L360 PolarHBondContact O-N 2.9Å; T358-L360 PolarHBondContact O-N 3.06Å; L360-N362 VanDerWaalsContact C-N 3.31Å; L360-M460 HydrophobicContact CD2-CE 4.23Å; L360-H461 WeakPolarHBondContact CD1-O 3.02Å; L360-T462 HydrophobicContact CD1-CG2 4.25Å; L360-N590 WeakPolarHBondContact O-CB 3.35Å; L360-N590 PolarHBondContact O-ND2 2.89Å
361L96.4Very high95.3Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-82.9-7.4171.3-68.2170.5000113W357 Y363 A464 D466 S591W357-L361 HydrophobicContact CB-CD1 4.22Å; W357-L361 WeakPolarHBondContact O-CB 3.26Å; W357-L361 VanDerWaalsContact O-CG 3.26Å; W357-L361 WeakPolarHBondContact O-CG 3.32Å; W357-L361 PolarHBondContact O-N 2.97Å; L361-Y363 HydrophobicContact CB-CD1 4.47Å; L361-Y363 HydrophobicContact CB-CD2 3.8Å; L361-Y363 HydrophobicContact CB-CE2 3.9Å; L361-Y363 HydrophobicContact CB-CG 4.1Å; L361-Y363 HydrophobicContact CD1-CD2 3.99Å; L361-Y363 HydrophobicContact CD1-CE2 3.79Å; L361-Y363 HydrophobicContact CG-CE2 4.41Å; L361-A464 HydrophobicContact CD1-CB 4.08Å; L361-A464 HydrophobicContact CG-CB 4.4Å; L361-D466 HydrophobicContact CD2-CB 4.22Å; L361-S591 PolarHBondContact O-OG 2.79Å
362N95.6Very high95.5Very high64 Ų6416.4 Ų16.434%0.3428%0.079SC..THydrogen-bonded Turntrans61.539.7-173.2-58-54.3000113.4K347 T358 L360 N590K347-N362 PolarHBondContact NZ-OD1 2.68Å; T358-N362 PolarHBondContact O-N 3.11Å; T358-N362 VanDerWaalsContact O-N 3.13Å; L360-N362 VanDerWaalsContact C-N 3.31Å; N362-N590 PolarHBondContact ND2-O 3.35Å
363Y97.1Very high95.6Very high67 Ų6715 Ų1526%0.2637%0.071SC..  trans-97.386.9173.4-65-21.7000110.4G240 L241 T358 L361 D466G240-Y363 CarbonylContact C-O 3.55Å; G240-Y363 WeakPolarHBondContact CA-O 3.3Å; L241-Y363 PolarHBondContact N-O 2.95Å; T358-Y363 PolarHBondContact O-N 3.07Å; L361-Y363 HydrophobicContact CB-CD1 4.47Å; L361-Y363 HydrophobicContact CB-CD2 3.8Å; L361-Y363 HydrophobicContact CB-CE2 3.9Å; L361-Y363 HydrophobicContact CB-CG 4.1Å; L361-Y363 HydrophobicContact CD1-CD2 3.99Å; L361-Y363 HydrophobicContact CD1-CE2 3.79Å; L361-Y363 HydrophobicContact CG-CE2 4.41Å; Y363-D466 PolarHBondContact OH-OD2 2.92Å
364G97.5Very high95.7Very high8 Ų814.8 Ų14.88%0.0827%0.07CC..BIsolated β-bridgetrans-76.6156.7164.600000112.1P212 G341P212-G364 VanDerWaalsContact O-CA 3.25Å; P212-G364 WeakPolarHBondContact O-CA 3.42Å; G341-G364 CarbonylContact O-C 3.54Å
365Y98.5Very high95.6Very high2 Ų215.6 Ų15.61%0.0087%0.073CC..  trans-75.4131179.2174-97.4000112F209 F233 R234 T235 L241 L242 L270 G341 G367 C368 V369F209-Y365 HydrophobicContact CB-CD1 4.39Å; F209-Y365 WeakPolarHBondContact CB-O 3.19Å; F209-Y365 AromaticContact CD2-CD1 3.97Å; F209-Y365 HydrophobicContact CD2-CD1 3.97Å; F209-Y365 HydrophobicContact CD2-CE1 4.13Å; F209-Y365 HydrophobicContact CG-CD1 4.34Å; F233-Y365 HydrophobicContact CD2-CE2 4.19Å; R234-Y365 PolarHBondContact N-OH 2.86Å; R234-Y365 PolarHBondContact O-OH 2.88Å; T235-Y365 HydrophobicContact CG2-CE2 3.7Å; L241-Y365 VanDerWaalsContact O-CB 3.22Å; L241-Y365 WeakPolarHBondContact O-CB 3.17Å; L242-Y365 HydrophobicContact CD2-CD1 3.97Å; L242-Y365 HydrophobicContact CD2-CD2 3.38Å; L242-Y365 HydrophobicContact CD2-CE1 4.09Å; L242-Y365 HydrophobicContact CD2-CE2 3.51Å; L242-Y365 HydrophobicContact CD2-CG 3.62Å; L242-Y365 HydrophobicContact CG-CD2 4.01Å; L242-Y365 HydrophobicContact CG-CE2 4.42Å; L242-Y365 HydrophobicContact CG-CG 4.37Å; L270-Y365 HydrophobicContact CD1-CD2 4.01Å; L270-Y365 HydrophobicContact CD1-CE2 3.9Å; G341-Y365 WeakPolarHBondContact O-CA 3.35Å; G341-Y365 WeakPolarHBondContact O-CB 3.5Å; G341-Y365 PolarHBondContact O-N 2.99Å; Y365-G367 VanDerWaalsContact CE1-C 3.46Å; Y365-C368 PolarHBondContact OH-N 2.77Å; Y365-C368 PolarHBondContact OH-O 2.03Å; Y365-V369 HydrophobicContact CD1-CG2 4.41Å; Y365-V369 HydrophobicContact CE1-CG2 3.75Å
366V98.5Very high95.3Very high0 Ų015.1 Ų15.10%07%0.071CC..  trans-119.4126169.7-176.90000107.6F209 P212 T235 E237 W420F209-V366 WeakPolarHBondContact O-CA 3.4Å; F209-V366 WeakPolarHBondContact O-CG1 3.49Å; P212-V366 HydrophobicContact CB-CG2 4.46Å; P212-V366 HydrophobicContact CG-CG2 3.94Å; T235-V366 WeakPolarHBondContact CB-O 3.47Å; T235-V366 PolarHBondContact OG1-O 2.82Å; E237-V366 HydrophobicContact CG-CB 4.38Å; V366-W420 HydrophobicContact CG1-CB 4.11Å
367G98Very high95Very high0 Ų019 Ų190%09%0.088CC..EExtended strand (participates in β ladder)trans149.8-175.1-169.600000112.5T208 F209 R234 Y365T208-G367 CarbonylContact C-O 3.55Å; T208-G367 WeakPolarHBondContact CA-O 3.45Å; F209-G367 PolarHBondContact N-O 3.38Å; F209-G367 PolarHBondContact O-N 2.82Å; R234-G367 CarbonylContact O-C 3.56Å; R234-G367 WeakPolarHBondContact O-CA 3.43Å; Y365-G367 VanDerWaalsContact CE1-C 3.46Å
368C98Very high94.7Very high0 Ų017.1 Ų17.10%08%0.082CC..EExtended strand (participates in β ladder)trans-98.9146.9-179.6-510000113.1V207 T208 F233 R234 W300 Y365 C397 W420V207-C368 CarbonylContact O-C 3.53Å; V207-C368 WeakPolarHBondContact O-CA 3.16Å; T208-C368 PolarHBondContact OG1-SG 2.04Å; T208-C368 VanDerWaalsContact OG1-SG 3.34Å; F233-C368 CarbonylContact C-O 3.49Å; F233-C368 WeakPolarHBondContact CA-O 3.39Å; R234-C368 HydrophobicContact CB-CB 4.24Å; R234-C368 PolarHBondContact N-O 2.88Å; R234-C368 PolarHBondContact O-N 2.85Å; W300-C368 HydrophobicContact CH2-CB 3.52Å; W300-C368 HydrophobicContact CZ2-CB 4.18Å; W300-C368 HydrophobicContact CZ3-CB 4.03Å; Y365-C368 PolarHBondContact OH-N 2.77Å; Y365-C368 PolarHBondContact OH-O 2.03Å; C368-C397 HydrophobicContact CB-CB 3.62Å; C368-C397 WeakPolarHBondContact CB-SG 3.34Å; C368-C397 WeakPolarHBondContact SG-CB 3.36Å; C368-C397 CovalentContact SG-SG 2.02Å; C368-C397 PolarHBondContact SG-SG 3Å; C368-W420 WeakPolarHBondContact SG-CZ2 3.14Å
369V97.5Very high94.5Very high0 Ų020.4 Ų20.40%09%0.094CC..EExtended strand (participates in β ladder)trans-133143.5170.3-179.20000110P206 V207 F209 F231 D232 F233 L340 Y365P206-V369 WeakPolarHBondContact CA-O 3.39Å; V207-V369 HydrophobicContact CG2-CB 4.43Å; V207-V369 PolarHBondContact N-O 3.06Å; V207-V369 PolarHBondContact O-N 3.04Å; F209-V369 HydrophobicContact CD2-CG2 4.28Å; F209-V369 HydrophobicContact CE2-CB 4.24Å; F209-V369 HydrophobicContact CE2-CG2 3.89Å; F231-V369 HydrophobicContact CD2-CG1 4.25Å; D232-V369 WeakPolarHBondContact O-CA 3.21Å; F233-V369 HydrophobicContact CB-CG2 4.39Å; L340-V369 HydrophobicContact CD1-CG1 4.25Å; L340-V369 HydrophobicContact CD1-CG2 4.38Å; L340-V369 HydrophobicContact CD2-CG1 4.12Å; Y365-V369 HydrophobicContact CD1-CG2 4.41Å; Y365-V369 HydrophobicContact CE1-CG2 3.75Å
370R92.8Very high94.3Very high49 Ų4923.1 Ų23.119%0.18511%0.108CC..EExtended strand (participates in β ladder)trans-154.2177.7171.970.9177.4-175.8-178.62.2112.1P206 D232 W300 L372P206-R370 HydrophobicContact CB-CB 3.82Å; D232-R370 HydrophobicContact CB-CG 3.66Å; D232-R370 PolarHBondContact N-O 3.05Å; D232-R370 PolarHBondContact O-N 3.35Å; D232-R370 IonicContact OD2-CZ 3.99Å; D232-R370 IonicContact OD2-NE 3.76Å; D232-R370 PolarHBondContact OD2-NE 3.05Å; D232-R370 VanDerWaalsContact OD2-NE 3.09Å; D232-R370 IonicContact OD2-NH2 3.61Å; D232-R370 PolarHBondContact OD2-NH2 3.42Å; W300-R370 HydrophobicContact CE3-CG 4.33Å; W300-R370 HydrophobicContact CH2-CB 4.19Å; W300-R370 HydrophobicContact CH2-CG 3.73Å; W300-R370 HydrophobicContact CZ2-CG 4.41Å; W300-R370 HydrophobicContact CZ3-CB 4.43Å; W300-R370 HydrophobicContact CZ3-CG 3.69Å; R370-L372 PolarHBondContact O-N 2.78Å
371D90.3Very high94.2Very high20 Ų2022.5 Ų22.511%0.10711%0.105CC..EExtended strand (participates in β ladder)trans5045.9172.8-63.4-45.8000111.7Q41 F231 F373Q41-D371 PolarHBondContact NE2-OD1 2.84Å; F231-D371 WeakPolarHBondContact CA-O 3.22Å; D371-F373 HydrophobicContact CB-CE2 4.49Å; D371-F373 VanDerWaalsContact O-CD2 3.27Å; D371-F373 WeakPolarHBondContact O-CD2 3.41Å
372L94.4Very high94Very high0 Ų026 Ų260%012%0.119CC..EExtended strand (participates in β ladder)trans-78.2124.7179.717766.1000110.5L218 I229 S230 F231 L340 R370 R379 V381L218-L372 HydrophobicContact CD1-CD2 3.64Å; L218-L372 HydrophobicContact CD2-CD2 3.94Å; L218-L372 HydrophobicContact CG-CD2 4.47Å; I229-L372 HydrophobicContact CG2-CD1 4.2Å; S230-L372 CarbonylContact O-C 3.51Å; S230-L372 WeakPolarHBondContact O-CA 3.39Å; F231-L372 HydrophobicContact CB-CB 4.42Å; F231-L372 HydrophobicContact CB-CD1 3.92Å; F231-L372 HydrophobicContact CD1-CD1 4.4Å; F231-L372 HydrophobicContact CG-CD1 4.44Å; L340-L372 HydrophobicContact CD2-CD2 4.45Å; R370-L372 PolarHBondContact O-N 2.78Å; L372-R379 HydrophobicContact CB-CB 4.31Å; L372-R379 HydrophobicContact CD2-CB 4.01Å; L372-R379 HydrophobicContact CD2-CG 4.45Å; L372-R379 HydrophobicContact CG-CB 4.11Å; L372-R379 HydrophobicContact CG-CG 4.46Å; L372-R379 PolarHBondContact O-N 3.05Å; L372-V381 HydrophobicContact CB-CG2 3.66Å; L372-V381 HydrophobicContact CD2-CG2 3.86Å; L372-V381 HydrophobicContact CG-CG2 4.43Å
373F93.3Very high93.9Very high2 Ų230.5 Ų30.51%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-124.5139.8172.5-69.6-107.7000110.4N157 M160 I229 S230 D371 G376 K377N157-F373 HydrophobicContact CB-CD1 4.12Å; N157-F373 HydrophobicContact CB-CE1 4.11Å; N157-F373 HydrophobicContact CB-CG 4.45Å; N157-F373 HydrophobicContact CB-CZ 4.45Å; N157-F373 WeakPolarHBondContact ND2-CD2 3.14Å; N157-F373 WeakPolarHBondContact ND2-CE2 3.23Å; N157-F373 WeakPolarHBondContact ND2-CG 3.1Å; M160-F373 HydrophobicContact CG-CZ 4.27Å; M160-F373 HydrophobicContact SD-CE1 4.3Å; M160-F373 HydrophobicContact SD-CZ 3.66Å; I229-F373 WeakPolarHBondContact CA-O 3.32Å; S230-F373 PolarHBondContact N-O 3.27Å; S230-F373 PolarHBondContact O-N 3.1Å; D371-F373 HydrophobicContact CB-CE2 4.49Å; D371-F373 VanDerWaalsContact O-CD2 3.27Å; D371-F373 WeakPolarHBondContact O-CD2 3.41Å; F373-G376 WeakPolarHBondContact CD1-O 3.49Å; F373-K377 VanDerWaalsContact CA-O 3.27Å; F373-K377 WeakPolarHBondContact CA-O 3.26Å
374I93.6Very high93.7Very high6 Ų629 Ų293%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-129.3121.8174.3-57.3163.1000107.3W221 M338 G376 K377 R379W221-I374 HydrophobicContact CD2-CG2 4.47Å; W221-I374 HydrophobicContact CG-CG2 3.9Å; M338-I374 HydrophobicContact CE-CD1 3.2Å; M338-I374 HydrophobicContact CE-CG1 3.9Å; I374-G376 PolarHBondContact O-N 2.84Å; I374-K377 PolarHBondContact N-O 2.76Å; I374-K377 WeakPolarHBondContact O-CB 3.45Å; I374-K377 PolarHBondContact O-N 3.03Å; I374-R379 HydrophobicContact CD1-CG 3.92Å; I374-R379 HydrophobicContact CG1-CG 4.31Å
375D91.5Very high93.6Very high30 Ų3029.1 Ų29.116%0.1613%0.127CC..THydrogen-bonded Turntrans49.943.4-174.2-55.4-30.9000111.9W221 G227 S228 K377W221-D375 VanDerWaalsContact CD1-OD2 3.28Å; W221-D375 VanDerWaalsContact NE1-CG 3.29Å; W221-D375 PolarHBondContact NE1-OD1 2.78Å; W221-D375 PolarHBondContact NE1-OD2 3.08Å; G227-D375 VanDerWaalsContact CA-OD1 3.27Å; G227-D375 WeakPolarHBondContact CA-OD1 3.35Å; S228-D375 PolarHBondContact N-OD1 2.92Å; S228-D375 PolarHBondContact O-N 3.36Å; S228-D375 WeakPolarHBondContact OG-CA 3.45Å; D375-K377 PolarHBondContact O-N 2.98Å; D375-K377 VanDerWaalsContact O-N 3.16Å
376G87.3Confident93.4Very high0 Ų034.3 Ų34.30%015%0.151CC..THydrogen-bonded Turntrans72.2-3.8-177.700000116.8S156 N158 F373 I374S156-G376 WeakPolarHBondContact O-CA 3.41Å; S156-G376 PolarHBondContact O-N 3.09Å; N158-G376 WeakPolarHBondContact CB-O 3.23Å; N158-G376 PolarHBondContact N-O 2.82Å; N158-G376 PolarHBondContact ND2-O 2.83Å; F373-G376 WeakPolarHBondContact CD1-O 3.49Å; I374-G376 PolarHBondContact O-N 2.84Å
377K90.6Very high93.2Very high83 Ų8339.9 Ų39.936%0.36118%0.18SC..EExtended strand (participates in β ladder)trans-89.3129.6177.5-69.5177.6-174.3173.50111.6N14 F373 I374 D375N14-K377 VanDerWaalsContact OD1-CB 3.29Å; N14-K377 WeakPolarHBondContact OD1-CB 3.45Å; F373-K377 VanDerWaalsContact CA-O 3.27Å; F373-K377 WeakPolarHBondContact CA-O 3.26Å; I374-K377 PolarHBondContact N-O 2.76Å; I374-K377 WeakPolarHBondContact O-CB 3.45Å; I374-K377 PolarHBondContact O-N 3.03Å; D375-K377 PolarHBondContact O-N 2.98Å; D375-K377 VanDerWaalsContact O-N 3.16Å
378S91.3Very high93.1Very high6 Ų643.4 Ų43.44%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-70.3139.6179.3-170.10000112.3G13 N14 M160 L204G13-S378 PolarHBondContact O-N 2.87Å; N14-S378 PolarHBondContact ND2-O 2.81Å; N14-S378 PolarHBondContact OD1-N 3.25Å; M160-S378 PolarHBondContact SD-OG 3.39Å; L204-S378 WeakPolarHBondContact CD1-OG 3.48Å
379R92.6Very high92.9Very high69 Ų6947.9 Ų47.926%0.2623%0.228SC..EExtended strand (participates in β ladder)trans-122.2117.9177.9-60.8-61.3177.5-1413.8110.7L372 I374 V381L372-R379 HydrophobicContact CB-CB 4.31Å; L372-R379 HydrophobicContact CD2-CB 4.01Å; L372-R379 HydrophobicContact CD2-CG 4.45Å; L372-R379 HydrophobicContact CG-CB 4.11Å; L372-R379 HydrophobicContact CG-CG 4.46Å; L372-R379 PolarHBondContact O-N 3.05Å; I374-R379 HydrophobicContact CD1-CG 3.92Å; I374-R379 HydrophobicContact CG1-CG 4.31Å; R379-V381 PolarHBondContact O-N 3.31Å
380D90.8Very high92.7Very high61 Ų6148.9 Ų48.933%0.32624%0.236SC..  trans-77.989.5174.6-173-16.9000110.2L204 R382 R383 L384L204-D380 HydrophobicContact CD2-CB 4.18Å; D380-R382 VanDerWaalsContact C-N 3.28Å; D380-R382 PolarHBondContact O-N 2.67Å; D380-R382 PolarHBondContact OD1-N 3.42Å; D380-R383 HydrophobicContact CB-CB 4Å; D380-R383 PolarHBondContact O-N 2.84Å; D380-R383 WeakPolarHBondContact OD1-CB 3.33Å; D380-R383 PolarHBondContact OD1-N 3.4Å; D380-R383 WeakPolarHBondContact OD2-CB 3.32Å; D380-L384 WeakPolarHBondContact O-CG 3.44Å; D380-L384 PolarHBondContact O-N 3.27Å
381V93.3Very high92.8Very high6 Ų653.9 Ų53.94%0.03627%0.266CS..Hα-helixtrans-63.2-35.7-176.6-171.20000111.5V207 I216 L340 L372 R379 L384 A385V207-V381 HydrophobicContact CG1-CB 4.49Å; V207-V381 HydrophobicContact CG1-CG1 4.28Å; V207-V381 HydrophobicContact CG2-CB 4.36Å; V207-V381 HydrophobicContact CG2-CG1 3.63Å; I216-V381 HydrophobicContact CD1-CG1 3.39Å; L340-V381 HydrophobicContact CD2-CG1 3.7Å; L340-V381 HydrophobicContact CD2-CG2 4.47Å; L372-V381 HydrophobicContact CB-CG2 3.66Å; L372-V381 HydrophobicContact CD2-CG2 3.86Å; L372-V381 HydrophobicContact CG-CG2 4.43Å; R379-V381 PolarHBondContact O-N 3.31Å; V381-L384 PolarHBondContact O-N 2.72Å; V381-A385 PolarHBondContact O-N 2.79Å
382R92.4Very high93Very high74 Ų7454.3 Ų54.328%0.27928%0.275SS..Hα-helixtrans-64.1-49.8177.3174.5179168.8171.9-12.8111D205 V207 D380 L384 A385 E386D205-R382 IonicContact OD2-CZ 2.88Å; D205-R382 IonicContact OD2-NH1 3.39Å; D205-R382 PolarHBondContact OD2-NH1 2.99Å; V207-R382 HydrophobicContact CG1-CB 3.89Å; D380-R382 VanDerWaalsContact C-N 3.28Å; D380-R382 PolarHBondContact O-N 2.67Å; D380-R382 PolarHBondContact OD1-N 3.42Å; R382-L384 VanDerWaalsContact C-N 3.27Å; R382-L384 PolarHBondContact O-N 2.83Å; R382-A385 WeakPolarHBondContact O-CB 3.1Å; R382-A385 PolarHBondContact O-N 2.85Å; R382-A385 VanDerWaalsContact O-N 3.15Å; R382-E386 IonicContact CZ-OE1 2.7Å; R382-E386 IonicContact NE-OE1 2.8Å; R382-E386 PolarHBondContact NE-OE1 3.05Å; R382-E386 IonicContact NH2-OE1 3.6Å; R382-E386 WeakPolarHBondContact O-CG 3.43Å; R382-E386 PolarHBondContact O-N 2.68Å
383R92.1Very high93.1Very high157 Ų15755.5 Ų55.559%0.59228%0.282SS*.Hα-helixtrans-61.3-37.5177.4-177.9174.1180169.70.7112D380 E386 I387D380-R383 HydrophobicContact CB-CB 4Å; D380-R383 PolarHBondContact O-N 2.84Å; D380-R383 WeakPolarHBondContact OD1-CB 3.33Å; D380-R383 PolarHBondContact OD1-N 3.4Å; D380-R383 WeakPolarHBondContact OD2-CB 3.32Å; R383-E386 PolarHBondContact O-N 3.07Å; R383-I387 HydrophobicContact CG-CD1 3.84Å; R383-I387 HydrophobicContact CG-CG1 4.43Å; R383-I387 WeakPolarHBondContact O-CB 3.46Å; R383-I387 VanDerWaalsContact O-CG1 3.26Å; R383-I387 WeakPolarHBondContact O-CG1 3.13Å; R383-I387 PolarHBondContact O-N 3.17Å
384L94Very high93.2Very high37 Ų3756.2 Ų56.219%0.19429%0.288CS..Hα-helixtrans-62.8-44174.6-71.9171.1000111.7I216 L218 D380 V381 R382 I387 Q388I216-L384 HydrophobicContact CG2-CB 3.99Å; L218-L384 HydrophobicContact CD2-CD1 3.76Å; D380-L384 WeakPolarHBondContact O-CG 3.44Å; D380-L384 PolarHBondContact O-N 3.27Å; V381-L384 PolarHBondContact O-N 2.72Å; R382-L384 VanDerWaalsContact C-N 3.27Å; R382-L384 PolarHBondContact O-N 2.83Å; L384-I387 PolarHBondContact O-N 3.25Å; L384-Q388 WeakPolarHBondContact O-CB 3.41Å; L384-Q388 VanDerWaalsContact O-CG 3.27Å; L384-Q388 WeakPolarHBondContact O-CG 3.31Å; L384-Q388 PolarHBondContact O-N 3.32Å
385A94.6Very high93.1Very high10 Ų1058.3 Ų58.38%0.08330%0.302CS..Hα-helixtrans-61.3-43.1175.400000112.3I216 V381 R382 Q388 S389 A390 V393I216-A385 HydrophobicContact CD1-CB 3.83Å; I216-A385 HydrophobicContact CG1-CB 4.26Å; V381-A385 PolarHBondContact O-N 2.79Å; R382-A385 WeakPolarHBondContact O-CB 3.1Å; R382-A385 PolarHBondContact O-N 2.85Å; R382-A385 VanDerWaalsContact O-N 3.15Å; A385-Q388 PolarHBondContact O-N 2.67Å; A385-S389 PolarHBondContact O-N 3.13Å; A385-A390 HydrophobicContact CB-CB 4.17Å; A385-A390 PolarHBondContact O-N 3.27Å; A385-V393 HydrophobicContact CB-CB 4.47Å; A385-V393 HydrophobicContact CB-CG1 3.9Å
386E93.8Very high92.9Very high110 Ų11062.3 Ų62.351%0.51432%0.319SS..Hα-helixtrans-63.4-46.1177.7-71.7172.8-173.100111.7R382 R383 Q388 S389R382-E386 IonicContact CZ-OE1 2.7Å; R382-E386 IonicContact NE-OE1 2.8Å; R382-E386 PolarHBondContact NE-OE1 3.05Å; R382-E386 IonicContact NH2-OE1 3.6Å; R382-E386 WeakPolarHBondContact O-CG 3.43Å; R382-E386 PolarHBondContact O-N 2.68Å; R383-E386 PolarHBondContact O-N 3.07Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.42Å; E386-S389 PolarHBondContact O-N 2.9Å
387I95.1Very high93.2Very high118 Ų11863.4 Ų63.461%0.60533%0.326SS*.Hα-helixtrans-63.9-39.2178.5-70.1168000111.4R383 L384 S389R383-I387 HydrophobicContact CG-CD1 3.84Å; R383-I387 HydrophobicContact CG-CG1 4.43Å; R383-I387 WeakPolarHBondContact O-CB 3.46Å; R383-I387 VanDerWaalsContact O-CG1 3.26Å; R383-I387 WeakPolarHBondContact O-CG1 3.13Å; R383-I387 PolarHBondContact O-N 3.17Å; L384-I387 PolarHBondContact O-N 3.25Å; I387-S389 VanDerWaalsContact C-N 3.28Å
388Q94.9Very high93.3Very high73 Ų7362.9 Ų62.934%0.34133%0.33SS..Hα-helixtrans-81.4-9.2-179.3-68.1172.84400113S217 L384 A385 E386 A390S217-Q388 PolarHBondContact O-NE2 2.86Å; L384-Q388 WeakPolarHBondContact O-CB 3.41Å; L384-Q388 VanDerWaalsContact O-CG 3.27Å; L384-Q388 WeakPolarHBondContact O-CG 3.31Å; L384-Q388 PolarHBondContact O-N 3.32Å; A385-Q388 PolarHBondContact O-N 2.67Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.42Å; Q388-A390 PolarHBondContact O-N 3.3Å
389S94.8Very high93.3Very high95 Ų9567.1 Ų67.166%0.66435%0.345SS*.THydrogen-bonded Turntrans50.645.8-169.6-580000111.5A385 E386 I387 L391A385-S389 PolarHBondContact O-N 3.13Å; E386-S389 PolarHBondContact O-N 2.9Å; I387-S389 VanDerWaalsContact C-N 3.28Å; S389-L391 PolarHBondContact O-N 3.14Å
390A93.3Very high93.1Very high21 Ų2167.8 Ų67.817%0.17435%0.351CS..  trans-61.2118.1-173.600000111.2I216 A385 Q388 V393I216-A390 HydrophobicContact CG1-CB 4.35Å; A385-A390 HydrophobicContact CB-CB 4.17Å; A385-A390 PolarHBondContact O-N 3.27Å; Q388-A390 PolarHBondContact O-N 3.3Å; A390-V393 HydrophobicContact CB-CB 4.13Å; A390-V393 HydrophobicContact CB-CG2 3.86Å
391L94.6Very high92.8Very high154 Ų15471.8 Ų71.881%0.80637%0.372SS*.THydrogen-bonded Turntrans-71.9138.9179.1-64173.8000110.5A214 S389 V393A214-L391 WeakPolarHBondContact CB-O 3.48Å; S389-L391 PolarHBondContact O-N 3.14Å; L391-V393 VanDerWaalsContact C-N 3.27Å; L391-V393 PolarHBondContact O-N 3.49Å
392G94.7Very high92.6Very high29 Ų2979.2 Ų79.230%0.29941%0.406SS..THydrogen-bonded Turntrans70.519.9179.900000114.4E210 A214E210-G392 WeakPolarHBondContact CB-O 3.43Å; E210-G392 PolarHBondContact N-O 2.85Å; A214-G392 WeakPolarHBondContact CB-O 3.28Å
393V96.9Very high92.5Very high25 Ų2582.6 Ų82.615%0.15242%0.423CS..EExtended strand (participates in β ladder)trans-117.7122.7173.6-176.60000110V207 T208 F209 A214 I216 A385 A390 L391V207-V393 HydrophobicContact CB-CG1 3.93Å; V207-V393 HydrophobicContact CG1-CG1 4.34Å; V207-V393 HydrophobicContact CG2-CG1 4.45Å; T208-V393 CarbonylContact O-C 3.59Å; T208-V393 VanDerWaalsContact O-CA 3.3Å; T208-V393 WeakPolarHBondContact O-CA 3.33Å; F209-V393 HydrophobicContact CD1-CG2 3.88Å; F209-V393 HydrophobicContact CE1-CG2 3.94Å; A214-V393 HydrophobicContact CB-CG2 4.12Å; I216-V393 HydrophobicContact CD1-CG1 4.2Å; I216-V393 HydrophobicContact CG1-CG2 4.33Å; A385-V393 HydrophobicContact CB-CB 4.47Å; A385-V393 HydrophobicContact CB-CG1 3.9Å; A390-V393 HydrophobicContact CB-CB 4.13Å; A390-V393 HydrophobicContact CB-CG2 3.86Å; L391-V393 VanDerWaalsContact C-N 3.27Å; L391-V393 PolarHBondContact O-N 3.49Å
394S94.9Very high92.4Very high17 Ų1779.3 Ų79.312%0.11941%0.41CS..EExtended strand (participates in β ladder)trans-107.6154.1174.652.10000112.8V207 T208 E210 F396V207-S394 CarbonylContact C-O 3.5Å; V207-S394 VanDerWaalsContact CA-O 3.23Å; V207-S394 WeakPolarHBondContact CA-O 3.47Å; T208-S394 PolarHBondContact N-O 2.81Å; T208-S394 PolarHBondContact O-N 2.84Å; E210-S394 WeakPolarHBondContact OE1-CB 3.34Å; E210-S394 PolarHBondContact OE1-OG 3.22Å; S394-F396 VanDerWaalsContact C-N 3.31Å; S394-F396 PolarHBondContact O-N 3.3Å
395S91.1Very high92.5Very high49 Ų4978.9 Ų78.934%0.34341%0.41SS..SBendtrans-89.516.1-168.956.90000115.2P206P206-S395 CarbonylContact O-C 3.57Å; P206-S395 VanDerWaalsContact O-C 3.28Å
396F88.8Confident92.4Very high114 Ų11483 Ų8350%0.544%0.439SS..  trans-143.4161.4177.559.7-87.7000110.2P206 T208 S394 T398P206-F396 PolarHBondContact O-N 3.04Å; T208-F396 WeakPolarHBondContact CB-O 3.34Å; T208-F396 PolarHBondContact OG1-O 2.94Å; S394-F396 VanDerWaalsContact C-N 3.31Å; S394-F396 PolarHBondContact O-N 3.3Å; F396-T398 HydrophobicContact CD2-CG2 4.13Å
397C93.3Very high92.3Very high24 Ų2482.2 Ų82.216%0.16245%0.445CS..  trans-126.3108.6174.11750000110.5P206 T208 W300 C368P206-C397 HydrophobicContact CB-CB 3.66Å; P206-C397 HydrophobicContact CG-CB 3.64Å; T208-C397 WeakPolarHBondContact OG1-CA 3.49Å; W300-C397 HydrophobicContact CH2-CB 4.37Å; W300-C397 HydrophobicContact CZ2-CB 4.07Å; W300-C397 VanDerWaalsContact CZ2-SG 3.59Å; C368-C397 HydrophobicContact CB-CB 3.62Å; C368-C397 WeakPolarHBondContact CB-SG 3.34Å; C368-C397 WeakPolarHBondContact SG-CB 3.36Å; C368-C397 CovalentContact SG-SG 2.02Å; C368-C397 PolarHBondContact SG-SG 3Å
398T91.6Very high92.2Very high72 Ų7280.3 Ų80.344%0.44245%0.447SS..  trans-126.1134.5173.249.30000109.4F396 N421F396-T398 HydrophobicContact CD2-CG2 4.13Å; T398-N421 PolarHBondContact O-ND2 3.35Å
399R90.9Very high92.3Very high95 Ų9578.1 Ų78.136%0.35844%0.439SS..  trans-88.2112.3171.7-178.6-179.5173.3171.43.7108.7D297 G298 E299 L401 W420D297-R399 PolarHBondContact O-NH1 2.7Å; G298-R399 PolarHBondContact O-NH1 3.25Å; E299-R399 IonicContact OE1-NH1 3.96Å; E299-R399 PolarHBondContact OE1-NH1 2.88Å; R399-L401 HydrophobicContact CG-CD2 4.32Å; R399-W420 HydrophobicContact CB-CH2 3.83Å; R399-W420 HydrophobicContact CB-CZ2 4.4Å; R399-W420 HydrophobicContact CB-CZ3 4.44Å; R399-W420 HydrophobicContact CG-CH2 4.03Å; R399-W420 HydrophobicContact CG-CZ3 4.13Å
400E89.3Confident92.4Very high83 Ų8374.4 Ų74.439%0.38841%0.413SS..  trans-76.1131.2170.8-64.8-179.7-16900110R404 N421E400-R404 IonicContact OE1-NH2 3.16Å; E400-R404 PolarHBondContact OE1-NH2 2.9Å; E400-R404 IonicContact OE2-CZ 2.97Å; E400-R404 VanDerWaalsContact OE2-CZ 3.29Å; E400-R404 IonicContact OE2-NE 3.9Å; E400-R404 PolarHBondContact OE2-NE 3.1Å; E400-R404 VanDerWaalsContact OE2-NE 3.1Å; E400-R404 IonicContact OE2-NH2 3.77Å; E400-R404 PolarHBondContact OE2-NH2 2.85Å; E400-N421 WeakPolarHBondContact CB-OD1 3.36Å; E400-N421 PolarHBondContact N-OD1 3.17Å
401L85.5Confident92.6Very high145 Ų14574.8 Ų74.876%0.75942%0.419SS*.  trans-94.7-8.2179.2-61.1178.4000112.7R399 K403R399-L401 HydrophobicContact CG-CD2 4.32Å; L401-K403 PolarHBondContact O-N 2.74Å
402Q87.8Confident92.6Very high161 Ų16171.4 Ų71.475%0.75240%0.402SS*.SBendtrans-74.4119.9178.8-174.9172.8-10.200109.9R404Q402-R404 PolarHBondContact O-N 3.18Å
403K90Very high92.6Very high146 Ų14673.6 Ų73.664%0.63542%0.424SS*.  trans-67.5110.2175.7-72.6-174.2-179.6-1760110.5L401 C405 S406 E418L401-K403 PolarHBondContact O-N 2.74Å; K403-C405 VanDerWaalsContact C-N 3.34Å; K403-S406 WeakPolarHBondContact CB-OG 3.12Å; K403-S406 WeakPolarHBondContact O-CB 3.37Å; K403-S406 PolarHBondContact O-N 3.11Å; K403-S406 PolarHBondContact O-OG 3.3Å; K403-E418 VanDerWaalsContact C-OE1 3.26Å; K403-E418 WeakPolarHBondContact CA-OE1 3.35Å; K403-E418 VanDerWaalsContact CB-OE1 3.32Å; K403-E418 WeakPolarHBondContact CB-OE1 3.45Å
404R91.4Very high92.5Very high87 Ų8773 Ų7333%0.32842%0.423SS..G310 helixtrans-76.7-21.5-174.2-67.6-169.2171.9-151.17.5112.5E400 Q402 S406 S407 E418 N421 Y423E400-R404 IonicContact OE1-NH2 3.16Å; E400-R404 PolarHBondContact OE1-NH2 2.9Å; E400-R404 IonicContact OE2-CZ 2.97Å; E400-R404 VanDerWaalsContact OE2-CZ 3.29Å; E400-R404 IonicContact OE2-NE 3.9Å; E400-R404 PolarHBondContact OE2-NE 3.1Å; E400-R404 VanDerWaalsContact OE2-NE 3.1Å; E400-R404 IonicContact OE2-NH2 3.77Å; E400-R404 PolarHBondContact OE2-NH2 2.85Å; Q402-R404 PolarHBondContact O-N 3.18Å; R404-S406 PolarHBondContact O-N 3.25Å; R404-S407 PolarHBondContact O-OG 3.02Å; R404-E418 PolarHBondContact N-OE1 2.92Å; R404-E418 PolarHBondContact N-OE2 2.7Å; R404-N421 PolarHBondContact NE-O 3.23Å; R404-N421 PolarHBondContact NH1-O 3.19Å; R404-N421 PolarHBondContact NH2-O 3.3Å; R404-N421 VanDerWaalsContact NH2-O 3.14Å; R404-Y423 HydrophobicContact CB-CD1 4.08Å
405C94.8Very high92.6Very high28 Ų2877.2 Ų77.219%0.18944%0.444CS..G310 helixtrans-71.7-13.1173.5-72.40000114K403 S407 A408 C416 K417 E418K403-C405 VanDerWaalsContact C-N 3.34Å; C405-S407 PolarHBondContact O-N 3.42Å; C405-A408 PolarHBondContact O-N 3.14Å; C405-C416 WeakPolarHBondContact CA-SG 3.46Å; C405-C416 HydrophobicContact CB-CB 3.74Å; C405-C416 WeakPolarHBondContact CB-SG 3.48Å; C405-C416 WeakPolarHBondContact SG-CB 3.22Å; C405-C416 CovalentContact SG-SG 2.04Å; C405-C416 PolarHBondContact SG-SG 3.07Å; C405-K417 VanDerWaalsContact SG-C 3.52Å; C405-E418 VanDerWaalsContact CB-OE1 3.24Å; C405-E418 WeakPolarHBondContact CB-OE1 3.31Å; C405-E418 PolarHBondContact N-OE1 3.11Å
406S92.9Very high92.9Very high98 Ų9876.3 Ų76.369%0.68544%0.438SS*.G310 helixtrans-65.4-23.4-179.4-46.80000113.2K403 R404 A408K403-S406 WeakPolarHBondContact CB-OG 3.12Å; K403-S406 WeakPolarHBondContact O-CB 3.37Å; K403-S406 PolarHBondContact O-N 3.11Å; K403-S406 PolarHBondContact O-OG 3.3Å; R404-S406 PolarHBondContact O-N 3.25Å; S406-A408 PolarHBondContact O-N 3.29Å
407S92.1Very high93.2Very high92 Ų9275.5 Ų75.564%0.64343%0.434SS*.G310 helixtrans-80.90.7174.655.40000113.5R404 C405R404-S407 PolarHBondContact O-OG 3.02Å; C405-S407 PolarHBondContact O-N 3.42Å
408A93.9Very high93.2Very high79 Ų7978.4 Ų78.465%0.65345%0.445SS*.  trans48.157.8-173.900000112.9C405 S406 C410C405-A408 PolarHBondContact O-N 3.14Å; S406-A408 PolarHBondContact O-N 3.29Å; A408-C410 VanDerWaalsContact C-N 3.27Å; A408-C410 PolarHBondContact O-N 3.01Å
409P96.2Very high93.4Very high26 Ų2675.4 Ų75.417%0.16943%0.429CS..  trans-71.4-20.6-172.630.1-35.9000113.7G411 Y423P409-G411 PolarHBondContact O-N 2.69Å; P409-Y423 HydrophobicContact CB-CD1 4.17Å; P409-Y423 HydrophobicContact CB-CD2 3.87Å; P409-Y423 HydrophobicContact CB-CE1 3.85Å; P409-Y423 HydrophobicContact CB-CE2 3.54Å; P409-Y423 HydrophobicContact CB-CG 4.18Å; P409-Y423 HydrophobicContact CG-CD1 3.83Å; P409-Y423 HydrophobicContact CG-CD2 3.4Å; P409-Y423 HydrophobicContact CG-CE1 4.05Å; P409-Y423 HydrophobicContact CG-CE2 3.65Å; P409-Y423 HydrophobicContact CG-CG 3.5Å; P409-Y423 VanDerWaalsContact CG-CG 3.5Å
410C97.3Very high93.6Very high17 Ų1771.1 Ų71.112%0.11541%0.412CS..  trans-81.9115.2-179.4-50.40000110.6A408 G414 C416 C425A408-C410 VanDerWaalsContact C-N 3.27Å; A408-C410 PolarHBondContact O-N 3.01Å; C410-G414 WeakPolarHBondContact CB-O 3.02Å; C410-C416 HydrophobicContact CB-CB 4.49Å; C410-C416 VanDerWaalsContact SG-CA 3.56Å; C410-C416 WeakPolarHBondContact SG-CB 3.24Å; C410-C425 WeakPolarHBondContact CA-SG 3.36Å; C410-C425 HydrophobicContact CB-CB 3.78Å; C410-C425 WeakPolarHBondContact CB-SG 3.3Å; C410-C425 WeakPolarHBondContact SG-CA 3.44Å; C410-C425 WeakPolarHBondContact SG-CB 3.41Å; C410-C425 CovalentContact SG-SG 2.03Å; C410-C425 PolarHBondContact SG-SG 3.36Å
411G96.5Very high93.9Very high29 Ų2968.9 Ų68.930%0.29940%0.403SS..  trans-73.5173175.500000113.2P409 G413 G414 N436 C437P409-G411 PolarHBondContact O-N 2.69Å; G411-G413 PolarHBondContact O-N 2.52Å; G411-G414 PolarHBondContact O-N 3.16Å; G411-N436 PolarHBondContact N-O 3.09Å; G411-C437 WeakPolarHBondContact O-CB 3.15Å
412N96Very high94.3Very high83 Ų8364.6 Ų64.644%0.44438%0.377SS..THydrogen-bonded Turntrans5231.2166.9-59.6-53.1000116.1G414 T430 Y432 C437N412-G414 VanDerWaalsContact C-N 3.34Å; N412-T430 WeakPolarHBondContact O-CB 3.45Å; N412-T430 WeakPolarHBondContact O-CG2 3.44Å; N412-Y432 HydrophobicContact CB-CD1 4.32Å; N412-Y432 HydrophobicContact CB-CD2 3.35Å; N412-Y432 HydrophobicContact CB-CE1 4.5Å; N412-Y432 HydrophobicContact CB-CE2 3.58Å; N412-Y432 HydrophobicContact CB-CG 3.77Å; N412-Y432 WeakPolarHBondContact ND2-CD1 3.41Å; N412-Y432 VanDerWaalsContact ND2-CE1 3.33Å; N412-Y432 WeakPolarHBondContact ND2-CE1 3.36Å; N412-C437 PolarHBondContact ND2-O 2.68Å
413G93.5Very high94.7Very high75 Ų7560 Ų6077%0.77335%0.353SS*.THydrogen-bonded Turntrans78.514179.700000114.7G411G411-G413 PolarHBondContact O-N 2.52Å
414G95.6Very high95Very high13 Ų1355.7 Ų55.713%0.13434%0.336CS..PPolyproline II helixtrans-62.5142.317400000112.6C410 G411 N412C410-G414 WeakPolarHBondContact CB-O 3.02Å; G411-G414 PolarHBondContact O-N 3.16Å; N412-G414 VanDerWaalsContact C-N 3.34Å
415L95.8Very high95.2Very high105 Ų10552.4 Ų52.455%0.5533%0.327SS..EExtended strand (participates in β ladder)trans-85.3117.5179.9173.868.6000110.3D426L415-D426 HydrophobicContact CB-CB 4.18Å; L415-D426 PolarHBondContact N-O 3.21Å; L415-D426 WeakPolarHBondContact O-CB 3.45Å; L415-D426 PolarHBondContact O-N 2.87Å
416C97Very high95.2Very high31 Ų3152.6 Ų52.621%0.20933%0.326CS..EExtended strand (participates in β ladder)trans-80.6129.8175.5-164.80000111.8C405 C410C405-C416 WeakPolarHBondContact CA-SG 3.46Å; C405-C416 HydrophobicContact CB-CB 3.74Å; C405-C416 WeakPolarHBondContact CB-SG 3.48Å; C405-C416 WeakPolarHBondContact SG-CB 3.22Å; C405-C416 CovalentContact SG-SG 2.04Å; C405-C416 PolarHBondContact SG-SG 3.07Å; C410-C416 HydrophobicContact CB-CB 4.49Å; C410-C416 VanDerWaalsContact SG-CA 3.56Å; C410-C416 WeakPolarHBondContact SG-CB 3.24Å
417K95.6Very high95.4Very high97 Ų9748.7 Ų48.742%0.42230%0.298SS..EExtended strand (participates in β ladder)trans-119.3139.2172.7-61.8173.9-169.6162.80109.4C405 I424 D426C405-K417 VanDerWaalsContact SG-C 3.52Å; K417-I424 HydrophobicContact CB-CB 4.39Å; K417-I424 PolarHBondContact N-O 2.77Å; K417-I424 PolarHBondContact O-N 3.12Å; K417-D426 IonicContact NZ-OD2 3.57Å; K417-D426 PolarHBondContact NZ-OD2 3.41Å
418E94.4Very high95.4Very high84 Ų8446.9 Ų46.939%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-76.8130.4174.7-64.4-71.3172.100109.9K403 R404 C405K403-E418 VanDerWaalsContact C-OE1 3.26Å; K403-E418 WeakPolarHBondContact CA-OE1 3.35Å; K403-E418 VanDerWaalsContact CB-OE1 3.32Å; K403-E418 WeakPolarHBondContact CB-OE1 3.45Å; R404-E418 PolarHBondContact N-OE1 2.92Å; R404-E418 PolarHBondContact N-OE2 2.7Å; C405-E418 VanDerWaalsContact CB-OE1 3.24Å; C405-E418 WeakPolarHBondContact CB-OE1 3.31Å; C405-E418 PolarHBondContact N-OE1 3.11Å
419G94.9Very high95.2Very high10 Ų1044.4 Ų44.410%0.10327%0.265CS..  trans-113.1-158.7174.100000112T236 N421 R422T236-G419 PolarHBondContact OG1-O 2.88Å; G419-N421 PolarHBondContact O-N 3.5Å; G419-R422 WeakPolarHBondContact CA-O 3.46Å; G419-R422 PolarHBondContact N-O 2.54Å
420W96Very high95.1Very high5 Ų544.4 Ų44.42%0.01927%0.265CS..SBendtrans-86.3108.1173.5-178.6-96.7000110.4R234 T236 E237 V366 C368 R399 R422R234-W420 HydrophobicContact CG-CH2 3.62Å; R234-W420 HydrophobicContact CG-CZ2 4.37Å; R234-W420 HydrophobicContact CG-CZ3 4.05Å; T236-W420 HydrophobicContact CG2-CE3 4.18Å; T236-W420 HydrophobicContact CG2-CZ3 4.4Å; E237-W420 HydrophobicContact CG-CB 4.18Å; E237-W420 PolarHBondContact OE1-N 3.05Å; V366-W420 HydrophobicContact CG1-CB 4.11Å; C368-W420 WeakPolarHBondContact SG-CZ2 3.14Å; R399-W420 HydrophobicContact CB-CH2 3.83Å; R399-W420 HydrophobicContact CB-CZ2 4.4Å; R399-W420 HydrophobicContact CB-CZ3 4.44Å; R399-W420 HydrophobicContact CG-CH2 4.03Å; R399-W420 HydrophobicContact CG-CZ3 4.13Å; W420-R422 PolarHBondContact O-N 2.97Å
421N94.8Very high95Very high35 Ų3543.8 Ų43.819%0.18726%0.262CS..SBendtrans50.626-175.8-59.3-18.2000113.9T398 E400 R404 G419T398-N421 PolarHBondContact O-ND2 3.35Å; E400-N421 WeakPolarHBondContact CB-OD1 3.36Å; E400-N421 PolarHBondContact N-OD1 3.17Å; R404-N421 PolarHBondContact NE-O 3.23Å; R404-N421 PolarHBondContact NH1-O 3.19Å; R404-N421 PolarHBondContact NH2-O 3.3Å; R404-N421 VanDerWaalsContact NH2-O 3.14Å; G419-N421 PolarHBondContact O-N 3.5Å
422R94.6Very high95Very high56 Ų5646.1 Ų46.121%0.21126%0.262CS..SBendtrans-150.9161.3178.370.5-178.7-173.6139.9-1.1110E237 G419 W420 I424E237-R422 IonicContact OE1-CZ 3.39Å; E237-R422 IonicContact OE1-NE 2.93Å; E237-R422 PolarHBondContact OE1-NE 2.95Å; E237-R422 IonicContact OE1-NH2 3.94Å; E237-R422 PolarHBondContact OE1-NH2 3.36Å; E237-R422 VanDerWaalsContact OE1-NH2 3.1Å; E237-R422 IonicContact OE2-CZ 3.63Å; E237-R422 IonicContact OE2-NE 2.67Å; E237-R422 IonicContact OE2-NH2 2.77Å; E237-R422 PolarHBondContact OE2-NH2 2.83Å; G419-R422 WeakPolarHBondContact CA-O 3.46Å; G419-R422 PolarHBondContact N-O 2.54Å; W420-R422 PolarHBondContact O-N 2.97Å; R422-I424 HydrophobicContact CG-CG1 4.49Å
423Y95.3Very high95Very high63 Ų6344 Ų4425%0.24725%0.251CS..EExtended strand (participates in β ladder)trans-100.9155.616462.2-92.3000108.8R404 P409 N436R404-Y423 HydrophobicContact CB-CD1 4.08Å; P409-Y423 HydrophobicContact CB-CD1 4.17Å; P409-Y423 HydrophobicContact CB-CD2 3.87Å; P409-Y423 HydrophobicContact CB-CE1 3.85Å; P409-Y423 HydrophobicContact CB-CE2 3.54Å; P409-Y423 HydrophobicContact CB-CG 4.18Å; P409-Y423 HydrophobicContact CG-CD1 3.83Å; P409-Y423 HydrophobicContact CG-CD2 3.4Å; P409-Y423 HydrophobicContact CG-CE1 4.05Å; P409-Y423 HydrophobicContact CG-CE2 3.65Å; P409-Y423 HydrophobicContact CG-CG 3.5Å; P409-Y423 VanDerWaalsContact CG-CG 3.5Å; Y423-N436 WeakPolarHBondContact CE2-OD1 3.37Å; Y423-N436 PolarHBondContact OH-ND2 2.74Å; Y423-N436 PolarHBondContact OH-OD1 2.85Å
424I96.2Very high95Very high56 Ų5642 Ų4229%0.28723%0.229SC..EExtended strand (participates in β ladder)trans-125.7121.9178.6-58.4166000107.1K417 R422K417-I424 HydrophobicContact CB-CB 4.39Å; K417-I424 PolarHBondContact N-O 2.77Å; K417-I424 PolarHBondContact O-N 3.12Å; R422-I424 HydrophobicContact CG-CG1 4.49Å
425C96.5Very high94.9Very high19 Ų1946.4 Ų46.413%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-94117.9176.3-64.90000110.9C410 C427 T435C410-C425 WeakPolarHBondContact CA-SG 3.36Å; C410-C425 HydrophobicContact CB-CB 3.78Å; C410-C425 WeakPolarHBondContact CB-SG 3.3Å; C410-C425 WeakPolarHBondContact SG-CA 3.44Å; C410-C425 WeakPolarHBondContact SG-CB 3.41Å; C410-C425 CovalentContact SG-SG 2.03Å; C410-C425 PolarHBondContact SG-SG 3.36Å; C425-C427 PolarHBondContact O-N 3.33Å; C425-T435 WeakPolarHBondContact CB-O 3.24Å; C425-T435 PolarHBondContact SG-O 2.84Å
426D94.9Very high94.9Very high31 Ų3143.8 Ų43.817%0.16624%0.24CC..EExtended strand (participates in β ladder)trans-86.995.6169.1-175.6-5.9000108.7L415 K417 T428L415-D426 HydrophobicContact CB-CB 4.18Å; L415-D426 PolarHBondContact N-O 3.21Å; L415-D426 WeakPolarHBondContact O-CB 3.45Å; L415-D426 PolarHBondContact O-N 2.87Å; K417-D426 IonicContact NZ-OD2 3.57Å; K417-D426 PolarHBondContact NZ-OD2 3.41Å; D426-T428 VanDerWaalsContact C-N 3.25Å; D426-T428 WeakPolarHBondContact OD1-CB 3.39Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.15Å; D426-T428 PolarHBondContact OD1-N 3.08Å; D426-T428 VanDerWaalsContact OD1-N 3.16Å; D426-T428 PolarHBondContact OD1-OG1 2.79Å
427C95.8Very high94.9Very high17 Ų1742.3 Ų42.312%0.11523%0.23CC..  trans-83.9-0.6-179.7-48.20000112.9C425 G429 T430 Y432 C437C425-C427 PolarHBondContact O-N 3.33Å; C427-G429 PolarHBondContact O-N 3.46Å; C427-T430 WeakPolarHBondContact O-CB 3.38Å; C427-T430 WeakPolarHBondContact O-CG2 3.48Å; C427-T430 PolarHBondContact O-N 3.02Å; C427-T430 VanDerWaalsContact O-N 3.09Å; C427-T430 PolarHBondContact O-OG1 3.17Å; C427-Y432 WeakPolarHBondContact CB-O 3.38Å; C427-C437 WeakPolarHBondContact CA-SG 3.42Å; C427-C437 HydrophobicContact CB-CB 3.76Å; C427-C437 WeakPolarHBondContact CB-SG 3.4Å; C427-C437 WeakPolarHBondContact SG-CA 3.47Å; C427-C437 WeakPolarHBondContact SG-CB 3.36Å; C427-C437 PolarHBondContact SG-N 3.41Å; C427-C437 VanDerWaalsContact SG-N 3.43Å; C427-C437 CovalentContact SG-SG 2.04Å; C427-C437 PolarHBondContact SG-SG 3.1Å
428T92.3Very high95Very high54 Ų5442.5 Ų42.533%0.33123%0.233SC..THydrogen-bonded Turntrans-65.1123.4-17662.30000110.7D426 A468 K529D426-T428 VanDerWaalsContact C-N 3.25Å; D426-T428 WeakPolarHBondContact OD1-CB 3.39Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.15Å; D426-T428 PolarHBondContact OD1-N 3.08Å; D426-T428 VanDerWaalsContact OD1-N 3.16Å; D426-T428 PolarHBondContact OD1-OG1 2.79Å; T428-A468 HydrophobicContact CG2-CB 4.09Å; T428-K529 WeakPolarHBondContact OG1-CE 3.26Å; T428-K529 PolarHBondContact OG1-NZ 3.36Å
429G90.3Very high95Very high26 Ų2642.6 Ų42.627%0.26824%0.235SC..THydrogen-bonded Turntrans91.2-1.5-177.400000115.8C427 R470 T527C427-G429 PolarHBondContact O-N 3.46Å; G429-R470 PolarHBondContact O-NE 3.39Å; G429-R470 PolarHBondContact O-NH2 2.87Å; G429-T527 VanDerWaalsContact CA-CG2 3.46Å; G429-T527 WeakPolarHBondContact CA-OG1 3.33Å
430T94.7Very high95.1Very high26 Ų2648.7 Ų48.716%0.1626%0.261CS..THydrogen-bonded Turntrans-86.1-23.5176.665.70000113N412 C427 Y432N412-T430 WeakPolarHBondContact O-CB 3.45Å; N412-T430 WeakPolarHBondContact O-CG2 3.44Å; C427-T430 WeakPolarHBondContact O-CB 3.38Å; C427-T430 WeakPolarHBondContact O-CG2 3.48Å; C427-T430 PolarHBondContact O-N 3.02Å; C427-T430 VanDerWaalsContact O-N 3.09Å; C427-T430 PolarHBondContact O-OG1 3.17Å; T430-Y432 VanDerWaalsContact C-N 3.28Å; T430-Y432 WeakPolarHBondContact O-CD2 3.33Å; T430-Y432 PolarHBondContact OG1-N 2.74Å; T430-Y432 PolarHBondContact OG1-O 2.89Å
431G94.8Very high95.1Very high5 Ų548.7 Ų48.75%0.05226%0.262CS..THydrogen-bonded Turntrans80.112.2-166.800000113.4A441 Q585G431-A441 VanDerWaalsContact O-CB 3.26Å; G431-A441 WeakPolarHBondContact O-CB 3.45Å; G431-A441 PolarHBondContact O-N 3.26Å; G431-Q585 VanDerWaalsContact CA-OE1 3.25Å; G431-Q585 PolarHBondContact O-NE2 3.44Å
432Y96.7Very high95.2Very high77 Ų7747.2 Ų47.230%0.30225%0.254SS..EExtended strand (participates in β ladder)trans-125.6162.5174.8-64.3-99.2000110.7N412 C427 T430 C437 I439 E440N412-Y432 HydrophobicContact CB-CD1 4.32Å; N412-Y432 HydrophobicContact CB-CD2 3.35Å; N412-Y432 HydrophobicContact CB-CE1 4.5Å; N412-Y432 HydrophobicContact CB-CE2 3.58Å; N412-Y432 HydrophobicContact CB-CG 3.77Å; N412-Y432 WeakPolarHBondContact ND2-CD1 3.41Å; N412-Y432 VanDerWaalsContact ND2-CE1 3.33Å; N412-Y432 WeakPolarHBondContact ND2-CE1 3.36Å; C427-Y432 WeakPolarHBondContact CB-O 3.38Å; T430-Y432 VanDerWaalsContact C-N 3.28Å; T430-Y432 WeakPolarHBondContact O-CD2 3.33Å; T430-Y432 PolarHBondContact OG1-N 2.74Å; T430-Y432 PolarHBondContact OG1-O 2.89Å; Y432-C437 VanDerWaalsContact CB-O 3.25Å; Y432-C437 WeakPolarHBondContact CB-O 3.43Å; Y432-I439 CarbonylContact C-O 3.59Å; Y432-I439 WeakPolarHBondContact CA-O 3.28Å; Y432-I439 WeakPolarHBondContact CB-O 3.44Å; Y432-E440 HydrophobicContact CD1-CB 4.25Å; Y432-E440 HydrophobicContact CE1-CB 4.07Å; Y432-E440 HydrophobicContact CE1-CG 4.45Å
433L95.1Very high95.3Very high40 Ų4045.5 Ų45.521%0.20925%0.25CS..EExtended strand (participates in β ladder)trans-140.5-174.5174.56593.4000109.6C437 E438 I439 A441 D596L433-C437 CarbonylContact O-C 3.58Å; L433-C437 WeakPolarHBondContact O-CA 3.5Å; L433-E438 PolarHBondContact O-N 2.98Å; L433-I439 HydrophobicContact CD1-CB 3.89Å; L433-I439 HydrophobicContact CD1-CD1 4.13Å; L433-I439 HydrophobicContact CD1-CG2 3.95Å; L433-I439 HydrophobicContact CG-CB 4.13Å; L433-I439 HydrophobicContact CG-CG2 4.25Å; L433-I439 PolarHBondContact N-O 3.05Å; L433-I439 WeakPolarHBondContact O-CB 3.12Å; L433-I439 PolarHBondContact O-N 3.01Å; L433-A441 HydrophobicContact CD2-CB 3.99Å; L433-D596 HydrophobicContact CD2-CB 4.05Å; L433-D596 WeakPolarHBondContact CD2-OD1 3.06Å; L433-D596 VanDerWaalsContact CD2-OD2 3.23Å; L433-D596 WeakPolarHBondContact CD2-OD2 3.26Å
434G93.7Very high95.5Very high31 Ų3142.6 Ų42.632%0.3224%0.239SC..SBendtrans97.6173.6-174.800000111.5N436 C437G434-N436 PolarHBondContact O-N 2.84Å; G434-C437 PolarHBondContact O-N 3.09Å
435T93.4Very high95.5Very high106 Ų10640 Ų4065%0.6523%0.226SC*.THydrogen-bonded Turntrans-63.2-30.9-173.6-51.80000112.2C425C425-T435 WeakPolarHBondContact CB-O 3.24Å; C425-T435 PolarHBondContact SG-O 2.84Å
436N96.5Very high95.6Very high50 Ų5039.1 Ų39.127%0.26722%0.22SC..THydrogen-bonded Turntrans-120.116.5-177.2-60.6-17.8000112.5G411 Y423 G434 E438G411-N436 PolarHBondContact N-O 3.09Å; Y423-N436 WeakPolarHBondContact CE2-OD1 3.37Å; Y423-N436 PolarHBondContact OH-ND2 2.74Å; Y423-N436 PolarHBondContact OH-OD1 2.85Å; G434-N436 PolarHBondContact O-N 2.84Å; N436-E438 VanDerWaalsContact C-N 3.27Å; N436-E438 WeakPolarHBondContact CA-OE2 3.33Å; N436-E438 WeakPolarHBondContact CB-OE2 3.27Å; N436-E438 PolarHBondContact N-OE2 2.83Å; N436-E438 PolarHBondContact O-N 3.12Å
437C97Very high95.4Very high0 Ų039.6 Ų39.60%022%0.222CC..SBendtrans57.936.3-174.1-42.90000113.6G411 N412 C427 Y432 L433 G434G411-C437 WeakPolarHBondContact O-CB 3.15Å; N412-C437 PolarHBondContact ND2-O 2.68Å; C427-C437 WeakPolarHBondContact CA-SG 3.42Å; C427-C437 HydrophobicContact CB-CB 3.76Å; C427-C437 WeakPolarHBondContact CB-SG 3.4Å; C427-C437 WeakPolarHBondContact SG-CA 3.47Å; C427-C437 WeakPolarHBondContact SG-CB 3.36Å; C427-C437 PolarHBondContact SG-N 3.41Å; C427-C437 VanDerWaalsContact SG-N 3.43Å; C427-C437 CovalentContact SG-SG 2.04Å; C427-C437 PolarHBondContact SG-SG 3.1Å; Y432-C437 VanDerWaalsContact CB-O 3.25Å; Y432-C437 WeakPolarHBondContact CB-O 3.43Å; L433-C437 CarbonylContact O-C 3.58Å; L433-C437 WeakPolarHBondContact O-CA 3.5Å; G434-C437 PolarHBondContact O-N 3.09Å
438E96.4Very high95.3Very high102 Ų10239.2 Ų39.248%0.47722%0.221SC..  trans-93.9-16.5-174.973.2-77.9-166.800113.9L433 N436L433-E438 PolarHBondContact O-N 2.98Å; N436-E438 VanDerWaalsContact C-N 3.27Å; N436-E438 WeakPolarHBondContact CA-OE2 3.33Å; N436-E438 WeakPolarHBondContact CB-OE2 3.27Å; N436-E438 PolarHBondContact N-OE2 2.83Å; N436-E438 PolarHBondContact O-N 3.12Å
439I96.1Very high95.3Very high85 Ų8540 Ų4044%0.43623%0.229SC..EExtended strand (participates in β ladder)trans-99.6122.3-176-53.4177.9000108.8Y432 L433 A441Y432-I439 CarbonylContact C-O 3.59Å; Y432-I439 WeakPolarHBondContact CA-O 3.28Å; Y432-I439 WeakPolarHBondContact CB-O 3.44Å; L433-I439 HydrophobicContact CD1-CB 3.89Å; L433-I439 HydrophobicContact CD1-CD1 4.13Å; L433-I439 HydrophobicContact CD1-CG2 3.95Å; L433-I439 HydrophobicContact CG-CB 4.13Å; L433-I439 HydrophobicContact CG-CG2 4.25Å; L433-I439 PolarHBondContact N-O 3.05Å; L433-I439 WeakPolarHBondContact O-CB 3.12Å; L433-I439 PolarHBondContact O-N 3.01Å; I439-A441 PolarHBondContact O-N 3.06Å
440E95.6Very high95.5Very high138 Ų13839.6 Ų39.665%0.64522%0.22SC*.EExtended strand (participates in β ladder)trans-65.3126.1177-171.4-178-175.100110.7Y432Y432-E440 HydrophobicContact CD1-CB 4.25Å; Y432-E440 HydrophobicContact CE1-CB 4.07Å; Y432-E440 HydrophobicContact CE1-CG 4.45Å
441A96.6Very high95.6Very high5 Ų541.4 Ų41.44%0.04122%0.224CC..PPolyproline II helixtrans-76140.8-177.700000111.5G431 L433 I439 V443 Q585G431-A441 VanDerWaalsContact O-CB 3.26Å; G431-A441 WeakPolarHBondContact O-CB 3.45Å; G431-A441 PolarHBondContact O-N 3.26Å; L433-A441 HydrophobicContact CD2-CB 3.99Å; I439-A441 PolarHBondContact O-N 3.06Å; A441-V443 PolarHBondContact O-N 2.97Å; A441-Q585 HydrophobicContact CB-CG 3.95Å; A441-Q585 PolarHBondContact O-NE2 3.49Å
442T96.3Very high95.8Very high5 Ų541.2 Ų41.23%0.03122%0.222CC..PPolyproline II helixtrans-63.1132.2-177-67.70000112.6Q585 L595 D596 K599 F612T442-Q585 WeakPolarHBondContact O-CA 3.12Å; T442-L595 HydrophobicContact CG2-CB 4.19Å; T442-D596 WeakPolarHBondContact CB-OD1 3.19Å; T442-D596 PolarHBondContact N-OD1 3.21Å; T442-D596 PolarHBondContact OG1-OD1 3.5Å; T442-K599 HydrophobicContact CG2-CB 4.13Å; T442-K599 HydrophobicContact CG2-CD 3.65Å; T442-K599 HydrophobicContact CG2-CG 4.41Å; T442-K599 WeakPolarHBondContact OG1-CD 3.28Å; T442-F612 HydrophobicContact CG2-CD1 3.54Å; T442-F612 HydrophobicContact CG2-CE1 3.81Å
443V98.1Very high95.9Very high20 Ų2038.6 Ų38.612%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-99.2134.3171.7-179.80000110.1A441 W525 H583 L584 Q585 F612 G613 M614A441-V443 PolarHBondContact O-N 2.97Å; V443-W525 HydrophobicContact CG1-CH2 4.14Å; V443-W525 HydrophobicContact CG1-CZ2 4.35Å; V443-W525 HydrophobicContact CG2-CH2 4.35Å; V443-W525 HydrophobicContact CG2-CZ2 4.25Å; V443-H583 HydrophobicContact CG1-CB 4.03Å; V443-L584 CarbonylContact C-O 3.55Å; V443-L584 WeakPolarHBondContact CA-O 3.07Å; V443-Q585 HydrophobicContact CG2-CB 4.15Å; V443-Q585 HydrophobicContact CG2-CG 3.95Å; V443-F612 WeakPolarHBondContact O-CA 3.38Å; V443-G613 PolarHBondContact O-N 3.31Å; V443-M614 HydrophobicContact CG1-CB 4.43Å
444L97.8Very high96Very high1 Ų136.7 Ų36.71%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-119.5132.6172.6-150.971.8000110.4Y446 L452 H583 L584 L608 A610 F612L444-Y446 HydrophobicContact CB-CE2 3.86Å; L444-Y446 HydrophobicContact CD2-CE1 4.19Å; L444-Y446 HydrophobicContact CD2-CE2 4.13Å; L444-Y446 WeakPolarHBondContact CD2-OH 3.47Å; L444-Y446 HydrophobicContact CG-CE2 4.16Å; L444-Y446 WeakPolarHBondContact O-CE2 3.37Å; L444-L452 HydrophobicContact CD2-CB 3.77Å; L444-L452 HydrophobicContact CD2-CD2 3.89Å; L444-L452 HydrophobicContact CD2-CG 4.42Å; L444-H583 CarbonylContact O-C 3.57Å; L444-H583 VanDerWaalsContact O-CA 3.3Å; L444-H583 WeakPolarHBondContact O-CA 3.36Å; L444-L584 PolarHBondContact N-O 2.85Å; L444-L584 PolarHBondContact O-N 3.03Å; L444-L608 HydrophobicContact CD1-CD1 4.05Å; L444-L608 HydrophobicContact CD2-CD1 4.31Å; L444-A610 HydrophobicContact CD1-CB 4.34Å; L444-A610 HydrophobicContact CD2-CB 3.54Å; L444-A610 HydrophobicContact CG-CB 3.73Å; L444-F612 HydrophobicContact CD1-CB 4.5Å; L444-F612 HydrophobicContact CD1-CD1 3.28Å; L444-F612 HydrophobicContact CD1-CD2 4.44Å; L444-F612 HydrophobicContact CD1-CE1 3.42Å; L444-F612 VanDerWaalsContact CD1-CE1 3.42Å; L444-F612 HydrophobicContact CD1-CG 3.84Å; L444-F612 HydrophobicContact CD1-CZ 4.08Å
445S97.9Very high96.2Very high2 Ų237.3 Ų37.31%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-105.5136.6-177.9-61.90000111.7H583 R611 G613S445-H583 PolarHBondContact OG-CE1 3.04Å; S445-H583 PolarHBondContact OG-ND1 2.68Å; S445-R611 PolarHBondContact N-O 2.97Å; S445-R611 PolarHBondContact O-N 2.94Å; S445-G613 PolarHBondContact OG-O 3.04Å
446Y97.7Very high96.2Very high1 Ų133.3 Ų33.30%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-128.4133.8-177.2-55.9-101.7000110.6L444 M450 T564 F580 I581 G582 L584 A610 I617L444-Y446 HydrophobicContact CB-CE2 3.86Å; L444-Y446 HydrophobicContact CD2-CE1 4.19Å; L444-Y446 HydrophobicContact CD2-CE2 4.13Å; L444-Y446 WeakPolarHBondContact CD2-OH 3.47Å; L444-Y446 HydrophobicContact CG-CE2 4.16Å; L444-Y446 WeakPolarHBondContact O-CE2 3.37Å; Y446-M450 HydrophobicContact CD1-CB 4.15Å; Y446-M450 WeakPolarHBondContact CD1-O 3.2Å; Y446-T564 WeakPolarHBondContact OH-CB 3.36Å; Y446-T564 PolarHBondContact OH-OG1 3.18Å; Y446-F580 WeakPolarHBondContact CB-O 3.34Å; Y446-F580 AromaticContact CD2-CD1 3.71Å; Y446-F580 HydrophobicContact CD2-CD1 3.71Å; Y446-F580 HydrophobicContact CD2-CE1 4Å; Y446-F580 HydrophobicContact CE2-CD1 4.42Å; Y446-F580 AromaticContact CG-CD1 3.89Å; Y446-F580 HydrophobicContact CG-CD1 3.89Å; Y446-I581 WeakPolarHBondContact O-CA 3.45Å; Y446-G582 PolarHBondContact N-O 2.81Å; Y446-G582 PolarHBondContact O-N 3.22Å; Y446-L584 HydrophobicContact CD2-CG 4.3Å; Y446-L584 HydrophobicContact CE2-CB 3.95Å; Y446-L584 HydrophobicContact CE2-CD1 3.73Å; Y446-L584 HydrophobicContact CE2-CG 3.66Å; Y446-A610 HydrophobicContact CD1-CB 4.04Å; Y446-A610 HydrophobicContact CE1-CB 3.89Å; Y446-I617 WeakPolarHBondContact O-CD1 3.31Å
447D91.7Very high95.9Very high41 Ų4135.3 Ų35.322%0.21919%0.188CC..EExtended strand (participates in β ladder)trans-107.914.4179.867.74.4000113.4S449 M450 I617 A619D447-S449 VanDerWaalsContact C-N 3.27Å; D447-S449 PolarHBondContact O-N 2.04Å; D447-S449 WeakPolarHBondContact OD1-CA 3.21Å; D447-S449 WeakPolarHBondContact OD1-CB 3.3Å; D447-S449 PolarHBondContact OD1-N 2.99Å; D447-S449 PolarHBondContact OD1-OG 3.04Å; D447-S449 PolarHBondContact OD2-OG 2.99Å; D447-M450 HydrophobicContact CB-SD 4.4Å; D447-M450 WeakPolarHBondContact OD1-CG 3.44Å; D447-M450 PolarHBondContact OD1-N 2.81Å; D447-M450 VanDerWaalsContact OD2-CE 3.23Å; D447-M450 WeakPolarHBondContact OD2-CE 3.18Å; D447-I617 HydrophobicContact CB-CG2 3.88Å; D447-A619 HydrophobicContact CB-CB 4.28Å; D447-A619 WeakPolarHBondContact O-CB 3.33Å
448G92.4Very high95.5Very high9 Ų941 Ų419%0.09322%0.217CC..SBendtrans86.5-10.6-176.300000114.3N579 F580G448-N579 WeakPolarHBondContact O-CB 3.34Å; G448-N579 PolarHBondContact O-ND2 3.11Å; G448-F580 VanDerWaalsContact CA-O 3.25Å; G448-F580 WeakPolarHBondContact CA-O 3.43Å; G448-F580 PolarHBondContact N-O 3.27Å
449S91.6Very high95.2Very high71 Ų7138.8 Ų38.850%0.49721%0.21SC..SBendtrans-112.53.5172.876.30000113.3D447 I566 N609D447-S449 VanDerWaalsContact C-N 3.27Å; D447-S449 PolarHBondContact O-N 2.04Å; D447-S449 WeakPolarHBondContact OD1-CA 3.21Å; D447-S449 WeakPolarHBondContact OD1-CB 3.3Å; D447-S449 PolarHBondContact OD1-N 2.99Å; D447-S449 PolarHBondContact OD1-OG 3.04Å; D447-S449 PolarHBondContact OD2-OG 2.99Å; S449-I566 VanDerWaalsContact C-CD1 3.47Å; S449-N609 PolarHBondContact O-ND2 3.13Å
450M95.6Very high95Very high17 Ų1736.4 Ų36.48%0.08420%0.198CC..  trans-109.6148.2-173.3-72.1172.7-179.500112.9Y446 D447 G565 I566 N609 A610 R611Y446-M450 HydrophobicContact CD1-CB 4.15Å; Y446-M450 WeakPolarHBondContact CD1-O 3.2Å; D447-M450 HydrophobicContact CB-SD 4.4Å; D447-M450 WeakPolarHBondContact OD1-CG 3.44Å; D447-M450 PolarHBondContact OD1-N 2.81Å; D447-M450 VanDerWaalsContact OD2-CE 3.23Å; D447-M450 WeakPolarHBondContact OD2-CE 3.18Å; M450-G565 CarbonylContact O-C 3.59Å; M450-G565 WeakPolarHBondContact O-CA 3.21Å; M450-I566 WeakPolarHBondContact O-CG1 2.84Å; M450-N609 VanDerWaalsContact CA-OD1 3.23Å; M450-N609 WeakPolarHBondContact CA-OD1 3.46Å; M450-A610 HydrophobicContact CB-CB 4Å; M450-R611 HydrophobicContact CE-CG 3.86Å; M450-R611 HydrophobicContact SD-CG 4.19Å
451Y97.6Very high94.9Very high63 Ų6333 Ų3325%0.24718%0.182CC..  trans-140.5161.5175.571.4-86.1000112K453 T564 T568 E607 L608 N609 A610Y451-K453 HydrophobicContact CD2-CB 3.98Å; Y451-K453 HydrophobicContact CE2-CB 4.1Å; Y451-T564 VanDerWaalsContact CA-O 3.29Å; Y451-T564 WeakPolarHBondContact CA-O 3.18Å; Y451-T568 HydrophobicContact CD1-CG2 4.28Å; Y451-T568 HydrophobicContact CD2-CG2 3.98Å; Y451-T568 HydrophobicContact CE2-CG2 4.3Å; Y451-T568 HydrophobicContact CG-CG2 3.98Å; Y451-E607 HydrophobicContact CE2-CB 4.37Å; Y451-L608 VanDerWaalsContact O-CA 3.3Å; Y451-L608 WeakPolarHBondContact O-CA 3.47Å; Y451-L608 VanDerWaalsContact O-CB 3.31Å; Y451-L608 WeakPolarHBondContact O-CB 3.45Å; Y451-N609 VanDerWaalsContact CD1-OD1 3.22Å; Y451-N609 WeakPolarHBondContact CD1-OD1 3.28Å; Y451-N609 PolarHBondContact N-OD1 3.46Å; Y451-N609 PolarHBondContact O-N 2.87Å; Y451-N609 PolarHBondContact O-OD1 2.83Å; Y451-A610 PolarHBondContact O-N 3.24Å
452L98.1Very high94.9Very high2 Ų232.8 Ų32.81%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-129.9129.9158.6158.673.3000107.4L444 E563 T564 L595 C606 E607 L608L444-L452 HydrophobicContact CD2-CB 3.77Å; L444-L452 HydrophobicContact CD2-CD2 3.89Å; L444-L452 HydrophobicContact CD2-CG 4.42Å; L452-E563 CarbonylContact O-C 3.58Å; L452-E563 WeakPolarHBondContact O-CA 3.36Å; L452-T564 WeakPolarHBondContact CB-OG1 3.34Å; L452-T564 PolarHBondContact N-O 2.9Å; L452-T564 VanDerWaalsContact N-O 3.11Å; L452-T564 PolarHBondContact O-N 2.86Å; L452-T564 PolarHBondContact O-OG1 3.28Å; L452-L595 HydrophobicContact CD2-CD2 3.34Å; L452-C606 HydrophobicContact CD1-CB 4.17Å; L452-E607 CarbonylContact C-O 3.56Å; L452-E607 WeakPolarHBondContact CA-O 3.12Å; L452-L608 HydrophobicContact CB-CB 3.92Å; L452-L608 HydrophobicContact CD1-CB 3.8Å; L452-L608 HydrophobicContact CD1-CD2 3.98Å; L452-L608 HydrophobicContact CD1-CG 4.34Å; L452-L608 HydrophobicContact CG-CB 4.5Å
453K98.2Very high95Very high22 Ų2233.1 Ų33.110%0.09618%0.181CC..EExtended strand (participates in β ladder)trans-125.3116.6179.8176.9176.9-161.4163.40109.3Y451 I455 N561 E563 T568 E607Y451-K453 HydrophobicContact CD2-CB 3.98Å; Y451-K453 HydrophobicContact CE2-CB 4.1Å; K453-I455 HydrophobicContact CD-CG1 4.3Å; K453-I455 HydrophobicContact CG-CG1 4.05Å; K453-N561 VanDerWaalsContact CE-OD1 3.27Å; K453-N561 WeakPolarHBondContact CE-OD1 3.42Å; K453-N561 HydrophobicContact CG-CB 4.14Å; K453-E563 HydrophobicContact CB-CG 4.3Å; K453-E563 HydrophobicContact CG-CG 4.01Å; K453-T568 WeakPolarHBondContact CD-OG1 3.38Å; K453-T568 PolarHBondContact NZ-OG1 2.79Å; K453-E607 HydrophobicContact CB-CB 4.41Å; K453-E607 PolarHBondContact N-O 2.98Å; K453-E607 PolarHBondContact O-N 2.86Å
454I98.3Very high94.9Very high0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-93.7118.8171.2-60.1131.4000106.9M456 N561 I562 L587 Y594 Y605I454-M456 HydrophobicContact CG2-SD 4.25Å; I454-N561 CarbonylContact O-C 3.56Å; I454-N561 WeakPolarHBondContact O-CA 3.48Å; I454-N561 WeakPolarHBondContact O-CB 3.41Å; I454-I562 HydrophobicContact CB-CB 4.26Å; I454-I562 HydrophobicContact CD1-CB 4.01Å; I454-I562 HydrophobicContact CD1-CG2 4.07Å; I454-I562 PolarHBondContact N-O 3.09Å; I454-I562 PolarHBondContact O-N 3.5Å; I454-L587 HydrophobicContact CD1-CD2 4.4Å; I454-Y594 HydrophobicContact CD1-CD1 4.08Å; I454-Y594 HydrophobicContact CD1-CD2 4.15Å; I454-Y594 HydrophobicContact CD1-CG 3.67Å; I454-Y594 HydrophobicContact CG1-CD1 4.09Å; I454-Y594 HydrophobicContact CG1-CG 4.21Å; I454-Y594 HydrophobicContact CG2-CD1 3.79Å; I454-Y594 HydrophobicContact CG2-CE1 3.65Å; I454-Y594 HydrophobicContact CG2-CG 4.49Å; I454-Y605 HydrophobicContact CG2-CD2 4.04Å; I454-Y605 HydrophobicContact CG2-CE2 4.15Å
455I97.3Very high95Very high43 Ų4332.2 Ų32.222%0.22118%0.176CC..EExtended strand (participates in β ladder)trans-96.4115.2179.9-56.7173.8000107.8K453 Y605 E607K453-I455 HydrophobicContact CD-CG1 4.3Å; K453-I455 HydrophobicContact CG-CG1 4.05Å; I455-Y605 PolarHBondContact N-O 2.87Å; I455-Y605 WeakPolarHBondContact O-CB 3.3Å; I455-Y605 WeakPolarHBondContact O-CD2 3.27Å; I455-E607 VanDerWaalsContact CD1-CD 3.47Å; I455-E607 HydrophobicContact CD1-CG 4.05Å; I455-E607 WeakPolarHBondContact CD1-OE1 3.2Å
456M94Very high95Very high23 Ų2333.2 Ų33.211%0.11318%0.181CC..EExtended strand (participates in β ladder)trans-66.4132.6-179.4-59.5-53-56.300109.9I454 I458 M460 F559 H560 I562I454-M456 HydrophobicContact CG2-SD 4.25Å; M456-I458 WeakPolarHBondContact CB-O 3.49Å; M456-I458 PolarHBondContact O-N 3.23Å; M456-M460 HydrophobicContact CB-CG 3.85Å; M456-M460 HydrophobicContact CE-CE 4.48Å; M456-M460 HydrophobicContact CE-CG 3.75Å; M456-M460 HydrophobicContact CE-SD 3.9Å; M456-M460 HydrophobicContact CG-CG 3.65Å; M456-M460 HydrophobicContact SD-CG 4.4Å; M456-F559 HydrophobicContact CG-CD2 4.08Å; M456-F559 HydrophobicContact CG-CE2 3.86Å; M456-F559 HydrophobicContact SD-CE2 4.24Å; M456-H560 WeakPolarHBondContact CB-O 3.48Å; M456-H560 PolarHBondContact N-O 2.86Å; M456-I562 HydrophobicContact SD-CD1 4.32Å
457P90.1Very high95Very high91 Ų9133.3 Ų33.359%0.59118%0.182SC*.EExtended strand (participates in β ladder)trans-59.3-30.5178.6-26.534.8000113.6Y605P457-Y605 HydrophobicContact CG-CD1 3.89Å; P457-Y605 HydrophobicContact CG-CD2 4.5Å; P457-Y605 HydrophobicContact CG-CE1 3.77Å; P457-Y605 HydrophobicContact CG-CE2 4.39Å; P457-Y605 HydrophobicContact CG-CG 4.25Å
458I87.8Confident95.3Very high120 Ų12032 Ų3262%0.61518%0.176SC*.EExtended strand (participates in β ladder)trans-128.6154.1173.960172.8000109.4M456 M460M456-I458 WeakPolarHBondContact CB-O 3.49Å; M456-I458 PolarHBondContact O-N 3.23Å; I458-M460 HydrophobicContact CD1-SD 4.49Å; I458-M460 HydrophobicContact CG1-SD 4.02Å; I458-M460 PolarHBondContact O-N 2.85Å
459T90.6Very high95.6Very high55 Ų5531.7 Ų31.734%0.33717%0.173SC..EExtended strand (participates in β ladder)trans-61.6125.5172.9-53.90000109.6E558 H560T459-E558 HydrophobicContact CG2-CG 3.84Å; T459-H560 PolarHBondContact OG1-CD2 3.13Å; T459-H560 PolarHBondContact OG1-NE2 3.43Å
460M92.8Very high95.9Very high35 Ų3530.2 Ų30.217%0.17216%0.157CC..EExtended strand (participates in β ladder)trans-93.6135.1-176.7-63.1-59.3-65.600110.2L360 M456 I458 E558 F559L360-M460 HydrophobicContact CD2-CE 4.23Å; M456-M460 HydrophobicContact CB-CG 3.85Å; M456-M460 HydrophobicContact CE-CE 4.48Å; M456-M460 HydrophobicContact CE-CG 3.75Å; M456-M460 HydrophobicContact CE-SD 3.9Å; M456-M460 HydrophobicContact CG-CG 3.65Å; M456-M460 HydrophobicContact SD-CG 4.4Å; I458-M460 HydrophobicContact CD1-SD 4.49Å; I458-M460 HydrophobicContact CG1-SD 4.02Å; I458-M460 PolarHBondContact O-N 2.85Å; M460-E558 WeakPolarHBondContact O-CA 3.5Å; M460-F559 HydrophobicContact CB-CD1 3.94Å; M460-F559 HydrophobicContact CB-CD2 4.05Å; M460-F559 HydrophobicContact CB-CE1 3.56Å; M460-F559 HydrophobicContact CB-CE2 3.67Å; M460-F559 HydrophobicContact CB-CG 4.18Å; M460-F559 HydrophobicContact CB-CZ 3.4Å; M460-F559 VanDerWaalsContact CB-CZ 3.4Å; M460-F559 HydrophobicContact CG-CD2 4.38Å; M460-F559 HydrophobicContact CG-CE1 4.47Å; M460-F559 HydrophobicContact CG-CE2 3.78Å; M460-F559 HydrophobicContact CG-CZ 3.83Å; M460-F559 PolarHBondContact N-O 3.24Å; M460-F559 PolarHBondContact O-N 3.02Å
461H93.6Very high96.1Very high67 Ų6729.4 Ų29.431%0.3115%0.153SC..EExtended strand (participates in β ladder)trans-125.6125.5170.5-62-81.3000109.1P354 L360 R556 L557 E558P354-H461 HydrophobicContact CB-CB 4.49Å; P354-H461 HydrophobicContact CG-CB 3.53Å; L360-H461 WeakPolarHBondContact CD1-O 3.02Å; H461-R556 HydrophobicContact CB-CG 4.18Å; H461-L557 CarbonylContact C-O 3.56Å; H461-L557 VanDerWaalsContact CA-O 3.31Å; H461-L557 WeakPolarHBondContact CA-O 3.4Å; H461-E558 IonicContact CE1-OE2 3.29Å; H461-E558 PolarHBondContact CE1-OE2 2.87Å
462T96.5Very high96.1Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-137.5143.3-172.747.40000111.2L360 E465 R532 R556 L557 F559L360-T462 HydrophobicContact CD1-CG2 4.25Å; T462-E465 WeakPolarHBondContact CB-OE1 3.13Å; T462-E465 PolarHBondContact OG1-OE1 3.34Å; T462-R532 PolarHBondContact O-NH2 2.77Å; T462-R556 CarbonylContact O-C 3.13Å; T462-R556 WeakPolarHBondContact O-CA 3.43Å; T462-L557 PolarHBondContact N-O 3.45Å; T462-L557 PolarHBondContact O-N 2.95Å; T462-L557 PolarHBondContact OG1-O 3.23Å; T462-F559 HydrophobicContact CG2-CE1 4.1Å
463E96.6Very high96Very high12 Ų1226.9 Ų26.96%0.05614%0.143CC..SBendtrans-113.3-2.5167.4-65.6-168.1156.200112.4K285 P354 G534 T555 R556K285-E463 IonicContact NZ-OE1 3.93Å; K285-E463 PolarHBondContact NZ-OE1 2.85Å; K285-E463 IonicContact NZ-OE2 3.38Å; K285-E463 PolarHBondContact NZ-OE2 2.98Å; P354-E463 HydrophobicContact CB-CG 3.91Å; P354-E463 WeakPolarHBondContact O-CB 3.21Å; E463-G534 VanDerWaalsContact O-CA 3.29Å; E463-G534 WeakPolarHBondContact O-CA 3.43Å; E463-G534 PolarHBondContact O-N 2.87Å; E463-T555 PolarHBondContact OE1-OG1 2.62Å; E463-R556 HydrophobicContact CG-CB 4.37Å
464A97.8Very high95.7Very high2 Ų227.3 Ų27.32%0.01715%0.145CC..EExtended strand (participates in β ladder)trans-148.3135.2179.400000109.9W357 L361 R532W357-A464 HydrophobicContact CB-CB 3.85Å; W357-A464 HydrophobicContact CD2-CB 3.91Å; W357-A464 HydrophobicContact CE3-CB 4.46Å; W357-A464 HydrophobicContact CG-CB 3.62Å; L361-A464 HydrophobicContact CD1-CB 4.08Å; L361-A464 HydrophobicContact CG-CB 4.4Å; A464-R532 WeakPolarHBondContact CA-O 3.42Å; A464-R532 WeakPolarHBondContact CB-O 3.31Å
465E98.4Very high95.5Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-141.9143.2-179.3-50.278.5-146.100110.6T462 V467 L492 R532 R533 F589 N590T462-E465 WeakPolarHBondContact CB-OE1 3.13Å; T462-E465 PolarHBondContact OG1-OE1 3.34Å; E465-V467 HydrophobicContact CB-CG2 4.44Å; E465-L492 HydrophobicContact CB-CD1 4.32Å; E465-L492 HydrophobicContact CG-CD1 4.4Å; E465-R532 PolarHBondContact N-O 2.94Å; E465-R532 VanDerWaalsContact N-O 3.11Å; E465-R532 PolarHBondContact O-N 2.85Å; E465-R532 IonicContact OE1-CZ 3.09Å; E465-R532 IonicContact OE1-NE 3.94Å; E465-R532 IonicContact OE1-NH2 3.72Å; E465-R532 PolarHBondContact OE1-NH2 2.83Å; E465-R532 WeakPolarHBondContact OE2-CB 3.37Å; E465-R532 WeakPolarHBondContact OE2-CD 3.41Å; E465-R532 IonicContact OE2-CZ 3.49Å; E465-R532 IonicContact OE2-NE 2.99Å; E465-R532 PolarHBondContact OE2-NE 2.83Å; E465-R532 IonicContact OE2-NH2 3.74Å; E465-R533 PolarHBondContact O-NH1 3.44Å; E465-F589 HydrophobicContact CB-CZ 4.31Å; E465-F589 HydrophobicContact CG-CE1 4.45Å; E465-F589 HydrophobicContact CG-CZ 4.04Å; E465-N590 VanDerWaalsContact CA-OD1 3.24Å; E465-N590 WeakPolarHBondContact CA-OD1 3.4Å
466D98.1Very high95.3Very high23 Ų2325.5 Ų25.512%0.12314%0.136CC..EExtended strand (participates in β ladder)trans-117.9115.4168.3-71.4-21.5000108.4L361 Y363 V530 R533 F589 N590L361-D466 HydrophobicContact CD2-CB 4.22Å; Y363-D466 PolarHBondContact OH-OD2 2.92Å; D466-V530 WeakPolarHBondContact CA-O 3.47Å; D466-R533 VanDerWaalsContact CG-NH2 3.26Å; D466-R533 IonicContact OD1-CZ 3.92Å; D466-R533 VanDerWaalsContact OD1-CZ 3.22Å; D466-R533 IonicContact OD1-NH1 3.5Å; D466-R533 PolarHBondContact OD1-NH1 2.9Å; D466-R533 IonicContact OD1-NH2 3.47Å; D466-R533 PolarHBondContact OD1-NH2 2.95Å; D466-R533 IonicContact OD2-CZ 3.57Å; D466-R533 IonicContact OD2-NH1 2.66Å; D466-R533 IonicContact OD2-NH2 3.88Å; D466-R533 PolarHBondContact OD2-NH2 2.91Å; D466-F589 CarbonylContact O-C 3.58Å; D466-F589 WeakPolarHBondContact O-CA 3.43Å; D466-N590 PolarHBondContact N-OD1 2.81Å; D466-N590 PolarHBondContact O-N 2.9Å
467V98.5Very high95.3Very high4 Ų425.9 Ų25.92%0.02414%0.137CC..EExtended strand (participates in β ladder)trans-123129.6-177.2-179.80000109.1E465 M481 L492 L494 K529 V530 S588 F589E465-V467 HydrophobicContact CB-CG2 4.44Å; V467-M481 HydrophobicContact CB-CE 4.22Å; V467-M481 HydrophobicContact CG1-CE 3.22Å; V467-M481 HydrophobicContact CG2-CE 3.98Å; V467-L492 HydrophobicContact CG2-CD2 4.31Å; V467-L494 HydrophobicContact CG1-CD1 4.18Å; V467-K529 CarbonylContact O-C 3.48Å; V467-K529 VanDerWaalsContact O-CA 3.32Å; V467-K529 WeakPolarHBondContact O-CA 3.29Å; V467-V530 HydrophobicContact CB-CB 4.16Å; V467-V530 PolarHBondContact N-O 2.94Å; V467-V530 PolarHBondContact O-N 2.91Å; V467-S588 CarbonylContact C-O 3.57Å; V467-S588 WeakPolarHBondContact CA-O 3.26Å; V467-F589 HydrophobicContact CG2-CD2 3.54Å; V467-F589 HydrophobicContact CG2-CE2 3.68Å; V467-F589 HydrophobicContact CG2-CG 4.28Å
468A98.1Very high95.6Very high12 Ų1221.6 Ų21.610%0.09911%0.109CC..EExtended strand (participates in β ladder)trans-135.3141.9171.400000110.6T428 V528 K529 L587 S588T428-A468 HydrophobicContact CG2-CB 4.09Å; A468-V528 VanDerWaalsContact CA-O 3.27Å; A468-V528 WeakPolarHBondContact CA-O 3.38Å; A468-K529 HydrophobicContact CB-CG 4.33Å; A468-L587 CarbonylContact O-C 3.58Å; A468-L587 WeakPolarHBondContact O-CA 3.04Å; A468-S588 PolarHBondContact N-O 3.38Å; A468-S588 PolarHBondContact O-N 2.98Å
469L98.3Very high96.1Very high3 Ų316 Ų162%0.0168%0.08CC..EExtended strand (participates in β ladder)trans-154.5160.1170.262.483.6000109.8F471 L480 M481 L494 V528 L584 L587L469-F471 HydrophobicContact CD1-CB 4.27Å; L469-F471 HydrophobicContact CD1-CD1 4.24Å; L469-L480 HydrophobicContact CD1-CB 4.42Å; L469-L480 HydrophobicContact CD1-CD1 4.44Å; L469-L480 HydrophobicContact CD2-CB 4.29Å; L469-M481 HydrophobicContact CD2-CB 3.91Å; L469-L494 HydrophobicContact CD2-CD1 4.16Å; L469-V528 HydrophobicContact CD1-CB 4.29Å; L469-V528 HydrophobicContact CD1-CG2 4.27Å; L469-V528 HydrophobicContact CG-CB 4.47Å; L469-V528 PolarHBondContact N-O 2.81Å; L469-V528 PolarHBondContact O-N 2.86Å; L469-L584 HydrophobicContact CD1-CD2 4.41Å; L469-L587 HydrophobicContact CB-CB 4.48Å; L469-L587 HydrophobicContact CB-CD1 4.06Å; L469-L587 HydrophobicContact CD2-CD1 3.92Å
470R98.4Very high96.5Very high41 Ų4113.4 Ų13.416%0.1556%0.064CC..EExtended strand (participates in β ladder)trans-110.6146166-56.1177.376.9-161.111.5109.9G429 W525 H526 T527 L584 Q585G429-R470 PolarHBondContact O-NE 3.39Å; G429-R470 PolarHBondContact O-NH2 2.87Å; R470-W525 HydrophobicContact CB-CE3 3.77Å; R470-W525 HydrophobicContact CB-CZ3 4.05Å; R470-H526 CarbonylContact C-O 3.49Å; R470-H526 WeakPolarHBondContact CA-O 3.24Å; R470-H526 WeakPolarHBondContact CB-O 3.18Å; R470-T527 HydrophobicContact CG-CG2 4.31Å; R470-L584 CarbonylContact O-C 3.54Å; R470-L584 WeakPolarHBondContact O-CA 3.15Å; R470-Q585 HydrophobicContact CB-CB 4.26Å; R470-Q585 PolarHBondContact N-O 3.42Å; R470-Q585 PolarHBondContact O-N 2.86Å
471F98.7Very high96.8Very high0 Ų011.7 Ų11.70%06%0.056CC..EExtended strand (participates in β ladder)trans-136.4156.3175.375.2-87.2000111.7L469 L480 L496 V501 L520 H526 V528 F580 H583 L584L469-F471 HydrophobicContact CD1-CB 4.27Å; L469-F471 HydrophobicContact CD1-CD1 4.24Å; F471-L480 HydrophobicContact CB-CD2 3.86Å; F471-L480 HydrophobicContact CD1-CD1 3.84Å; F471-L480 HydrophobicContact CD1-CD2 4.33Å; F471-L480 HydrophobicContact CD2-CD2 4.19Å; F471-L480 HydrophobicContact CE1-CD1 4.1Å; F471-L480 HydrophobicContact CG-CD1 4.22Å; F471-L480 HydrophobicContact CG-CD2 3.86Å; F471-L496 HydrophobicContact CD2-CD1 4.19Å; F471-L496 HydrophobicContact CE2-CD1 3.93Å; F471-L496 HydrophobicContact CE2-CD2 3.73Å; F471-L496 HydrophobicContact CE2-CG 4.26Å; F471-L496 HydrophobicContact CZ-CD2 3.76Å; F471-V501 HydrophobicContact CE1-CG2 3.66Å; F471-V501 HydrophobicContact CZ-CG2 3.83Å; F471-L520 HydrophobicContact CE2-CB 4.32Å; F471-L520 HydrophobicContact CZ-CB 3.95Å; F471-L520 HydrophobicContact CZ-CD1 4.22Å; F471-H526 HydrophobicContact CD1-CB 4.16Å; F471-H526 HydrophobicContact CE1-CB 3.6Å; F471-H526 HydrophobicContact CE2-CB 4.31Å; F471-H526 HydrophobicContact CZ-CB 3.68Å; F471-H526 AromaticContact CZ-CD2 4Å; F471-H526 PolarHBondContact N-O 3.12Å; F471-H526 PolarHBondContact O-N 2.92Å; F471-V528 HydrophobicContact CD1-CG2 3.74Å; F471-V528 HydrophobicContact CE1-CG2 3.53Å; F471-F580 HydrophobicContact CB-CZ 4.33Å; F471-H583 CarbonylContact C-O 3.2Å; F471-H583 VanDerWaalsContact CA-O 3.26Å; F471-H583 WeakPolarHBondContact CA-O 3.46Å; F471-L584 HydrophobicContact CB-CD2 3.59Å
472M98.1Very high97Very high11 Ų118.5 Ų8.55%0.0544%0.041CC..EExtended strand (participates in β ladder)trans-139.2125.8171.7177-174.3-76.700108.3N523 E524 W525 G582 H583 M614M472-N523 WeakPolarHBondContact CG-O 3.26Å; M472-E524 WeakPolarHBondContact CA-O 3.3Å; M472-W525 HydrophobicContact CB-CD2 4.14Å; M472-W525 HydrophobicContact CB-CE3 4.01Å; M472-W525 HydrophobicContact CB-CZ3 4.22Å; M472-W525 HydrophobicContact CE-CD2 3.97Å; M472-W525 HydrophobicContact CE-CG 3.72Å; M472-G582 CarbonylContact O-C 3.55Å; M472-G582 VanDerWaalsContact O-CA 3.26Å; M472-G582 WeakPolarHBondContact O-CA 3.48Å; M472-H583 HydrophobicContact CB-CB 4.43Å; M472-H583 PolarHBondContact N-O 2.79Å; M472-H583 PolarHBondContact O-N 3.26Å; M472-M614 HydrophobicContact CE-CE 4.06Å; M472-M614 HydrophobicContact SD-CE 3.47Å; M472-M614 WeakPolarHBondContact SD-CE 3.45Å
473S96.1Very high97Very high0 Ų08.5 Ų8.50%04%0.041CC..  trans-155.2152.9179.5-169.80000112.4R475 N521 N523 I581S473-R475 PolarHBondContact OG-N 2.73Å; S473-N521 CarbonylContact O-C 3.57Å; S473-N521 WeakPolarHBondContact O-CA 3.46Å; S473-N523 PolarHBondContact O-N 2.95Å; S473-I581 WeakPolarHBondContact CB-O 3.37Å; S473-I581 PolarHBondContact OG-O 3.35Å
474Q91.4Very high97.1Very high32 Ų328 Ų815%0.154%0.039CC..SBendtrans-93.1-12.9167-71.1177.8-10.500112.5N521 N523 F645 N705Q474-N521 PolarHBondContact O-ND2 2.94Å; Q474-N523 HydrophobicContact CG-CB 3.63Å; Q474-F645 HydrophobicContact CB-CD2 4.32Å; Q474-F645 HydrophobicContact CB-CE1 4.5Å; Q474-F645 HydrophobicContact CB-CE2 3.9Å; Q474-F645 HydrophobicContact CB-CZ 3.99Å; Q474-N705 PolarHBondContact NE2-ND2 2.97Å
475R93.6Very high96.9Very high1 Ų18.1 Ų8.10%0.0044%0.04CC..  trans-85.4140-178.6-68.6-172.963.3-136.1-8111.3S473 Y477 N521 S578 N579 I581 F645 D772S473-R475 PolarHBondContact OG-N 2.73Å; R475-Y477 WeakPolarHBondContact CB-O 3.43Å; R475-Y477 PolarHBondContact NH1-O 2.69Å; R475-Y477 PolarHBondContact NH2-O 2.84Å; R475-Y477 PolarHBondContact O-N 2.88Å; R475-N521 VanDerWaalsContact C-CB 3.49Å; R475-N521 WeakPolarHBondContact O-CB 3.49Å; R475-S578 PolarHBondContact NH2-OG 3.34Å; R475-N579 PolarHBondContact NH1-O 3.33Å; R475-I581 HydrophobicContact CG-CB 4.41Å; R475-F645 HydrophobicContact CG-CD1 3.94Å; R475-F645 HydrophobicContact CG-CE1 4.43Å; R475-D772 IonicContact CZ-OD2 3.77Å; R475-D772 VanDerWaalsContact NE-CG 3.31Å; R475-D772 IonicContact NE-OD2 2.68Å; R475-D772 PolarHBondContact NE-OD2 2.91Å; R475-D772 IonicContact NH2-OD1 3.46Å; R475-D772 IonicContact NH2-OD2 3.69Å; R475-D772 PolarHBondContact NH2-OD2 3.24Å; R475-D772 VanDerWaalsContact NH2-OD2 3.16Å
476A93.2Very high96.7Very high3 Ų312.4 Ų12.43%0.0256%0.058CC..SBendtrans-78.6-8175.200000113.1L496 G498 G499 H643A476-L496 CarbonylContact O-C 3.59Å; A476-G498 PolarHBondContact O-N 3.11Å; A476-G499 PolarHBondContact O-N 3.32Å; A476-H643 HydrophobicContact CB-CB 3.75Å
477Y95.4Very high96.4Very high32 Ų3215.7 Ų15.713%0.1257%0.073CC..EExtended strand (participates in β ladder)trans-137.4146-176.8-60.6-84.1000111.4R475 L496 D497 H643 G775R475-Y477 WeakPolarHBondContact CB-O 3.43Å; R475-Y477 PolarHBondContact NH1-O 2.69Å; R475-Y477 PolarHBondContact NH2-O 2.84Å; R475-Y477 PolarHBondContact O-N 2.88Å; Y477-L496 VanDerWaalsContact CA-O 3.31Å; Y477-L496 WeakPolarHBondContact CA-O 3.3Å; Y477-D497 WeakPolarHBondContact CE1-OD1 3.46Å; Y477-H643 HydrophobicContact CE2-CB 4.05Å; Y477-G775 VanDerWaalsContact CD2-CA 3.42Å
478G96.3Very high96.1Very high1 Ų116.7 Ų16.71%0.018%0.08CC..EExtended strand (participates in β ladder)trans158.8142178.500000113.9L480 E495 L496 S578G478-L480 PolarHBondContact O-N 3.02Å; G478-E495 CarbonylContact O-C 3.6Å; G478-E495 WeakPolarHBondContact O-CA 3.31Å; G478-L496 PolarHBondContact N-O 2.77Å; G478-L496 PolarHBondContact O-N 2.87Å; G478-S578 CarbonylContact C-O 3.52Å; G478-S578 WeakPolarHBondContact CA-O 3.44Å; G478-S578 WeakPolarHBondContact CA-OG 3.4Å; G478-S578 PolarHBondContact N-OG 3.45Å
479L97.9Very high95.8Very high2 Ų217.4 Ų17.41%0.019%0.086CC..EExtended strand (participates in β ladder)trans-71.2115.3174.6177.168000111.8A482 R493 M567 P577 S578 F580L479-A482 HydrophobicContact CD1-CB 3.95Å; L479-R493 HydrophobicContact CD1-CG 3.85Å; L479-M567 HydrophobicContact CD2-CB 3.85Å; L479-P577 HydrophobicContact CB-CB 4.26Å; L479-P577 HydrophobicContact CD1-CG 4.21Å; L479-S578 PolarHBondContact N-O 2.7Å; L479-F580 VanDerWaalsContact O-CB 3.26Å; L479-F580 WeakPolarHBondContact O-CB 3.42Å
480L98.6Very high95.7Very high0 Ų018.4 Ų18.40%09%0.091CC..EExtended strand (participates in β ladder)trans-81.9-52.6173.9-56.6178.9000110.6L469 F471 G478 L494 L496 V501 V528 T564 F580 L584L469-L480 HydrophobicContact CD1-CB 4.42Å; L469-L480 HydrophobicContact CD1-CD1 4.44Å; L469-L480 HydrophobicContact CD2-CB 4.29Å; F471-L480 HydrophobicContact CB-CD2 3.86Å; F471-L480 HydrophobicContact CD1-CD1 3.84Å; F471-L480 HydrophobicContact CD1-CD2 4.33Å; F471-L480 HydrophobicContact CD2-CD2 4.19Å; F471-L480 HydrophobicContact CE1-CD1 4.1Å; F471-L480 HydrophobicContact CG-CD1 4.22Å; F471-L480 HydrophobicContact CG-CD2 3.86Å; G478-L480 PolarHBondContact O-N 3.02Å; L480-L494 HydrophobicContact CB-CB 4.09Å; L480-L494 WeakPolarHBondContact CB-O 3.3Å; L480-L494 PolarHBondContact N-O 3.06Å; L480-L496 HydrophobicContact CD1-CG 4.47Å; L480-L496 HydrophobicContact CD2-CD1 4.37Å; L480-L496 HydrophobicContact CD2-CG 4.27Å; L480-V501 HydrophobicContact CD1-CG2 4.2Å; L480-V528 HydrophobicContact CD1-CG2 4.44Å; L480-T564 WeakPolarHBondContact O-CG2 3.3Å; L480-F580 HydrophobicContact CD2-CD2 3.93Å; L480-F580 HydrophobicContact CD2-CE2 3.53Å; L480-F580 HydrophobicContact CD2-CZ 4.1Å; L480-L584 HydrophobicContact CD2-CD2 4.1Å; L480-L584 VanDerWaalsContact O-CD1 3.31Å; L480-L584 WeakPolarHBondContact O-CD1 3.47Å
481M98.3Very high95.5Very high0 Ų016.6 Ų16.60%09%0.085CC..EExtended strand (participates in β ladder)trans-157147176.6-176.9-88.3-81.600110.8V467 L469 T483 L492 R493 L494 I562 E563 T564 L587 F589V467-M481 HydrophobicContact CB-CE 4.22Å; V467-M481 HydrophobicContact CG1-CE 3.22Å; V467-M481 HydrophobicContact CG2-CE 3.98Å; L469-M481 HydrophobicContact CD2-CB 3.91Å; M481-T483 HydrophobicContact SD-CG2 4.44Å; M481-L492 HydrophobicContact CE-CD2 4.18Å; M481-R493 CarbonylContact O-C 3.39Å; M481-R493 WeakPolarHBondContact O-CA 3.4Å; M481-L494 PolarHBondContact N-O 3.48Å; M481-L494 VanDerWaalsContact N-O 3.15Å; M481-L494 PolarHBondContact O-N 2.96Å; M481-I562 HydrophobicContact CG-CG2 3.83Å; M481-I562 HydrophobicContact SD-CG2 3.98Å; M481-E563 CarbonylContact C-O 3.54Å; M481-E563 VanDerWaalsContact CA-O 3.26Å; M481-E563 WeakPolarHBondContact CA-O 3.41Å; M481-T564 HydrophobicContact CB-CG2 4.24Å; M481-T564 HydrophobicContact CG-CG2 4.24Å; M481-L587 HydrophobicContact CG-CD1 4.21Å; M481-F589 HydrophobicContact CE-CD2 3.82Å; M481-F589 HydrophobicContact CE-CE2 4.09Å
482A98.1Very high95.5Very high0 Ų016.6 Ų16.60%09%0.085CC..EExtended strand (participates in β ladder)trans-139.7142.6166.400000111.4L479 T484 L492 R493 E563 M567L479-A482 HydrophobicContact CD1-CB 3.95Å; A482-T484 HydrophobicContact CB-CG2 4.35Å; A482-L492 WeakPolarHBondContact CA-O 3.13Å; A482-R493 HydrophobicContact CB-CB 4.24Å; A482-R493 HydrophobicContact CB-CG 4Å; A482-E563 PolarHBondContact N-O 3.36Å; A482-E563 PolarHBondContact O-N 3.47Å; A482-M567 HydrophobicContact CB-SD 4.43Å
483T98.2Very high95.5Very high0 Ų017.1 Ų17.10%09%0.086CC..EExtended strand (participates in β ladder)trans-81.5139.4155.670.70000109.3M481 T491 L492 L557 F559 N561 I562 F589M481-T483 HydrophobicContact SD-CG2 4.44Å; T483-T491 VanDerWaalsContact O-CB 3.29Å; T483-T491 WeakPolarHBondContact O-CB 3.42Å; T483-T491 PolarHBondContact O-OG1 3.34Å; T483-L492 HydrophobicContact CG2-CB 4.34Å; T483-L492 PolarHBondContact N-O 2.83Å; T483-L492 PolarHBondContact OG1-N 3.11Å; T483-L557 HydrophobicContact CG2-CD2 4.43Å; T483-F559 HydrophobicContact CG2-CD1 4.34Å; T483-F559 HydrophobicContact CG2-CD2 4.3Å; T483-F559 HydrophobicContact CG2-CG 4.15Å; T483-N561 CarbonylContact C-O 3.59Å; T483-N561 VanDerWaalsContact CA-O 3.32Å; T483-N561 WeakPolarHBondContact CA-O 3.47Å; T483-I562 HydrophobicContact CG2-CG1 4.45Å; T483-F589 HydrophobicContact CG2-CE2 3.69Å; T483-F589 HydrophobicContact CG2-CZ 4.01Å
484T96.8Very high95.6Very high0 Ų017.1 Ų17.10%09%0.086CC..EExtended strand (participates in β ladder)trans-132.4141.7179.661.10000111.4A482 H560 N561 E563 M567A482-T484 HydrophobicContact CB-CG2 4.35Å; T484-H560 PolarHBondContact O-N 3.47Å; T484-N561 PolarHBondContact N-O 2.9Å; T484-N561 PolarHBondContact O-N 2.91Å; T484-N561 WeakPolarHBondContact OG1-CB 3.13Å; T484-N561 PolarHBondContact OG1-ND2 3.21Å; T484-E563 WeakPolarHBondContact CB-OE1 3.31Å; T484-E563 HydrophobicContact CG2-CG 4.45Å; T484-E563 WeakPolarHBondContact CG2-OE1 3.31Å; T484-E563 PolarHBondContact OG1-OE1 2.83Å; T484-M567 HydrophobicContact CG2-CG 3.73Å; T484-M567 HydrophobicContact CG2-SD 4.16Å
485S94.6Very high95.9Very high5 Ų516.4 Ų16.44%0.0358%0.083CC..  trans-107.6146.7173.2-176.40000112.1E487 S488 E558 H560 E569S485-E487 VanDerWaalsContact C-N 3.28Å; S485-E487 PolarHBondContact OG-N 3.3Å; S485-S488 WeakPolarHBondContact CB-OG 3.5Å; S485-S488 PolarHBondContact OG-N 3.36Å; S485-E558 PolarHBondContact OG-OE1 2.92Å; S485-H560 PolarHBondContact OG-CE1 3.05Å; S485-H560 PolarHBondContact OG-ND1 2.6Å; S485-H560 VanDerWaalsContact OG-ND1 3.13Å; S485-E569 WeakPolarHBondContact O-CG 3.38Å
486K93.6Very high96.1Very high91 Ų9116.5 Ų16.540%0.3968%0.083SC..SBendtrans-82.3-6.4170.3-66.3177.7-178.2172.60112.8H560 F572K486-H560 HydrophobicContact CD-CB 4.32Å; K486-H560 HydrophobicContact CG-CB 4.1Å; K486-H560 PolarHBondContact N-ND1 3.18Å; K486-F572 VanDerWaalsContact O-CE2 3.31Å; K486-F572 WeakPolarHBondContact O-CE2 3.4Å
487E91.9Very high96.1Very high91 Ų9118.2 Ų18.243%0.4259%0.092SC..SBendtrans-123-17-173.4-56.4-167.1174.200113.3S485S485-E487 VanDerWaalsContact C-N 3.28Å; S485-E487 PolarHBondContact OG-N 3.3Å
488S92.4Very high95.9Very high25 Ų2517.6 Ų17.618%0.17510%0.095CC..SBendtrans-145.6172.5-17676.10000112.9S485 D490S485-S488 WeakPolarHBondContact CB-OG 3.5Å; S485-S488 PolarHBondContact OG-N 3.36Å; S488-D490 VanDerWaalsContact OG-CB 3.3Å; S488-D490 WeakPolarHBondContact OG-CB 3.48Å; S488-D490 PolarHBondContact OG-N 2.88Å
489A92.8Very high95.7Very high27 Ų2717.6 Ų17.622%0.22310%0.095CC..  trans-88.612.2171.800000112.5N506 F572A489-N506 PolarHBondContact O-ND2 2.91Å; A489-F572 HydrophobicContact CB-CB 3.96Å; A489-F572 VanDerWaalsContact CB-O 3.23Å; A489-F572 WeakPolarHBondContact CB-O 3Å
490D94.5Very high95.6Very high24 Ų2422 Ų2213%0.12811%0.112CC..  trans-68.8134.6-175.7-68.1-6.1000110.3S488 N506 L507 G508 L557S488-D490 VanDerWaalsContact OG-CB 3.3Å; S488-D490 WeakPolarHBondContact OG-CB 3.48Å; S488-D490 PolarHBondContact OG-N 2.88Å; D490-N506 CarbonylContact C-O 3.56Å; D490-N506 WeakPolarHBondContact CA-O 3.3Å; D490-L507 VanDerWaalsContact OD1-C 3.24Å; D490-L507 VanDerWaalsContact OD1-CA 3.32Å; D490-L507 WeakPolarHBondContact OD1-CA 3.45Å; D490-G508 PolarHBondContact OD1-N 2.84Å; D490-G508 VanDerWaalsContact OD1-N 3.14Å; D490-L557 HydrophobicContact CB-CD1 4.19Å
491T96.1Very high95.6Very high3 Ų322 Ų222%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-158.3141.6-176.9-170.50000111.6T483 R493 V505 N506T483-T491 VanDerWaalsContact O-CB 3.29Å; T483-T491 WeakPolarHBondContact O-CB 3.42Å; T483-T491 PolarHBondContact O-OG1 3.34Å; T491-R493 HydrophobicContact CG2-CB 4.49Å; T491-V505 WeakPolarHBondContact O-CA 3.32Å; T491-N506 HydrophobicContact CG2-CB 4.14Å; T491-N506 PolarHBondContact N-O 3.48Å; T491-N506 PolarHBondContact O-N 3.41Å
492L97.7Very high95.6Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-108.3118.3155.9-178.6159.6000106.5E465 V467 M481 A482 T483 L503 T504 V505 L557E465-L492 HydrophobicContact CB-CD1 4.32Å; E465-L492 HydrophobicContact CG-CD1 4.4Å; V467-L492 HydrophobicContact CG2-CD2 4.31Å; M481-L492 HydrophobicContact CE-CD2 4.18Å; A482-L492 WeakPolarHBondContact CA-O 3.13Å; T483-L492 HydrophobicContact CG2-CB 4.34Å; T483-L492 PolarHBondContact N-O 2.83Å; T483-L492 PolarHBondContact OG1-N 3.11Å; L492-L503 HydrophobicContact CD2-CD1 4.21Å; L492-L503 HydrophobicContact CG-CD1 4.21Å; L492-T504 WeakPolarHBondContact CA-O 3.27Å; L492-V505 HydrophobicContact CG-CG2 4.3Å; L492-L557 HydrophobicContact CB-CD2 3.71Å; L492-L557 HydrophobicContact CD1-CD2 4.42Å
493R97.1Very high95.6Very high22 Ų2223.8 Ų23.88%0.08312%0.12CC..EExtended strand (participates in β ladder)trans-133.7135.4-169-177173.282.1-154.93.7112.5L479 M481 A482 T491 E495 L503 T504 V575L479-R493 HydrophobicContact CD1-CG 3.85Å; M481-R493 CarbonylContact O-C 3.39Å; M481-R493 WeakPolarHBondContact O-CA 3.4Å; A482-R493 HydrophobicContact CB-CB 4.24Å; A482-R493 HydrophobicContact CB-CG 4Å; T491-R493 HydrophobicContact CG2-CB 4.49Å; R493-E495 IonicContact CZ-OE1 2.83Å; R493-E495 IonicContact NE-OE1 3.17Å; R493-E495 PolarHBondContact NE-OE1 3.47Å; R493-E495 IonicContact NE-OE2 3.32Å; R493-E495 IonicContact NH2-OE1 3.33Å; R493-E495 PolarHBondContact NH2-OE1 2.93Å; R493-E495 IonicContact NH2-OE2 3.39Å; R493-L503 CarbonylContact O-C 3.47Å; R493-L503 WeakPolarHBondContact O-CA 3.39Å; R493-T504 PolarHBondContact N-O 3.45Å; R493-T504 PolarHBondContact O-N 3.48Å; R493-V575 PolarHBondContact NH1-O 3.05Å
494L98.5Very high95.6Very high1 Ų124 Ų241%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-112.9125.9170.7-71.8171.6000109.6V467 L469 L480 M481 V501 K502 L503 V528 V530 L539V467-L494 HydrophobicContact CG1-CD1 4.18Å; L469-L494 HydrophobicContact CD2-CD1 4.16Å; L480-L494 HydrophobicContact CB-CB 4.09Å; L480-L494 WeakPolarHBondContact CB-O 3.3Å; L480-L494 PolarHBondContact N-O 3.06Å; M481-L494 PolarHBondContact N-O 3.48Å; M481-L494 VanDerWaalsContact N-O 3.15Å; M481-L494 PolarHBondContact O-N 2.96Å; L494-V501 HydrophobicContact CD2-CG1 3.98Å; L494-K502 WeakPolarHBondContact CA-O 3.42Å; L494-L503 HydrophobicContact CD2-CB 4.15Å; L494-L503 HydrophobicContact CD2-CD1 4.1Å; L494-V528 HydrophobicContact CD1-CG1 3.88Å; L494-V528 HydrophobicContact CD2-CG1 3.96Å; L494-V530 HydrophobicContact CD1-CG2 3.96Å; L494-V530 HydrophobicContact CD2-CG2 3.71Å; L494-V530 HydrophobicContact CG-CG2 4.2Å; L494-L539 HydrophobicContact CD2-CD1 4.04Å
495E98Very high95.6Very high16 Ų1624 Ų248%0.07512%0.121CC..EExtended strand (participates in β ladder)trans-141.8151.4179.562.6-169.7145.900111.3G478 R493 V501 K502 P577G478-E495 CarbonylContact O-C 3.6Å; G478-E495 WeakPolarHBondContact O-CA 3.31Å; R493-E495 IonicContact CZ-OE1 2.83Å; R493-E495 IonicContact NE-OE1 3.17Å; R493-E495 PolarHBondContact NE-OE1 3.47Å; R493-E495 IonicContact NE-OE2 3.32Å; R493-E495 IonicContact NH2-OE1 3.33Å; R493-E495 PolarHBondContact NH2-OE1 2.93Å; R493-E495 IonicContact NH2-OE2 3.39Å; E495-V501 WeakPolarHBondContact O-CA 3.38Å; E495-K502 HydrophobicContact CG-CB 3.93Å; E495-K502 HydrophobicContact CG-CD 4.03Å; E495-K502 HydrophobicContact CG-CG 4.32Å; E495-K502 PolarHBondContact N-O 3.39Å; E495-K502 PolarHBondContact O-N 3.01Å; E495-K502 WeakPolarHBondContact OE1-CD 3.33Å; E495-K502 IonicContact OE1-NZ 3.2Å; E495-P577 HydrophobicContact CB-CB 4.46Å; E495-P577 WeakPolarHBondContact OE2-CB 3.33Å; E495-P577 WeakPolarHBondContact OE2-CG 3.41Å
496L97.9Very high95.5Very high3 Ų325.1 Ų25.12%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-77.6130.1162.6-71.6171.2000108.8F471 A476 Y477 G478 L480 R500 V501 L520 F580F471-L496 HydrophobicContact CD2-CD1 4.19Å; F471-L496 HydrophobicContact CE2-CD1 3.93Å; F471-L496 HydrophobicContact CE2-CD2 3.73Å; F471-L496 HydrophobicContact CE2-CG 4.26Å; F471-L496 HydrophobicContact CZ-CD2 3.76Å; A476-L496 CarbonylContact O-C 3.59Å; Y477-L496 VanDerWaalsContact CA-O 3.31Å; Y477-L496 WeakPolarHBondContact CA-O 3.3Å; G478-L496 PolarHBondContact N-O 2.77Å; G478-L496 PolarHBondContact O-N 2.87Å; L480-L496 HydrophobicContact CD1-CG 4.47Å; L480-L496 HydrophobicContact CD2-CD1 4.37Å; L480-L496 HydrophobicContact CD2-CG 4.27Å; L496-R500 CarbonylContact C-O 3.57Å; L496-R500 WeakPolarHBondContact CA-O 3.42Å; L496-V501 HydrophobicContact CD2-CG2 4.05Å; L496-L520 HydrophobicContact CD2-CB 4.47Å; L496-F580 HydrophobicContact CD1-CE2 4.37Å
497D94.4Very high95.5Very high39 Ų3921.3 Ų21.321%0.20911%0.111CC..EExtended strand (participates in β ladder)trans-139.498.3179.2-172.2-4.5000109.9Y477 R500 K502 F515Y477-D497 WeakPolarHBondContact CE1-OD1 3.46Å; D497-R500 PolarHBondContact N-O 2.81Å; D497-R500 PolarHBondContact O-N 2.77Å; D497-K502 HydrophobicContact CB-CB 4.09Å; D497-K502 HydrophobicContact CB-CD 4.05Å; D497-K502 WeakPolarHBondContact OD2-CD 3.24Å; D497-K502 IonicContact OD2-NZ 2.72Å; D497-K502 PolarHBondContact OD2-NZ 3.11Å; D497-F515 HydrophobicContact CB-CE1 4.1Å
498G90.9Very high95.1Very high19 Ų1919.9 Ų19.920%0.19612%0.12CC..THydrogen-bonded Turntrans64.839.2-177.800000112.9A476 R500A476-G498 PolarHBondContact O-N 3.11Å; G498-R500 VanDerWaalsContact C-N 3.29Å; G498-R500 PolarHBondContact O-N 3.06Å
499G91.4Very high94.6Very high1 Ų125.4 Ų25.41%0.0114%0.141CC..THydrogen-bonded Turntrans7416.7179.500000114.4A476 Q518 K519 L520A476-G499 PolarHBondContact O-N 3.32Å; G499-Q518 CarbonylContact O-C 3.53Å; G499-K519 PolarHBondContact O-N 2.95Å; G499-L520 PolarHBondContact O-N 3.03Å
500R96.3Very high94.1Very high95 Ų9525.9 Ų25.936%0.35815%0.148SC..EExtended strand (participates in β ladder)trans-120.2154172.3-53.8176.9-70169.31.7108.7L496 D497 G498 G517 Q518L496-R500 CarbonylContact C-O 3.57Å; L496-R500 WeakPolarHBondContact CA-O 3.42Å; D497-R500 PolarHBondContact N-O 2.81Å; D497-R500 PolarHBondContact O-N 2.77Å; G498-R500 VanDerWaalsContact C-N 3.29Å; G498-R500 PolarHBondContact O-N 3.06Å; R500-G517 VanDerWaalsContact CG-O 3.28Å; R500-G517 WeakPolarHBondContact CG-O 3.47Å; R500-Q518 HydrophobicContact CG-CG 4.45Å
501V98.5Very high94Very high0 Ų028.8 Ų28.80%017%0.169CC..EExtended strand (participates in β ladder)trans-85132.5169.5172.90000108.5F471 L480 L494 E495 L496 F515 A516 L520 V528 L539 V541F471-V501 HydrophobicContact CE1-CG2 3.66Å; F471-V501 HydrophobicContact CZ-CG2 3.83Å; L480-V501 HydrophobicContact CD1-CG2 4.2Å; L494-V501 HydrophobicContact CD2-CG1 3.98Å; E495-V501 WeakPolarHBondContact O-CA 3.38Å; L496-V501 HydrophobicContact CD2-CG2 4.05Å; V501-F515 CarbonylContact O-C 3.52Å; V501-F515 WeakPolarHBondContact O-CA 3.27Å; V501-A516 PolarHBondContact N-O 2.92Å; V501-A516 PolarHBondContact O-N 2.97Å; V501-L520 HydrophobicContact CB-CD1 4.35Å; V501-L520 HydrophobicContact CG2-CD1 3.65Å; V501-V528 HydrophobicContact CG1-CG1 4.01Å; V501-V528 HydrophobicContact CG1-CG2 4.21Å; V501-V528 HydrophobicContact CG2-CG2 3.9Å; V501-L539 HydrophobicContact CG1-CD1 4.19Å; V501-L539 HydrophobicContact CG1-CD2 4.46Å; V501-V541 HydrophobicContact CB-CG2 3.75Å; V501-V541 HydrophobicContact CG1-CG2 4.22Å; V501-V541 HydrophobicContact CG2-CG1 4.49Å; V501-V541 HydrophobicContact CG2-CG2 4Å
502K98.3Very high93.9Very high37 Ų3730.9 Ų30.916%0.16118%0.178CC..EExtended strand (participates in β ladder)trans-115.4123.6175.8178.1-175.5179.3-176.90109.7L494 E495 D497 L514 F515L494-K502 WeakPolarHBondContact CA-O 3.42Å; E495-K502 HydrophobicContact CG-CB 3.93Å; E495-K502 HydrophobicContact CG-CD 4.03Å; E495-K502 HydrophobicContact CG-CG 4.32Å; E495-K502 PolarHBondContact N-O 3.39Å; E495-K502 PolarHBondContact O-N 3.01Å; E495-K502 WeakPolarHBondContact OE1-CD 3.33Å; E495-K502 IonicContact OE1-NZ 3.2Å; D497-K502 HydrophobicContact CB-CB 4.09Å; D497-K502 HydrophobicContact CB-CD 4.05Å; D497-K502 WeakPolarHBondContact OD2-CD 3.24Å; D497-K502 IonicContact OD2-NZ 2.72Å; D497-K502 PolarHBondContact OD2-NZ 3.11Å; K502-L514 CarbonylContact C-O 3.52Å; K502-L514 VanDerWaalsContact CA-O 3.31Å; K502-L514 WeakPolarHBondContact CA-O 3.45Å; K502-F515 HydrophobicContact CB-CD1 3.85Å; K502-F515 HydrophobicContact CB-CE1 3.69Å; K502-F515 HydrophobicContact CB-CZ 4.31Å; K502-F515 HydrophobicContact CD-CE1 3.6Å; K502-F515 HydrophobicContact CD-CE2 4.44Å; K502-F515 HydrophobicContact CD-CZ 3.56Å; K502-F515 HydrophobicContact CG-CD1 4.12Å; K502-F515 HydrophobicContact CG-CE1 3.66Å; K502-F515 HydrophobicContact CG-CE2 4.28Å; K502-F515 HydrophobicContact CG-CZ 3.75Å
503L98.5Very high93.8Very high0 Ų033.6 Ų33.60%020%0.195CC..EExtended strand (participates in β ladder)trans-89.6131164.5173.262.6000108.4L492 R493 L494 V505 T513 L514 V530 L537 L539L492-L503 HydrophobicContact CD2-CD1 4.21Å; L492-L503 HydrophobicContact CG-CD1 4.21Å; R493-L503 CarbonylContact O-C 3.47Å; R493-L503 WeakPolarHBondContact O-CA 3.39Å; L494-L503 HydrophobicContact CD2-CB 4.15Å; L494-L503 HydrophobicContact CD2-CD1 4.1Å; L503-V505 HydrophobicContact CD1-CG2 4.18Å; L503-V505 HydrophobicContact CG-CG2 4.32Å; L503-T513 CarbonylContact O-C 3.53Å; L503-T513 WeakPolarHBondContact O-CA 3.46Å; L503-L514 HydrophobicContact CB-CB 4.37Å; L503-L514 HydrophobicContact CD2-CD1 4.49Å; L503-L514 PolarHBondContact N-O 2.7Å; L503-L514 PolarHBondContact O-N 3.18Å; L503-V530 HydrophobicContact CD1-CG1 4.11Å; L503-V530 HydrophobicContact CD1-CG2 4.15Å; L503-V530 HydrophobicContact CD2-CG1 3.77Å; L503-V530 HydrophobicContact CD2-CG2 4.35Å; L503-L537 HydrophobicContact CD2-CB 4.5Å; L503-L539 HydrophobicContact CB-CD1 4.36Å; L503-L539 HydrophobicContact CB-CD2 3.96Å; L503-L539 HydrophobicContact CD2-CB 4.36Å
504T97.1Very high93.8Very high4 Ų433.7 Ų33.73%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-124.3125.6170.4-57.30000109.4L492 R493 P511 E512 T513L492-T504 WeakPolarHBondContact CA-O 3.27Å; R493-T504 PolarHBondContact N-O 3.45Å; R493-T504 PolarHBondContact O-N 3.48Å; T504-P511 HydrophobicContact CG2-CB 3.63Å; T504-E512 CarbonylContact C-O 3.58Å; T504-E512 WeakPolarHBondContact CA-O 3.38Å; T504-T513 HydrophobicContact CG2-CG2 4.09Å
505V96.8Very high93.8Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-118.2116.8170.4-178.40000108.1T491 L492 L503 L507 E512 L537 M550T491-V505 WeakPolarHBondContact O-CA 3.32Å; L492-V505 HydrophobicContact CG-CG2 4.3Å; L503-V505 HydrophobicContact CD1-CG2 4.18Å; L503-V505 HydrophobicContact CG-CG2 4.32Å; V505-L507 HydrophobicContact CG1-CD2 4.23Å; V505-L507 HydrophobicContact CG1-CG 4.18Å; V505-E512 PolarHBondContact N-O 3Å; V505-E512 PolarHBondContact O-N 2.9Å; V505-L537 HydrophobicContact CG2-CD1 4.3Å; V505-L537 HydrophobicContact CG2-CD2 3.84Å; V505-M550 HydrophobicContact CG1-CE 4.07Å; V505-M550 HydrophobicContact CG1-SD 4.11Å
506N93.6Very high93.8Very high30 Ų3036.1 Ų36.116%0.1621%0.208CC..EExtended strand (participates in β ladder)trans-122.7124.7176.5-177.121.5000108.9A489 D490 T491 G508 G510 P511A489-N506 PolarHBondContact O-ND2 2.91Å; D490-N506 CarbonylContact C-O 3.56Å; D490-N506 WeakPolarHBondContact CA-O 3.3Å; T491-N506 HydrophobicContact CG2-CB 4.14Å; T491-N506 PolarHBondContact N-O 3.48Å; T491-N506 PolarHBondContact O-N 3.41Å; N506-G508 PolarHBondContact OD1-N 3.04Å; N506-G510 VanDerWaalsContact OD1-C 3.28Å; N506-G510 PolarHBondContact OD1-N 2.77Å; N506-G510 PolarHBondContact OD1-O 2.8Å; N506-P511 HydrophobicContact CB-CB 4.48Å
507L92.8Very high93.7Very high11 Ų1136.9 Ų36.96%0.05822%0.216CC..SBendtrans-123.643.3179.7-53.7-177.3000110.6D490 V505 K509 M550 H554 R556 L557D490-L507 VanDerWaalsContact OD1-C 3.24Å; D490-L507 VanDerWaalsContact OD1-CA 3.32Å; D490-L507 WeakPolarHBondContact OD1-CA 3.45Å; V505-L507 HydrophobicContact CG1-CD2 4.23Å; V505-L507 HydrophobicContact CG1-CG 4.18Å; L507-K509 VanDerWaalsContact C-N 3.29Å; L507-K509 PolarHBondContact O-N 2.87Å; L507-M550 HydrophobicContact CD1-CE 3.62Å; L507-M550 HydrophobicContact CG-CE 4.07Å; L507-H554 HydrophobicContact CB-CB 4.43Å; L507-H554 HydrophobicContact CD1-CB 4.5Å; L507-H554 WeakPolarHBondContact CD1-O 3.22Å; L507-R556 WeakPolarHBondContact CD2-O 3.37Å; L507-L557 HydrophobicContact CD2-CB 3.91Å; L507-L557 HydrophobicContact CD2-CD1 3.74Å; L507-L557 HydrophobicContact CD2-CG 4.46Å
508G83.6Confident93.6Very high60 Ų6042.1 Ų42.162%0.61924%0.24SC*.SBendtrans77.3-5.7-179.800000117D490 N506D490-G508 PolarHBondContact OD1-N 2.84Å; D490-G508 VanDerWaalsContact OD1-N 3.14Å; N506-G508 PolarHBondContact OD1-N 3.04Å
509K81.4Confident93.6Very high141 Ų14148.3 Ų48.361%0.61326%0.261SS*.SBendtrans-107.111.7179.2-66.5-165.4174.4-168.10114.7L507 H554L507-K509 VanDerWaalsContact C-N 3.29Å; L507-K509 PolarHBondContact O-N 2.87Å; K509-H554 WeakPolarHBondContact CE-CE1 3.27Å; K509-H554 PolarHBondContact NZ-CE1 2.96Å
510G83.4Confident93.8Very high37 Ų3748.6 Ų48.638%0.38126%0.262SS..  trans105157.3-174.300000111.8N506N506-G510 VanDerWaalsContact OD1-C 3.28Å; N506-G510 PolarHBondContact OD1-N 2.77Å; N506-G510 PolarHBondContact OD1-O 2.8Å
511P91.1Very high93.7Very high85 Ų8545.2 Ų45.255%0.55225%0.252SS*.EExtended strand (participates in β ladder)trans-77.7127.4-175.730.3-33.4000111.9T504 N506 T513T504-P511 HydrophobicContact CG2-CB 3.63Å; N506-P511 HydrophobicContact CB-CB 4.48Å; P511-T513 HydrophobicContact CB-CG2 4.41Å
512E94.5Very high93.4Very high47 Ų4748 Ų4822%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-91.1132.8163.3-65.5-72.9-171.100108.4T504 V505 L537 M550 T551T504-E512 CarbonylContact C-O 3.58Å; T504-E512 WeakPolarHBondContact CA-O 3.38Å; V505-E512 PolarHBondContact N-O 3Å; V505-E512 PolarHBondContact O-N 2.9Å; E512-L537 HydrophobicContact CB-CD1 4.43Å; E512-M550 HydrophobicContact CB-CG 4.31Å; E512-M550 HydrophobicContact CG-CB 4.15Å; E512-M550 HydrophobicContact CG-CE 4.4Å; E512-M550 HydrophobicContact CG-CG 4.04Å; E512-T551 WeakPolarHBondContact OE1-CB 3.36Å; E512-T551 PolarHBondContact OE1-N 2.56Å; E512-T551 PolarHBondContact OE1-OG1 2.95Å
513T95.8Very high93.2Very high58 Ų5849 Ų4936%0.35627%0.273SS..EExtended strand (participates in β ladder)trans-131.8142.2-173.2640000113.5L503 T504 P511L503-T513 CarbonylContact O-C 3.53Å; L503-T513 WeakPolarHBondContact O-CA 3.46Å; T504-T513 HydrophobicContact CG2-CG2 4.09Å; P511-T513 HydrophobicContact CB-CG2 4.41Å
514L97.7Very high93.1Very high23 Ų2354.8 Ų54.812%0.1230%0.3CS..EExtended strand (participates in β ladder)trans-127.7148.3169.4-66.6-179.4000109.8K502 L503 L537 L539 V546K502-L514 CarbonylContact C-O 3.52Å; K502-L514 VanDerWaalsContact CA-O 3.31Å; K502-L514 WeakPolarHBondContact CA-O 3.45Å; L503-L514 HydrophobicContact CB-CB 4.37Å; L503-L514 HydrophobicContact CD2-CD1 4.49Å; L503-L514 PolarHBondContact N-O 2.7Å; L503-L514 PolarHBondContact O-N 3.18Å; L514-L537 HydrophobicContact CD1-CB 3.67Å; L514-L539 HydrophobicContact CB-CB 4.4Å; L514-L539 HydrophobicContact CB-CD2 4.23Å; L514-L539 HydrophobicContact CD1-CB 4.44Å; L514-V546 HydrophobicContact CD2-CG1 4.28Å
515F97.9Very high93.1Very high65 Ų6557.4 Ų57.429%0.28531%0.31SS..EExtended strand (participates in β ladder)trans-124.6138.2177.7-68.5-96.1000110.2D497 V501 K502D497-F515 HydrophobicContact CB-CE1 4.1Å; V501-F515 CarbonylContact O-C 3.52Å; V501-F515 WeakPolarHBondContact O-CA 3.27Å; K502-F515 HydrophobicContact CB-CD1 3.85Å; K502-F515 HydrophobicContact CB-CE1 3.69Å; K502-F515 HydrophobicContact CB-CZ 4.31Å; K502-F515 HydrophobicContact CD-CE1 3.6Å; K502-F515 HydrophobicContact CD-CE2 4.44Å; K502-F515 HydrophobicContact CD-CZ 3.56Å; K502-F515 HydrophobicContact CG-CD1 4.12Å; K502-F515 HydrophobicContact CG-CE1 3.66Å; K502-F515 HydrophobicContact CG-CE2 4.28Å; K502-F515 HydrophobicContact CG-CZ 3.75Å
516A98Very high93.2Very high4 Ų458.1 Ų58.13%0.03331%0.313CS..EExtended strand (participates in β ladder)trans-143.2152.5175.900000112V501 L539 V541 V546V501-A516 PolarHBondContact N-O 2.92Å; V501-A516 PolarHBondContact O-N 2.97Å; A516-L539 HydrophobicContact CB-CD2 3.66Å; A516-L539 HydrophobicContact CB-CG 3.82Å; A516-V541 HydrophobicContact CB-CB 4.17Å; A516-V541 HydrophobicContact CB-CG2 3.59Å; A516-V546 HydrophobicContact CB-CG2 4.14Å
517G95.4Very high93.4Very high18 Ų1857.4 Ų57.419%0.18631%0.31CS..  trans70.3175.7-17600000114.2R500R500-G517 VanDerWaalsContact CG-O 3.28Å; R500-G517 WeakPolarHBondContact CG-O 3.47Å
518Q92.4Very high93.7Very high150 Ų15057 Ų5770%0.70131%0.308SS*.SBendtrans-153.8148.6175.8-65-170.33.900110G499 R500 L520G499-Q518 CarbonylContact O-C 3.53Å; R500-Q518 HydrophobicContact CG-CG 4.45Å; Q518-L520 PolarHBondContact O-N 2.79Å
519K91.3Very high94.4Very high148 Ų14857.4 Ų57.464%0.64329%0.293SS*.  trans54.334.9177.7-57.5-179.7179.8179.70113.5G499 N521G499-K519 PolarHBondContact O-N 2.95Å; K519-N521 PolarHBondContact O-N 2.82Å; K519-N521 VanDerWaalsContact O-N 3.13Å
520L96.1Very high95.2Very high7 Ų750.7 Ų50.74%0.03726%0.264CS..  trans-76.66.9-176.4-55.2170.9000114F471 L496 G499 V501 Q518 D522 H526 V541F471-L520 HydrophobicContact CE2-CB 4.32Å; F471-L520 HydrophobicContact CZ-CB 3.95Å; F471-L520 HydrophobicContact CZ-CD1 4.22Å; L496-L520 HydrophobicContact CD2-CB 4.47Å; G499-L520 PolarHBondContact O-N 3.03Å; V501-L520 HydrophobicContact CB-CD1 4.35Å; V501-L520 HydrophobicContact CG2-CD1 3.65Å; Q518-L520 PolarHBondContact O-N 2.79Å; L520-D522 VanDerWaalsContact C-N 3.3Å; L520-H526 PolarHBondContact O-CD2 3.38Å; L520-H526 PolarHBondContact O-NE2 3.27Å; L520-V541 HydrophobicContact CD1-CG1 3.82Å; L520-V541 HydrophobicContact CD2-CG1 4.03Å
521N93.7Very high95.9Very high25 Ų2551.1 Ų51.113%0.13426%0.258CS..  trans-100.737.7177.867.3-64.1000110.7S473 Q474 R475 K519 N523S473-N521 CarbonylContact O-C 3.57Å; S473-N521 WeakPolarHBondContact O-CA 3.46Å; Q474-N521 PolarHBondContact O-ND2 2.94Å; R475-N521 VanDerWaalsContact C-CB 3.49Å; R475-N521 WeakPolarHBondContact O-CB 3.49Å; K519-N521 PolarHBondContact O-N 2.82Å; K519-N521 VanDerWaalsContact O-N 3.13Å; N521-N523 VanDerWaalsContact C-N 3.35Å
522D93Very high96.2Very high59 Ų5947 Ų4732%0.31623%0.232SC..SBendtrans-87.3-7-176.459.17.1000113.4L520 E524 H526 K719L520-D522 VanDerWaalsContact C-N 3.3Å; D522-E524 WeakPolarHBondContact OD1-CB 3.26Å; D522-E524 PolarHBondContact OD1-N 2.87Å; D522-H526 IonicContact OD1-CD2 3.67Å; D522-H526 IonicContact OD1-NE2 3.09Å; D522-H526 PolarHBondContact OD1-NE2 3.11Å; D522-H526 VanDerWaalsContact OD1-NE2 3.09Å; D522-H526 IonicContact OD2-CE1 3.88Å; D522-H526 IonicContact OD2-NE2 2.93Å; D522-H526 PolarHBondContact OD2-NE2 3.12Å; D522-K719 PolarHBondContact O-NZ 2.76Å
523N92.9Very high96.3Very high57 Ų5747 Ų4731%0.30523%0.23SC..SBendtrans73.124.9-173.2-155.156.8000115M472 S473 Q474 N521M472-N523 WeakPolarHBondContact CG-O 3.26Å; S473-N523 PolarHBondContact O-N 2.95Å; Q474-N523 HydrophobicContact CG-CB 3.63Å; N521-N523 VanDerWaalsContact C-N 3.35Å
524E96.3Very high96.2Very high121 Ų12144.4 Ų44.457%0.56522%0.215SC*.SBendtrans-102.6167.9169.3-63.8-61.6146.300111.2M472 D522M472-E524 WeakPolarHBondContact CA-O 3.3Å; D522-E524 WeakPolarHBondContact OD1-CB 3.26Å; D522-E524 PolarHBondContact OD1-N 2.87Å
525W97.5Very high96.1Very high60 Ų6047 Ų4723%0.22723%0.225CC..  trans-78.6121.3175.3-78.3111.3000111.3V443 R470 M472 H583 Q585V443-W525 HydrophobicContact CG1-CH2 4.14Å; V443-W525 HydrophobicContact CG1-CZ2 4.35Å; V443-W525 HydrophobicContact CG2-CH2 4.35Å; V443-W525 HydrophobicContact CG2-CZ2 4.25Å; R470-W525 HydrophobicContact CB-CE3 3.77Å; R470-W525 HydrophobicContact CB-CZ3 4.05Å; M472-W525 HydrophobicContact CB-CD2 4.14Å; M472-W525 HydrophobicContact CB-CE3 4.01Å; M472-W525 HydrophobicContact CB-CZ3 4.22Å; M472-W525 HydrophobicContact CE-CD2 3.97Å; M472-W525 HydrophobicContact CE-CG 3.72Å; W525-H583 HydrophobicContact CH2-CB 3.72Å; W525-H583 HydrophobicContact CZ2-CB 4.29Å; W525-H583 HydrophobicContact CZ3-CB 4.4Å; W525-Q585 HydrophobicContact CH2-CB 3.58Å; W525-Q585 HydrophobicContact CZ2-CB 4.4Å; W525-Q585 HydrophobicContact CZ3-CB 3.65Å
526H98.4Very high96.1Very high14 Ų1446.8 Ų46.87%0.06523%0.232CC..EExtended strand (participates in β ladder)trans-111.5149.1170-64.2-69.6000111.2R470 F471 L520 D522 D542R470-H526 CarbonylContact C-O 3.49Å; R470-H526 WeakPolarHBondContact CA-O 3.24Å; R470-H526 WeakPolarHBondContact CB-O 3.18Å; F471-H526 HydrophobicContact CD1-CB 4.16Å; F471-H526 HydrophobicContact CE1-CB 3.6Å; F471-H526 HydrophobicContact CE2-CB 4.31Å; F471-H526 HydrophobicContact CZ-CB 3.68Å; F471-H526 AromaticContact CZ-CD2 4Å; F471-H526 PolarHBondContact N-O 3.12Å; F471-H526 PolarHBondContact O-N 2.92Å; L520-H526 PolarHBondContact O-CD2 3.38Å; L520-H526 PolarHBondContact O-NE2 3.27Å; D522-H526 IonicContact OD1-CD2 3.67Å; D522-H526 IonicContact OD1-NE2 3.09Å; D522-H526 PolarHBondContact OD1-NE2 3.11Å; D522-H526 VanDerWaalsContact OD1-NE2 3.09Å; D522-H526 IonicContact OD2-CE1 3.88Å; D522-H526 IonicContact OD2-NE2 2.93Å; D522-H526 PolarHBondContact OD2-NE2 3.12Å; H526-D542 WeakPolarHBondContact CA-OD1 3.42Å; H526-D542 IonicContact CE1-OD2 2.68Å; H526-D542 IonicContact CG-OD2 2.87Å; H526-D542 IonicContact ND1-OD1 3.86Å; H526-D542 IonicContact ND1-OD2 3.78Å; H526-D542 PolarHBondContact ND1-OD2 2.84Å
527T98.3Very high96.1Very high16 Ų1646.8 Ų46.810%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-110.6125.6178.2-53.10000110.5G429 R470 K529 V541 D542G429-T527 VanDerWaalsContact CA-CG2 3.46Å; G429-T527 WeakPolarHBondContact CA-OG1 3.33Å; R470-T527 HydrophobicContact CG-CG2 4.31Å; T527-K529 HydrophobicContact CG2-CG 4.36Å; T527-V541 CarbonylContact O-C 3.53Å; T527-V541 VanDerWaalsContact O-CA 3.31Å; T527-V541 WeakPolarHBondContact O-CA 3.48Å; T527-D542 PolarHBondContact N-OD1 2.97Å; T527-D542 PolarHBondContact O-N 2.78Å
528V98.5Very high96.2Very high1 Ų148.6 Ų48.61%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-108.3132.9174.6-173.60000109.2A468 L469 F471 L480 L494 V501 L539 S540 V541A468-V528 VanDerWaalsContact CA-O 3.27Å; A468-V528 WeakPolarHBondContact CA-O 3.38Å; L469-V528 HydrophobicContact CD1-CB 4.29Å; L469-V528 HydrophobicContact CD1-CG2 4.27Å; L469-V528 HydrophobicContact CG-CB 4.47Å; L469-V528 PolarHBondContact N-O 2.81Å; L469-V528 PolarHBondContact O-N 2.86Å; F471-V528 HydrophobicContact CD1-CG2 3.74Å; F471-V528 HydrophobicContact CE1-CG2 3.53Å; L480-V528 HydrophobicContact CD1-CG2 4.44Å; L494-V528 HydrophobicContact CD1-CG1 3.88Å; L494-V528 HydrophobicContact CD2-CG1 3.96Å; V501-V528 HydrophobicContact CG1-CG1 4.01Å; V501-V528 HydrophobicContact CG1-CG2 4.21Å; V501-V528 HydrophobicContact CG2-CG2 3.9Å; V528-L539 HydrophobicContact CG1-CD1 3.79Å; V528-S540 CarbonylContact C-O 3.6Å; V528-S540 WeakPolarHBondContact CA-O 3.43Å; V528-V541 HydrophobicContact CG2-CG2 4.43Å
529K98.3Very high96.5Very high69 Ų6941.5 Ų41.530%0.320%0.202SC..EExtended strand (participates in β ladder)trans-128.3132.9171-53.8-177.6-168-174.70109.6T428 V467 A468 T527 S540T428-K529 WeakPolarHBondContact OG1-CE 3.26Å; T428-K529 PolarHBondContact OG1-NZ 3.36Å; V467-K529 CarbonylContact O-C 3.48Å; V467-K529 VanDerWaalsContact O-CA 3.32Å; V467-K529 WeakPolarHBondContact O-CA 3.29Å; A468-K529 HydrophobicContact CB-CG 4.33Å; T527-K529 HydrophobicContact CG2-CG 4.36Å; K529-S540 PolarHBondContact N-O 3.48Å; K529-S540 PolarHBondContact O-N 2.92Å
530V98.6Very high96.8Very high1 Ų135.2 Ų35.21%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-121.3130.5172.8179.50000108.4D466 V467 L494 L503 Q538 L539D466-V530 WeakPolarHBondContact CA-O 3.47Å; V467-V530 HydrophobicContact CB-CB 4.16Å; V467-V530 PolarHBondContact N-O 2.94Å; V467-V530 PolarHBondContact O-N 2.91Å; L494-V530 HydrophobicContact CD1-CG2 3.96Å; L494-V530 HydrophobicContact CD2-CG2 3.71Å; L494-V530 HydrophobicContact CG-CG2 4.2Å; L503-V530 HydrophobicContact CD1-CG1 4.11Å; L503-V530 HydrophobicContact CD1-CG2 4.15Å; L503-V530 HydrophobicContact CD2-CG1 3.77Å; L503-V530 HydrophobicContact CD2-CG2 4.35Å; V530-Q538 VanDerWaalsContact CA-O 3.3Å; V530-Q538 WeakPolarHBondContact CA-O 3.34Å; V530-L539 HydrophobicContact CG2-CD1 3.88Å
531V98.2Very high96.9Very high45 Ų4535 Ų3527%0.27318%0.175SC..EExtended strand (participates in β ladder)trans-120.9115.8170.1178.20000106.8R533 Q538V531-R533 HydrophobicContact CG1-CG 4.31Å; V531-Q538 HydrophobicContact CB-CB 4.24Å; V531-Q538 PolarHBondContact N-O 3.17Å; V531-Q538 PolarHBondContact O-N 3.05Å
532R97.9Very high97Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-112.7132.2172-178.4164.4100.3106.510.5110.2T462 A464 E465 G534 S536 L537 T555T462-R532 PolarHBondContact O-NH2 2.77Å; A464-R532 WeakPolarHBondContact CA-O 3.42Å; A464-R532 WeakPolarHBondContact CB-O 3.31Å; E465-R532 PolarHBondContact N-O 2.94Å; E465-R532 VanDerWaalsContact N-O 3.11Å; E465-R532 PolarHBondContact O-N 2.85Å; E465-R532 IonicContact OE1-CZ 3.09Å; E465-R532 IonicContact OE1-NE 3.94Å; E465-R532 IonicContact OE1-NH2 3.72Å; E465-R532 PolarHBondContact OE1-NH2 2.83Å; E465-R532 WeakPolarHBondContact OE2-CB 3.37Å; E465-R532 WeakPolarHBondContact OE2-CD 3.41Å; E465-R532 IonicContact OE2-CZ 3.49Å; E465-R532 IonicContact OE2-NE 2.99Å; E465-R532 PolarHBondContact OE2-NE 2.83Å; E465-R532 IonicContact OE2-NH2 3.74Å; R532-G534 PolarHBondContact NH1-O 2.99Å; R532-S536 WeakPolarHBondContact CA-O 3.36Å; R532-L537 HydrophobicContact CB-CD2 4.05Å; R532-L537 HydrophobicContact CG-CD2 3.61Å; R532-T555 VanDerWaalsContact CZ-O 3.28Å; R532-T555 PolarHBondContact NH1-O 3.32Å; R532-T555 PolarHBondContact NH2-O 2.75Å
533R96.5Very high97Very high45 Ų4542.2 Ų42.217%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-134.493.4175.3-62.4-63.7-179.7-89.5-1.4109.2W357 E465 D466 V531 K535 S536W357-R533 HydrophobicContact CH2-CB 4.19Å; W357-R533 HydrophobicContact CZ3-CB 3.94Å; W357-R533 HydrophobicContact CZ3-CG 4.45Å; E465-R533 PolarHBondContact O-NH1 3.44Å; D466-R533 VanDerWaalsContact CG-NH2 3.26Å; D466-R533 IonicContact OD1-CZ 3.92Å; D466-R533 VanDerWaalsContact OD1-CZ 3.22Å; D466-R533 IonicContact OD1-NH1 3.5Å; D466-R533 PolarHBondContact OD1-NH1 2.9Å; D466-R533 IonicContact OD1-NH2 3.47Å; D466-R533 PolarHBondContact OD1-NH2 2.95Å; D466-R533 IonicContact OD2-CZ 3.57Å; D466-R533 IonicContact OD2-NH1 2.66Å; D466-R533 IonicContact OD2-NH2 3.88Å; D466-R533 PolarHBondContact OD2-NH2 2.91Å; V531-R533 HydrophobicContact CG1-CG 4.31Å; R533-K535 PolarHBondContact O-N 3.24Å; R533-S536 PolarHBondContact N-O 2.66Å; R533-S536 WeakPolarHBondContact O-CB 3.35Å; R533-S536 PolarHBondContact O-N 2.99Å
534G94.4Very high97.1Very high5 Ų543 Ų435%0.05222%0.221CC..THydrogen-bonded Turntrans59.1-104.5-173.500000111.6E463 R532E463-G534 VanDerWaalsContact O-CA 3.29Å; E463-G534 WeakPolarHBondContact O-CA 3.43Å; E463-G534 PolarHBondContact O-N 2.87Å; R532-G534 PolarHBondContact NH1-O 2.99Å
535K94.9Very high97.2Very high77 Ų7740.9 Ų40.934%0.33522%0.217SC..THydrogen-bonded Turntrans-91.1-16.2178.2-58.3-172-174.3-165.40113.6R533 Q549 M550 G552 T555R533-K535 PolarHBondContact O-N 3.24Å; K535-Q549 HydrophobicContact CB-CG 4.33Å; K535-Q549 CarbonylContact O-C 3.6Å; K535-Q549 WeakPolarHBondContact O-CA 3.31Å; K535-M550 HydrophobicContact CB-CB 4.17Å; K535-M550 WeakPolarHBondContact O-CG 3.49Å; K535-M550 PolarHBondContact O-N 3.15Å; K535-G552 WeakPolarHBondContact CD-O 3.26Å; K535-G552 WeakPolarHBondContact CE-O 3.42Å; K535-G552 PolarHBondContact NZ-O 2.92Å; K535-T555 HydrophobicContact CG-CG2 3.62Å
536S96.8Very high97.2Very high61 Ų6140.2 Ų40.243%0.42722%0.219SC..EExtended strand (participates in β ladder)trans-80.1130.5-179.6179.10000109.5R532 R533R532-S536 WeakPolarHBondContact CA-O 3.36Å; R533-S536 PolarHBondContact N-O 2.66Å; R533-S536 WeakPolarHBondContact O-CB 3.35Å; R533-S536 PolarHBondContact O-N 2.99Å
537L98Very high97.1Very high4 Ų446.1 Ų46.12%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-121.1133.2177.1-61.1176.9000108.6L503 V505 E512 L514 R532 E547 G548 M550L503-L537 HydrophobicContact CD2-CB 4.5Å; V505-L537 HydrophobicContact CG2-CD1 4.3Å; V505-L537 HydrophobicContact CG2-CD2 3.84Å; E512-L537 HydrophobicContact CB-CD1 4.43Å; L514-L537 HydrophobicContact CD1-CB 3.67Å; R532-L537 HydrophobicContact CB-CD2 4.05Å; R532-L537 HydrophobicContact CG-CD2 3.61Å; L537-E547 CarbonylContact O-C 3.57Å; L537-E547 WeakPolarHBondContact O-CA 3.32Å; L537-G548 PolarHBondContact N-O 3.23Å; L537-G548 PolarHBondContact O-N 2.71Å; L537-M550 HydrophobicContact CD1-CG 3.85Å; L537-M550 HydrophobicContact CD2-SD 4.41Å; L537-M550 HydrophobicContact CG-CG 4.1Å
538Q98.4Very high97Very high56 Ų5646.3 Ų46.326%0.26225%0.252SS..EExtended strand (participates in β ladder)trans-130.5126.8169.9-175-178.561.600108.4V530 V531 T545 V546 E547V530-Q538 VanDerWaalsContact CA-O 3.3Å; V530-Q538 WeakPolarHBondContact CA-O 3.34Å; V531-Q538 HydrophobicContact CB-CB 4.24Å; V531-Q538 PolarHBondContact N-O 3.17Å; V531-Q538 PolarHBondContact O-N 3.05Å; Q538-T545 HydrophobicContact CG-CG2 3.53Å; Q538-V546 WeakPolarHBondContact CA-O 3.23Å; Q538-E547 HydrophobicContact CB-CG 4.28Å; Q538-E547 HydrophobicContact CG-CG 3.94Å; Q538-E547 PolarHBondContact NE2-OE1 3.44Å
539L98.7Very high96.8Very high0 Ų053.5 Ų53.50%029%0.285CS..EExtended strand (participates in β ladder)trans-118.6120.7175.7172.764.6000108.3L494 V501 L503 L514 A516 V528 V530 V541 T545 V546L494-L539 HydrophobicContact CD2-CD1 4.04Å; V501-L539 HydrophobicContact CG1-CD1 4.19Å; V501-L539 HydrophobicContact CG1-CD2 4.46Å; L503-L539 HydrophobicContact CB-CD1 4.36Å; L503-L539 HydrophobicContact CB-CD2 3.96Å; L503-L539 HydrophobicContact CD2-CB 4.36Å; L514-L539 HydrophobicContact CB-CB 4.4Å; L514-L539 HydrophobicContact CB-CD2 4.23Å; L514-L539 HydrophobicContact CD1-CB 4.44Å; A516-L539 HydrophobicContact CB-CD2 3.66Å; A516-L539 HydrophobicContact CB-CG 3.82Å; V528-L539 HydrophobicContact CG1-CD1 3.79Å; V530-L539 HydrophobicContact CG2-CD1 3.88Å; L539-V541 HydrophobicContact CD1-CG2 4.47Å; L539-T545 CarbonylContact O-C 3.41Å; L539-T545 WeakPolarHBondContact O-CA 3.29Å; L539-V546 PolarHBondContact N-O 2.75Å; L539-V546 PolarHBondContact O-N 2.78Å
540S98.3Very high96.6Very high16 Ų1650.8 Ų50.811%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-115.8133173.1-530000110.5V528 K529 V544 T545V528-S540 CarbonylContact C-O 3.6Å; V528-S540 WeakPolarHBondContact CA-O 3.43Å; K529-S540 PolarHBondContact N-O 3.48Å; K529-S540 PolarHBondContact O-N 2.92Å; S540-V544 CarbonylContact C-O 3.49Å; S540-V544 VanDerWaalsContact CA-O 3.24Å; S540-V544 WeakPolarHBondContact CA-O 3.23Å; S540-T545 WeakPolarHBondContact OG-CG2 3.29Å; S540-T545 PolarHBondContact OG-OG1 2.69Å
541V98.3Very high96.1Very high2 Ų256.7 Ų56.71%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-125.8115171.9-178.60000107.5V501 A516 L520 T527 V528 L539 N543 V544V501-V541 HydrophobicContact CB-CG2 3.75Å; V501-V541 HydrophobicContact CG1-CG2 4.22Å; V501-V541 HydrophobicContact CG2-CG1 4.49Å; V501-V541 HydrophobicContact CG2-CG2 4Å; A516-V541 HydrophobicContact CB-CB 4.17Å; A516-V541 HydrophobicContact CB-CG2 3.59Å; L520-V541 HydrophobicContact CD1-CG1 3.82Å; L520-V541 HydrophobicContact CD2-CG1 4.03Å; T527-V541 CarbonylContact O-C 3.53Å; T527-V541 VanDerWaalsContact O-CA 3.31Å; T527-V541 WeakPolarHBondContact O-CA 3.48Å; V528-V541 HydrophobicContact CG2-CG2 4.43Å; L539-V541 HydrophobicContact CD1-CG2 4.47Å; V541-N543 PolarHBondContact O-N 2.8Å; V541-V544 PolarHBondContact N-O 3.48Å; V541-V544 PolarHBondContact O-N 2.91Å
542D95.9Very high95.2Very high69 Ų6955.5 Ų55.537%0.36931%0.306SS..THydrogen-bonded Turntrans50-108.8-169.6-54.5-36.7000111.1H526 T527H526-D542 WeakPolarHBondContact CA-OD1 3.42Å; H526-D542 IonicContact CE1-OD2 2.68Å; H526-D542 IonicContact CG-OD2 2.87Å; H526-D542 IonicContact ND1-OD1 3.86Å; H526-D542 IonicContact ND1-OD2 3.78Å; H526-D542 PolarHBondContact ND1-OD2 2.84Å; T527-D542 PolarHBondContact N-OD1 2.97Å; T527-D542 PolarHBondContact O-N 2.78Å
543N91.4Very high94.5Very high167 Ų16758.9 Ų58.989%0.89333%0.334SS*.THydrogen-bonded Turntrans-101.14.8-178.7-62.8-27.2000113.6V541V541-N543 PolarHBondContact O-N 2.8Å
544V95.9Very high94.1Very high75 Ų7561.4 Ų61.446%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-106.1118.9-177.8-178.60000109.7S540 V541S540-V544 CarbonylContact C-O 3.49Å; S540-V544 VanDerWaalsContact CA-O 3.24Å; S540-V544 WeakPolarHBondContact CA-O 3.23Å; V541-V544 PolarHBondContact N-O 3.48Å; V541-V544 PolarHBondContact O-N 2.91Å
545T97.1Very high94Very high76 Ų7662.2 Ų62.247%0.46635%0.352SS..EExtended strand (participates in β ladder)trans-114.2135177.3-58.40000110.9Q538 L539 S540Q538-T545 HydrophobicContact CG-CG2 3.53Å; L539-T545 CarbonylContact O-C 3.41Å; L539-T545 WeakPolarHBondContact O-CA 3.29Å; S540-T545 WeakPolarHBondContact OG-CG2 3.29Å; S540-T545 PolarHBondContact OG-OG1 2.69Å
546V97.9Very high94Very high46 Ų4662 Ų6228%0.27935%0.349SS..EExtended strand (participates in β ladder)trans-127133.6176.4-179.20000108.7L514 A516 Q538 L539L514-V546 HydrophobicContact CD2-CG1 4.28Å; A516-V546 HydrophobicContact CB-CG2 4.14Å; Q538-V546 WeakPolarHBondContact CA-O 3.23Å; L539-V546 PolarHBondContact N-O 2.75Å; L539-V546 PolarHBondContact O-N 2.78Å
547E97.5Very high94Very high138 Ų13859.1 Ų59.165%0.64533%0.329SS*.EExtended strand (participates in β ladder)trans-111.4150.5178.1-67.8-179.8175.100110.8L537 Q538L537-E547 CarbonylContact O-C 3.57Å; L537-E547 WeakPolarHBondContact O-CA 3.32Å; Q538-E547 HydrophobicContact CB-CG 4.28Å; Q538-E547 HydrophobicContact CG-CG 3.94Å; Q538-E547 PolarHBondContact NE2-OE1 3.44Å
548G95.2Very high93.8Very high20 Ų2060.4 Ų60.421%0.20634%0.335CS..EExtended strand (participates in β ladder)trans-151.7166.9178.900000112.1L537L537-G548 PolarHBondContact N-O 3.23Å; L537-G548 PolarHBondContact O-N 2.71Å
549Q94.4Very high93.7Very high151 Ų15157.8 Ų57.871%0.70632%0.323SS*.EExtended strand (participates in β ladder)trans-135.9131.3178.6-171.3172.9-700110K535K535-Q549 HydrophobicContact CB-CG 4.33Å; K535-Q549 CarbonylContact O-C 3.6Å; K535-Q549 WeakPolarHBondContact O-CA 3.31Å
550M93.5Very high93.7Very high12 Ų1258.7 Ų58.76%0.05933%0.327CS..  trans-71.1137.8177.5-59.9177.258.400111.1V505 L507 E512 K535 L537V505-M550 HydrophobicContact CG1-CE 4.07Å; V505-M550 HydrophobicContact CG1-SD 4.11Å; L507-M550 HydrophobicContact CD1-CE 3.62Å; L507-M550 HydrophobicContact CG-CE 4.07Å; E512-M550 HydrophobicContact CB-CG 4.31Å; E512-M550 HydrophobicContact CG-CB 4.15Å; E512-M550 HydrophobicContact CG-CE 4.4Å; E512-M550 HydrophobicContact CG-CG 4.04Å; K535-M550 HydrophobicContact CB-CB 4.17Å; K535-M550 WeakPolarHBondContact O-CG 3.49Å; K535-M550 PolarHBondContact O-N 3.15Å; L537-M550 HydrophobicContact CD1-CG 3.85Å; L537-M550 HydrophobicContact CD2-SD 4.41Å; L537-M550 HydrophobicContact CG-CG 4.1Å
551T88.2Confident93.6Very high126 Ų12658 Ų5877%0.77332%0.322SS*.SBendtrans-79.4-26.9-178.661.10000112.7E512E512-T551 WeakPolarHBondContact OE1-CB 3.36Å; E512-T551 PolarHBondContact OE1-N 2.56Å; E512-T551 PolarHBondContact OE1-OG1 2.95Å
552G80.6Confident93.6Very high19 Ų1957.9 Ų57.920%0.19632%0.321CS..SBendtrans-73.9161.7-179.700000115.3K535K535-G552 WeakPolarHBondContact CD-O 3.26Å; K535-G552 WeakPolarHBondContact CE-O 3.42Å; K535-G552 PolarHBondContact NZ-O 2.92Å
553A82.6Confident93.7Very high71 Ų7154.6 Ų54.659%0.58730%0.303SS*.SBendtrans-82.7-16.5170.900000113.6
554H88.2Confident94.1Very high98 Ų9846.6 Ų46.645%0.45426%0.261SS..  trans-80.6132.6-177.3-64.631.5000109L507 K509L507-H554 HydrophobicContact CB-CB 4.43Å; L507-H554 HydrophobicContact CD1-CB 4.5Å; L507-H554 WeakPolarHBondContact CD1-O 3.22Å; K509-H554 WeakPolarHBondContact CE-CE1 3.27Å; K509-H554 PolarHBondContact NZ-CE1 2.96Å
555T93.2Very high94.1Very high23 Ų2343 Ų4314%0.14124%0.239CC..  trans-125.2-17.4-178.843.60000112.6E463 R532 K535E463-T555 PolarHBondContact OE1-OG1 2.62Å; R532-T555 VanDerWaalsContact CZ-O 3.28Å; R532-T555 PolarHBondContact NH1-O 3.32Å; R532-T555 PolarHBondContact NH2-O 2.75Å; K535-T555 HydrophobicContact CG-CG2 3.62Å
556R94.3Very high94Very high72 Ų7241 Ų4127%0.27223%0.225SC..PPolyproline II helixtrans-80.1124-176.6-170.1177.5-67.4168.7-4.7110.8E260 P354 E355 H461 T462 E463 L507E260-R556 IonicContact OE1-CZ 2.67Å; E260-R556 IonicContact OE1-NH1 3.1Å; E260-R556 PolarHBondContact OE1-NH1 3.29Å; E260-R556 IonicContact OE2-NH1 3.05Å; P354-R556 HydrophobicContact CB-CG 4.39Å; P354-R556 HydrophobicContact CG-CG 4.39Å; E355-R556 IonicContact OE1-CZ 3.4Å; E355-R556 IonicContact OE1-NH2 3.48Å; E355-R556 PolarHBondContact OE1-NH2 2.64Å; E355-R556 IonicContact OE2-NH2 2.65Å; H461-R556 HydrophobicContact CB-CG 4.18Å; T462-R556 CarbonylContact O-C 3.13Å; T462-R556 WeakPolarHBondContact O-CA 3.43Å; E463-R556 HydrophobicContact CG-CB 4.37Å; L507-R556 WeakPolarHBondContact CD2-O 3.37Å
557L95.9Very high93.9Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-99.7123.8171.8174.969.2000108.9H461 T462 T483 D490 L492 L507 F559H461-L557 CarbonylContact C-O 3.56Å; H461-L557 VanDerWaalsContact CA-O 3.31Å; H461-L557 WeakPolarHBondContact CA-O 3.4Å; T462-L557 PolarHBondContact N-O 3.45Å; T462-L557 PolarHBondContact O-N 2.95Å; T462-L557 PolarHBondContact OG1-O 3.23Å; T483-L557 HydrophobicContact CG2-CD2 4.43Å; D490-L557 HydrophobicContact CB-CD1 4.19Å; L492-L557 HydrophobicContact CB-CD2 3.71Å; L492-L557 HydrophobicContact CD1-CD2 4.42Å; L507-L557 HydrophobicContact CD2-CB 3.91Å; L507-L557 HydrophobicContact CD2-CD1 3.74Å; L507-L557 HydrophobicContact CD2-CG 4.46Å; L557-F559 HydrophobicContact CD2-CD1 4.16Å; L557-F559 HydrophobicContact CD2-CE1 4.45Å; L557-F559 HydrophobicContact CG-CD1 4.12Å
558E94.9Very high93.7Very high31 Ų3134.8 Ų34.815%0.14520%0.197CC..EExtended strand (participates in β ladder)trans-100.5135170.6-178.7-168.2100.200110.5T459 M460 H461 S485 H560T459-E558 HydrophobicContact CG2-CG 3.84Å; M460-E558 WeakPolarHBondContact O-CA 3.5Å; H461-E558 IonicContact CE1-OE2 3.29Å; H461-E558 PolarHBondContact CE1-OE2 2.87Å; S485-E558 PolarHBondContact OG-OE1 2.92Å; E558-H560 IonicContact OE1-CE1 3.48Å
559F96.4Very high93.6Very high2 Ų235.1 Ų35.11%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-152.7153.117163.4-82.5000112.8M456 M460 T462 T483 L557 I562 F589M456-F559 HydrophobicContact CG-CD2 4.08Å; M456-F559 HydrophobicContact CG-CE2 3.86Å; M456-F559 HydrophobicContact SD-CE2 4.24Å; M460-F559 HydrophobicContact CB-CD1 3.94Å; M460-F559 HydrophobicContact CB-CD2 4.05Å; M460-F559 HydrophobicContact CB-CE1 3.56Å; M460-F559 HydrophobicContact CB-CE2 3.67Å; M460-F559 HydrophobicContact CB-CG 4.18Å; M460-F559 HydrophobicContact CB-CZ 3.4Å; M460-F559 VanDerWaalsContact CB-CZ 3.4Å; M460-F559 HydrophobicContact CG-CD2 4.38Å; M460-F559 HydrophobicContact CG-CE1 4.47Å; M460-F559 HydrophobicContact CG-CE2 3.78Å; M460-F559 HydrophobicContact CG-CZ 3.83Å; M460-F559 PolarHBondContact N-O 3.24Å; M460-F559 PolarHBondContact O-N 3.02Å; T462-F559 HydrophobicContact CG2-CE1 4.1Å; T483-F559 HydrophobicContact CG2-CD1 4.34Å; T483-F559 HydrophobicContact CG2-CD2 4.3Å; T483-F559 HydrophobicContact CG2-CG 4.15Å; L557-F559 HydrophobicContact CD2-CD1 4.16Å; L557-F559 HydrophobicContact CD2-CE1 4.45Å; L557-F559 HydrophobicContact CG-CD1 4.12Å; F559-I562 HydrophobicContact CD2-CG1 4.25Å; F559-I562 HydrophobicContact CE2-CD1 4.19Å; F559-I562 HydrophobicContact CE2-CG1 3.98Å; F559-F589 HydrophobicContact CE1-CE1 4.47Å; F559-F589 HydrophobicContact CE1-CZ 4.22Å; F559-F589 AromaticContact CZ-CE1 3.83Å; F559-F589 HydrophobicContact CZ-CE1 3.83Å; F559-F589 AromaticContact CZ-CZ 3.88Å; F559-F589 HydrophobicContact CZ-CZ 3.88Å
560H97.1Very high93.3Very high19 Ų1935.7 Ų35.79%0.08819%0.189CC..EExtended strand (participates in β ladder)trans-110.5-25.7176.5-68.780.1000111.7M456 T459 T484 S485 K486 E558M456-H560 WeakPolarHBondContact CB-O 3.48Å; M456-H560 PolarHBondContact N-O 2.86Å; T459-H560 PolarHBondContact OG1-CD2 3.13Å; T459-H560 PolarHBondContact OG1-NE2 3.43Å; T484-H560 PolarHBondContact O-N 3.47Å; S485-H560 PolarHBondContact OG-CE1 3.05Å; S485-H560 PolarHBondContact OG-ND1 2.6Å; S485-H560 VanDerWaalsContact OG-ND1 3.13Å; K486-H560 HydrophobicContact CD-CB 4.32Å; K486-H560 HydrophobicContact CG-CB 4.1Å; K486-H560 PolarHBondContact N-ND1 3.18Å; E558-H560 IonicContact OE1-CE1 3.48Å
561N97.8Very high93.1Very high0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-137.2153.1-178.4-28.3-82.4000111.6K453 I454 T483 T484 E563K453-N561 VanDerWaalsContact CE-OD1 3.27Å; K453-N561 WeakPolarHBondContact CE-OD1 3.42Å; K453-N561 HydrophobicContact CG-CB 4.14Å; I454-N561 CarbonylContact O-C 3.56Å; I454-N561 WeakPolarHBondContact O-CA 3.48Å; I454-N561 WeakPolarHBondContact O-CB 3.41Å; T483-N561 CarbonylContact C-O 3.59Å; T483-N561 VanDerWaalsContact CA-O 3.32Å; T483-N561 WeakPolarHBondContact CA-O 3.47Å; T484-N561 PolarHBondContact N-O 2.9Å; T484-N561 PolarHBondContact O-N 2.91Å; T484-N561 WeakPolarHBondContact OG1-CB 3.13Å; T484-N561 PolarHBondContact OG1-ND2 3.21Å; N561-E563 HydrophobicContact CB-CG 3.97Å
562I98.5Very high92.9Very high0 Ų042.4 Ų42.40%020%0.202CC..EExtended strand (participates in β ladder)trans-111.2122.1162.3-59169.7000106.6I454 M456 M481 T483 F559 L587 F589 Y594I454-I562 HydrophobicContact CB-CB 4.26Å; I454-I562 HydrophobicContact CD1-CB 4.01Å; I454-I562 HydrophobicContact CD1-CG2 4.07Å; I454-I562 PolarHBondContact N-O 3.09Å; I454-I562 PolarHBondContact O-N 3.5Å; M456-I562 HydrophobicContact SD-CD1 4.32Å; M481-I562 HydrophobicContact CG-CG2 3.83Å; M481-I562 HydrophobicContact SD-CG2 3.98Å; T483-I562 HydrophobicContact CG2-CG1 4.45Å; F559-I562 HydrophobicContact CD2-CG1 4.25Å; F559-I562 HydrophobicContact CE2-CD1 4.19Å; F559-I562 HydrophobicContact CE2-CG1 3.98Å; I562-L587 HydrophobicContact CG2-CD2 4.34Å; I562-F589 HydrophobicContact CD1-CB 4.18Å; I562-F589 HydrophobicContact CD1-CD1 4.01Å; I562-F589 HydrophobicContact CD1-CD2 3.92Å; I562-F589 HydrophobicContact CD1-CE1 4.41Å; I562-F589 HydrophobicContact CD1-CE2 4.32Å; I562-F589 HydrophobicContact CD1-CG 3.77Å; I562-Y594 HydrophobicContact CD1-CD2 4.09Å; I562-Y594 HydrophobicContact CD1-CE2 3.5Å; I562-Y594 VanDerWaalsContact CD1-CE2 3.5Å
563E98.2Very high93Very high0 Ų042.7 Ų42.70%020%0.198CC..EExtended strand (participates in β ladder)trans-124.4144.1-170.9-60.2-167.3-123.400111.6L452 K453 M481 A482 T484 N561 T568 E569L452-E563 CarbonylContact O-C 3.58Å; L452-E563 WeakPolarHBondContact O-CA 3.36Å; K453-E563 HydrophobicContact CB-CG 4.3Å; K453-E563 HydrophobicContact CG-CG 4.01Å; M481-E563 CarbonylContact C-O 3.54Å; M481-E563 VanDerWaalsContact CA-O 3.26Å; M481-E563 WeakPolarHBondContact CA-O 3.41Å; A482-E563 PolarHBondContact N-O 3.36Å; A482-E563 PolarHBondContact O-N 3.47Å; T484-E563 WeakPolarHBondContact CB-OE1 3.31Å; T484-E563 HydrophobicContact CG2-CG 4.45Å; T484-E563 WeakPolarHBondContact CG2-OE1 3.31Å; T484-E563 PolarHBondContact OG1-OE1 2.83Å; N561-E563 HydrophobicContact CB-CG 3.97Å; E563-T568 WeakPolarHBondContact OE2-CA 3.36Å; E563-T568 VanDerWaalsContact OE2-CB 3.27Å; E563-T568 WeakPolarHBondContact OE2-CB 3.44Å; E563-T568 PolarHBondContact OE2-N 3.16Å; E563-T568 PolarHBondContact OE2-OG1 2.88Å; E563-E569 WeakPolarHBondContact OE1-CB 3.46Å; E563-E569 PolarHBondContact OE1-N 2.81Å
564T98.5Very high92.7Very high0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-137.5155.2177.161.70000109.5Y446 Y451 L452 L480 M481 I566 L584 L587Y446-T564 WeakPolarHBondContact OH-CB 3.36Å; Y446-T564 PolarHBondContact OH-OG1 3.18Å; Y451-T564 VanDerWaalsContact CA-O 3.29Å; Y451-T564 WeakPolarHBondContact CA-O 3.18Å; L452-T564 WeakPolarHBondContact CB-OG1 3.34Å; L452-T564 PolarHBondContact N-O 2.9Å; L452-T564 VanDerWaalsContact N-O 3.11Å; L452-T564 PolarHBondContact O-N 2.86Å; L452-T564 PolarHBondContact O-OG1 3.28Å; L480-T564 WeakPolarHBondContact O-CG2 3.3Å; M481-T564 HydrophobicContact CB-CG2 4.24Å; M481-T564 HydrophobicContact CG-CG2 4.24Å; T564-I566 VanDerWaalsContact C-N 3.26Å; T564-I566 PolarHBondContact O-N 3.45Å; T564-L584 HydrophobicContact CG2-CD1 4Å; T564-L587 HydrophobicContact CG2-CD2 3.92Å
565G96.7Very high92.3Very high0 Ų045 Ų450%022%0.217CC..SBendtrans81.8-69.5-17900000112.7M450 N579 F580M450-G565 CarbonylContact O-C 3.59Å; M450-G565 WeakPolarHBondContact O-CA 3.21Å; G565-N579 CarbonylContact O-C 3.58Å; G565-N579 VanDerWaalsContact O-CA 3.28Å; G565-N579 WeakPolarHBondContact O-CA 3.5Å; G565-F580 PolarHBondContact O-N 2.82Å
566I95.4Very high92Very high34 Ų3446.5 Ų46.517%0.17423%0.226CC..SBendtrans-130.2137.3177.8-55.6174.3000108.6S449 M450 T564 T568 N579S449-I566 VanDerWaalsContact C-CD1 3.47Å; M450-I566 WeakPolarHBondContact O-CG1 2.84Å; T564-I566 VanDerWaalsContact C-N 3.26Å; T564-I566 PolarHBondContact O-N 3.45Å; I566-T568 PolarHBondContact O-N 3.18Å; I566-N579 HydrophobicContact CG1-CB 3.98Å
567M94.7Very high91.8Very high3 Ų343.8 Ų43.82%0.01522%0.218CC..  trans-83.698.5169.2-165.4171.377.900109.2L479 A482 T484 R570 I573 V576L479-M567 HydrophobicContact CD2-CB 3.85Å; A482-M567 HydrophobicContact CB-SD 4.43Å; T484-M567 HydrophobicContact CG2-CG 3.73Å; T484-M567 HydrophobicContact CG2-SD 4.16Å; M567-R570 HydrophobicContact CE-CB 4.22Å; M567-I573 HydrophobicContact CE-CB 3.9Å; M567-I573 HydrophobicContact CE-CD1 3.63Å; M567-I573 HydrophobicContact CE-CG1 4.36Å; M567-I573 HydrophobicContact CE-CG2 3.6Å; M567-I573 HydrophobicContact SD-CD1 3.63Å; M567-V576 HydrophobicContact CB-CG1 4.24Å; M567-V576 HydrophobicContact CE-CB 3.96Å; M567-V576 HydrophobicContact CE-CG1 3.68Å; M567-V576 HydrophobicContact CE-CG2 3.59Å
568T94.1Very high91.7Very high50 Ų5045 Ų4531%0.30723%0.226SC..  trans-79.5-38.7-176.769.20000111.9Y451 K453 E563 I566 R570Y451-T568 HydrophobicContact CD1-CG2 4.28Å; Y451-T568 HydrophobicContact CD2-CG2 3.98Å; Y451-T568 HydrophobicContact CE2-CG2 4.3Å; Y451-T568 HydrophobicContact CG-CG2 3.98Å; K453-T568 WeakPolarHBondContact CD-OG1 3.38Å; K453-T568 PolarHBondContact NZ-OG1 2.79Å; E563-T568 WeakPolarHBondContact OE2-CA 3.36Å; E563-T568 VanDerWaalsContact OE2-CB 3.27Å; E563-T568 WeakPolarHBondContact OE2-CB 3.44Å; E563-T568 PolarHBondContact OE2-N 3.16Å; E563-T568 PolarHBondContact OE2-OG1 2.88Å; I566-T568 PolarHBondContact O-N 3.18Å; T568-R570 PolarHBondContact O-N 2.85Å
569E93.3Very high91.7Very high26 Ų2645.8 Ų45.812%0.12123%0.232CC..  trans-86.1110.9172.6-17654.3-98.600110.2S485 E563 R571S485-E569 WeakPolarHBondContact O-CG 3.38Å; E563-E569 WeakPolarHBondContact OE1-CB 3.46Å; E563-E569 PolarHBondContact OE1-N 2.81Å; E569-R571 VanDerWaalsContact OE1-CB 3.27Å; E569-R571 WeakPolarHBondContact OE1-CB 3.29Å; E569-R571 PolarHBondContact OE1-N 2.97Å; E569-R571 VanDerWaalsContact OE1-N 3.09Å
570R87.2Confident91.8Very high164 Ų16445.7 Ų45.762%0.61923%0.231SC*.  trans-138.813.7-172.763.5-176179.6-174.5-0.1113.3M567 T568 F572 I573 V576M567-R570 HydrophobicContact CE-CB 4.22Å; T568-R570 PolarHBondContact O-N 2.85Å; R570-F572 PolarHBondContact O-N 3.34Å; R570-F572 VanDerWaalsContact O-N 3.17Å; R570-I573 PolarHBondContact O-N 3.37Å; R570-V576 HydrophobicContact CB-CG2 4.21Å
571R88.9Confident91.8Very high183 Ų18345.3 Ų45.369%0.69123%0.23SC*.THydrogen-bonded Turntrans-55.6-36.9-173.2-173.6-179.8-60.6-179.31.1113.5E569E569-R571 VanDerWaalsContact OE1-CB 3.27Å; E569-R571 WeakPolarHBondContact OE1-CB 3.29Å; E569-R571 PolarHBondContact OE1-N 2.97Å; E569-R571 VanDerWaalsContact OE1-N 3.09Å
572F85.6Confident91.8Very high96 Ų9645.6 Ų45.642%0.42123%0.232SC..THydrogen-bonded Turntrans-111.1-1.6-176.4-59.1-77.8000113.9K486 A489 R570K486-F572 VanDerWaalsContact O-CE2 3.31Å; K486-F572 WeakPolarHBondContact O-CE2 3.4Å; A489-F572 HydrophobicContact CB-CB 3.96Å; A489-F572 VanDerWaalsContact CB-O 3.23Å; A489-F572 WeakPolarHBondContact CB-O 3Å; R570-F572 PolarHBondContact O-N 3.34Å; R570-F572 VanDerWaalsContact O-N 3.17Å
573I82.6Confident91.8Very high24 Ų2446.1 Ų46.112%0.12323%0.234CC..  trans-98.3118.3-176.5-60.2172.4000108.8M567 R570 V575M567-I573 HydrophobicContact CE-CB 3.9Å; M567-I573 HydrophobicContact CE-CD1 3.63Å; M567-I573 HydrophobicContact CE-CG1 4.36Å; M567-I573 HydrophobicContact CE-CG2 3.6Å; M567-I573 HydrophobicContact SD-CD1 3.63Å; R570-I573 PolarHBondContact O-N 3.37Å; I573-V575 WeakPolarHBondContact CG2-O 3.43Å
574S75.1Confident91.8Very high118 Ų11846.2 Ų46.283%0.82524%0.235SC*.SBendtrans-81.1-29-177.456.20000114
575V80.8Confident91.8Very high100 Ų10046.8 Ų46.861%0.60624%0.238SC*.  trans-121.6109.3-179.2-176.30000109.2R493 I573R493-V575 PolarHBondContact NH1-O 3.05Å; I573-V575 WeakPolarHBondContact CG2-O 3.43Å
576V86.5Confident91.7Very high55 Ų5547.9 Ų47.933%0.33325%0.249SC..PPolyproline II helixtrans-98129.2178.9-175.60000108.8M567 R570M567-V576 HydrophobicContact CB-CG1 4.24Å; M567-V576 HydrophobicContact CE-CB 3.96Å; M567-V576 HydrophobicContact CE-CG1 3.68Å; M567-V576 HydrophobicContact CE-CG2 3.59Å; R570-V576 HydrophobicContact CB-CG2 4.21Å
577P91Very high91.8Very high14 Ų1446.4 Ų46.49%0.09124%0.242CC..PPolyproline II helixtrans-63160.9172.6-18.931.7000111.5L479 E495L479-P577 HydrophobicContact CB-CB 4.26Å; L479-P577 HydrophobicContact CD1-CG 4.21Å; E495-P577 HydrophobicContact CB-CB 4.46Å; E495-P577 WeakPolarHBondContact OE2-CB 3.33Å; E495-P577 WeakPolarHBondContact OE2-CG 3.41Å
578S92.6Very high91.9Very high26 Ų2647.6 Ų47.618%0.18225%0.251CS..PPolyproline II helixtrans-62.9147.117078.60000111R475 G478 L479 G775R475-S578 PolarHBondContact NH2-OG 3.34Å; G478-S578 CarbonylContact C-O 3.52Å; G478-S578 WeakPolarHBondContact CA-O 3.44Å; G478-S578 WeakPolarHBondContact CA-OG 3.4Å; G478-S578 PolarHBondContact N-OG 3.45Å; L479-S578 PolarHBondContact N-O 2.7Å; S578-G775 WeakPolarHBondContact CB-O 2.99Å
579N95.9Very high92Very high48 Ų4845.5 Ų45.526%0.25724%0.237SC..PPolyproline II helixtrans-58.8159.2174.7-56.2-12.5000110.7G448 R475 G565 I566 L777G448-N579 WeakPolarHBondContact O-CB 3.34Å; G448-N579 PolarHBondContact O-ND2 3.11Å; R475-N579 PolarHBondContact NH1-O 3.33Å; G565-N579 CarbonylContact O-C 3.58Å; G565-N579 VanDerWaalsContact O-CA 3.28Å; G565-N579 WeakPolarHBondContact O-CA 3.5Å; I566-N579 HydrophobicContact CG1-CB 3.98Å; N579-L777 HydrophobicContact CB-CD1 4.05Å
580F97.8Very high92.2Very high0 Ų044.7 Ų44.70%023%0.233CC..PPolyproline II helixtrans-92.8138.9-178.2-175.2-116.6000112.9Y446 G448 F471 L479 L480 L496 G565 G582 L584Y446-F580 WeakPolarHBondContact CB-O 3.34Å; Y446-F580 AromaticContact CD2-CD1 3.71Å; Y446-F580 HydrophobicContact CD2-CD1 3.71Å; Y446-F580 HydrophobicContact CD2-CE1 4Å; Y446-F580 HydrophobicContact CE2-CD1 4.42Å; Y446-F580 AromaticContact CG-CD1 3.89Å; Y446-F580 HydrophobicContact CG-CD1 3.89Å; G448-F580 VanDerWaalsContact CA-O 3.25Å; G448-F580 WeakPolarHBondContact CA-O 3.43Å; G448-F580 PolarHBondContact N-O 3.27Å; F471-F580 HydrophobicContact CB-CZ 4.33Å; L479-F580 VanDerWaalsContact O-CB 3.26Å; L479-F580 WeakPolarHBondContact O-CB 3.42Å; L480-F580 HydrophobicContact CD2-CD2 3.93Å; L480-F580 HydrophobicContact CD2-CE2 3.53Å; L480-F580 HydrophobicContact CD2-CZ 4.1Å; L496-F580 HydrophobicContact CD1-CE2 4.37Å; G565-F580 PolarHBondContact O-N 2.82Å; F580-G582 VanDerWaalsContact CE1-C 3.47Å; F580-L584 HydrophobicContact CD1-CD2 4.34Å; F580-L584 HydrophobicContact CD1-CG 4.23Å; F580-L584 HydrophobicContact CE1-CD2 3.65Å; F580-L584 HydrophobicContact CE1-CG 3.75Å; F580-L584 HydrophobicContact CZ-CD2 3.82Å; F580-L584 HydrophobicContact CZ-CG 4.42Å
581I96.8Very high92.4Very high11 Ų1139.9 Ų39.96%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-121.4121.2166.5-51.6-167.1000107.2Y446 S473 R475 I617 A619 L777Y446-I581 WeakPolarHBondContact O-CA 3.45Å; S473-I581 WeakPolarHBondContact CB-O 3.37Å; S473-I581 PolarHBondContact OG-O 3.35Å; R475-I581 HydrophobicContact CG-CB 4.41Å; I581-I617 HydrophobicContact CG2-CG2 3.67Å; I581-A619 HydrophobicContact CD1-CB 3.77Å; I581-L777 HydrophobicContact CD1-CD1 4.17Å; I581-L777 HydrophobicContact CD1-CD2 3.8Å; I581-L777 HydrophobicContact CG1-CD1 4.26Å
582G97.4Very high92.7Very high5 Ų532.6 Ų32.65%0.05220%0.201CC..EExtended strand (participates in β ladder)trans145.8-157-177.100000112.6Y446 M472 F580 I617Y446-G582 PolarHBondContact N-O 2.81Å; Y446-G582 PolarHBondContact O-N 3.22Å; M472-G582 CarbonylContact O-C 3.55Å; M472-G582 VanDerWaalsContact O-CA 3.26Å; M472-G582 WeakPolarHBondContact O-CA 3.48Å; F580-G582 VanDerWaalsContact CE1-C 3.47Å; G582-I617 WeakPolarHBondContact O-CD1 3.15Å
583H98.6Very high93.2Very high11 Ų1129.9 Ų29.95%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-121.6139.8-179.2-53.4-68.5000110.9V443 L444 S445 F471 M472 W525 R615 I617V443-H583 HydrophobicContact CG1-CB 4.03Å; L444-H583 CarbonylContact O-C 3.57Å; L444-H583 VanDerWaalsContact O-CA 3.3Å; L444-H583 WeakPolarHBondContact O-CA 3.36Å; S445-H583 PolarHBondContact OG-CE1 3.04Å; S445-H583 PolarHBondContact OG-ND1 2.68Å; F471-H583 CarbonylContact C-O 3.2Å; F471-H583 VanDerWaalsContact CA-O 3.26Å; F471-H583 WeakPolarHBondContact CA-O 3.46Å; M472-H583 HydrophobicContact CB-CB 4.43Å; M472-H583 PolarHBondContact N-O 2.79Å; M472-H583 PolarHBondContact O-N 3.26Å; W525-H583 HydrophobicContact CH2-CB 3.72Å; W525-H583 HydrophobicContact CZ2-CB 4.29Å; W525-H583 HydrophobicContact CZ3-CB 4.4Å; H583-R615 PolarHBondContact CE1-O 3.39Å; H583-R615 PolarHBondContact NE2-O 2.99Å; H583-I617 VanDerWaalsContact CE1-CD1 3.49Å; H583-I617 WeakPolarHBondContact CE1-CD1 3.5Å
584L98.6Very high93.9Very high3 Ų329.4 Ų29.42%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-113.5147.3166.5-59.2-178.1000109.6V443 L444 Y446 L469 R470 F471 L480 T564 F580 L595V443-L584 CarbonylContact C-O 3.55Å; V443-L584 WeakPolarHBondContact CA-O 3.07Å; L444-L584 PolarHBondContact N-O 2.85Å; L444-L584 PolarHBondContact O-N 3.03Å; Y446-L584 HydrophobicContact CD2-CG 4.3Å; Y446-L584 HydrophobicContact CE2-CB 3.95Å; Y446-L584 HydrophobicContact CE2-CD1 3.73Å; Y446-L584 HydrophobicContact CE2-CG 3.66Å; L469-L584 HydrophobicContact CD1-CD2 4.41Å; R470-L584 CarbonylContact O-C 3.54Å; R470-L584 WeakPolarHBondContact O-CA 3.15Å; F471-L584 HydrophobicContact CB-CD2 3.59Å; L480-L584 HydrophobicContact CD2-CD2 4.1Å; L480-L584 VanDerWaalsContact O-CD1 3.31Å; L480-L584 WeakPolarHBondContact O-CD1 3.47Å; T564-L584 HydrophobicContact CG2-CD1 4Å; F580-L584 HydrophobicContact CD1-CD2 4.34Å; F580-L584 HydrophobicContact CD1-CG 4.23Å; F580-L584 HydrophobicContact CE1-CD2 3.65Å; F580-L584 HydrophobicContact CE1-CG 3.75Å; F580-L584 HydrophobicContact CZ-CD2 3.82Å; F580-L584 HydrophobicContact CZ-CG 4.42Å; L584-L595 HydrophobicContact CB-CD1 4.46Å
585Q98.1Very high95Very high11 Ų1123.8 Ų23.85%0.05115%0.15CC..EExtended strand (participates in β ladder)trans-142.3142.5176.3-175.9-175.546.900110.9G431 A441 T442 V443 R470 W525 L587G431-Q585 VanDerWaalsContact CA-OE1 3.25Å; G431-Q585 PolarHBondContact O-NE2 3.44Å; A441-Q585 HydrophobicContact CB-CG 3.95Å; A441-Q585 PolarHBondContact O-NE2 3.49Å; T442-Q585 WeakPolarHBondContact O-CA 3.12Å; V443-Q585 HydrophobicContact CG2-CB 4.15Å; V443-Q585 HydrophobicContact CG2-CG 3.95Å; R470-Q585 HydrophobicContact CB-CB 4.26Å; R470-Q585 PolarHBondContact N-O 3.42Å; R470-Q585 PolarHBondContact O-N 2.86Å; W525-Q585 HydrophobicContact CH2-CB 3.58Å; W525-Q585 HydrophobicContact CZ2-CB 4.4Å; W525-Q585 HydrophobicContact CZ3-CB 3.65Å; Q585-L587 PolarHBondContact O-N 2.98Å
586G94.6Very high95.7Very high24 Ų2419.5 Ų19.525%0.24712%0.124CC..EExtended strand (participates in β ladder)trans59.444.4169.600000114.7S588G586-S588 PolarHBondContact O-N 2.9Å; G586-S588 VanDerWaalsContact O-N 3.08Å
587L97.4Very high96.2Very high2 Ų219.1 Ų19.11%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-63.7108.9170.8177.164.2000109.3I454 A468 L469 M481 I562 T564 Q585 P593 Y594 L595I454-L587 HydrophobicContact CD1-CD2 4.4Å; A468-L587 CarbonylContact O-C 3.58Å; A468-L587 WeakPolarHBondContact O-CA 3.04Å; L469-L587 HydrophobicContact CB-CB 4.48Å; L469-L587 HydrophobicContact CB-CD1 4.06Å; L469-L587 HydrophobicContact CD2-CD1 3.92Å; M481-L587 HydrophobicContact CG-CD1 4.21Å; I562-L587 HydrophobicContact CG2-CD2 4.34Å; T564-L587 HydrophobicContact CG2-CD2 3.92Å; Q585-L587 PolarHBondContact O-N 2.98Å; L587-P593 CarbonylContact O-C 3.59Å; L587-P593 WeakPolarHBondContact O-CA 3.37Å; L587-Y594 PolarHBondContact O-N 3.22Å; L587-L595 HydrophobicContact CB-CD1 4.24Å; L587-L595 HydrophobicContact CB-CD2 4.01Å; L587-L595 HydrophobicContact CB-CG 3.74Å; L587-L595 HydrophobicContact CD2-CD2 4.33Å
588S96.6Very high96.4Very high29 Ų2919.2 Ų19.220%0.20312%0.12CC..EExtended strand (participates in β ladder)trans-110.2127.6170.9175.90000109.3V467 A468 G586 V592V467-S588 CarbonylContact C-O 3.57Å; V467-S588 WeakPolarHBondContact CA-O 3.26Å; A468-S588 PolarHBondContact N-O 3.38Å; A468-S588 PolarHBondContact O-N 2.98Å; G586-S588 PolarHBondContact O-N 2.9Å; G586-S588 VanDerWaalsContact O-N 3.08Å; S588-V592 WeakPolarHBondContact CA-O 3.25Å
589F97.5Very high96.6Very high6 Ų623.3 Ų23.33%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-129.6117.2173.7-172.1-69000108.3E465 D466 V467 M481 T483 F559 I562 S591 V592 Y594E465-F589 HydrophobicContact CB-CZ 4.31Å; E465-F589 HydrophobicContact CG-CE1 4.45Å; E465-F589 HydrophobicContact CG-CZ 4.04Å; D466-F589 CarbonylContact O-C 3.58Å; D466-F589 WeakPolarHBondContact O-CA 3.43Å; V467-F589 HydrophobicContact CG2-CD2 3.54Å; V467-F589 HydrophobicContact CG2-CE2 3.68Å; V467-F589 HydrophobicContact CG2-CG 4.28Å; M481-F589 HydrophobicContact CE-CD2 3.82Å; M481-F589 HydrophobicContact CE-CE2 4.09Å; T483-F589 HydrophobicContact CG2-CE2 3.69Å; T483-F589 HydrophobicContact CG2-CZ 4.01Å; F559-F589 HydrophobicContact CE1-CE1 4.47Å; F559-F589 HydrophobicContact CE1-CZ 4.22Å; F559-F589 AromaticContact CZ-CE1 3.83Å; F559-F589 HydrophobicContact CZ-CE1 3.83Å; F559-F589 AromaticContact CZ-CZ 3.88Å; F559-F589 HydrophobicContact CZ-CZ 3.88Å; I562-F589 HydrophobicContact CD1-CB 4.18Å; I562-F589 HydrophobicContact CD1-CD1 4.01Å; I562-F589 HydrophobicContact CD1-CD2 3.92Å; I562-F589 HydrophobicContact CD1-CE1 4.41Å; I562-F589 HydrophobicContact CD1-CE2 4.32Å; I562-F589 HydrophobicContact CD1-CG 3.77Å; F589-S591 VanDerWaalsContact C-N 3.29Å; F589-S591 PolarHBondContact O-N 2.92Å; F589-V592 PolarHBondContact N-O 2.86Å; F589-V592 WeakPolarHBondContact O-CB 3.48Å; F589-V592 PolarHBondContact O-N 2.84Å; F589-Y594 HydrophobicContact CB-CD2 4.02Å; F589-Y594 HydrophobicContact CB-CE2 3.86Å
590N96.1Very high96.6Very high8 Ų826 Ų264%0.04315%0.148CC..THydrogen-bonded Turntrans49.449.1-173.1-651.6000112.5L360 N362 E465 D466 V592L360-N590 WeakPolarHBondContact O-CB 3.35Å; L360-N590 PolarHBondContact O-ND2 2.89Å; N362-N590 PolarHBondContact ND2-O 3.35Å; E465-N590 VanDerWaalsContact CA-OD1 3.24Å; E465-N590 WeakPolarHBondContact CA-OD1 3.4Å; D466-N590 PolarHBondContact N-OD1 2.81Å; D466-N590 PolarHBondContact O-N 2.9Å; N590-V592 PolarHBondContact O-N 2.81Å
591S92.7Very high96.4Very high63 Ų6328.6 Ų28.644%0.44118%0.176SC..THydrogen-bonded Turntrans69.74.7-178.7-46.90000115.8L361 F589L361-S591 PolarHBondContact O-OG 2.79Å; F589-S591 VanDerWaalsContact C-N 3.29Å; F589-S591 PolarHBondContact O-N 2.92Å
592V94.9Very high96.3Very high30 Ų3033.1 Ų33.118%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-96117.1178.1-175.80000110.8S588 F589 N590 Y594S588-V592 WeakPolarHBondContact CA-O 3.25Å; F589-V592 PolarHBondContact N-O 2.86Å; F589-V592 WeakPolarHBondContact O-CB 3.48Å; F589-V592 PolarHBondContact O-N 2.84Å; N590-V592 PolarHBondContact O-N 2.81Å; V592-Y594 HydrophobicContact CB-CD2 4.45Å; V592-Y594 HydrophobicContact CB-CE2 4.09Å; V592-Y594 HydrophobicContact CG1-CD1 4.01Å; V592-Y594 HydrophobicContact CG1-CD2 4.31Å; V592-Y594 HydrophobicContact CG1-CE1 3.75Å; V592-Y594 HydrophobicContact CG1-CE2 4.09Å; V592-Y594 HydrophobicContact CG1-CG 4.27Å; V592-Y594 PolarHBondContact O-N 2.88Å; V592-Y594 VanDerWaalsContact O-N 3.12Å
593P96.6Very high96.1Very high39 Ų3933.8 Ų33.825%0.25320%0.202SC..EExtended strand (participates in β ladder)trans-8480.9-178.934.1-34.6000111.5L587 L595 D596 Q597L587-P593 CarbonylContact O-C 3.59Å; L587-P593 WeakPolarHBondContact O-CA 3.37Å; P593-L595 PolarHBondContact O-N 2.95Å; P593-D596 HydrophobicContact CB-CB 4.4Å; P593-D596 PolarHBondContact O-N 2.98Å; P593-Q597 HydrophobicContact CG-CG 4.47Å; P593-Q597 PolarHBondContact O-N 3.09Å; P593-Q597 VanDerWaalsContact O-N 3.07Å
594Y97.1Very high95.9Very high14 Ų1439 Ų396%0.05524%0.24CC..Hα-helixtrans-63.2-34.9-169.2-79.6-64.6000114.8I454 I562 L587 F589 V592 D596 C598 I603 Y605I454-Y594 HydrophobicContact CD1-CD1 4.08Å; I454-Y594 HydrophobicContact CD1-CD2 4.15Å; I454-Y594 HydrophobicContact CD1-CG 3.67Å; I454-Y594 HydrophobicContact CG1-CD1 4.09Å; I454-Y594 HydrophobicContact CG1-CG 4.21Å; I454-Y594 HydrophobicContact CG2-CD1 3.79Å; I454-Y594 HydrophobicContact CG2-CE1 3.65Å; I454-Y594 HydrophobicContact CG2-CG 4.49Å; I562-Y594 HydrophobicContact CD1-CD2 4.09Å; I562-Y594 HydrophobicContact CD1-CE2 3.5Å; I562-Y594 VanDerWaalsContact CD1-CE2 3.5Å; L587-Y594 PolarHBondContact O-N 3.22Å; F589-Y594 HydrophobicContact CB-CD2 4.02Å; F589-Y594 HydrophobicContact CB-CE2 3.86Å; V592-Y594 HydrophobicContact CB-CD2 4.45Å; V592-Y594 HydrophobicContact CB-CE2 4.09Å; V592-Y594 HydrophobicContact CG1-CD1 4.01Å; V592-Y594 HydrophobicContact CG1-CD2 4.31Å; V592-Y594 HydrophobicContact CG1-CE1 3.75Å; V592-Y594 HydrophobicContact CG1-CE2 4.09Å; V592-Y594 HydrophobicContact CG1-CG 4.27Å; V592-Y594 PolarHBondContact O-N 2.88Å; V592-Y594 VanDerWaalsContact O-N 3.12Å; Y594-D596 VanDerWaalsContact C-N 3.29Å; Y594-D596 PolarHBondContact O-N 2.97Å; Y594-C598 WeakPolarHBondContact O-CB 3.38Å; Y594-C598 PolarHBondContact O-N 3.45Å; Y594-C598 PolarHBondContact O-SG 2.81Å; Y594-I603 HydrophobicContact CD1-CD1 3.77Å; Y594-I603 HydrophobicContact CE1-CD1 4.17Å; Y594-Y605 HydrophobicContact CE1-CE2 4.47Å
595L96.8Very high95.7Very high1 Ų142.4 Ų42.41%0.00525%0.253CS..Hα-helixtrans-63.2-40.4179.1-57.2-168.1000111.4T442 L452 L584 L587 P593 K599T442-L595 HydrophobicContact CG2-CB 4.19Å; L452-L595 HydrophobicContact CD2-CD2 3.34Å; L584-L595 HydrophobicContact CB-CD1 4.46Å; L587-L595 HydrophobicContact CB-CD1 4.24Å; L587-L595 HydrophobicContact CB-CD2 4.01Å; L587-L595 HydrophobicContact CB-CG 3.74Å; L587-L595 HydrophobicContact CD2-CD2 4.33Å; P593-L595 PolarHBondContact O-N 2.95Å; L595-K599 WeakPolarHBondContact O-CB 3.46Å; L595-K599 PolarHBondContact O-N 2.67Å; L595-K599 VanDerWaalsContact O-N 3.09Å
596D96.6Very high95.6Very high9 Ų943.2 Ų43.25%0.04826%0.259CS..Hα-helixtrans-73.2-45.1-178.1-61.5-80.9000111.2L433 T442 P593 Y594 C598 K599 N600L433-D596 HydrophobicContact CD2-CB 4.05Å; L433-D596 WeakPolarHBondContact CD2-OD1 3.06Å; L433-D596 VanDerWaalsContact CD2-OD2 3.23Å; L433-D596 WeakPolarHBondContact CD2-OD2 3.26Å; T442-D596 WeakPolarHBondContact CB-OD1 3.19Å; T442-D596 PolarHBondContact N-OD1 3.21Å; T442-D596 PolarHBondContact OG1-OD1 3.5Å; P593-D596 HydrophobicContact CB-CB 4.4Å; P593-D596 PolarHBondContact O-N 2.98Å; Y594-D596 VanDerWaalsContact C-N 3.29Å; Y594-D596 PolarHBondContact O-N 2.97Å; D596-C598 VanDerWaalsContact C-N 3.35Å; D596-C598 PolarHBondContact O-N 2.92Å; D596-K599 PolarHBondContact O-N 3.21Å; D596-N600 WeakPolarHBondContact O-CB 3.2Å; D596-N600 PolarHBondContact O-N 3.25Å; D596-N600 PolarHBondContact O-ND2 2.65Å
597Q96.8Very high95.7Very high47 Ų4746.5 Ų46.522%0.2227%0.269CS..Hα-helixtrans-61.7-41.1175.5-70.3-169.8-0.700112.3P593 G601 D602 I603P593-Q597 HydrophobicContact CG-CG 4.47Å; P593-Q597 PolarHBondContact O-N 3.09Å; P593-Q597 VanDerWaalsContact O-N 3.07Å; Q597-G601 PolarHBondContact O-N 3.4Å; Q597-D602 HydrophobicContact CB-CB 4.04Å; Q597-D602 HydrophobicContact CG-CB 4.12Å; Q597-D602 PolarHBondContact O-N 3.48Å; Q597-I603 HydrophobicContact CB-CD1 3.88Å; Q597-I603 HydrophobicContact CB-CG1 3.89Å; Q597-I603 HydrophobicContact CB-CG2 4.35Å; Q597-I603 VanDerWaalsContact OE1-CG2 3.31Å
598C96.3Very high95.7Very high17 Ų1749.2 Ų49.212%0.11528%0.283CS..Hα-helixtrans-64.8-38.7175.1-65.30000112.1Y594 D596 C606Y594-C598 WeakPolarHBondContact O-CB 3.38Å; Y594-C598 PolarHBondContact O-N 3.45Å; Y594-C598 PolarHBondContact O-SG 2.81Å; D596-C598 VanDerWaalsContact C-N 3.35Å; D596-C598 PolarHBondContact O-N 2.92Å; C598-C606 HydrophobicContact CB-CB 3.74Å; C598-C606 WeakPolarHBondContact CB-SG 3.26Å; C598-C606 WeakPolarHBondContact SG-CB 3.46Å; C598-C606 CovalentContact SG-SG 2.04Å; C598-C606 PolarHBondContact SG-SG 2.91Å
599K95.9Very high95.5Very high111 Ų11151.4 Ų51.448%0.48329%0.292SS..Hα-helixtrans-68.1-42.9178.7-178.5-172.5172.1-170.50112.1T442 L595 D596 G601 F612T442-K599 HydrophobicContact CG2-CB 4.13Å; T442-K599 HydrophobicContact CG2-CD 3.65Å; T442-K599 HydrophobicContact CG2-CG 4.41Å; T442-K599 WeakPolarHBondContact OG1-CD 3.28Å; L595-K599 WeakPolarHBondContact O-CB 3.46Å; L595-K599 PolarHBondContact O-N 2.67Å; L595-K599 VanDerWaalsContact O-N 3.09Å; D596-K599 PolarHBondContact O-N 3.21Å; K599-G601 VanDerWaalsContact C-N 3.3Å; K599-F612 HydrophobicContact CB-CD1 4.08Å; K599-F612 HydrophobicContact CB-CE1 3.54Å; K599-F612 HydrophobicContact CB-CZ 3.8Å; K599-F612 HydrophobicContact CD-CD1 4.27Å; K599-F612 HydrophobicContact CG-CD1 4.05Å; K599-F612 HydrophobicContact CG-CE1 3.99Å; K599-F612 HydrophobicContact CG-CG 4.38Å; K599-F612 HydrophobicContact CG-CZ 4.27Å
600N95.8Very high95.4Very high104 Ų10451.6 Ų51.656%0.55630%0.295SS*.Hα-helixtrans-78-18.2-176-65.2-14.7000112.4D596D596-N600 WeakPolarHBondContact O-CB 3.2Å; D596-N600 PolarHBondContact O-N 3.25Å; D596-N600 PolarHBondContact O-ND2 2.65Å
601G94.3Very high95.3Very high56 Ų5657.8 Ų57.858%0.57732%0.317SS*.THydrogen-bonded Turntrans80.518.8-175.300000113.2Q597 K599 I603Q597-G601 PolarHBondContact O-N 3.4Å; K599-G601 VanDerWaalsContact C-N 3.3Å; G601-I603 PolarHBondContact O-N 2.68Å
602D93.6Very high95.4Very high106 Ų10658.3 Ų58.357%0.56731%0.312SS*.SBendtrans-64.6-25.4176.6-58.6-31.7000111.2Q597Q597-D602 HydrophobicContact CB-CB 4.04Å; Q597-D602 HydrophobicContact CG-CB 4.12Å; Q597-D602 PolarHBondContact O-N 3.48Å
603I94Very high95.3Very high18 Ų1858.5 Ų58.59%0.09232%0.32CS..  trans-128.5139.8176.761.1177.8000110.6Y594 Q597 G601 Y605 C606Y594-I603 HydrophobicContact CD1-CD1 3.77Å; Y594-I603 HydrophobicContact CE1-CD1 4.17Å; Q597-I603 HydrophobicContact CB-CD1 3.88Å; Q597-I603 HydrophobicContact CB-CG1 3.89Å; Q597-I603 HydrophobicContact CB-CG2 4.35Å; Q597-I603 VanDerWaalsContact OE1-CG2 3.31Å; G601-I603 PolarHBondContact O-N 2.68Å; I603-Y605 HydrophobicContact CB-CD1 4.21Å; I603-Y605 HydrophobicContact CB-CD2 4.44Å; I603-Y605 HydrophobicContact CB-CE1 3.73Å; I603-Y605 HydrophobicContact CB-CE2 4Å; I603-Y605 HydrophobicContact CD1-CD2 4.3Å; I603-Y605 HydrophobicContact CD1-CE2 3.8Å; I603-Y605 HydrophobicContact CG1-CE2 4.4Å; I603-Y605 HydrophobicContact CG2-CE1 3.89Å; I603-Y605 HydrophobicContact CG2-CE2 4.23Å; I603-Y605 VanDerWaalsContact CG2-OH 3.28Å; I603-Y605 WeakPolarHBondContact CG2-OH 3.14Å; I603-C606 WeakPolarHBondContact CD1-SG 3.33Å; I603-C606 WeakPolarHBondContact CG1-SG 3.32Å
604S93.1Very high95.1Very high121 Ų12162.2 Ų62.285%0.84634%0.335SS*.SBendtrans-95.4-2.7-177.565.40000114.1
605Y95.1Very high94.8Very high74 Ų7466.1 Ų66.129%0.2935%0.35SS..  trans-105.135.6-171.448.1-97.3000112.7I454 I455 P457 Y594 I603I454-Y605 HydrophobicContact CG2-CD2 4.04Å; I454-Y605 HydrophobicContact CG2-CE2 4.15Å; I455-Y605 PolarHBondContact N-O 2.87Å; I455-Y605 WeakPolarHBondContact O-CB 3.3Å; I455-Y605 WeakPolarHBondContact O-CD2 3.27Å; P457-Y605 HydrophobicContact CG-CD1 3.89Å; P457-Y605 HydrophobicContact CG-CD2 4.5Å; P457-Y605 HydrophobicContact CG-CE1 3.77Å; P457-Y605 HydrophobicContact CG-CE2 4.39Å; P457-Y605 HydrophobicContact CG-CG 4.25Å; Y594-Y605 HydrophobicContact CE1-CE2 4.47Å; I603-Y605 HydrophobicContact CB-CD1 4.21Å; I603-Y605 HydrophobicContact CB-CD2 4.44Å; I603-Y605 HydrophobicContact CB-CE1 3.73Å; I603-Y605 HydrophobicContact CB-CE2 4Å; I603-Y605 HydrophobicContact CD1-CD2 4.3Å; I603-Y605 HydrophobicContact CD1-CE2 3.8Å; I603-Y605 HydrophobicContact CG1-CE2 4.4Å; I603-Y605 HydrophobicContact CG2-CE1 3.89Å; I603-Y605 HydrophobicContact CG2-CE2 4.23Å; I603-Y605 VanDerWaalsContact CG2-OH 3.28Å; I603-Y605 WeakPolarHBondContact CG2-OH 3.14Å
606C95.9Very high94.4Very high28 Ų2872 Ų7219%0.18938%0.377CS..EExtended strand (participates in β ladder)trans-107.1128170.6-55.50000110.9L452 C598 I603 L608L452-C606 HydrophobicContact CD1-CB 4.17Å; C598-C606 HydrophobicContact CB-CB 3.74Å; C598-C606 WeakPolarHBondContact CB-SG 3.26Å; C598-C606 WeakPolarHBondContact SG-CB 3.46Å; C598-C606 CovalentContact SG-SG 2.04Å; C598-C606 PolarHBondContact SG-SG 2.91Å; I603-C606 WeakPolarHBondContact CD1-SG 3.33Å; I603-C606 WeakPolarHBondContact CG1-SG 3.32Å; C606-L608 HydrophobicContact CB-CD2 4.47Å
607E96.9Very high94.1Very high94 Ų9472.7 Ų72.744%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-114122170.6-66.6-179.1173.600109.1Y451 L452 K453 I455Y451-E607 HydrophobicContact CE2-CB 4.37Å; L452-E607 CarbonylContact C-O 3.56Å; L452-E607 WeakPolarHBondContact CA-O 3.12Å; K453-E607 HydrophobicContact CB-CB 4.41Å; K453-E607 PolarHBondContact N-O 2.98Å; K453-E607 PolarHBondContact O-N 2.86Å; I455-E607 VanDerWaalsContact CD1-CD 3.47Å; I455-E607 HydrophobicContact CD1-CG 4.05Å; I455-E607 WeakPolarHBondContact CD1-OE1 3.2Å
608L96.6Very high93.9Very high58 Ų5872.7 Ų72.730%0.30438%0.382SS..EExtended strand (participates in β ladder)trans-148.4150.7177.569.2149000113.3L444 Y451 L452 C606 A610 F612L444-L608 HydrophobicContact CD1-CD1 4.05Å; L444-L608 HydrophobicContact CD2-CD1 4.31Å; Y451-L608 VanDerWaalsContact O-CA 3.3Å; Y451-L608 WeakPolarHBondContact O-CA 3.47Å; Y451-L608 VanDerWaalsContact O-CB 3.31Å; Y451-L608 WeakPolarHBondContact O-CB 3.45Å; L452-L608 HydrophobicContact CB-CB 3.92Å; L452-L608 HydrophobicContact CD1-CB 3.8Å; L452-L608 HydrophobicContact CD1-CD2 3.98Å; L452-L608 HydrophobicContact CD1-CG 4.34Å; L452-L608 HydrophobicContact CG-CB 4.5Å; C606-L608 HydrophobicContact CB-CD2 4.47Å; L608-A610 HydrophobicContact CD1-CB 4.46Å; L608-F612 HydrophobicContact CD1-CE2 3.96Å; L608-F612 HydrophobicContact CD1-CZ 3.89Å
609N93.6Very high93.6Very high75 Ų7572.2 Ų72.240%0.40138%0.379SS..  trans-120.21.7162.468.8-18.1000112.1S449 M450 Y451S449-N609 PolarHBondContact O-ND2 3.13Å; M450-N609 VanDerWaalsContact CA-OD1 3.23Å; M450-N609 WeakPolarHBondContact CA-OD1 3.46Å; Y451-N609 VanDerWaalsContact CD1-OD1 3.22Å; Y451-N609 WeakPolarHBondContact CD1-OD1 3.28Å; Y451-N609 PolarHBondContact N-OD1 3.46Å; Y451-N609 PolarHBondContact O-N 2.87Å; Y451-N609 PolarHBondContact O-OD1 2.83Å
610A95.2Very high93.4Very high10 Ų1070.1 Ų70.18%0.08337%0.373CS..SBendtrans-65.2163.2169.700000111.7L444 Y446 M450 Y451 L608L444-A610 HydrophobicContact CD1-CB 4.34Å; L444-A610 HydrophobicContact CD2-CB 3.54Å; L444-A610 HydrophobicContact CG-CB 3.73Å; Y446-A610 HydrophobicContact CD1-CB 4.04Å; Y446-A610 HydrophobicContact CE1-CB 3.89Å; M450-A610 HydrophobicContact CB-CB 4Å; Y451-A610 PolarHBondContact O-N 3.24Å; L608-A610 HydrophobicContact CD1-CB 4.46Å
611R93.6Very high93.4Very high138 Ų13866.8 Ų66.852%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-116.3128.7-173.3-54.8-171.9-179.7-164.13.1112.2S445 M450 R615S445-R611 PolarHBondContact N-O 2.97Å; S445-R611 PolarHBondContact O-N 2.94Å; M450-R611 HydrophobicContact CE-CG 3.86Å; M450-R611 HydrophobicContact SD-CG 4.19Å; R611-R615 VanDerWaalsContact CB-NH2 3.33Å
612F95.6Very high93.4Very high75 Ų7564.1 Ų64.133%0.32933%0.329SS..EExtended strand (participates in β ladder)trans-65.3146174.3-65.4-70.6000112.6T442 V443 L444 K599 L608 R615T442-F612 HydrophobicContact CG2-CD1 3.54Å; T442-F612 HydrophobicContact CG2-CE1 3.81Å; V443-F612 WeakPolarHBondContact O-CA 3.38Å; L444-F612 HydrophobicContact CD1-CB 4.5Å; L444-F612 HydrophobicContact CD1-CD1 3.28Å; L444-F612 HydrophobicContact CD1-CD2 4.44Å; L444-F612 HydrophobicContact CD1-CE1 3.42Å; L444-F612 VanDerWaalsContact CD1-CE1 3.42Å; L444-F612 HydrophobicContact CD1-CG 3.84Å; L444-F612 HydrophobicContact CD1-CZ 4.08Å; K599-F612 HydrophobicContact CB-CD1 4.08Å; K599-F612 HydrophobicContact CB-CE1 3.54Å; K599-F612 HydrophobicContact CB-CZ 3.8Å; K599-F612 HydrophobicContact CD-CD1 4.27Å; K599-F612 HydrophobicContact CG-CD1 4.05Å; K599-F612 HydrophobicContact CG-CE1 3.99Å; K599-F612 HydrophobicContact CG-CG 4.38Å; K599-F612 HydrophobicContact CG-CZ 4.27Å; L608-F612 HydrophobicContact CD1-CE2 3.96Å; L608-F612 HydrophobicContact CD1-CZ 3.89Å; F612-R615 PolarHBondContact O-NH2 2.94Å
613G92.3Very high93.5Very high34 Ų3459.6 Ų59.635%0.35131%0.306SS..SBendtrans82153-179.900000113.4V443 S445V443-G613 PolarHBondContact O-N 3.31Å; S445-G613 PolarHBondContact OG-O 3.04Å
614M93.1Very high93.6Very high116 Ų11658.8 Ų58.857%0.57130%0.301SS*.  trans-70.8142.4178.3-164.7174.2-172.600111.1V443 M472V443-M614 HydrophobicContact CG1-CB 4.43Å; M472-M614 HydrophobicContact CE-CE 4.06Å; M472-M614 HydrophobicContact SD-CE 3.47Å; M472-M614 WeakPolarHBondContact SD-CE 3.45Å
615R89.6Confident93.5Very high96 Ų9656.9 Ų56.936%0.36228%0.276SS..  trans-155.9152.9-179.963.7-167.866.3-135.6-0.7110H583 R611 F612 I617H583-R615 PolarHBondContact CE1-O 3.39Å; H583-R615 PolarHBondContact NE2-O 2.99Å; R611-R615 VanDerWaalsContact CB-NH2 3.33Å; F612-R615 PolarHBondContact O-NH2 2.94Å; R615-I617 HydrophobicContact CG-CG1 4.37Å; R615-I617 PolarHBondContact O-N 3.49Å
616H88Confident93.3Very high126 Ų12655.7 Ų55.758%0.58328%0.276SS*.  trans-66.1128.7167.4-167.4-85.1000109.5I618H616-I618 VanDerWaalsContact CE1-CD1 3.4Å; H616-I618 WeakPolarHBondContact CE1-CD1 3.25Å
617I91.2Very high93.2Very high23 Ų2357.8 Ų57.812%0.11828%0.282CS..  trans-100.5124.7-177-62.3158.6000109Y446 D447 I581 G582 H583 R615 Q647Y446-I617 WeakPolarHBondContact O-CD1 3.31Å; D447-I617 HydrophobicContact CB-CG2 3.88Å; I581-I617 HydrophobicContact CG2-CG2 3.67Å; G582-I617 WeakPolarHBondContact O-CD1 3.15Å; H583-I617 VanDerWaalsContact CE1-CD1 3.49Å; H583-I617 WeakPolarHBondContact CE1-CD1 3.5Å; R615-I617 HydrophobicContact CG-CG1 4.37Å; R615-I617 PolarHBondContact O-N 3.49Å; I617-Q647 PolarHBondContact O-NE2 3.06Å; I617-Q647 PolarHBondContact O-OE1 2.9Å
618I91.7Very high93Very high47 Ų4755.6 Ų55.624%0.24128%0.284CS..  trans-122.9103.6167.9-58.5-62.8000105.7H616 P621 W703 A769H616-I618 VanDerWaalsContact CE1-CD1 3.4Å; H616-I618 WeakPolarHBondContact CE1-CD1 3.25Å; I618-P621 HydrophobicContact CG2-CB 4.03Å; I618-P621 HydrophobicContact CG2-CG 4.22Å; I618-W703 HydrophobicContact CD1-CB 4.13Å; I618-W703 HydrophobicContact CD1-CD2 3.74Å; I618-W703 HydrophobicContact CD1-CE3 4.32Å; I618-W703 HydrophobicContact CD1-CG 3.64Å; I618-W703 HydrophobicContact CG2-CH2 4.1Å; I618-W703 HydrophobicContact CG2-CZ2 3.7Å; I618-A769 HydrophobicContact CG2-CB 3.54Å
619A91.4Very high93Very high6 Ų652.8 Ų52.85%0.0527%0.27CS..  trans-92.1132.8-17500000111.6D447 I581 A769 S770D447-A619 HydrophobicContact CB-CB 4.28Å; D447-A619 WeakPolarHBondContact O-CB 3.33Å; I581-A619 HydrophobicContact CD1-CB 3.77Å; A619-A769 WeakPolarHBondContact O-CB 3.5Å; A619-S770 WeakPolarHBondContact CB-OG 3.5Å; A619-S770 PolarHBondContact N-OG 2.99Å; A619-S770 PolarHBondContact O-N 2.81Å
620D91.8Very high93.2Very high67 Ų6750.4 Ų50.436%0.35826%0.256SS..SBendtrans35.562.8178.2-165.233.4000114.5R793D620-R793 IonicContact OD1-NH1 3.94Å; D620-R793 PolarHBondContact OD1-NH1 3.22Å; D620-R793 IonicContact OD2-NH1 3.2Å; D620-R793 PolarHBondContact OD2-NH1 3.29Å
621P94.6Very high93.3Very high34 Ų3450 Ų5022%0.22125%0.252CS..  trans-64.5137.918026.2-33.1000111.6I618 W703 L768 A769 G794 C795I618-P621 HydrophobicContact CG2-CB 4.03Å; I618-P621 HydrophobicContact CG2-CG 4.22Å; P621-W703 HydrophobicContact CB-CH2 4.2Å; P621-W703 HydrophobicContact CB-CZ2 4.23Å; P621-L768 CarbonylContact C-O 3.53Å; P621-L768 WeakPolarHBondContact CA-O 3.48Å; P621-A769 HydrophobicContact CB-CB 4.09Å; P621-G794 WeakPolarHBondContact O-CA 3.38Å; P621-G794 PolarHBondContact O-N 3.29Å; P621-C795 HydrophobicContact CB-CB 3.91Å
622V95.3Very high93.4Very high0 Ų043.4 Ų43.40%023%0.227CC..EExtended strand (participates in β ladder)trans-131.3133.3179.61740000110.3F624 C767 L768 L780 I781 V791 E792V622-F624 HydrophobicContact CG1-CE2 4.16Å; V622-C767 CarbonylContact O-C 3.42Å; V622-C767 VanDerWaalsContact O-CA 3.23Å; V622-C767 WeakPolarHBondContact O-CA 3.5Å; V622-L768 PolarHBondContact N-O 3.42Å; V622-L768 PolarHBondContact O-N 3.03Å; V622-L780 HydrophobicContact CB-CD1 4.02Å; V622-L780 HydrophobicContact CG1-CD1 4.49Å; V622-L780 HydrophobicContact CG2-CB 4.15Å; V622-L780 HydrophobicContact CG2-CD1 4.1Å; V622-I781 HydrophobicContact CG1-CD1 4.19Å; V622-I781 HydrophobicContact CG1-CG1 4.15Å; V622-I781 HydrophobicContact CG2-CD1 4.33Å; V622-I781 HydrophobicContact CG2-CG1 4.26Å; V622-V791 HydrophobicContact CG1-CG1 3.34Å; V622-E792 CarbonylContact C-O 3.57Å; V622-E792 WeakPolarHBondContact CA-O 3.29Å
623T95.2Very high93.5Very high12 Ų1240.1 Ų40.17%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-100.9128.5-178.8-67.10000111.7R625 C767 V791 E792 G794 W817T623-R625 HydrophobicContact CG2-CG 4.06Å; T623-C767 PolarHBondContact OG1-SG 3.48Å; T623-V791 VanDerWaalsContact O-CA 3.29Å; T623-V791 WeakPolarHBondContact O-CA 3.43Å; T623-E792 PolarHBondContact N-O 3.39Å; T623-E792 PolarHBondContact O-N 3.41Å; T623-G794 PolarHBondContact N-O 2.77Å; T623-G794 PolarHBondContact OG1-O 2.92Å; T623-W817 HydrophobicContact CG2-CZ2 3.72Å
624F95.1Very high93.6Very high0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-99.8100.9168.2-63.8-100.7000108.3V622 T626 L631 I743 Y764 G766 L768 V791V622-F624 HydrophobicContact CG1-CE2 4.16Å; F624-T626 PolarHBondContact O-N 2.84Å; F624-L631 HydrophobicContact CE1-CD1 4.11Å; F624-L631 HydrophobicContact CE1-CG 4.01Å; F624-L631 HydrophobicContact CZ-CD1 3.85Å; F624-L631 HydrophobicContact CZ-CG 4.25Å; F624-I743 WeakPolarHBondContact CE1-O 3.37Å; F624-I743 HydrophobicContact CZ-CG2 3.82Å; F624-Y764 HydrophobicContact CD2-CD1 4.37Å; F624-G766 PolarHBondContact N-O 2.84Å; F624-G766 PolarHBondContact O-N 2.89Å; F624-G766 VanDerWaalsContact O-N 3.1Å; F624-L768 HydrophobicContact CD2-CD1 4.44Å; F624-L768 HydrophobicContact CD2-CG 4.42Å; F624-L768 HydrophobicContact CE2-CB 4.21Å; F624-L768 HydrophobicContact CE2-CD1 3.71Å; F624-L768 HydrophobicContact CE2-CG 3.99Å; F624-L768 HydrophobicContact CZ-CD1 4.2Å; F624-V791 HydrophobicContact CD1-CG1 4.43Å; F624-V791 HydrophobicContact CD1-CG2 3.83Å; F624-V791 HydrophobicContact CE1-CG1 4.29Å; F624-V791 HydrophobicContact CE1-CG2 4.06Å; F624-V791 HydrophobicContact CZ-CG1 4.44Å
625R90.9Very high93.6Very high81 Ų8137.2 Ų37.231%0.30620%0.2SC..  trans-69.7-32.5-170.3-72.9-166.9175.8-88.8-5.7113.8T623 Q765 Q790 E792T623-R625 HydrophobicContact CG2-CG 4.06Å; R625-Q765 WeakPolarHBondContact O-CG 3.29Å; R625-Q765 PolarHBondContact O-NE2 3.28Å; R625-Q790 HydrophobicContact CB-CB 3.85Å; R625-Q790 WeakPolarHBondContact CB-O 3.02Å; R625-Q790 HydrophobicContact CG-CB 4.19Å; R625-Q790 PolarHBondContact N-O 3.28Å; R625-E792 IonicContact CZ-OE1 3.86Å; R625-E792 IonicContact CZ-OE2 3.25Å; R625-E792 VanDerWaalsContact CZ-OE2 3.29Å; R625-E792 IonicContact NE-OE1 2.93Å; R625-E792 PolarHBondContact NE-OE1 2.8Å; R625-E792 IonicContact NE-OE2 3.69Å; R625-E792 PolarHBondContact NE-OE2 3.09Å; R625-E792 IonicContact NH2-OE1 3.2Å; R625-E792 IonicContact NH2-OE2 2.62Å; R625-E792 PolarHBondContact NH2-OE2 3.42Å
626T91.4Very high93.7Very high49 Ų4933 Ų3330%0.30118%0.184SC..SBendtrans-128.2153.5-176.873.70000110.7F624 G628 S629F624-T626 PolarHBondContact O-N 2.84Å; T626-G628 PolarHBondContact O-N 3.4Å; T626-G628 PolarHBondContact OG1-N 2.93Å; T626-S629 VanDerWaalsContact O-CB 3.25Å; T626-S629 WeakPolarHBondContact O-CB 3.41Å; T626-S629 PolarHBondContact O-N 3.4Å; T626-S629 PolarHBondContact O-OG 2.98Å; T626-S629 PolarHBondContact OG1-N 2.85Å; T626-S629 PolarHBondContact OG1-OG 2.83Å
627K93.4Very high93.7Very high73 Ų7333 Ų3332%0.31719%0.185SC..THydrogen-bonded Turntrans-63.3-11175.3-57.7-170.8179-171.60114.6D762 G763 Q765K627-D762 HydrophobicContact CB-CB 4Å; K627-D762 HydrophobicContact CD-CB 3.81Å; K627-G763 WeakPolarHBondContact CB-O 3.33Å; K627-G763 WeakPolarHBondContact O-CA 3.43Å; K627-G763 PolarHBondContact O-N 2.96Å; K627-Q765 HydrophobicContact CG-CB 3.94Å
628G93.8Very high93Very high47 Ų4732 Ų3249%0.48518%0.18SC..THydrogen-bonded Turntrans-92.6-3.6172.500000113.6T626T626-G628 PolarHBondContact O-N 3.4Å; T626-G628 PolarHBondContact OG1-N 2.93Å
629S95.8Very high92.1Very high0 Ų036 Ų360%019%0.193CC..  trans-84.5132.2-177.8-580000110.4T626 G744 V788 Q790T626-S629 VanDerWaalsContact O-CB 3.25Å; T626-S629 WeakPolarHBondContact O-CB 3.41Å; T626-S629 PolarHBondContact O-N 3.4Å; T626-S629 PolarHBondContact O-OG 2.98Å; T626-S629 PolarHBondContact OG1-N 2.85Å; T626-S629 PolarHBondContact OG1-OG 2.83Å; S629-G744 CarbonylContact O-C 3.58Å; S629-V788 CarbonylContact C-O 3.56Å; S629-V788 VanDerWaalsContact CA-O 3.23Å; S629-V788 WeakPolarHBondContact CA-O 3.38Å; S629-Q790 PolarHBondContact OG-N 3.41Å; S629-Q790 PolarHBondContact OG-O 2.03Å
630Y97.4Very high91.2Very high25 Ų2538.4 Ų38.410%0.09821%0.213CC..EExtended strand (participates in β ladder)trans-155.5164.4176.870.4-92.1000112Y742 I743 G745 T747 V788Y630-Y742 AromaticContact CD2-CD1 3.82Å; Y630-Y742 HydrophobicContact CD2-CD1 3.82Å; Y630-Y742 HydrophobicContact CD2-CE1 4.34Å; Y630-Y742 AromaticContact CE2-CD1 3.85Å; Y630-Y742 HydrophobicContact CE2-CD1 3.85Å; Y630-Y742 AromaticContact CE2-CE1 3.89Å; Y630-Y742 HydrophobicContact CE2-CE1 3.89Å; Y630-I743 CarbonylContact C-O 3.43Å; Y630-I743 VanDerWaalsContact CA-O 3.3Å; Y630-I743 WeakPolarHBondContact CA-O 3.46Å; Y630-I743 WeakPolarHBondContact CB-O 3.09Å; Y630-G745 WeakPolarHBondContact CB-O 3.24Å; Y630-T747 WeakPolarHBondContact OH-CG2 3.39Å; Y630-V788 HydrophobicContact CD1-CB 3.9Å; Y630-V788 HydrophobicContact CD1-CG1 4.13Å; Y630-V788 HydrophobicContact CE1-CB 3.52Å; Y630-V788 HydrophobicContact CE1-CG1 3.57Å; Y630-V788 HydrophobicContact CE1-CG2 3.91Å; Y630-V788 HydrophobicContact CE2-CB 4.19Å; Y630-V788 HydrophobicContact CE2-CG2 3.97Å; Y630-V788 HydrophobicContact CG-CB 4.38Å; Y630-V788 PolarHBondContact N-O 2.79Å; Y630-V788 PolarHBondContact O-N 3.41Å; Y630-V788 WeakPolarHBondContact OH-CG2 3.21Å
631L97.8Very high90.9Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-121.2142.1174.3-61.5169.3000109.4F624 Y742 I743 L780 A784 H786 K787 V791F624-L631 HydrophobicContact CE1-CD1 4.11Å; F624-L631 HydrophobicContact CE1-CG 4.01Å; F624-L631 HydrophobicContact CZ-CD1 3.85Å; F624-L631 HydrophobicContact CZ-CG 4.25Å; L631-Y742 CarbonylContact O-C 3.41Å; L631-Y742 WeakPolarHBondContact O-CA 2.99Å; L631-I743 HydrophobicContact CB-CB 4.49Å; L631-I743 PolarHBondContact N-O 3.08Å; L631-I743 PolarHBondContact O-N 2.76Å; L631-L780 HydrophobicContact CD1-CB 3.75Å; L631-L780 WeakPolarHBondContact CD1-O 3.34Å; L631-A784 HydrophobicContact CB-CB 4.42Å; L631-A784 HydrophobicContact CD2-CB 3.9Å; L631-H786 WeakPolarHBondContact CA-O 3.28Å; L631-K787 HydrophobicContact CD2-CB 3.86Å; L631-K787 HydrophobicContact CD2-CG 3.85Å; L631-V791 HydrophobicContact CD1-CG1 4.02Å; L631-V791 HydrophobicContact CD2-CB 4.39Å; L631-V791 HydrophobicContact CD2-CG1 4.26Å; L631-V791 HydrophobicContact CD2-CG2 4.28Å; L631-V791 HydrophobicContact CG-CG1 4.26Å; L631-V791 HydrophobicContact CG-CG2 4.37Å
632A96.8Very high90.7Very high0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-109.2126169.800000109.4E740 L741 Y742 A784 L785 H786A632-E740 HydrophobicContact CB-CB 4.16Å; A632-L741 CarbonylContact C-O 3.58Å; A632-L741 WeakPolarHBondContact CA-O 3.16Å; A632-Y742 HydrophobicContact CB-CD1 4.2Å; A632-Y742 HydrophobicContact CB-CE1 3.99Å; A632-A784 CarbonylContact O-C 3.51Å; A632-A784 WeakPolarHBondContact O-CA 3.36Å; A632-L785 WeakPolarHBondContact O-CB 3.4Å; A632-L785 PolarHBondContact O-N 3.12Å; A632-H786 HydrophobicContact CB-CB 3.98Å; A632-H786 PolarHBondContact N-O 2.98Å; A632-H786 PolarHBondContact O-N 3.38Å
633L96.4Very high90.5Very high6 Ų636.7 Ų36.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-114.8170.1179-64171.6000110.4E740 L741 I743 L773 P778 L780 D783 A784L633-E740 WeakPolarHBondContact O-CA 2.97Å; L633-L741 HydrophobicContact CB-CB 4.21Å; L633-L741 HydrophobicContact CB-CD2 4.43Å; L633-L741 HydrophobicContact CD1-CD2 4.38Å; L633-L741 PolarHBondContact N-O 3.2Å; L633-L741 PolarHBondContact O-N 3.16Å; L633-I743 HydrophobicContact CD1-CG1 3.8Å; L633-L773 HydrophobicContact CD1-CD1 3.98Å; L633-P778 HydrophobicContact CD1-CB 4.32Å; L633-P778 HydrophobicContact CD1-CG 4.25Å; L633-L780 HydrophobicContact CD1-CD2 3.95Å; L633-D783 HydrophobicContact CD2-CB 4.15Å; L633-A784 HydrophobicContact CD2-CB 4.49Å
634A94.6Very high90.5Very high48 Ų4836.3 Ų36.340%0.39720%0.201SC..SBendtrans-58.2150.5170.400000111.5L636 L741A634-L636 PolarHBondContact O-N 2.04Å; A634-L741 WeakPolarHBondContact O-CB 3.27Å
635T94.1Very high90.5Very high42 Ų4236.7 Ų36.726%0.25820%0.203SC..PPolyproline II helixtrans-51.4133-178-44.70000112.1Q637 L737 G739T635-Q637 PolarHBondContact O-N 2.85Å; T635-Q637 PolarHBondContact O-NE2 2.02Å; T635-L737 HydrophobicContact CG2-CB 3.88Å; T635-G739 WeakPolarHBondContact CA-O 3.49Å; T635-G739 VanDerWaalsContact CB-O 3.28Å; T635-G739 WeakPolarHBondContact CB-O 3.42Å; T635-G739 WeakPolarHBondContact CG2-O 3.25Å; T635-G739 PolarHBondContact OG1-O 2.89Å
636L91Very high90.8Very high7 Ų733.3 Ų33.34%0.03719%0.191CC..PPolyproline II helixtrans-61.3124.5175.817767.1000110.7A634 A638 M642 L644 N660 I668 L737 L741 L773 N774A634-L636 PolarHBondContact O-N 2.04Å; L636-A638 HydrophobicContact CD2-CB 4.06Å; L636-A638 HydrophobicContact CG-CB 3.98Å; L636-A638 PolarHBondContact O-N 3.39Å; L636-M642 HydrophobicContact CD2-SD 4.19Å; L636-L644 HydrophobicContact CD1-CD2 3.75Å; L636-L644 HydrophobicContact CD2-CD1 4.27Å; L636-L644 HydrophobicContact CD2-CD2 3.95Å; L636-N660 PolarHBondContact N-OD1 2.02Å; L636-N660 VanDerWaalsContact N-OD1 3.09Å; L636-I668 HydrophobicContact CD2-CG2 4.39Å; L636-L737 HydrophobicContact CB-CD1 3.75Å; L636-L737 HydrophobicContact CD2-CD1 3.82Å; L636-L737 HydrophobicContact CG-CD1 4.05Å; L636-L741 HydrophobicContact CB-CD1 4.46Å; L636-L741 HydrophobicContact CB-CD2 4.39Å; L636-L773 HydrophobicContact CD1-CB 3.93Å; L636-N774 HydrophobicContact CD1-CB 4.36Å
637Q87.4Confident91.1Very high126 Ų12631.2 Ų31.259%0.58918%0.177SC*.  trans-86.487.5178.6-59.7-59.5-56.100109.7T635 N774T635-Q637 PolarHBondContact O-N 2.85Å; T635-Q637 PolarHBondContact O-NE2 2.02Å; Q637-N774 PolarHBondContact O-ND2 2.98Å
638A77.3Confident91.3Very high3 Ų327.7 Ų27.73%0.02516%0.162CC..  trans-127.360-172.700000113.3L636 M642 L735 L737L636-A638 HydrophobicContact CD2-CB 4.06Å; L636-A638 HydrophobicContact CG-CB 3.98Å; L636-A638 PolarHBondContact O-N 3.39Å; A638-M642 HydrophobicContact CB-CB 4.09Å; A638-M642 HydrophobicContact CB-CG 3.85Å; A638-M642 HydrophobicContact CB-SD 4.02Å; A638-L735 HydrophobicContact CB-CD2 4.1Å; A638-L735 WeakPolarHBondContact O-CB 3Å; A638-L737 HydrophobicContact CB-CD1 4.35Å
639Y71.4Confident91.4Very high131 Ų13127.3 Ų27.351%0.51415%0.147SC..SBendtrans-70.7-82.8-175-92.3-82.6000114.8R710 N734 L735 D736Y639-R710 PolarHBondContact O-NH2 3.39Å; Y639-N734 WeakPolarHBondContact O-CA 3.34Å; Y639-L735 PolarHBondContact O-N 2.91Å; Y639-D736 WeakPolarHBondContact CE1-OD1 3.49Å
640A73.5Confident91.4Very high55 Ų5527.3 Ų27.346%0.45515%0.147SC..SBendtrans-91.7-29.9-170.100000113.4R710A640-R710 PolarHBondContact O-NH1 3.34Å; A640-R710 PolarHBondContact O-NH2 2.97Å
641S84.7Confident91.2Very high39 Ų3926.9 Ų26.927%0.27315%0.147SC..  trans-144.5155176.253.50000108.4R710 N774S641-R710 CarbonylContact C-O 3.53Å; S641-R710 VanDerWaalsContact CA-O 3.25Å; S641-R710 WeakPolarHBondContact CA-O 3.37Å; S641-R710 WeakPolarHBondContact CB-O 3.46Å; S641-N774 PolarHBondContact O-ND2 2.94Å
642M90.5Very high91Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-138.1134.3-177.4-178-174.572.300109.3L636 A638 L644 I668 V708 S709 R710 L735 N774L636-M642 HydrophobicContact CD2-SD 4.19Å; A638-M642 HydrophobicContact CB-CB 4.09Å; A638-M642 HydrophobicContact CB-CG 3.85Å; A638-M642 HydrophobicContact CB-SD 4.02Å; M642-L644 HydrophobicContact CE-CD1 4.36Å; M642-L644 HydrophobicContact CG-CD2 4.34Å; M642-L644 HydrophobicContact CG-CG 4.1Å; M642-L644 HydrophobicContact SD-CD1 4.11Å; M642-L644 HydrophobicContact SD-CG 4.24Å; M642-I668 HydrophobicContact CE-CD1 3.5Å; M642-I668 HydrophobicContact SD-CD1 3.36Å; M642-I668 WeakPolarHBondContact SD-CD1 3.41Å; M642-V708 HydrophobicContact CE-CG1 3.95Å; M642-S709 CarbonylContact O-C 3.59Å; M642-S709 WeakPolarHBondContact O-CA 3.48Å; M642-S709 VanDerWaalsContact O-CB 3.27Å; M642-S709 WeakPolarHBondContact O-CB 3.29Å; M642-R710 HydrophobicContact CB-CB 4.34Å; M642-R710 PolarHBondContact N-O 3.42Å; M642-R710 PolarHBondContact O-N 3.48Å; M642-L735 HydrophobicContact SD-CD2 4.16Å; M642-N774 WeakPolarHBondContact CA-OD1 3.49Å
643H92Very high90.9Very high27 Ų2729.8 Ų29.813%0.12517%0.166CC..EExtended strand (participates in β ladder)trans-133.3112170.9-61.7-91.5000109.3A476 Y477 N774A476-H643 HydrophobicContact CB-CB 3.75Å; Y477-H643 HydrophobicContact CE2-CB 4.05Å; H643-N774 PolarHBondContact N-OD1 2.73Å; H643-N774 WeakPolarHBondContact O-CA 3.45Å; H643-N774 PolarHBondContact O-N 3.03Å
644L95.1Very high90.9Very high3 Ų332.7 Ų32.72%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-110.5136.2172.2-52.4178.7000108.4L636 M642 L658 I668 V707 V708 D772 L773L636-L644 HydrophobicContact CD1-CD2 3.75Å; L636-L644 HydrophobicContact CD2-CD1 4.27Å; L636-L644 HydrophobicContact CD2-CD2 3.95Å; M642-L644 HydrophobicContact CE-CD1 4.36Å; M642-L644 HydrophobicContact CG-CD2 4.34Å; M642-L644 HydrophobicContact CG-CG 4.1Å; M642-L644 HydrophobicContact SD-CD1 4.11Å; M642-L644 HydrophobicContact SD-CG 4.24Å; L644-L658 HydrophobicContact CD1-CD1 4.33Å; L644-I668 HydrophobicContact CD1-CD1 3.9Å; L644-V707 WeakPolarHBondContact O-CA 3.24Å; L644-V708 HydrophobicContact CB-CB 4.19Å; L644-V708 HydrophobicContact CD1-CB 4.48Å; L644-V708 PolarHBondContact N-O 2.78Å; L644-V708 PolarHBondContact O-N 3.02Å; L644-D772 WeakPolarHBondContact CA-O 3.08Å; L644-L773 HydrophobicContact CD2-CD2 4.22Å
645F95.8Very high91Very high8 Ų830.4 Ų30.44%0.03516%0.163CC..EExtended strand (participates in β ladder)trans-136.6138.2170.8168-107.1000109Q474 R475 Q647 N705 V706 V707 S770 V771 D772Q474-F645 HydrophobicContact CB-CD2 4.32Å; Q474-F645 HydrophobicContact CB-CE1 4.5Å; Q474-F645 HydrophobicContact CB-CE2 3.9Å; Q474-F645 HydrophobicContact CB-CZ 3.99Å; R475-F645 HydrophobicContact CG-CD1 3.94Å; R475-F645 HydrophobicContact CG-CE1 4.43Å; F645-Q647 HydrophobicContact CE2-CG 4.45Å; F645-Q647 HydrophobicContact CZ-CG 3.95Å; F645-N705 HydrophobicContact CE2-CB 4.25Å; F645-V706 WeakPolarHBondContact CA-O 3.18Å; F645-V707 HydrophobicContact CD2-CG2 3.9Å; F645-S770 VanDerWaalsContact CD1-O 3.27Å; F645-S770 WeakPolarHBondContact CD1-O 3.47Å; F645-V771 CarbonylContact O-C 3.57Å; F645-V771 WeakPolarHBondContact O-CA 3.38Å; F645-D772 HydrophobicContact CB-CB 4.11Å; F645-D772 PolarHBondContact N-O 3.05Å; F645-D772 VanDerWaalsContact N-O 3.09Å; F645-D772 PolarHBondContact O-N 3.28Å
646F97.4Very high91.2Very high11 Ų1128.5 Ų28.55%0.04815%0.151CC..EExtended strand (participates in β ladder)trans-159.3164.3168.261.6-86.8000109.6F648 M657 V670 V706 L768 V771F646-F648 HydrophobicContact CD2-CB 4.45Å; F646-F648 HydrophobicContact CE2-CB 4.39Å; F646-F648 HydrophobicContact CE2-CD1 4.24Å; F646-M657 HydrophobicContact CE2-SD 3.8Å; F646-M657 HydrophobicContact CZ-SD 4.18Å; F646-V670 HydrophobicContact CE1-CG1 4.34Å; F646-V670 HydrophobicContact CZ-CB 4.41Å; F646-V670 HydrophobicContact CZ-CG1 3.83Å; F646-V706 HydrophobicContact CD1-CB 4.39Å; F646-V706 HydrophobicContact CD2-CB 4.35Å; F646-V706 HydrophobicContact CE1-CB 4Å; F646-V706 HydrophobicContact CE1-CG1 3.83Å; F646-V706 HydrophobicContact CE2-CB 3.95Å; F646-V706 HydrophobicContact CE2-CG1 4.39Å; F646-V706 HydrophobicContact CE2-CG2 3.97Å; F646-V706 HydrophobicContact CZ-CB 3.77Å; F646-V706 HydrophobicContact CZ-CG1 3.72Å; F646-V706 HydrophobicContact CZ-CG2 4.1Å; F646-V706 PolarHBondContact N-O 3.25Å; F646-V706 VanDerWaalsContact N-O 3.07Å; F646-V706 PolarHBondContact O-N 3.23Å; F646-L768 HydrophobicContact CD2-CD2 4Å; F646-L768 HydrophobicContact CE2-CD2 4.27Å; F646-V771 HydrophobicContact CB-CB 4.44Å; F646-V771 HydrophobicContact CB-CG2 3.93Å
647Q97.2Very high91.5Very high4 Ų428.2 Ų28.22%0.01915%0.149CC..EExtended strand (participates in β ladder)trans-113.7144.6172.2-64173-54.900109I617 F645 W703 H704 N705 L768 A769 S770I617-Q647 PolarHBondContact O-NE2 3.06Å; I617-Q647 PolarHBondContact O-OE1 2.9Å; F645-Q647 HydrophobicContact CE2-CG 4.45Å; F645-Q647 HydrophobicContact CZ-CG 3.95Å; Q647-W703 HydrophobicContact CB-CE3 3.76Å; Q647-W703 HydrophobicContact CB-CZ3 4.04Å; Q647-H704 WeakPolarHBondContact CA-O 3.4Å; Q647-N705 VanDerWaalsContact CG-OD1 3.26Å; Q647-N705 WeakPolarHBondContact CG-OD1 3.2Å; Q647-N705 PolarHBondContact NE2-OD1 2.65Å; Q647-L768 CarbonylContact O-C 3.42Å; Q647-L768 WeakPolarHBondContact O-CA 3.4Å; Q647-A769 HydrophobicContact CB-CB 4.33Å; Q647-A769 PolarHBondContact N-O 2.93Å; Q647-A769 PolarHBondContact O-N 3.05Å; Q647-S770 PolarHBondContact OE1-OG 2.81Å
648F97.6Very high92Very high0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-135.5154.2175.880.3-88000111.6F646 T650 M657 L672 V677 L698 W703 H704 V706 Y764 C767 L768F646-F648 HydrophobicContact CD2-CB 4.45Å; F646-F648 HydrophobicContact CE2-CB 4.39Å; F646-F648 HydrophobicContact CE2-CD1 4.24Å; F648-T650 HydrophobicContact CD2-CG2 4.02Å; F648-T650 HydrophobicContact CE2-CG2 3.98Å; F648-M657 HydrophobicContact CB-SD 4.41Å; F648-M657 HydrophobicContact CD1-CE 4.19Å; F648-M657 HydrophobicContact CD1-SD 4.39Å; F648-M657 HydrophobicContact CD2-CE 3.69Å; F648-M657 HydrophobicContact CE1-CE 4.32Å; F648-M657 HydrophobicContact CE2-CE 3.84Å; F648-M657 HydrophobicContact CG-CE 3.87Å; F648-M657 HydrophobicContact CG-SD 4.22Å; F648-M657 HydrophobicContact CZ-CE 4.14Å; F648-L672 HydrophobicContact CE2-CD1 4.28Å; F648-L672 HydrophobicContact CZ-CD1 4.17Å; F648-V677 HydrophobicContact CE1-CG2 3.68Å; F648-V677 HydrophobicContact CZ-CG2 3.81Å; F648-L698 HydrophobicContact CE2-CB 4.19Å; F648-L698 HydrophobicContact CZ-CB 3.71Å; F648-L698 HydrophobicContact CZ-CD1 4.06Å; F648-W703 VanDerWaalsContact C-CE3 3.47Å; F648-W703 WeakPolarHBondContact O-CA 3.49Å; F648-H704 HydrophobicContact CD1-CB 4.17Å; F648-H704 HydrophobicContact CE1-CB 3.69Å; F648-H704 HydrophobicContact CZ-CB 3.97Å; F648-H704 PolarHBondContact N-O 2.88Å; F648-H704 PolarHBondContact O-N 3.44Å; F648-V706 HydrophobicContact CD1-CG2 3.58Å; F648-V706 HydrophobicContact CE1-CG2 3.5Å; F648-Y764 HydrophobicContact CD2-CE2 4.24Å; F648-C767 VanDerWaalsContact CA-O 3.29Å; F648-C767 WeakPolarHBondContact CA-O 3.42Å; F648-L768 HydrophobicContact CB-CD2 3.6Å
649K96.2Very high93Very high38 Ų3823 Ų2317%0.16512%0.124CC..EExtended strand (participates in β ladder)trans-143.6121.4175.3170.4170.8166.6161.90109.4N701 Q702 W703 Y764 G766 C767K649-N701 WeakPolarHBondContact CD-O 3.17Å; K649-N701 WeakPolarHBondContact CE-O 3.25Å; K649-N701 WeakPolarHBondContact CE-OD1 3.44Å; K649-N701 PolarHBondContact NZ-O 2.88Å; K649-Q702 WeakPolarHBondContact CA-O 3.27Å; K649-Q702 WeakPolarHBondContact CB-O 3.38Å; K649-W703 HydrophobicContact CB-CD2 3.78Å; K649-W703 HydrophobicContact CB-CE3 3.78Å; K649-W703 HydrophobicContact CB-CG 4.31Å; K649-W703 HydrophobicContact CB-CH2 4.4Å; K649-W703 HydrophobicContact CB-CZ2 4.39Å; K649-W703 HydrophobicContact CB-CZ3 4.1Å; K649-W703 HydrophobicContact CD-CD2 4.37Å; K649-W703 HydrophobicContact CD-CG 4.42Å; K649-Y764 PolarHBondContact N-OH 3.37Å; K649-Y764 PolarHBondContact O-OH 2.9Å; K649-G766 CarbonylContact O-C 3.14Å; K649-G766 WeakPolarHBondContact O-CA 3.44Å; K649-C767 HydrophobicContact CB-CB 4.4Å; K649-C767 PolarHBondContact N-O 2.84Å; K649-C767 PolarHBondContact O-N 3.33Å
650T95.3Very high94.1Very high0 Ų016.7 Ų16.70%010%0.1CC..  trans-150.6160.3-176.8-173.60000112.1F648 T652 L672 N699 N701 Y764 Q765F648-T650 HydrophobicContact CD2-CG2 4.02Å; F648-T650 HydrophobicContact CE2-CG2 3.98Å; T650-T652 PolarHBondContact OG1-N 2.86Å; T650-T652 PolarHBondContact OG1-OG1 3.05Å; T650-L672 HydrophobicContact CG2-CD2 3.72Å; T650-N699 HydrophobicContact CG2-CB 4.12Å; T650-N699 CarbonylContact O-C 3.57Å; T650-N699 VanDerWaalsContact O-CA 3.27Å; T650-N699 WeakPolarHBondContact O-CA 3.26Å; T650-N701 WeakPolarHBondContact O-CA 3.45Å; T650-N701 PolarHBondContact O-N 2.76Å; T650-Y764 HydrophobicContact CG2-CE2 3.89Å; T650-Q765 WeakPolarHBondContact CB-O 2.99Å; T650-Q765 PolarHBondContact OG1-O 2.8Å
651T92.8Very high95Very high17 Ų1716.1 Ų16.110%0.1049%0.092CC..SBendtrans-105.1-11.9165.958.80000112.2N699 N701 Q815 W817T651-N699 PolarHBondContact O-ND2 3.4Å; T651-N701 HydrophobicContact CG2-CB 3.95Å; T651-Q815 HydrophobicContact CG2-CG 4Å; T651-W817 PolarHBondContact OG1-N 2.96Å
652T93.7Very high95.1Very high9 Ų915 Ų156%0.0559%0.086CC..  trans-84.8134.5-177.263.20000111T650 L672 N699 Q765T650-T652 PolarHBondContact OG1-N 2.86Å; T650-T652 PolarHBondContact OG1-OG1 3.05Å; T652-L672 WeakPolarHBondContact O-CD2 3.49Å; T652-N699 WeakPolarHBondContact O-CB 3.38Å; T652-Q765 HydrophobicContact CG2-CB 4.07Å; T652-Q765 HydrophobicContact CG2-CG 4.42Å; T652-Q765 PolarHBondContact OG1-O 2.94Å
653P95.1Very high94.6Very high52 Ų5219.3 Ų19.334%0.33811%0.109SC..SBendtrans-80.7-17-177.630.2-34.9000113.9L672 V673 K674 G675P653-L672 WeakPolarHBondContact O-CG 3.42Å; P653-V673 CarbonylContact O-C 3.59Å; P653-K674 PolarHBondContact O-N 3.1Å; P653-K674 VanDerWaalsContact O-N 3.08Å; P653-G675 PolarHBondContact O-N 2.66Å
654D96.9Very high94.2Very high66 Ų6621.8 Ų21.835%0.35314%0.142SC..  trans-136.8136.7-174.7-57.1-79.4000110.9L672 V673 K674D654-L672 VanDerWaalsContact CA-O 3.29Å; D654-L672 WeakPolarHBondContact CA-O 3.29Å; D654-V673 WeakPolarHBondContact OD1-CA 3.45Å; D654-K674 PolarHBondContact OD1-N 2.85Å
655G96.8Very high93.7Very high1 Ų127.6 Ų27.61%0.0117%0.174CC..EExtended strand (participates in β ladder)trans169.6144.1175.100000114.4M657 L672G655-M657 PolarHBondContact O-N 3.48Å; G655-L672 PolarHBondContact N-O 2.73Å; G655-L672 PolarHBondContact O-N 3.16Å
656L98Very high93.4Very high1 Ų128.2 Ų28.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-77117.7177.1-175.965.5000111F659 V669 E671 G744 G745 V746 Y751 L754 S760 D762 Y764L656-F659 HydrophobicContact CD1-CB 4.4Å; L656-F659 HydrophobicContact CD2-CB 4.11Å; L656-F659 HydrophobicContact CG-CB 4.49Å; L656-V669 HydrophobicContact CD1-CG1 3.62Å; L656-E671 HydrophobicContact CD1-CB 4.23Å; L656-G744 CarbonylContact O-C 3.53Å; L656-G745 PolarHBondContact O-N 3.1Å; L656-V746 HydrophobicContact CD2-CB 4.4Å; L656-V746 HydrophobicContact CD2-CG1 3.77Å; L656-V746 HydrophobicContact CD2-CG2 3.95Å; L656-Y751 HydrophobicContact CB-CE1 4.38Å; L656-Y751 HydrophobicContact CD2-CE1 4.07Å; L656-L754 HydrophobicContact CD2-CD1 4.39Å; L656-S760 PolarHBondContact N-OG 3.31Å; L656-D762 PolarHBondContact N-O 3.3Å; L656-Y764 VanDerWaalsContact O-CB 3.24Å; L656-Y764 WeakPolarHBondContact O-CB 3.49Å; L656-Y764 PolarHBondContact O-N 3.35Å; L656-Y764 VanDerWaalsContact O-N 3.12Å
657M97.9Very high93.1Very high2 Ų228.1 Ų28.11%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-94.6-42.3-178.4-59.6-170.9-17100113.1F646 F648 G655 V670 L672 I743 G744 Y764F646-M657 HydrophobicContact CE2-SD 3.8Å; F646-M657 HydrophobicContact CZ-SD 4.18Å; F648-M657 HydrophobicContact CB-SD 4.41Å; F648-M657 HydrophobicContact CD1-CE 4.19Å; F648-M657 HydrophobicContact CD1-SD 4.39Å; F648-M657 HydrophobicContact CD2-CE 3.69Å; F648-M657 HydrophobicContact CE1-CE 4.32Å; F648-M657 HydrophobicContact CE2-CE 3.84Å; F648-M657 HydrophobicContact CG-CE 3.87Å; F648-M657 HydrophobicContact CG-SD 4.22Å; F648-M657 HydrophobicContact CZ-CE 4.14Å; G655-M657 PolarHBondContact O-N 3.48Å; M657-V670 WeakPolarHBondContact CA-O 3.34Å; M657-V670 WeakPolarHBondContact CB-O 3.39Å; M657-V670 PolarHBondContact N-O 3.3Å; M657-L672 HydrophobicContact CE-CB 3.75Å; M657-L672 HydrophobicContact CE-CD1 3.94Å; M657-L672 HydrophobicContact CE-CD2 4.24Å; M657-L672 HydrophobicContact CE-CG 4.2Å; M657-I743 CarbonylContact O-C 3.08Å; M657-I743 WeakPolarHBondContact O-CA 3.22Å; M657-G744 PolarHBondContact O-N 2.88Å; M657-Y764 HydrophobicContact CE-CD2 3.86Å; M657-Y764 HydrophobicContact CE-CE2 3.69Å; M657-Y764 HydrophobicContact CG-CD2 3.72Å; M657-Y764 HydrophobicContact CG-CE2 4.31Å; M657-Y764 HydrophobicContact CG-CG 3.95Å; M657-Y764 HydrophobicContact SD-CD2 4.32Å; M657-Y764 HydrophobicContact SD-CE2 4.33Å
658L97.6Very high93Very high5 Ų528 Ų283%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-141.7136.2-177.3-175.2150.3000110L644 I668 V669 V670 L741 Y742 I743 L773L644-L658 HydrophobicContact CD1-CD1 4.33Å; L658-I668 HydrophobicContact CD2-CG1 4.29Å; L658-I668 HydrophobicContact CD2-CG2 4.34Å; L658-V669 CarbonylContact O-C 3.45Å; L658-V669 VanDerWaalsContact O-CA 3.26Å; L658-V669 WeakPolarHBondContact O-CA 3.27Å; L658-V670 HydrophobicContact CB-CB 4.1Å; L658-V670 HydrophobicContact CB-CG2 4.34Å; L658-V670 PolarHBondContact N-O 3.38Å; L658-V670 PolarHBondContact O-N 2.78Å; L658-L741 HydrophobicContact CD1-CD1 4.22Å; L658-L741 HydrophobicContact CD2-CD1 3.93Å; L658-L741 HydrophobicContact CG-CD1 3.86Å; L658-Y742 CarbonylContact C-O 3.43Å; L658-Y742 WeakPolarHBondContact CA-O 3.26Å; L658-I743 HydrophobicContact CB-CD1 4.37Å; L658-I743 HydrophobicContact CD1-CD1 3.87Å; L658-I743 HydrophobicContact CG-CD1 3.97Å; L658-L773 HydrophobicContact CD1-CD2 4.32Å
659F96.8Very high92.9Very high13 Ų1328 Ų286%0.05718%0.176CC..EExtended strand (participates in β ladder)trans-146.8128.6173.2174.4-109.1000111.7L656 F667 I668 V669 Y742 V746 M750 L754L656-F659 HydrophobicContact CD1-CB 4.4Å; L656-F659 HydrophobicContact CD2-CB 4.11Å; L656-F659 HydrophobicContact CG-CB 4.49Å; F659-F667 HydrophobicContact CE2-CB 4.33Å; F659-I668 WeakPolarHBondContact CA-O 3.18Å; F659-V669 HydrophobicContact CD2-CG2 3.61Å; F659-V669 HydrophobicContact CE2-CG2 4.21Å; F659-Y742 AromaticContact CD1-CD2 3.83Å; F659-Y742 HydrophobicContact CD1-CD2 3.83Å; F659-Y742 HydrophobicContact CE1-CD2 4.47Å; F659-Y742 PolarHBondContact N-O 2.92Å; F659-Y742 PolarHBondContact O-N 2.91Å; F659-V746 HydrophobicContact CB-CG1 4.13Å; F659-V746 HydrophobicContact CD1-CG1 3.57Å; F659-V746 HydrophobicContact CE1-CG1 4.37Å; F659-V746 HydrophobicContact CG-CG1 4.13Å; F659-M750 HydrophobicContact CE1-CE 4.15Å; F659-L754 HydrophobicContact CD2-CD2 4.23Å; F659-L754 HydrophobicContact CE1-CD2 4.29Å; F659-L754 HydrophobicContact CE2-CD2 3.86Å; F659-L754 HydrophobicContact CZ-CD2 3.89Å
660N95.2Very high93Very high0 Ų026.1 Ų26.10%017%0.168CC..EExtended strand (participates in β ladder)trans-135127.7165.4-150.7139.3000108.6L636 F667 I668 L737 K738 L741L636-N660 PolarHBondContact N-OD1 2.02Å; L636-N660 VanDerWaalsContact N-OD1 3.09Å; N660-F667 VanDerWaalsContact O-CA 3.32Å; N660-F667 WeakPolarHBondContact O-CA 3.46Å; N660-I668 HydrophobicContact CB-CG2 3.74Å; N660-I668 PolarHBondContact N-O 3.07Å; N660-I668 PolarHBondContact O-N 2.61Å; N660-L737 HydrophobicContact CB-CD1 4.13Å; N660-L737 HydrophobicContact CB-CD2 4.29Å; N660-K738 PolarHBondContact ND2-O 3.05Å; N660-K738 VanDerWaalsContact ND2-O 3.11Å; N660-L741 HydrophobicContact CB-CD1 3.84Å; N660-L741 WeakPolarHBondContact OD1-CB 3.47Å
661S92.1Very high93.2Very high43 Ų4326.1 Ų26.130%0.30117%0.168SC..EExtended strand (participates in β ladder)trans-78.5166.5169.151.10000111.7D666 K738S661-D666 CarbonylContact C-O 3.47Å; S661-K738 CarbonylContact C-O 3.49Å; S661-K738 PolarHBondContact O-N 2.77Å; S661-K738 PolarHBondContact OG-O 3.32Å
662G86.7Confident93.4Very high14 Ų1425.3 Ų25.314%0.14416%0.163CC..BIsolated β-bridgetrans-135.7-171.9175.900000112.9D666 D736G662-D666 WeakPolarHBondContact CA-O 3.35Å; G662-D666 PolarHBondContact N-O 2.79Å; G662-D736 CarbonylContact C-O 3.57Å; G662-D736 WeakPolarHBondContact CA-O 3.31Å
663D81.1Confident93.6Very high91 Ų9125.8 Ų25.849%0.48717%0.166SC..SBendtrans-68.4134.3173.4-81.2-33.5000110.4N665 D666 D736 K738D663-N665 PolarHBondContact O-N 2.89Å; D663-D666 PolarHBondContact O-N 3.22Å; D663-D736 PolarHBondContact N-O 3.14Å; D663-K738 VanDerWaalsContact OD1-CG 3.3Å; D663-K738 WeakPolarHBondContact OD1-CG 3.49Å; D663-K738 WeakPolarHBondContact OD2-CE 3.06Å; D663-K738 IonicContact OD2-NZ 3.89Å
664G82.8Confident93.6Very high79 Ų7930.9 Ų30.981%0.81418%0.183SC*.THydrogen-bonded Turntrans68.1-114.9-17800000112.9
665N85.4Confident93.5Very high126 Ų12627.8 Ų27.867%0.67417%0.166SC*.THydrogen-bonded Turntrans-104.12.7-179.7-67.7-32.5000112.7D663 F667 D682D663-N665 PolarHBondContact O-N 2.89Å; N665-F667 VanDerWaalsContact O-CD1 3.26Å; N665-F667 WeakPolarHBondContact O-CD1 3.31Å; N665-F667 PolarHBondContact O-N 3.12Å; N665-D682 WeakPolarHBondContact O-CB 2.9Å
666D88.7Confident93.6Very high20 Ų2031.4 Ų31.411%0.10718%0.18CC..  trans-64.8136.8-177.8-76.911.9000110.4S661 G662 D663 D682 G684 L735S661-D666 CarbonylContact C-O 3.47Å; G662-D666 WeakPolarHBondContact CA-O 3.35Å; G662-D666 PolarHBondContact N-O 2.79Å; D663-D666 PolarHBondContact O-N 3.22Å; D666-D682 WeakPolarHBondContact CA-O 3.36Å; D666-G684 PolarHBondContact OD1-N 3.32Å; D666-L735 HydrophobicContact CB-CD1 4.48Å
667F92.1Very high93.6Very high10 Ų1031.4 Ų31.44%0.04418%0.18CC..EExtended strand (participates in β ladder)trans-161.3162171.567.4-92.4000111.4F659 N660 N665 V669 V680 F681 D682 P687 P755 I758F659-F667 HydrophobicContact CE2-CB 4.33Å; N660-F667 VanDerWaalsContact O-CA 3.32Å; N660-F667 WeakPolarHBondContact O-CA 3.46Å; N665-F667 VanDerWaalsContact O-CD1 3.26Å; N665-F667 WeakPolarHBondContact O-CD1 3.31Å; N665-F667 PolarHBondContact O-N 3.12Å; F667-V669 HydrophobicContact CD2-CG2 3.61Å; F667-V669 HydrophobicContact CE2-CG2 3.89Å; F667-V680 HydrophobicContact CE2-CB 4.19Å; F667-V680 HydrophobicContact CE2-CG1 3.83Å; F667-V680 HydrophobicContact CZ-CG1 4.09Å; F667-F681 VanDerWaalsContact O-CA 3.27Å; F667-F681 WeakPolarHBondContact O-CA 3.5Å; F667-D682 HydrophobicContact CD1-CB 3.75Å; F667-D682 HydrophobicContact CE1-CB 3.5Å; F667-D682 HydrophobicContact CZ-CB 4.18Å; F667-D682 PolarHBondContact N-O 3.34Å; F667-D682 PolarHBondContact O-N 3.21Å; F667-P687 HydrophobicContact CE1-CB 4.16Å; F667-P687 HydrophobicContact CZ-CB 3.85Å; F667-P755 HydrophobicContact CD1-CB 4.38Å; F667-P755 HydrophobicContact CD1-CG 3.62Å; F667-P755 HydrophobicContact CD2-CG 4.44Å; F667-P755 HydrophobicContact CE1-CB 3.68Å; F667-P755 HydrophobicContact CE1-CG 3.43Å; F667-P755 VanDerWaalsContact CE1-CG 3.43Å; F667-P755 HydrophobicContact CE2-CB 4.42Å; F667-P755 HydrophobicContact CE2-CG 4.26Å; F667-P755 HydrophobicContact CG-CG 4.16Å; F667-P755 HydrophobicContact CZ-CB 3.7Å; F667-P755 HydrophobicContact CZ-CG 3.77Å; F667-I758 HydrophobicContact CD2-CD1 4.42Å; F667-I758 HydrophobicContact CE2-CD1 4.08Å; F667-I758 HydrophobicContact CE2-CG1 4.31Å
668I94.3Very high93.5Very high0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-131.7135.5168.2178.4157.2000110.4L636 M642 L644 L658 F659 N660 Y679 L737L636-I668 HydrophobicContact CD2-CG2 4.39Å; M642-I668 HydrophobicContact CE-CD1 3.5Å; M642-I668 HydrophobicContact SD-CD1 3.36Å; M642-I668 WeakPolarHBondContact SD-CD1 3.41Å; L644-I668 HydrophobicContact CD1-CD1 3.9Å; L658-I668 HydrophobicContact CD2-CG1 4.29Å; L658-I668 HydrophobicContact CD2-CG2 4.34Å; F659-I668 WeakPolarHBondContact CA-O 3.18Å; N660-I668 HydrophobicContact CB-CG2 3.74Å; N660-I668 PolarHBondContact N-O 3.07Å; N660-I668 PolarHBondContact O-N 2.61Å; I668-Y679 HydrophobicContact CD1-CE2 3.75Å; I668-Y679 HydrophobicContact CG1-CE2 3.86Å; I668-L737 HydrophobicContact CG2-CD1 3.82Å; I668-L737 HydrophobicContact CG2-CD2 3.99Å
669V96.6Very high93.5Very high0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-136.1137.6-179.8174.20000110L656 L658 F659 F667 E671 Y679 V680 I758L656-V669 HydrophobicContact CD1-CG1 3.62Å; L658-V669 CarbonylContact O-C 3.45Å; L658-V669 VanDerWaalsContact O-CA 3.26Å; L658-V669 WeakPolarHBondContact O-CA 3.27Å; F659-V669 HydrophobicContact CD2-CG2 3.61Å; F659-V669 HydrophobicContact CE2-CG2 4.21Å; F667-V669 HydrophobicContact CD2-CG2 3.61Å; F667-V669 HydrophobicContact CE2-CG2 3.89Å; V669-E671 HydrophobicContact CG1-CB 4.14Å; V669-E671 HydrophobicContact CG1-CG 4.15Å; V669-Y679 WeakPolarHBondContact O-CA 3.48Å; V669-Y679 WeakPolarHBondContact O-CD2 3.44Å; V669-V680 HydrophobicContact CB-CB 4.07Å; V669-V680 PolarHBondContact N-O 3.47Å; V669-V680 PolarHBondContact O-N 2.77Å; V669-I758 HydrophobicContact CB-CG1 4.5Å; V669-I758 HydrophobicContact CG1-CG1 4.39Å; V669-I758 HydrophobicContact CG1-CG2 4.29Å; V669-I758 HydrophobicContact CG2-CD1 3.41Å; V669-I758 VanDerWaalsContact CG2-CD1 3.41Å; V669-I758 HydrophobicContact CG2-CG1 3.86Å
670V98.1Very high93.5Very high0 Ų031.3 Ų31.30%018%0.18CC..EExtended strand (participates in β ladder)trans-122.2126.8158.3-170.40000108.3F646 M657 L658 V677 H678 V708F646-V670 HydrophobicContact CE1-CG1 4.34Å; F646-V670 HydrophobicContact CZ-CB 4.41Å; F646-V670 HydrophobicContact CZ-CG1 3.83Å; M657-V670 WeakPolarHBondContact CA-O 3.34Å; M657-V670 WeakPolarHBondContact CB-O 3.39Å; M657-V670 PolarHBondContact N-O 3.3Å; L658-V670 HydrophobicContact CB-CB 4.1Å; L658-V670 HydrophobicContact CB-CG2 4.34Å; L658-V670 PolarHBondContact N-O 3.38Å; L658-V670 PolarHBondContact O-N 2.78Å; V670-V677 HydrophobicContact CG1-CG1 3.85Å; V670-H678 WeakPolarHBondContact CA-O 2.94Å; V670-V708 HydrophobicContact CG2-CG2 4.15Å
671E98Very high93.3Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-139.5158.2-177.563.2175.116700111.5L656 V669 V673 V677 H678 I758 A759 S760L656-E671 HydrophobicContact CD1-CB 4.23Å; V669-E671 HydrophobicContact CG1-CB 4.14Å; V669-E671 HydrophobicContact CG1-CG 4.15Å; E671-V673 HydrophobicContact CG-CG2 3.85Å; E671-V677 WeakPolarHBondContact O-CA 3.42Å; E671-H678 HydrophobicContact CG-CB 3.82Å; E671-H678 PolarHBondContact N-O 2.8Å; E671-H678 PolarHBondContact O-N 3.43Å; E671-I758 WeakPolarHBondContact OE2-CG2 3.29Å; E671-A759 PolarHBondContact OE1-N 2.8Å; E671-A759 PolarHBondContact OE2-N 3.46Å; E671-S760 WeakPolarHBondContact CB-OG 3.46Å; E671-S760 WeakPolarHBondContact OE2-CB 3.2Å; E671-S760 PolarHBondContact OE2-N 3.33Å; E671-S760 PolarHBondContact OE2-OG 2.89Å
672L98Very high93.2Very high0 Ų029.8 Ų29.80%017%0.168CC..EExtended strand (participates in β ladder)trans-98.6132.6167.8-155.666.2000109F648 T650 T652 P653 D654 G655 M657 V677 N699F648-L672 HydrophobicContact CE2-CD1 4.28Å; F648-L672 HydrophobicContact CZ-CD1 4.17Å; T650-L672 HydrophobicContact CG2-CD2 3.72Å; T652-L672 WeakPolarHBondContact O-CD2 3.49Å; P653-L672 WeakPolarHBondContact O-CG 3.42Å; D654-L672 VanDerWaalsContact CA-O 3.29Å; D654-L672 WeakPolarHBondContact CA-O 3.29Å; G655-L672 PolarHBondContact N-O 2.73Å; G655-L672 PolarHBondContact O-N 3.16Å; M657-L672 HydrophobicContact CE-CB 3.75Å; M657-L672 HydrophobicContact CE-CD1 3.94Å; M657-L672 HydrophobicContact CE-CD2 4.24Å; M657-L672 HydrophobicContact CE-CG 4.2Å; L672-V677 HydrophobicContact CD1-CG2 3.9Å; L672-N699 HydrophobicContact CD2-CB 4.43Å
673V97.1Very high93.1Very high19 Ų1929.4 Ų29.412%0.11516%0.162CC..EExtended strand (participates in β ladder)trans-136.8117.8178.1-175.20000109.4P653 D654 E671 G675 Y676 H678 A759P653-V673 CarbonylContact O-C 3.59Å; D654-V673 WeakPolarHBondContact OD1-CA 3.45Å; E671-V673 HydrophobicContact CG-CG2 3.85Å; V673-G675 PolarHBondContact O-N 3.23Å; V673-G675 VanDerWaalsContact O-N 3.14Å; V673-Y676 PolarHBondContact N-O 2.88Å; V673-Y676 PolarHBondContact O-N 2.84Å; V673-H678 HydrophobicContact CG2-CB 4.43Å; V673-H678 VanDerWaalsContact CG2-ND1 3.34Å; V673-H678 WeakPolarHBondContact CG2-ND1 2.96Å; V673-A759 HydrophobicContact CG1-CB 3.94Å; V673-A759 HydrophobicContact CG2-CB 3.69Å
674K95.8Very high93.1Very high159 Ų15927.4 Ų27.469%0.69116%0.164SC*.THydrogen-bonded Turntrans50.434-174.9-57.9-178.7178.6-176.10113.1P653 D654 Y676P653-K674 PolarHBondContact O-N 3.1Å; P653-K674 VanDerWaalsContact O-N 3.08Å; D654-K674 PolarHBondContact OD1-N 2.85Å; K674-Y676 VanDerWaalsContact O-CD2 3.25Å; K674-Y676 WeakPolarHBondContact O-CD2 3.35Å; K674-Y676 WeakPolarHBondContact O-CE2 3.47Å
675G95.1Very high93Very high0 Ų029.1 Ų29.10%015%0.154CC..THydrogen-bonded Turntrans80.85.3-177.900000115.2P653 V673 L698 N699P653-G675 PolarHBondContact O-N 2.66Å; V673-G675 PolarHBondContact O-N 3.23Å; V673-G675 VanDerWaalsContact O-N 3.14Å; G675-L698 WeakPolarHBondContact O-CB 3.43Å; G675-L698 PolarHBondContact O-N 2.87Å; G675-N699 WeakPolarHBondContact CA-OD1 3.26Å
676Y97.5Very high93.1Very high78 Ų7824.4 Ų24.431%0.30614%0.135SC..EExtended strand (participates in β ladder)trans-108.6137.5177.1-62.7-87.5000110.8V673 K674 H678 S694 P697V673-Y676 PolarHBondContact N-O 2.88Å; V673-Y676 PolarHBondContact O-N 2.84Å; K674-Y676 VanDerWaalsContact O-CD2 3.25Å; K674-Y676 WeakPolarHBondContact O-CD2 3.35Å; K674-Y676 WeakPolarHBondContact O-CE2 3.47Å; Y676-H678 PolarHBondContact O-N 2.73Å; Y676-S694 VanDerWaalsContact CD1-OG 3.26Å; Y676-S694 WeakPolarHBondContact CD1-OG 3.23Å; Y676-S694 WeakPolarHBondContact CE1-O 3.32Å; Y676-S694 WeakPolarHBondContact CE1-OG 3.45Å; Y676-P697 HydrophobicContact CE2-CG 4.35Å
677V98.1Very high93.1Very high0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-72.7128.3177.4173.20000109.5F648 V670 E671 L672 G692 L698 V706 L718 I720F648-V677 HydrophobicContact CE1-CG2 3.68Å; F648-V677 HydrophobicContact CZ-CG2 3.81Å; V670-V677 HydrophobicContact CG1-CG1 3.85Å; E671-V677 WeakPolarHBondContact O-CA 3.42Å; L672-V677 HydrophobicContact CD1-CG2 3.9Å; V677-G692 PolarHBondContact O-N 2.62Å; V677-L698 HydrophobicContact CB-CD1 4.48Å; V677-L698 HydrophobicContact CG2-CD1 3.78Å; V677-V706 HydrophobicContact CG1-CG1 4.28Å; V677-V706 HydrophobicContact CG2-CG2 4.25Å; V677-L718 HydrophobicContact CG1-CD1 4.4Å; V677-I720 HydrophobicContact CB-CD1 3.73Å; V677-I720 HydrophobicContact CG1-CD1 3.84Å; V677-I720 HydrophobicContact CG2-CD1 4.02Å
678H97.6Very high93.1Very high17 Ų1728.1 Ų28.18%0.07916%0.162CC..EExtended strand (participates in β ladder)trans-113133.3171.8-73.7-175.3000109.6V670 E671 V673 Y676 V680 L689 M690V670-H678 WeakPolarHBondContact CA-O 2.94Å; E671-H678 HydrophobicContact CG-CB 3.82Å; E671-H678 PolarHBondContact N-O 2.8Å; E671-H678 PolarHBondContact O-N 3.43Å; V673-H678 HydrophobicContact CG2-CB 4.43Å; V673-H678 VanDerWaalsContact CG2-ND1 3.34Å; V673-H678 WeakPolarHBondContact CG2-ND1 2.96Å; Y676-H678 PolarHBondContact O-N 2.73Å; H678-V680 HydrophobicContact CB-CG2 4.44Å; H678-L689 HydrophobicContact CB-CD1 3.68Å; H678-M690 WeakPolarHBondContact CA-O 3.44Å
679Y97.2Very high93.1Very high2 Ų230.6 Ų30.61%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-108.4115.1168.2165.6-136.4000108.1I668 V669 F681 M690 V708 H716I668-Y679 HydrophobicContact CD1-CE2 3.75Å; I668-Y679 HydrophobicContact CG1-CE2 3.86Å; V669-Y679 WeakPolarHBondContact O-CA 3.48Å; V669-Y679 WeakPolarHBondContact O-CD2 3.44Å; Y679-F681 AromaticContact CD1-CD1 3.92Å; Y679-F681 HydrophobicContact CD1-CD1 3.92Å; Y679-F681 HydrophobicContact CD1-CE1 4.07Å; Y679-F681 HydrophobicContact CD2-CD1 4.19Å; Y679-F681 AromaticContact CE1-CD1 3.37Å; Y679-F681 HydrophobicContact CE1-CD1 3.37Å; Y679-F681 AromaticContact CE1-CE1 3.54Å; Y679-F681 HydrophobicContact CE1-CE1 3.54Å; Y679-F681 HydrophobicContact CE1-CG 4.32Å; Y679-F681 HydrophobicContact CE2-CB 3.85Å; Y679-F681 AromaticContact CE2-CD1 3.66Å; Y679-F681 HydrophobicContact CE2-CD1 3.66Å; Y679-F681 HydrophobicContact CE2-CG 4.1Å; Y679-F681 HydrophobicContact CG-CD1 4.29Å; Y679-F681 AromaticContact CZ-CD1 3.22Å; Y679-F681 AromaticContact CZ-CE1 3.86Å; Y679-F681 AromaticContact CZ-CG 3.76Å; Y679-F681 WeakPolarHBondContact OH-CD1 3.44Å; Y679-M690 HydrophobicContact CD1-CB 4.14Å; Y679-M690 HydrophobicContact CD1-CG 4.25Å; Y679-M690 HydrophobicContact CD1-SD 3.67Å; Y679-M690 HydrophobicContact CE1-SD 3.92Å; Y679-M690 PolarHBondContact N-O 3.33Å; Y679-M690 PolarHBondContact O-N 2.83Å; Y679-V708 HydrophobicContact CD1-CG1 3.74Å; Y679-V708 HydrophobicContact CD2-CG1 3.82Å; Y679-V708 HydrophobicContact CE1-CG1 3.65Å; Y679-V708 HydrophobicContact CE2-CG1 3.75Å; Y679-V708 HydrophobicContact CG-CG1 3.82Å; Y679-H716 HydrophobicContact CE1-CB 4.2Å; Y679-H716 AromaticContact CE1-ND1 3.49Å; Y679-H716 WeakPolarHBondContact CE1-ND1 3.32Å; Y679-H716 AromaticContact CZ-ND1 3.63Å; Y679-H716 PolarHBondContact OH-CE1 2.83Å; Y679-H716 PolarHBondContact OH-ND1 3.44Å
680V95.4Very high93.1Very high0 Ų030.9 Ų30.90%018%0.177CC..EExtended strand (participates in β ladder)trans-117.9133.2-178.8-160.90000108.9F667 V669 H678 S688 L689 L757 I758F667-V680 HydrophobicContact CE2-CB 4.19Å; F667-V680 HydrophobicContact CE2-CG1 3.83Å; F667-V680 HydrophobicContact CZ-CG1 4.09Å; V669-V680 HydrophobicContact CB-CB 4.07Å; V669-V680 PolarHBondContact N-O 3.47Å; V669-V680 PolarHBondContact O-N 2.77Å; H678-V680 HydrophobicContact CB-CG2 4.44Å; V680-S688 WeakPolarHBondContact CA-O 3.43Å; V680-S688 WeakPolarHBondContact CG1-O 3.44Å; V680-L689 HydrophobicContact CG2-CD1 3.76Å; V680-L757 HydrophobicContact CG1-CB 4.17Å; V680-L757 HydrophobicContact CG1-CD2 3.81Å; V680-L757 HydrophobicContact CG1-CG 3.97Å; V680-I758 HydrophobicContact CG1-CG1 4.47Å
681F92.5Very high92.9Very high3 Ų336.9 Ų36.91%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-149.8154.8-178.562.6-87.8000111.7F667 Y679 L683 P687 S688 M690 H716F667-F681 VanDerWaalsContact O-CA 3.27Å; F667-F681 WeakPolarHBondContact O-CA 3.5Å; Y679-F681 AromaticContact CD1-CD1 3.92Å; Y679-F681 HydrophobicContact CD1-CD1 3.92Å; Y679-F681 HydrophobicContact CD1-CE1 4.07Å; Y679-F681 HydrophobicContact CD2-CD1 4.19Å; Y679-F681 AromaticContact CE1-CD1 3.37Å; Y679-F681 HydrophobicContact CE1-CD1 3.37Å; Y679-F681 AromaticContact CE1-CE1 3.54Å; Y679-F681 HydrophobicContact CE1-CE1 3.54Å; Y679-F681 HydrophobicContact CE1-CG 4.32Å; Y679-F681 HydrophobicContact CE2-CB 3.85Å; Y679-F681 AromaticContact CE2-CD1 3.66Å; Y679-F681 HydrophobicContact CE2-CD1 3.66Å; Y679-F681 HydrophobicContact CE2-CG 4.1Å; Y679-F681 HydrophobicContact CG-CD1 4.29Å; Y679-F681 AromaticContact CZ-CD1 3.22Å; Y679-F681 AromaticContact CZ-CE1 3.86Å; Y679-F681 AromaticContact CZ-CG 3.76Å; Y679-F681 WeakPolarHBondContact OH-CD1 3.44Å; F681-L683 HydrophobicContact CD2-CD1 4.1Å; F681-L683 HydrophobicContact CD2-CG 4.01Å; F681-L683 HydrophobicContact CE2-CD1 4.12Å; F681-L683 HydrophobicContact CE2-CG 4.46Å; F681-P687 CarbonylContact O-C 3.52Å; F681-P687 WeakPolarHBondContact O-CA 3.28Å; F681-S688 PolarHBondContact N-O 3.2Å; F681-S688 PolarHBondContact O-N 3.07Å; F681-M690 HydrophobicContact CE1-CG 4.23Å; F681-M690 HydrophobicContact CE1-SD 4.12Å; F681-H716 AromaticContact CD2-CE1 3.67Å; F681-H716 AromaticContact CE1-CE1 3.99Å; F681-H716 AromaticContact CE1-ND1 3.73Å; F681-H716 AromaticContact CE2-CE1 3.33Å; F681-H716 WeakPolarHBondContact CE2-CE1 3.08Å; F681-H716 AromaticContact CE2-ND1 3.91Å; F681-H716 AromaticContact CE2-NE2 3.5Å; F681-H716 WeakPolarHBondContact CE2-NE2 3.21Å; F681-H716 AromaticContact CZ-CD2 3.84Å; F681-H716 AromaticContact CZ-CE1 3.5Å; F681-H716 AromaticContact CZ-CG 3.78Å; F681-H716 AromaticContact CZ-ND1 3.6Å; F681-H716 AromaticContact CZ-NE2 3.69Å
682D89.7Confident92.6Very high7 Ų737.3 Ų37.34%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-133.1135166.5-164.8-16.4000108.4N665 D666 F667 G684 N685 G686 P687N665-D682 WeakPolarHBondContact O-CB 2.9Å; D666-D682 WeakPolarHBondContact CA-O 3.36Å; F667-D682 HydrophobicContact CD1-CB 3.75Å; F667-D682 HydrophobicContact CE1-CB 3.5Å; F667-D682 HydrophobicContact CZ-CB 4.18Å; F667-D682 PolarHBondContact N-O 3.34Å; F667-D682 PolarHBondContact O-N 3.21Å; D682-G684 PolarHBondContact OD1-N 3.45Å; D682-N685 PolarHBondContact OD1-N 3.14Å; D682-G686 WeakPolarHBondContact OD1-CA 3.17Å; D682-G686 PolarHBondContact OD1-N 2.68Å; D682-G686 VanDerWaalsContact OD2-C 3.22Å; D682-G686 VanDerWaalsContact OD2-CA 3.24Å; D682-G686 WeakPolarHBondContact OD2-CA 3.35Å; D682-P687 WeakPolarHBondContact OD2-CD 3.22Å
683L84.3Confident92.2Very high6 Ų640.6 Ų40.63%0.03123%0.225CC..SBendtrans-12431.3-177.6-62.4173.3000110.4F681 A732 L735F681-L683 HydrophobicContact CD2-CD1 4.1Å; F681-L683 HydrophobicContact CD2-CG 4.01Å; F681-L683 HydrophobicContact CE2-CD1 4.12Å; F681-L683 HydrophobicContact CE2-CG 4.46Å; L683-A732 WeakPolarHBondContact O-CB 3.09Å; L683-A732 PolarHBondContact O-N 2.93Å; L683-L735 HydrophobicContact CD2-CB 3.48Å; L683-L735 VanDerWaalsContact CD2-CB 3.48Å; L683-L735 HydrophobicContact CD2-CD1 3.3Å; L683-L735 HydrophobicContact CD2-CD2 4.33Å; L683-L735 HydrophobicContact CD2-CG 3.81Å
684G81.1Confident92Very high50 Ų5040.7 Ų40.752%0.51523%0.226SC..SBendtrans87.6-4.1-176.900000115.6D666 D682D666-G684 PolarHBondContact OD1-N 3.32Å; D682-G684 PolarHBondContact OD1-N 3.45Å
685N81.1Confident91.7Very high114 Ų11438.7 Ų38.761%0.6122%0.223SC*.SBendtrans-111.713-179.1-72.2-24000113.9D682 N730 G731D682-N685 PolarHBondContact OD1-N 3.14Å; N685-N730 PolarHBondContact ND2-O 2.91Å; N685-G731 WeakPolarHBondContact ND2-CA 3.44Å
686G86.8Confident91.7Very high28 Ų2846.3 Ų46.329%0.28926%0.256SS..  trans99.7156.7179.100000112.3D682 S688D682-G686 WeakPolarHBondContact OD1-CA 3.17Å; D682-G686 PolarHBondContact OD1-N 2.68Å; D682-G686 VanDerWaalsContact OD2-C 3.22Å; D682-G686 VanDerWaalsContact OD2-CA 3.24Å; D682-G686 WeakPolarHBondContact OD2-CA 3.35Å; G686-S688 PolarHBondContact O-N 3.17Å
687P89.7Confident91.6Very high68 Ų6845.4 Ų45.444%0.44226%0.26SS..  trans-69.3129.9-17328.9-36.3000111F667 F681 D682 L757F667-P687 HydrophobicContact CE1-CB 4.16Å; F667-P687 HydrophobicContact CZ-CB 3.85Å; F681-P687 CarbonylContact O-C 3.52Å; F681-P687 WeakPolarHBondContact O-CA 3.28Å; D682-P687 WeakPolarHBondContact OD2-CD 3.22Å; P687-L757 HydrophobicContact CB-CB 4.27Å; P687-L757 HydrophobicContact CB-CD2 3.85Å; P687-L757 HydrophobicContact CG-CD2 4.4Å
688S92.1Very high91.5Very high39 Ų3945.7 Ų45.727%0.27326%0.261SS..EExtended strand (participates in β ladder)trans-115145176.6-66.50000110.3V680 F681 G686V680-S688 WeakPolarHBondContact CA-O 3.43Å; V680-S688 WeakPolarHBondContact CG1-O 3.44Å; F681-S688 PolarHBondContact N-O 3.2Å; F681-S688 PolarHBondContact O-N 3.07Å; G686-S688 PolarHBondContact O-N 3.17Å
689L93.8Very high91.4Very high52 Ų5247 Ų4727%0.27227%0.269SS..EExtended strand (participates in β ladder)trans-123.1124.3179.8165.666.4000110.1H678 V680 K691 L757H678-L689 HydrophobicContact CB-CD1 3.68Å; V680-L689 HydrophobicContact CG2-CD1 3.76Å; L689-K691 HydrophobicContact CD1-CG 4.44Å; L689-K691 HydrophobicContact CD2-CG 4.42Å; L689-K691 HydrophobicContact CG-CG 4.31Å; L689-L757 HydrophobicContact CB-CD1 4.43Å; L689-L757 HydrophobicContact CB-CD2 3.79Å; L689-L757 HydrophobicContact CB-CG 4.16Å; L689-L757 HydrophobicContact CD2-CD1 4.46Å
690M95.5Very high91.2Very high6 Ų650.5 Ų50.53%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-107129166-66.5179.772.500109.5H678 Y679 F681 H716 L718 V725 Q727H678-M690 WeakPolarHBondContact CA-O 3.44Å; Y679-M690 HydrophobicContact CD1-CB 4.14Å; Y679-M690 HydrophobicContact CD1-CG 4.25Å; Y679-M690 HydrophobicContact CD1-SD 3.67Å; Y679-M690 HydrophobicContact CE1-SD 3.92Å; Y679-M690 PolarHBondContact N-O 3.33Å; Y679-M690 PolarHBondContact O-N 2.83Å; F681-M690 HydrophobicContact CE1-CG 4.23Å; F681-M690 HydrophobicContact CE1-SD 4.12Å; M690-H716 HydrophobicContact CE-CB 4.31Å; M690-H716 HydrophobicContact SD-CB 3.54Å; M690-H716 VanDerWaalsContact SD-CB 3.54Å; M690-L718 HydrophobicContact CB-CD2 4.25Å; M690-L718 HydrophobicContact CE-CB 4.05Å; M690-V725 HydrophobicContact CE-CB 4.46Å; M690-V725 HydrophobicContact CE-CG1 4.12Å; M690-V725 WeakPolarHBondContact CE-O 3.37Å; M690-Q727 HydrophobicContact CE-CB 3.79Å; M690-Q727 HydrophobicContact CG-CB 4.11Å; M690-Q727 HydrophobicContact SD-CB 3.8Å
691K94.7Very high91Very high127 Ų12751.7 Ų51.755%0.55229%0.294SS*.EExtended strand (participates in β ladder)trans-97.4132.8173.4-60.1-170.6177.5179.30109.8L689L689-K691 HydrophobicContact CD1-CG 4.44Å; L689-K691 HydrophobicContact CD2-CG 4.42Å; L689-K691 HydrophobicContact CG-CG 4.31Å
692G91.6Very high91Very high9 Ų957 Ų579%0.09332%0.319CS..  trans-60.6141.3173.400000110.8V677 S694 L718V677-G692 PolarHBondContact O-N 2.62Å; G692-S694 PolarHBondContact O-N 3.29Å; G692-L718 VanDerWaalsContact N-CD2 3.35Å
693N90.5Very high91.3Very high69 Ų6959.4 Ų59.437%0.36933%0.328SS..  trans-91.897.4178-179.410.7000109.7R723 V725N693-R723 HydrophobicContact CB-CB 4.16Å; N693-R723 VanDerWaalsContact O-CB 3.26Å; N693-R723 WeakPolarHBondContact O-CB 3.48Å; N693-R723 WeakPolarHBondContact O-CD 3.25Å; N693-V725 HydrophobicContact CB-CG2 3.48Å; N693-V725 VanDerWaalsContact CB-CG2 3.48Å
694S92.7Very high91.8Very high21 Ų2159.8 Ų59.815%0.14733%0.329CS..  trans-133.4146169.8650000110.1Y676 G692 K696Y676-S694 VanDerWaalsContact CD1-OG 3.26Å; Y676-S694 WeakPolarHBondContact CD1-OG 3.23Å; Y676-S694 WeakPolarHBondContact CE1-O 3.32Å; Y676-S694 WeakPolarHBondContact CE1-OG 3.45Å; G692-S694 PolarHBondContact O-N 3.29Å; S694-K696 PolarHBondContact OG-O 2.87Å
695D89.7Confident92.5Very high117 Ų11758.3 Ų58.363%0.62631%0.31SS*.SBendtrans-74.7-31.5176.7-70.8-22.9000111.9R723D695-R723 VanDerWaalsContact CG-NH2 3.29Å; D695-R723 IonicContact OD1-CZ 2.73Å; D695-R723 IonicContact OD1-NH1 3.8Å; D695-R723 PolarHBondContact OD1-NH1 3.17Å; D695-R723 IonicContact OD1-NH2 3.75Å; D695-R723 PolarHBondContact OD1-NH2 3.45Å; D695-R723 IonicContact OD2-CZ 3.36Å; D695-R723 IonicContact OD2-NH1 3.57Å; D695-R723 PolarHBondContact OD2-NH1 2.83Å; D695-R723 IonicContact OD2-NH2 3.16Å; D695-R723 PolarHBondContact OD2-NH2 2.9Å
696K94Very high93.3Very high159 Ų15952.9 Ų52.969%0.69128%0.281SS*.SBendtrans-118.6154.9-175.6-64.4-177.5-177.6178.40110.9S694S694-K696 PolarHBondContact OG-O 2.87Å
697P95.7Very high93.7Very high59 Ų5952.3 Ų52.338%0.38327%0.272SS..  trans-55.5137.8163.9-23.134.6000111Y676 N699Y676-P697 HydrophobicContact CE2-CG 4.35Å; P697-N699 VanDerWaalsContact C-N 3.34Å; P697-N699 WeakPolarHBondContact CB-OD1 3.18Å
698L96.9Very high93.9Very high6 Ų649.1 Ų49.13%0.03125%0.251CS..SBendtrans-94.611.1-173.6-56166.3000112.9F648 G675 V677 D700 H704 I720F648-L698 HydrophobicContact CE2-CB 4.19Å; F648-L698 HydrophobicContact CZ-CB 3.71Å; F648-L698 HydrophobicContact CZ-CD1 4.06Å; G675-L698 WeakPolarHBondContact O-CB 3.43Å; G675-L698 PolarHBondContact O-N 2.87Å; V677-L698 HydrophobicContact CB-CD1 4.48Å; V677-L698 HydrophobicContact CG2-CD1 3.78Å; L698-D700 PolarHBondContact O-N 2.86Å; L698-H704 PolarHBondContact O-CD2 2.9Å; L698-I720 HydrophobicContact CD1-CG2 3.75Å; L698-I720 HydrophobicContact CD2-CG2 4.2Å
699N94.5Very high94Very high44 Ų4448.1 Ų48.124%0.23524%0.244CC..  trans-93.342.5173.665.1-68.3000110.9T650 T651 T652 L672 G675 P697T650-N699 HydrophobicContact CG2-CB 4.12Å; T650-N699 CarbonylContact O-C 3.57Å; T650-N699 VanDerWaalsContact O-CA 3.27Å; T650-N699 WeakPolarHBondContact O-CA 3.26Å; T651-N699 PolarHBondContact O-ND2 3.4Å; T652-N699 WeakPolarHBondContact O-CB 3.38Å; L672-N699 HydrophobicContact CD2-CB 4.43Å; G675-N699 WeakPolarHBondContact CA-OD1 3.26Å; P697-N699 VanDerWaalsContact C-N 3.34Å; P697-N699 WeakPolarHBondContact CB-OD1 3.18Å
700D92.8Very high93.8Very high76 Ų7645.7 Ų45.741%0.40623%0.231SC..SBendtrans-97.710.7-174.267.6-0.7000113.1L698 Q702 H704L698-D700 PolarHBondContact O-N 2.86Å; D700-Q702 PolarHBondContact O-N 3.18Å; D700-Q702 VanDerWaalsContact OD1-CB 3.3Å; D700-Q702 WeakPolarHBondContact OD1-CB 3.2Å; D700-Q702 PolarHBondContact OD1-N 2.95Å; D700-H704 IonicContact OD1-CD2 3.72Å; D700-H704 IonicContact OD1-CE1 3.07Å; D700-H704 IonicContact OD1-NE2 3.29Å; D700-H704 PolarHBondContact OD1-NE2 2.62Å; D700-H704 IonicContact OD2-CE1 2.68Å; D700-H704 IonicContact OD2-NE2 2.84Å; D700-H704 PolarHBondContact OD2-NE2 3.19Å
701N91.6Very high93.4Very high25 Ų2547.7 Ų47.713%0.13424%0.242CC..SBendtrans61.122.3-176.2-15834.2000114.4K649 T650 T651K649-N701 WeakPolarHBondContact CD-O 3.17Å; K649-N701 WeakPolarHBondContact CE-O 3.25Å; K649-N701 WeakPolarHBondContact CE-OD1 3.44Å; K649-N701 PolarHBondContact NZ-O 2.88Å; T650-N701 WeakPolarHBondContact O-CA 3.45Å; T650-N701 PolarHBondContact O-N 2.76Å; T651-N701 HydrophobicContact CG2-CB 3.95Å
702Q93.1Very high92.8Very high116 Ų11644.9 Ų44.954%0.54224%0.243SC..SBendtrans-100.4164.2167.8-58.8-59-40.300111.1K649 D700K649-Q702 WeakPolarHBondContact CA-O 3.27Å; K649-Q702 WeakPolarHBondContact CB-O 3.38Å; D700-Q702 PolarHBondContact O-N 3.18Å; D700-Q702 VanDerWaalsContact OD1-CB 3.3Å; D700-Q702 WeakPolarHBondContact OD1-CB 3.2Å; D700-Q702 PolarHBondContact OD1-N 2.95Å
703W94.6Very high92.4Very high57 Ų5750 Ų5022%0.21627%0.268CS..  trans-81.4126.3172.2-77.2109.2000109.8I618 P621 Q647 F648 K649 C767 A769 C795I618-W703 HydrophobicContact CD1-CB 4.13Å; I618-W703 HydrophobicContact CD1-CD2 3.74Å; I618-W703 HydrophobicContact CD1-CE3 4.32Å; I618-W703 HydrophobicContact CD1-CG 3.64Å; I618-W703 HydrophobicContact CG2-CH2 4.1Å; I618-W703 HydrophobicContact CG2-CZ2 3.7Å; P621-W703 HydrophobicContact CB-CH2 4.2Å; P621-W703 HydrophobicContact CB-CZ2 4.23Å; Q647-W703 HydrophobicContact CB-CE3 3.76Å; Q647-W703 HydrophobicContact CB-CZ3 4.04Å; F648-W703 VanDerWaalsContact C-CE3 3.47Å; F648-W703 WeakPolarHBondContact O-CA 3.49Å; K649-W703 HydrophobicContact CB-CD2 3.78Å; K649-W703 HydrophobicContact CB-CE3 3.78Å; K649-W703 HydrophobicContact CB-CG 4.31Å; K649-W703 HydrophobicContact CB-CH2 4.4Å; K649-W703 HydrophobicContact CB-CZ2 4.39Å; K649-W703 HydrophobicContact CB-CZ3 4.1Å; K649-W703 HydrophobicContact CD-CD2 4.37Å; K649-W703 HydrophobicContact CD-CG 4.42Å; W703-C767 HydrophobicContact CH2-CB 3.5Å; W703-C767 VanDerWaalsContact CH2-CB 3.5Å; W703-C767 HydrophobicContact CZ2-CB 4.06Å; W703-C767 HydrophobicContact CZ3-CB 4.17Å; W703-A769 HydrophobicContact CH2-CB 3.49Å; W703-A769 VanDerWaalsContact CH2-CB 3.49Å; W703-A769 HydrophobicContact CZ2-CB 4.33Å; W703-A769 HydrophobicContact CZ3-CB 3.6Å; W703-C795 HydrophobicContact CH2-CB 4.34Å; W703-C795 HydrophobicContact CZ2-CB 3.78Å
704H96.3Very high92.3Very high13 Ų1347.8 Ų47.86%0.0626%0.256CS..EExtended strand (participates in β ladder)trans-116.4142.1173.9-65.3-72.4000111.1Q647 F648 L698 D700 D721Q647-H704 WeakPolarHBondContact CA-O 3.4Å; F648-H704 HydrophobicContact CD1-CB 4.17Å; F648-H704 HydrophobicContact CE1-CB 3.69Å; F648-H704 HydrophobicContact CZ-CB 3.97Å; F648-H704 PolarHBondContact N-O 2.88Å; F648-H704 PolarHBondContact O-N 3.44Å; L698-H704 PolarHBondContact O-CD2 2.9Å; D700-H704 IonicContact OD1-CD2 3.72Å; D700-H704 IonicContact OD1-CE1 3.07Å; D700-H704 IonicContact OD1-NE2 3.29Å; D700-H704 PolarHBondContact OD1-NE2 2.62Å; D700-H704 IonicContact OD2-CE1 2.68Å; D700-H704 IonicContact OD2-NE2 2.84Å; D700-H704 PolarHBondContact OD2-NE2 3.19Å; H704-D721 VanDerWaalsContact CA-OD1 3.31Å; H704-D721 WeakPolarHBondContact CA-OD1 3.41Å; H704-D721 IonicContact CE1-OD2 3.23Å; H704-D721 IonicContact CG-OD2 3.47Å; H704-D721 IonicContact ND1-OD1 2.94Å; H704-D721 IonicContact ND1-OD2 3.56Å; H704-D721 PolarHBondContact ND1-OD2 2.98Å
705N95.1Very high92.1Very high20 Ų2048.6 Ų48.611%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-91.4131.5177.3-58.9-47.9000109.9Q474 F645 Q647 I720 D721Q474-N705 PolarHBondContact NE2-ND2 2.97Å; F645-N705 HydrophobicContact CE2-CB 4.25Å; Q647-N705 VanDerWaalsContact CG-OD1 3.26Å; Q647-N705 WeakPolarHBondContact CG-OD1 3.2Å; Q647-N705 PolarHBondContact NE2-OD1 2.65Å; N705-I720 WeakPolarHBondContact O-CA 3.21Å; N705-D721 PolarHBondContact N-OD1 2.79Å; N705-D721 PolarHBondContact O-N 3.46Å
706V96.8Very high92.3Very high0 Ų043.1 Ų43.10%023%0.23CC..EExtended strand (participates in β ladder)trans-123.3119.3175.4-176.40000109.2F645 F646 F648 V677 V708 L718 K719 I720F645-V706 WeakPolarHBondContact CA-O 3.18Å; F646-V706 HydrophobicContact CD1-CB 4.39Å; F646-V706 HydrophobicContact CD2-CB 4.35Å; F646-V706 HydrophobicContact CE1-CB 4Å; F646-V706 HydrophobicContact CE1-CG1 3.83Å; F646-V706 HydrophobicContact CE2-CB 3.95Å; F646-V706 HydrophobicContact CE2-CG1 4.39Å; F646-V706 HydrophobicContact CE2-CG2 3.97Å; F646-V706 HydrophobicContact CZ-CB 3.77Å; F646-V706 HydrophobicContact CZ-CG1 3.72Å; F646-V706 HydrophobicContact CZ-CG2 4.1Å; F646-V706 PolarHBondContact N-O 3.25Å; F646-V706 VanDerWaalsContact N-O 3.07Å; F646-V706 PolarHBondContact O-N 3.23Å; F648-V706 HydrophobicContact CD1-CG2 3.58Å; F648-V706 HydrophobicContact CE1-CG2 3.5Å; V677-V706 HydrophobicContact CG1-CG1 4.28Å; V677-V706 HydrophobicContact CG2-CG2 4.25Å; V706-V708 HydrophobicContact CG1-CG2 4.08Å; V706-L718 HydrophobicContact CG1-CD1 4.23Å; V706-K719 WeakPolarHBondContact CA-O 3.29Å; V706-I720 HydrophobicContact CB-CD1 4.41Å; V706-I720 HydrophobicContact CG1-CD1 4.04Å; V706-I720 HydrophobicContact CG2-CD1 3.98Å
707V95.1Very high92.2Very high16 Ų1636.8 Ų36.810%0.09721%0.205CC..EExtended strand (participates in β ladder)trans-113.1125.1169.8-172.10000108.5L644 F645 L718 K719L644-V707 WeakPolarHBondContact O-CA 3.24Å; F645-V707 HydrophobicContact CD2-CG2 3.9Å; V707-L718 CarbonylContact O-C 3.58Å; V707-L718 WeakPolarHBondContact O-CA 3.49Å; V707-K719 HydrophobicContact CB-CB 3.99Å; V707-K719 HydrophobicContact CG2-CB 4.3Å; V707-K719 HydrophobicContact CG2-CD 4.5Å; V707-K719 PolarHBondContact N-O 2.79Å; V707-K719 PolarHBondContact O-N 3.22Å
708V95.3Very high92.3Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-119.5118.4170.8-172.80000107.9M642 L644 V670 Y679 V706 T717 L718M642-V708 HydrophobicContact CE-CG1 3.95Å; L644-V708 HydrophobicContact CB-CB 4.19Å; L644-V708 HydrophobicContact CD1-CB 4.48Å; L644-V708 PolarHBondContact N-O 2.78Å; L644-V708 PolarHBondContact O-N 3.02Å; V670-V708 HydrophobicContact CG2-CG2 4.15Å; Y679-V708 HydrophobicContact CD1-CG1 3.74Å; Y679-V708 HydrophobicContact CD2-CG1 3.82Å; Y679-V708 HydrophobicContact CE1-CG1 3.65Å; Y679-V708 HydrophobicContact CE2-CG1 3.75Å; Y679-V708 HydrophobicContact CG-CG1 3.82Å; V706-V708 HydrophobicContact CG1-CG2 4.08Å; V708-T717 CarbonylContact C-O 3.46Å; V708-T717 WeakPolarHBondContact CA-O 3.15Å; V708-L718 HydrophobicContact CG2-CD1 3.84Å
709S92.8Very high92.2Very high18 Ų1835.6 Ų35.613%0.12619%0.194CC..EExtended strand (participates in β ladder)trans-136.4152.2176.966.90000113.8M642 H716 T717M642-S709 CarbonylContact O-C 3.59Å; M642-S709 WeakPolarHBondContact O-CA 3.48Å; M642-S709 VanDerWaalsContact O-CB 3.27Å; M642-S709 WeakPolarHBondContact O-CB 3.29Å; S709-H716 CarbonylContact O-C 3.54Å; S709-H716 VanDerWaalsContact O-CA 3.29Å; S709-H716 WeakPolarHBondContact O-CA 3.39Å; S709-T717 PolarHBondContact N-O 2.87Å; S709-T717 PolarHBondContact O-N 2.86Å; S709-T717 WeakPolarHBondContact OG-CB 3.49Å
710R90.6Very high92.2Very high1 Ų133.6 Ų33.60%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-129122.8169.5-176.3-176.963.585.90.7108.7Y639 A640 S641 M642 N714 V715 H716 R733Y639-R710 PolarHBondContact O-NH2 3.39Å; A640-R710 PolarHBondContact O-NH1 3.34Å; A640-R710 PolarHBondContact O-NH2 2.97Å; S641-R710 CarbonylContact C-O 3.53Å; S641-R710 VanDerWaalsContact CA-O 3.25Å; S641-R710 WeakPolarHBondContact CA-O 3.37Å; S641-R710 WeakPolarHBondContact CB-O 3.46Å; M642-R710 HydrophobicContact CB-CB 4.34Å; M642-R710 PolarHBondContact N-O 3.42Å; M642-R710 PolarHBondContact O-N 3.48Å; R710-N714 PolarHBondContact NH1-OD1 3.12Å; R710-V715 WeakPolarHBondContact CA-O 3.23Å; R710-H716 WeakPolarHBondContact CD-NE2 3.29Å; R710-R733 PolarHBondContact NH1-O 3.39Å
711D86.3Confident92.2Very high48 Ų4832.5 Ų32.526%0.25718%0.177SC..  trans-84.7174.2175.773.713.8000112.5N713 N714 V715D711-N713 PolarHBondContact O-N 2.75Å; D711-N713 VanDerWaalsContact O-N 3.14Å; D711-N713 VanDerWaalsContact OD1-C 3.3Å; D711-N713 WeakPolarHBondContact OD1-CA 3.43Å; D711-N713 WeakPolarHBondContact OD1-CB 3.47Å; D711-N713 PolarHBondContact OD1-N 2.89Å; D711-N714 PolarHBondContact O-N 3.25Å; D711-N714 PolarHBondContact OD1-N 2.62Å; D711-V715 PolarHBondContact N-O 2.72Å; D711-V715 VanDerWaalsContact N-O 3.16Å; D711-V715 WeakPolarHBondContact OD1-CB 3.16Å; D711-V715 PolarHBondContact OD1-N 3.07Å
712A82.8Confident92.1Very high69 Ų6936.1 Ų36.157%0.5721%0.205SC*.THydrogen-bonded Turntrans-66.6-11.1-179.800000114.1
713N84.4Confident92.1Very high117 Ų11734.8 Ų34.863%0.62620%0.195SC*.THydrogen-bonded Turntrans-98.213.9175.5-60.5-42.7000111.7D711 V715D711-N713 PolarHBondContact O-N 2.75Å; D711-N713 VanDerWaalsContact O-N 3.14Å; D711-N713 VanDerWaalsContact OD1-C 3.3Å; D711-N713 WeakPolarHBondContact OD1-CA 3.43Å; D711-N713 WeakPolarHBondContact OD1-CB 3.47Å; D711-N713 PolarHBondContact OD1-N 2.89Å; N713-V715 HydrophobicContact CB-CG2 4.42Å; N713-V715 PolarHBondContact O-N 3.09Å
714N86.6Confident92Very high22 Ų2235.6 Ų35.612%0.11821%0.206CC..  trans59.628.9-178.6-63.9-29.4000114.1R710 D711 H716 S729R710-N714 PolarHBondContact NH1-OD1 3.12Å; D711-N714 PolarHBondContact O-N 3.25Å; D711-N714 PolarHBondContact OD1-N 2.62Å; N714-H716 PolarHBondContact O-CD2 3.1Å; N714-S729 PolarHBondContact O-N 3.16Å; N714-S729 VanDerWaalsContact O-N 3.12Å; N714-S729 PolarHBondContact O-OG 3.35Å
715V90.3Very high91.9Very high38 Ų3837 Ų3723%0.2322%0.215CC..EExtended strand (participates in β ladder)trans-87.3112.3169.2-1750000108.6R710 D711 N713R710-V715 WeakPolarHBondContact CA-O 3.23Å; D711-V715 PolarHBondContact N-O 2.72Å; D711-V715 VanDerWaalsContact N-O 3.16Å; D711-V715 WeakPolarHBondContact OD1-CB 3.16Å; D711-V715 PolarHBondContact OD1-N 3.07Å; N713-V715 HydrophobicContact CB-CG2 4.42Å; N713-V715 PolarHBondContact O-N 3.09Å
716H92.1Very high91.9Very high1 Ų140.5 Ų40.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-82.6140.5172.2-66.3-109.5000109.9Y679 F681 M690 S709 R710 N714 T726 Q727 S729Y679-H716 HydrophobicContact CE1-CB 4.2Å; Y679-H716 AromaticContact CE1-ND1 3.49Å; Y679-H716 WeakPolarHBondContact CE1-ND1 3.32Å; Y679-H716 AromaticContact CZ-ND1 3.63Å; Y679-H716 PolarHBondContact OH-CE1 2.83Å; Y679-H716 PolarHBondContact OH-ND1 3.44Å; F681-H716 AromaticContact CD2-CE1 3.67Å; F681-H716 AromaticContact CE1-CE1 3.99Å; F681-H716 AromaticContact CE1-ND1 3.73Å; F681-H716 AromaticContact CE2-CE1 3.33Å; F681-H716 WeakPolarHBondContact CE2-CE1 3.08Å; F681-H716 AromaticContact CE2-ND1 3.91Å; F681-H716 AromaticContact CE2-NE2 3.5Å; F681-H716 WeakPolarHBondContact CE2-NE2 3.21Å; F681-H716 AromaticContact CZ-CD2 3.84Å; F681-H716 AromaticContact CZ-CE1 3.5Å; F681-H716 AromaticContact CZ-CG 3.78Å; F681-H716 AromaticContact CZ-ND1 3.6Å; F681-H716 AromaticContact CZ-NE2 3.69Å; M690-H716 HydrophobicContact CE-CB 4.31Å; M690-H716 HydrophobicContact SD-CB 3.54Å; M690-H716 VanDerWaalsContact SD-CB 3.54Å; S709-H716 CarbonylContact O-C 3.54Å; S709-H716 VanDerWaalsContact O-CA 3.29Å; S709-H716 WeakPolarHBondContact O-CA 3.39Å; R710-H716 WeakPolarHBondContact CD-NE2 3.29Å; N714-H716 PolarHBondContact O-CD2 3.1Å; H716-T726 CarbonylContact O-C 3.56Å; H716-T726 WeakPolarHBondContact O-CA 3.47Å; H716-Q727 PolarHBondContact N-O 2.83Å; H716-Q727 PolarHBondContact O-N 2.74Å; H716-S729 PolarHBondContact CD2-OG 2.74Å; H716-S729 PolarHBondContact NE2-OG 2.98Å
717T93.6Very high91.6Very high27 Ų2744 Ų4417%0.16625%0.254CS..EExtended strand (participates in β ladder)trans-131.4127.3178.8-56.60000108.8V708 S709 T724 V725 T726V708-T717 CarbonylContact C-O 3.46Å; V708-T717 WeakPolarHBondContact CA-O 3.15Å; S709-T717 PolarHBondContact N-O 2.87Å; S709-T717 PolarHBondContact O-N 2.86Å; S709-T717 WeakPolarHBondContact OG-CB 3.49Å; T717-T724 HydrophobicContact CG2-CG2 3.39Å; T717-V725 CarbonylContact C-O 3.52Å; T717-V725 WeakPolarHBondContact CA-O 3.4Å; T717-T726 HydrophobicContact CG2-CG2 4.23Å
718L96.1Very high91.3Very high0 Ų048.8 Ų48.80%028%0.275CS..EExtended strand (participates in β ladder)trans-117.9111.4170.4177.962.8000108V677 M690 G692 V706 V707 V708 I720 V725V677-L718 HydrophobicContact CG1-CD1 4.4Å; M690-L718 HydrophobicContact CB-CD2 4.25Å; M690-L718 HydrophobicContact CE-CB 4.05Å; G692-L718 VanDerWaalsContact N-CD2 3.35Å; V706-L718 HydrophobicContact CG1-CD1 4.23Å; V707-L718 CarbonylContact O-C 3.58Å; V707-L718 WeakPolarHBondContact O-CA 3.49Å; V708-L718 HydrophobicContact CG2-CD1 3.84Å; L718-I720 HydrophobicContact CD1-CD1 3.96Å; L718-I720 HydrophobicContact CG-CD1 4.25Å; L718-I720 HydrophobicContact CG-CG1 4.47Å; L718-V725 PolarHBondContact N-O 2.82Å; L718-V725 PolarHBondContact O-N 3.15Å
719K94.9Very high90.6Very high39 Ų3949.4 Ų49.417%0.1728%0.279CS..EExtended strand (participates in β ladder)trans-108.8122.4174.9-173.5-178.8176.9-177.30109.2D522 V706 V707 D721 R723D522-K719 PolarHBondContact O-NZ 2.76Å; V706-K719 WeakPolarHBondContact CA-O 3.29Å; V707-K719 HydrophobicContact CB-CB 3.99Å; V707-K719 HydrophobicContact CG2-CB 4.3Å; V707-K719 HydrophobicContact CG2-CD 4.5Å; V707-K719 PolarHBondContact N-O 2.79Å; V707-K719 PolarHBondContact O-N 3.22Å; K719-D721 WeakPolarHBondContact CE-O 3.38Å; K719-R723 CarbonylContact C-O 3.28Å; K719-R723 VanDerWaalsContact CA-O 3.26Å; K719-R723 WeakPolarHBondContact CA-O 3.49Å
720I96.1Very high89.4Confident2 Ų255.1 Ų55.11%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-110.4117.6171.8-53.3-57.7000107.1V677 L698 N705 V706 L718 S722 R723V677-I720 HydrophobicContact CB-CD1 3.73Å; V677-I720 HydrophobicContact CG1-CD1 3.84Å; V677-I720 HydrophobicContact CG2-CD1 4.02Å; L698-I720 HydrophobicContact CD1-CG2 3.75Å; L698-I720 HydrophobicContact CD2-CG2 4.2Å; N705-I720 WeakPolarHBondContact O-CA 3.21Å; V706-I720 HydrophobicContact CB-CD1 4.41Å; V706-I720 HydrophobicContact CG1-CD1 4.04Å; V706-I720 HydrophobicContact CG2-CD1 3.98Å; L718-I720 HydrophobicContact CD1-CD1 3.96Å; L718-I720 HydrophobicContact CG-CD1 4.25Å; L718-I720 HydrophobicContact CG-CG1 4.47Å; I720-S722 PolarHBondContact O-N 3.41Å; I720-R723 PolarHBondContact N-O 2.79Å; I720-R723 PolarHBondContact O-N 2.96Å
721D92.5Very high88Confident53 Ų5355.9 Ų55.928%0.28332%0.317SS..THydrogen-bonded Turntrans52.1-106.5-173.1-58.1-37000111.6H704 N705 K719H704-D721 VanDerWaalsContact CA-OD1 3.31Å; H704-D721 WeakPolarHBondContact CA-OD1 3.41Å; H704-D721 IonicContact CE1-OD2 3.23Å; H704-D721 IonicContact CG-OD2 3.47Å; H704-D721 IonicContact ND1-OD1 2.94Å; H704-D721 IonicContact ND1-OD2 3.56Å; H704-D721 PolarHBondContact ND1-OD2 2.98Å; N705-D721 PolarHBondContact N-OD1 2.79Å; N705-D721 PolarHBondContact O-N 3.46Å; K719-D721 WeakPolarHBondContact CE-O 3.38Å
722S89Confident86.9Confident102 Ų10256 Ų5671%0.71332%0.324SS*.THydrogen-bonded Turntrans-100.3-4.7178.159.70000114.3I720I720-S722 PolarHBondContact O-N 3.41Å
723R93.1Very high86Confident88 Ų8862.1 Ų62.133%0.33233%0.332SS..EExtended strand (participates in β ladder)trans-105.9127.5-169.9-66-177.3176.4-157.95.5112.1N693 D695 K719 I720N693-R723 HydrophobicContact CB-CB 4.16Å; N693-R723 VanDerWaalsContact O-CB 3.26Å; N693-R723 WeakPolarHBondContact O-CB 3.48Å; N693-R723 WeakPolarHBondContact O-CD 3.25Å; D695-R723 VanDerWaalsContact CG-NH2 3.29Å; D695-R723 IonicContact OD1-CZ 2.73Å; D695-R723 IonicContact OD1-NH1 3.8Å; D695-R723 PolarHBondContact OD1-NH1 3.17Å; D695-R723 IonicContact OD1-NH2 3.75Å; D695-R723 PolarHBondContact OD1-NH2 3.45Å; D695-R723 IonicContact OD2-CZ 3.36Å; D695-R723 IonicContact OD2-NH1 3.57Å; D695-R723 PolarHBondContact OD2-NH1 2.83Å; D695-R723 IonicContact OD2-NH2 3.16Å; D695-R723 PolarHBondContact OD2-NH2 2.9Å; K719-R723 CarbonylContact C-O 3.28Å; K719-R723 VanDerWaalsContact CA-O 3.26Å; K719-R723 WeakPolarHBondContact CA-O 3.49Å; I720-R723 PolarHBondContact N-O 2.79Å; I720-R723 PolarHBondContact O-N 2.96Å
724T92.8Very high85.3Confident73 Ų7359.6 Ų59.645%0.44832%0.319SS..EExtended strand (participates in β ladder)trans-112.5137.8-174.4-54.40000111.6T717 T726T717-T724 HydrophobicContact CG2-CG2 3.39Å; T724-T726 HydrophobicContact CG2-CG2 4.27Å
725V94.6Very high84.6Confident42 Ų4258.8 Ų58.826%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-121.5133.7169.2-178.10000108.4M690 N693 T717 L718M690-V725 HydrophobicContact CE-CB 4.46Å; M690-V725 HydrophobicContact CE-CG1 4.12Å; M690-V725 WeakPolarHBondContact CE-O 3.37Å; N693-V725 HydrophobicContact CB-CG2 3.48Å; N693-V725 VanDerWaalsContact CB-CG2 3.48Å; T717-V725 CarbonylContact C-O 3.52Å; T717-V725 WeakPolarHBondContact CA-O 3.4Å; L718-V725 PolarHBondContact N-O 2.82Å; L718-V725 PolarHBondContact O-N 3.15Å
726T93.7Very high84Confident94 Ų9459.8 Ų59.858%0.57732%0.318SS*.EExtended strand (participates in β ladder)trans-118.6146.617656.40000111.4H716 T717 T724H716-T726 CarbonylContact O-C 3.56Å; H716-T726 WeakPolarHBondContact O-CA 3.47Å; T717-T726 HydrophobicContact CG2-CG2 4.23Å; T724-T726 HydrophobicContact CG2-CG2 4.27Å
727Q91.6Very high83.8Confident73 Ų7360.5 Ų60.534%0.34132%0.322SS..EExtended strand (participates in β ladder)trans-142.5129.7174.9-172.2175.526.200109.4M690 H716M690-Q727 HydrophobicContact CE-CB 3.79Å; M690-Q727 HydrophobicContact CG-CB 4.11Å; M690-Q727 HydrophobicContact SD-CB 3.8Å; H716-Q727 PolarHBondContact N-O 2.83Å; H716-Q727 PolarHBondContact O-N 2.74Å
728H87.9Confident83.5Confident118 Ų11864 Ų6455%0.54634%0.335SS..EExtended strand (participates in β ladder)trans-84.8130.4171.3-172.5-83.6000109.3N730H728-N730 PolarHBondContact CE1-OD1 3.18Å; H728-N730 PolarHBondContact ND1-OD1 2.72Å
729S80.4Confident83.2Confident13 Ų1366 Ų669%0.09136%0.357CS..  trans-108.2131.9174.668.70000110.5N714 H716 G731N714-S729 PolarHBondContact O-N 3.16Å; N714-S729 VanDerWaalsContact O-N 3.12Å; N714-S729 PolarHBondContact O-OG 3.35Å; H716-S729 PolarHBondContact CD2-OG 2.74Å; H716-S729 PolarHBondContact NE2-OG 2.98Å; S729-G731 PolarHBondContact O-N 3Å
730N68Low83.2Confident138 Ų13866.5 Ų66.574%0.73836%0.359SS*.  trans-83.643.2174.1-68.6-12.4000110.4N685 H728N685-N730 PolarHBondContact ND2-O 2.91Å; H728-N730 PolarHBondContact CE1-OD1 3.18Å; H728-N730 PolarHBondContact ND1-OD1 2.72Å
731G62.2Low83.2Confident17 Ų1766.4 Ų66.418%0.17536%0.359CS..  trans-82.8169.6-169.100000116.4N685 S729N685-G731 WeakPolarHBondContact ND2-CA 3.44Å; S729-G731 PolarHBondContact O-N 3Å
732A61.6Low83.5Confident49 Ų4965.2 Ų65.241%0.40535%0.35SS..  trans-54.6152.1159.500000110.5L683 N734L683-A732 WeakPolarHBondContact O-CB 3.09Å; L683-A732 PolarHBondContact O-N 2.93Å; A732-N734 VanDerWaalsContact C-N 3.25Å; A732-N734 PolarHBondContact O-N 2.85Å
733R63.8Low83.9Confident199 Ų19960.5 Ų60.575%0.75132%0.317SS*.SBendtrans-69.7-22.3-173.3-160.1174.6-1761790.4113.4R710R710-R733 PolarHBondContact NH1-O 3.39Å
734N69.5Low84.1Confident63 Ų6356.3 Ų56.334%0.33730%0.302SS..SBendtrans-125.4149.4-174.9-60.6-22000110.7Y639 A732Y639-N734 WeakPolarHBondContact O-CA 3.34Å; A732-N734 VanDerWaalsContact C-N 3.25Å; A732-N734 PolarHBondContact O-N 2.85Å
735L73.6Confident84.2Confident5 Ų552.9 Ų52.93%0.02628%0.281CS..  trans-102.8106.9170.3172.764.2000107.8A638 Y639 M642 D666 L683 L737A638-L735 HydrophobicContact CB-CD2 4.1Å; A638-L735 WeakPolarHBondContact O-CB 3Å; Y639-L735 PolarHBondContact O-N 2.91Å; M642-L735 HydrophobicContact SD-CD2 4.16Å; D666-L735 HydrophobicContact CB-CD1 4.48Å; L683-L735 HydrophobicContact CD2-CB 3.48Å; L683-L735 VanDerWaalsContact CD2-CB 3.48Å; L683-L735 HydrophobicContact CD2-CD1 3.3Å; L683-L735 HydrophobicContact CD2-CD2 4.33Å; L683-L735 HydrophobicContact CD2-CG 3.81Å; L735-L737 HydrophobicContact CD1-CD2 3.79Å; L735-L737 HydrophobicContact CD1-CG 4.23Å; L735-L737 HydrophobicContact CD2-CD1 3.99Å; L735-L737 HydrophobicContact CD2-CD2 4.27Å; L735-L737 HydrophobicContact CD2-CG 4.13Å; L735-L737 HydrophobicContact CG-CD1 4.27Å; L735-L737 HydrophobicContact CG-CD2 3.98Å; L735-L737 HydrophobicContact CG-CG 3.85Å; L735-L737 PolarHBondContact O-N 2.93Å
736D77.6Confident84.3Confident59 Ų5951.1 Ų51.132%0.31627%0.27SS..  trans-95.981.1-173.8-72.8-42.9000110.8Y639 G662 D663Y639-D736 WeakPolarHBondContact CE1-OD1 3.49Å; G662-D736 CarbonylContact C-O 3.57Å; G662-D736 WeakPolarHBondContact CA-O 3.31Å; D663-D736 PolarHBondContact N-O 3.14Å
737L87.3Confident84.3Confident17 Ų1748.5 Ų48.59%0.08925%0.254CS..BIsolated β-bridgetrans-76.3148179.2-61.6175.3000112.8T635 L636 A638 N660 I668 L735T635-L737 HydrophobicContact CG2-CB 3.88Å; L636-L737 HydrophobicContact CB-CD1 3.75Å; L636-L737 HydrophobicContact CD2-CD1 3.82Å; L636-L737 HydrophobicContact CG-CD1 4.05Å; A638-L737 HydrophobicContact CB-CD1 4.35Å; N660-L737 HydrophobicContact CB-CD1 4.13Å; N660-L737 HydrophobicContact CB-CD2 4.29Å; I668-L737 HydrophobicContact CG2-CD1 3.82Å; I668-L737 HydrophobicContact CG2-CD2 3.99Å; L735-L737 HydrophobicContact CD1-CD2 3.79Å; L735-L737 HydrophobicContact CD1-CG 4.23Å; L735-L737 HydrophobicContact CD2-CD1 3.99Å; L735-L737 HydrophobicContact CD2-CD2 4.27Å; L735-L737 HydrophobicContact CD2-CG 4.13Å; L735-L737 HydrophobicContact CG-CD1 4.27Å; L735-L737 HydrophobicContact CG-CD2 3.98Å; L735-L737 HydrophobicContact CG-CG 3.85Å; L735-L737 PolarHBondContact O-N 2.93Å
738K87.3Confident84.2Confident99 Ų9954.3 Ų54.343%0.4328%0.278SS..  trans-143.1156179.2-66.7-63-176.3-1740111.1N660 S661 D663N660-K738 PolarHBondContact ND2-O 3.05Å; N660-K738 VanDerWaalsContact ND2-O 3.11Å; S661-K738 CarbonylContact C-O 3.49Å; S661-K738 PolarHBondContact O-N 2.77Å; S661-K738 PolarHBondContact OG-O 3.32Å; D663-K738 VanDerWaalsContact OD1-CG 3.3Å; D663-K738 WeakPolarHBondContact OD1-CG 3.49Å; D663-K738 WeakPolarHBondContact OD2-CE 3.06Å; D663-K738 IonicContact OD2-NZ 3.89Å
739G89.9Confident84.3Confident44 Ų4452.6 Ų52.645%0.45428%0.28SS..SBendtrans72.5-170-179.900000112.3T635T635-G739 WeakPolarHBondContact CA-O 3.49Å; T635-G739 VanDerWaalsContact CB-O 3.28Å; T635-G739 WeakPolarHBondContact CB-O 3.42Å; T635-G739 WeakPolarHBondContact CG2-O 3.25Å; T635-G739 PolarHBondContact OG1-O 2.89Å
740E94.9Very high84.9Confident49 Ų4954.4 Ų54.423%0.22929%0.287CS..  trans-75.8147.8-172-57.9175.2154.900112A632 L633 Y742 L785 H786A632-E740 HydrophobicContact CB-CB 4.16Å; L633-E740 WeakPolarHBondContact O-CA 2.97Å; E740-Y742 HydrophobicContact CB-CE2 4.02Å; E740-Y742 WeakPolarHBondContact O-CD2 3.41Å; E740-Y742 PolarHBondContact OE2-OH 2.91Å; E740-L785 HydrophobicContact CG-CD1 4.28Å; E740-H786 IonicContact OE1-CD2 2.78Å; E740-H786 PolarHBondContact OE1-CD2 2.85Å; E740-H786 VanDerWaalsContact OE1-CD2 3.24Å; E740-H786 IonicContact OE1-NE2 3.38Å; E740-H786 PolarHBondContact OE1-NE2 2.76Å; E740-H786 IonicContact OE2-CD2 3.4Å
741L96.5Very high86.1Confident0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-87.6115.3168.2173.666.7000108.9A632 L633 A634 L636 L658 N660 I743 L773A632-L741 CarbonylContact C-O 3.58Å; A632-L741 WeakPolarHBondContact CA-O 3.16Å; L633-L741 HydrophobicContact CB-CB 4.21Å; L633-L741 HydrophobicContact CB-CD2 4.43Å; L633-L741 HydrophobicContact CD1-CD2 4.38Å; L633-L741 PolarHBondContact N-O 3.2Å; L633-L741 PolarHBondContact O-N 3.16Å; A634-L741 WeakPolarHBondContact O-CB 3.27Å; L636-L741 HydrophobicContact CB-CD1 4.46Å; L636-L741 HydrophobicContact CB-CD2 4.39Å; L658-L741 HydrophobicContact CD1-CD1 4.22Å; L658-L741 HydrophobicContact CD2-CD1 3.93Å; L658-L741 HydrophobicContact CG-CD1 3.86Å; N660-L741 HydrophobicContact CB-CD1 3.84Å; N660-L741 WeakPolarHBondContact OD1-CB 3.47Å; L741-I743 HydrophobicContact CD1-CD1 4.35Å; L741-I743 HydrophobicContact CD2-CD1 4.15Å; L741-I743 HydrophobicContact CG-CD1 4.02Å; L741-I743 HydrophobicContact CG-CG1 4.44Å; L741-L773 HydrophobicContact CD2-CD1 3.35Å; L741-L773 HydrophobicContact CD2-CD2 4Å; L741-L773 HydrophobicContact CD2-CG 4.27Å
742Y97.8Very high87.4Confident27 Ų2752.6 Ų52.611%0.10628%0.279CS..EExtended strand (participates in β ladder)trans-92.4129.9178.6-66.8-81.5000111.3Y630 L631 A632 L658 F659 E740 G745 V746 M750Y630-Y742 AromaticContact CD2-CD1 3.82Å; Y630-Y742 HydrophobicContact CD2-CD1 3.82Å; Y630-Y742 HydrophobicContact CD2-CE1 4.34Å; Y630-Y742 AromaticContact CE2-CD1 3.85Å; Y630-Y742 HydrophobicContact CE2-CD1 3.85Å; Y630-Y742 AromaticContact CE2-CE1 3.89Å; Y630-Y742 HydrophobicContact CE2-CE1 3.89Å; L631-Y742 CarbonylContact O-C 3.41Å; L631-Y742 WeakPolarHBondContact O-CA 2.99Å; A632-Y742 HydrophobicContact CB-CD1 4.2Å; A632-Y742 HydrophobicContact CB-CE1 3.99Å; L658-Y742 CarbonylContact C-O 3.43Å; L658-Y742 WeakPolarHBondContact CA-O 3.26Å; F659-Y742 AromaticContact CD1-CD2 3.83Å; F659-Y742 HydrophobicContact CD1-CD2 3.83Å; F659-Y742 HydrophobicContact CE1-CD2 4.47Å; F659-Y742 PolarHBondContact N-O 2.92Å; F659-Y742 PolarHBondContact O-N 2.91Å; E740-Y742 HydrophobicContact CB-CE2 4.02Å; E740-Y742 WeakPolarHBondContact O-CD2 3.41Å; E740-Y742 PolarHBondContact OE2-OH 2.91Å; Y742-G745 WeakPolarHBondContact CB-O 3.4Å; Y742-V746 HydrophobicContact CD1-CG1 4.34Å; Y742-V746 HydrophobicContact CD2-CG1 4.11Å; Y742-V746 HydrophobicContact CG-CG1 3.82Å; Y742-M750 HydrophobicContact CE2-CE 4.04Å; Y742-M750 HydrophobicContact CE2-SD 4.49Å
743I98.1Very high88.7Confident4 Ų456.6 Ų56.62%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-120.8129.6177.3-54.2-63.5000109.1F624 Y630 L631 L633 M657 L658 L741 G745 L768F624-I743 WeakPolarHBondContact CE1-O 3.37Å; F624-I743 HydrophobicContact CZ-CG2 3.82Å; Y630-I743 CarbonylContact C-O 3.43Å; Y630-I743 VanDerWaalsContact CA-O 3.3Å; Y630-I743 WeakPolarHBondContact CA-O 3.46Å; Y630-I743 WeakPolarHBondContact CB-O 3.09Å; L631-I743 HydrophobicContact CB-CB 4.49Å; L631-I743 PolarHBondContact N-O 3.08Å; L631-I743 PolarHBondContact O-N 2.76Å; L633-I743 HydrophobicContact CD1-CG1 3.8Å; M657-I743 CarbonylContact O-C 3.08Å; M657-I743 WeakPolarHBondContact O-CA 3.22Å; L658-I743 HydrophobicContact CB-CD1 4.37Å; L658-I743 HydrophobicContact CD1-CD1 3.87Å; L658-I743 HydrophobicContact CG-CD1 3.97Å; L741-I743 HydrophobicContact CD1-CD1 4.35Å; L741-I743 HydrophobicContact CD2-CD1 4.15Å; L741-I743 HydrophobicContact CG-CD1 4.02Å; L741-I743 HydrophobicContact CG-CG1 4.44Å; I743-G745 VanDerWaalsContact C-N 3.29Å; I743-G745 PolarHBondContact O-N 3.47Å; I743-L768 HydrophobicContact CG2-CD1 3.44Å; I743-L768 VanDerWaalsContact CG2-CD1 3.44Å
744G96.4Very high90Very high0 Ų048 Ų480%026%0.263CS..SBendtrans84.7-12.3179.300000115.3S629 L656 M657 G763 Y764S629-G744 CarbonylContact O-C 3.58Å; L656-G744 CarbonylContact O-C 3.53Å; M657-G744 PolarHBondContact O-N 2.88Å; G744-G763 CarbonylContact O-C 3.55Å; G744-G763 VanDerWaalsContact O-CA 3.28Å; G744-G763 WeakPolarHBondContact O-CA 3.34Å; G744-Y764 PolarHBondContact O-N 2.82Å
745G96.4Very high90.9Very high1 Ų146.9 Ų46.91%0.0126%0.259CS..  trans156.2-178.9177.800000112.4Y630 L656 Y742 I743 Y751Y630-G745 WeakPolarHBondContact CB-O 3.24Å; L656-G745 PolarHBondContact O-N 3.1Å; Y742-G745 WeakPolarHBondContact CB-O 3.4Å; I743-G745 VanDerWaalsContact C-N 3.29Å; I743-G745 PolarHBondContact O-N 3.47Å; G745-Y751 WeakPolarHBondContact CA-OH 3.41Å
746V96.1Very high91.5Very high4 Ų456.6 Ų56.62%0.02430%0.301CS..  trans-126.3174.5176.3-66.70000111.2L656 F659 Y742 M750 Y751L656-V746 HydrophobicContact CD2-CB 4.4Å; L656-V746 HydrophobicContact CD2-CG1 3.77Å; L656-V746 HydrophobicContact CD2-CG2 3.95Å; F659-V746 HydrophobicContact CB-CG1 4.13Å; F659-V746 HydrophobicContact CD1-CG1 3.57Å; F659-V746 HydrophobicContact CE1-CG1 4.37Å; F659-V746 HydrophobicContact CG-CG1 4.13Å; Y742-V746 HydrophobicContact CD1-CG1 4.34Å; Y742-V746 HydrophobicContact CD2-CG1 4.11Å; Y742-V746 HydrophobicContact CG-CG1 3.82Å; V746-M750 HydrophobicContact CB-CB 4.05Å; V746-M750 HydrophobicContact CB-SD 4.22Å; V746-M750 HydrophobicContact CG2-CB 3.8Å; V746-Y751 HydrophobicContact CG2-CD1 3.93Å; V746-Y751 HydrophobicContact CG2-CD2 3.96Å; V746-Y751 HydrophobicContact CG2-CE1 3.66Å; V746-Y751 HydrophobicContact CG2-CE2 3.7Å; V746-Y751 HydrophobicContact CG2-CG 4.07Å; V746-Y751 PolarHBondContact N-OH 2.88Å; V746-Y751 VanDerWaalsContact N-OH 3.07Å; V746-Y751 VanDerWaalsContact O-CE2 3.31Å; V746-Y751 WeakPolarHBondContact O-CE2 3.2Å
747T93.4Very high92.2Very high40 Ų4057 Ų5725%0.24530%0.303CS..  trans-58.5147.2172.865.50000111.2Y630 S749 M750Y630-T747 WeakPolarHBondContact OH-CG2 3.39Å; T747-S749 PolarHBondContact O-N 2.79Å; T747-S749 VanDerWaalsContact O-N 3.11Å; T747-S749 PolarHBondContact OG1-OG 2.96Å; T747-M750 HydrophobicContact CG2-SD 4.33Å; T747-M750 WeakPolarHBondContact O-CB 3.25Å; T747-M750 PolarHBondContact O-N 2.76Å; T747-M750 WeakPolarHBondContact OG1-CG 3.3Å; T747-M750 PolarHBondContact OG1-SD 3.07Å
748K89.8Confident92.5Very high194 Ų19456.2 Ų56.284%0.84330%0.298SS*.THydrogen-bonded Turntrans-55.7-35-176-167.8172.9-177.4175.30113.5M750K748-M750 VanDerWaalsContact C-N 3.33Å
749S90.1Very high92.8Very high83 Ų8353.8 Ų53.858%0.5830%0.297SS*.THydrogen-bonded Turntrans-73-20.2176.846.80000114.1T747 S752T747-S749 PolarHBondContact O-N 2.79Å; T747-S749 VanDerWaalsContact O-N 3.11Å; T747-S749 PolarHBondContact OG1-OG 2.96Å; S749-S752 PolarHBondContact O-OG 2.75Å
750M92.7Very high93Very high51 Ų5151.9 Ų51.925%0.25128%0.277SS..THydrogen-bonded Turntrans-77.5-30.5179.6-75.5170.799.800112.3F659 Y742 V746 T747 K748 S752 N753 L754F659-M750 HydrophobicContact CE1-CE 4.15Å; Y742-M750 HydrophobicContact CE2-CE 4.04Å; Y742-M750 HydrophobicContact CE2-SD 4.49Å; V746-M750 HydrophobicContact CB-CB 4.05Å; V746-M750 HydrophobicContact CB-SD 4.22Å; V746-M750 HydrophobicContact CG2-CB 3.8Å; T747-M750 HydrophobicContact CG2-SD 4.33Å; T747-M750 WeakPolarHBondContact O-CB 3.25Å; T747-M750 PolarHBondContact O-N 2.76Å; T747-M750 WeakPolarHBondContact OG1-CG 3.3Å; T747-M750 PolarHBondContact OG1-SD 3.07Å; K748-M750 VanDerWaalsContact C-N 3.33Å; M750-S752 PolarHBondContact O-N 2.87Å; M750-N753 CarbonylContact O-C 3.49Å; M750-N753 WeakPolarHBondContact O-CA 3.4Å; M750-N753 PolarHBondContact O-N 2.83Å; M750-L754 PolarHBondContact O-N 3.42Å; M750-L754 VanDerWaalsContact O-N 3.12Å
751Y93.6Very high92.9Very high23 Ų2355.8 Ų55.89%0.0929%0.29CS..G310 helixtrans-58-31.9179.5-70.3-74.2000113.8L656 G745 V746 N753 L754 G763L656-Y751 HydrophobicContact CB-CE1 4.38Å; L656-Y751 HydrophobicContact CD2-CE1 4.07Å; G745-Y751 WeakPolarHBondContact CA-OH 3.41Å; V746-Y751 HydrophobicContact CG2-CD1 3.93Å; V746-Y751 HydrophobicContact CG2-CD2 3.96Å; V746-Y751 HydrophobicContact CG2-CE1 3.66Å; V746-Y751 HydrophobicContact CG2-CE2 3.7Å; V746-Y751 HydrophobicContact CG2-CG 4.07Å; V746-Y751 PolarHBondContact N-OH 2.88Å; V746-Y751 VanDerWaalsContact N-OH 3.07Å; V746-Y751 VanDerWaalsContact O-CE2 3.31Å; V746-Y751 WeakPolarHBondContact O-CE2 3.2Å; Y751-N753 PolarHBondContact O-N 3.3Å; Y751-L754 HydrophobicContact CD1-CD1 3.72Å; Y751-L754 HydrophobicContact CE1-CD1 4.35Å; Y751-L754 HydrophobicContact CG-CD1 4.5Å; Y751-G763 WeakPolarHBondContact OH-CA 3.5Å; Y751-G763 PolarHBondContact OH-N 3.48Å
752S89.6Confident92.9Very high94 Ų9460.1 Ų60.166%0.65731%0.312SS*.G310 helixtrans-71.8-18.717658.10000113.5S749 M750S749-S752 PolarHBondContact O-OG 2.75Å; M750-S752 PolarHBondContact O-N 2.87Å
753N88.3Confident92.8Very high133 Ų13358.8 Ų58.871%0.71131%0.307SS*.G310 helixtrans-111.22.7-174.2-60.4-18.2000112.8M750 Y751M750-N753 CarbonylContact O-C 3.49Å; M750-N753 WeakPolarHBondContact O-CA 3.4Å; M750-N753 PolarHBondContact O-N 2.83Å; Y751-N753 PolarHBondContact O-N 3.3Å
754L90.9Very high92.7Very high18 Ų1858.6 Ų58.69%0.09431%0.306CS..SBendtrans-64.4144.5175.8-72176.8000110.8L656 F659 M750 Y751 K756 I758L656-L754 HydrophobicContact CD2-CD1 4.39Å; F659-L754 HydrophobicContact CD2-CD2 4.23Å; F659-L754 HydrophobicContact CE1-CD2 4.29Å; F659-L754 HydrophobicContact CE2-CD2 3.86Å; F659-L754 HydrophobicContact CZ-CD2 3.89Å; M750-L754 PolarHBondContact O-N 3.42Å; M750-L754 VanDerWaalsContact O-N 3.12Å; Y751-L754 HydrophobicContact CD1-CD1 3.72Å; Y751-L754 HydrophobicContact CE1-CD1 4.35Å; Y751-L754 HydrophobicContact CG-CD1 4.5Å; L754-K756 PolarHBondContact O-N 2.9Å; L754-I758 HydrophobicContact CB-CD1 4.12Å; L754-I758 HydrophobicContact CD1-CG2 4.18Å; L754-I758 HydrophobicContact CD2-CD1 4.29Å
755P89.7Confident92.7Very high40 Ų4060 Ų6026%0.2631%0.313SS..  trans-45.3137.7171.4-30.429.7000113.4F667 L757 I758F667-P755 HydrophobicContact CD1-CB 4.38Å; F667-P755 HydrophobicContact CD1-CG 3.62Å; F667-P755 HydrophobicContact CD2-CG 4.44Å; F667-P755 HydrophobicContact CE1-CB 3.68Å; F667-P755 HydrophobicContact CE1-CG 3.43Å; F667-P755 VanDerWaalsContact CE1-CG 3.43Å; F667-P755 HydrophobicContact CE2-CB 4.42Å; F667-P755 HydrophobicContact CE2-CG 4.26Å; F667-P755 HydrophobicContact CG-CG 4.16Å; F667-P755 HydrophobicContact CZ-CB 3.7Å; F667-P755 HydrophobicContact CZ-CG 3.77Å; P755-L757 PolarHBondContact O-N 3.05Å; P755-I758 HydrophobicContact CB-CD1 3.81Å; P755-I758 HydrophobicContact CB-CG1 4.27Å; P755-I758 HydrophobicContact CG-CD1 3.76Å; P755-I758 WeakPolarHBondContact O-CB 3.38Å; P755-I758 PolarHBondContact O-N 2.83Å
756K86.3Confident92.6Very high208 Ų20860 Ų6090%0.90431%0.313SS*.THydrogen-bonded Turntrans-56.7-26.4-172.5-70.1-175.8179.1178.60114.8L754 I758L754-K756 PolarHBondContact O-N 2.9Å; K756-I758 VanDerWaalsContact C-N 3.27Å
757L91.8Very high92.6Very high68 Ų6859.8 Ų59.836%0.35631%0.311SS..THydrogen-bonded Turntrans-75.1-17.4-179.3-165.959.7000112.8V680 P687 L689 P755V680-L757 HydrophobicContact CG1-CB 4.17Å; V680-L757 HydrophobicContact CG1-CD2 3.81Å; V680-L757 HydrophobicContact CG1-CG 3.97Å; P687-L757 HydrophobicContact CB-CB 4.27Å; P687-L757 HydrophobicContact CB-CD2 3.85Å; P687-L757 HydrophobicContact CG-CD2 4.4Å; L689-L757 HydrophobicContact CB-CD1 4.43Å; L689-L757 HydrophobicContact CB-CD2 3.79Å; L689-L757 HydrophobicContact CB-CG 4.16Å; L689-L757 HydrophobicContact CD2-CD1 4.46Å; P755-L757 PolarHBondContact O-N 3.05Å
758I93.5Very high92.8Very high0 Ų058.1 Ų58.10%030%0.301CS..  trans-80.2123.9176.5-57.4164.2000108.6F667 V669 E671 V680 L754 P755 K756 R761F667-I758 HydrophobicContact CD2-CD1 4.42Å; F667-I758 HydrophobicContact CE2-CD1 4.08Å; F667-I758 HydrophobicContact CE2-CG1 4.31Å; V669-I758 HydrophobicContact CB-CG1 4.5Å; V669-I758 HydrophobicContact CG1-CG1 4.39Å; V669-I758 HydrophobicContact CG1-CG2 4.29Å; V669-I758 HydrophobicContact CG2-CD1 3.41Å; V669-I758 VanDerWaalsContact CG2-CD1 3.41Å; V669-I758 HydrophobicContact CG2-CG1 3.86Å; E671-I758 WeakPolarHBondContact OE2-CG2 3.29Å; V680-I758 HydrophobicContact CG1-CG1 4.47Å; L754-I758 HydrophobicContact CB-CD1 4.12Å; L754-I758 HydrophobicContact CD1-CG2 4.18Å; L754-I758 HydrophobicContact CD2-CD1 4.29Å; P755-I758 HydrophobicContact CB-CD1 3.81Å; P755-I758 HydrophobicContact CB-CG1 4.27Å; P755-I758 HydrophobicContact CG-CD1 3.76Å; P755-I758 WeakPolarHBondContact O-CB 3.38Å; P755-I758 PolarHBondContact O-N 2.83Å; K756-I758 VanDerWaalsContact C-N 3.27Å; I758-R761 PolarHBondContact O-NH1 2.76Å; I758-R761 PolarHBondContact O-NH2 3.5Å
759A93.6Very high93.1Very high48 Ų4849 Ų4940%0.39726%0.261SS..  trans-86-29.2-17500000112.9E671 V673 R761E671-A759 PolarHBondContact OE1-N 2.8Å; E671-A759 PolarHBondContact OE2-N 3.46Å; V673-A759 HydrophobicContact CG1-CB 3.94Å; V673-A759 HydrophobicContact CG2-CB 3.69Å; A759-R761 PolarHBondContact O-N 2.85Å; A759-R761 PolarHBondContact O-NH1 3.05Å
760S93.6Very high93.3Very high5 Ų545.2 Ų45.24%0.03524%0.235CC..  trans-61.4134-174.4-64.50000112.7L656 E671L656-S760 PolarHBondContact N-OG 3.31Å; E671-S760 WeakPolarHBondContact CB-OG 3.46Å; E671-S760 WeakPolarHBondContact OE2-CB 3.2Å; E671-S760 PolarHBondContact OE2-N 3.33Å; E671-S760 PolarHBondContact OE2-OG 2.89Å
761R93.7Very high93.5Very high131 Ų13143.4 Ų43.449%0.49423%0.227SC..SBendtrans-120.2-3.1173.1-60.5-62.9175-96.5-1113.1I758 A759I758-R761 PolarHBondContact O-NH1 2.76Å; I758-R761 PolarHBondContact O-NH2 3.5Å; A759-R761 PolarHBondContact O-N 2.85Å; A759-R761 PolarHBondContact O-NH1 3.05Å
762D94.8Very high93.6Very high90 Ų9042.3 Ų42.348%0.48122%0.223SC..SBendtrans-138.3165.5175.2-65.5-58.7000108.8K627 L656K627-D762 HydrophobicContact CB-CB 4Å; K627-D762 HydrophobicContact CD-CB 3.81Å; L656-D762 PolarHBondContact N-O 3.3Å
763G96.1Very high93.8Very high0 Ų038.7 Ų38.70%020%0.196CC..BIsolated β-bridgetrans-80.7169.4177.200000112.9K627 G744 Y751K627-G763 WeakPolarHBondContact CB-O 3.33Å; K627-G763 WeakPolarHBondContact O-CA 3.43Å; K627-G763 PolarHBondContact O-N 2.96Å; G744-G763 CarbonylContact O-C 3.55Å; G744-G763 VanDerWaalsContact O-CA 3.28Å; G744-G763 WeakPolarHBondContact O-CA 3.34Å; Y751-G763 WeakPolarHBondContact OH-CA 3.5Å; Y751-G763 PolarHBondContact OH-N 3.48Å
764Y97.1Very high93.9Very high0 Ų034 Ų340%017%0.171CC..  trans-69.3137.1173.3175.8-103.6000111.6F624 F648 K649 T650 L656 M657 G744 C767 L768F624-Y764 HydrophobicContact CD2-CD1 4.37Å; F648-Y764 HydrophobicContact CD2-CE2 4.24Å; K649-Y764 PolarHBondContact N-OH 3.37Å; K649-Y764 PolarHBondContact O-OH 2.9Å; T650-Y764 HydrophobicContact CG2-CE2 3.89Å; L656-Y764 VanDerWaalsContact O-CB 3.24Å; L656-Y764 WeakPolarHBondContact O-CB 3.49Å; L656-Y764 PolarHBondContact O-N 3.35Å; L656-Y764 VanDerWaalsContact O-N 3.12Å; M657-Y764 HydrophobicContact CE-CD2 3.86Å; M657-Y764 HydrophobicContact CE-CE2 3.69Å; M657-Y764 HydrophobicContact CG-CD2 3.72Å; M657-Y764 HydrophobicContact CG-CE2 4.31Å; M657-Y764 HydrophobicContact CG-CG 3.95Å; M657-Y764 HydrophobicContact SD-CD2 4.32Å; M657-Y764 HydrophobicContact SD-CE2 4.33Å; G744-Y764 PolarHBondContact O-N 2.82Å; Y764-C767 PolarHBondContact OH-N 2.92Å; Y764-C767 PolarHBondContact OH-O 3.36Å; Y764-L768 HydrophobicContact CD1-CD2 4.42Å; Y764-L768 HydrophobicContact CD1-CG 4.29Å; Y764-L768 HydrophobicContact CE1-CD2 3.85Å; Y764-L768 HydrophobicContact CE1-CG 3.86Å
765Q95.6Very high93.8Very high30 Ų3033.8 Ų33.814%0.1417%0.173CC..  trans-123.3119.7172.5179-18017.100108R625 K627 T650 T652 W817R625-Q765 WeakPolarHBondContact O-CG 3.29Å; R625-Q765 PolarHBondContact O-NE2 3.28Å; K627-Q765 HydrophobicContact CG-CB 3.94Å; T650-Q765 WeakPolarHBondContact CB-O 2.99Å; T650-Q765 PolarHBondContact OG1-O 2.8Å; T652-Q765 HydrophobicContact CG2-CB 4.07Å; T652-Q765 HydrophobicContact CG2-CG 4.42Å; T652-Q765 PolarHBondContact OG1-O 2.94Å; Q765-W817 HydrophobicContact CG-CB 4Å; Q765-W817 HydrophobicContact CG-CD2 4.44Å; Q765-W817 HydrophobicContact CG-CG 3.72Å
766G95Very high93.9Very high0 Ų038.1 Ų38.10%018%0.184CC..EExtended strand (participates in β ladder)trans153.3-164.6-171.300000112.3F624 K649 W817F624-G766 PolarHBondContact N-O 2.84Å; F624-G766 PolarHBondContact O-N 2.89Å; F624-G766 VanDerWaalsContact O-N 3.1Å; K649-G766 CarbonylContact O-C 3.14Å; K649-G766 WeakPolarHBondContact O-CA 3.44Å; G766-W817 VanDerWaalsContact CA-CZ2 3.5Å
767C96.1Very high94.2Very high0 Ų030.5 Ų30.50%015%0.153CC..EExtended strand (participates in β ladder)trans-103.7146.4173.1-570000112V622 T623 F648 K649 W703 Y764 C795 W817V622-C767 CarbonylContact O-C 3.42Å; V622-C767 VanDerWaalsContact O-CA 3.23Å; V622-C767 WeakPolarHBondContact O-CA 3.5Å; T623-C767 PolarHBondContact OG1-SG 3.48Å; F648-C767 VanDerWaalsContact CA-O 3.29Å; F648-C767 WeakPolarHBondContact CA-O 3.42Å; K649-C767 HydrophobicContact CB-CB 4.4Å; K649-C767 PolarHBondContact N-O 2.84Å; K649-C767 PolarHBondContact O-N 3.33Å; W703-C767 HydrophobicContact CH2-CB 3.5Å; W703-C767 VanDerWaalsContact CH2-CB 3.5Å; W703-C767 HydrophobicContact CZ2-CB 4.06Å; W703-C767 HydrophobicContact CZ3-CB 4.17Å; Y764-C767 PolarHBondContact OH-N 2.92Å; Y764-C767 PolarHBondContact OH-O 3.36Å; C767-C795 HydrophobicContact CB-CB 3.74Å; C767-C795 WeakPolarHBondContact CB-SG 3.4Å; C767-C795 WeakPolarHBondContact SG-CA 3.36Å; C767-C795 WeakPolarHBondContact SG-CB 3.29Å; C767-C795 CovalentContact SG-SG 2.02Å; C767-C795 PolarHBondContact SG-SG 2.97Å; C767-W817 HydrophobicContact CB-CH2 4.44Å; C767-W817 WeakPolarHBondContact SG-CH2 3.32Å
768L97.5Very high94.3Very high5 Ų527.8 Ų27.83%0.02614%0.139CC..EExtended strand (participates in β ladder)trans-120.4144.2163.3-64.6179.1000109.2P621 V622 F624 F646 Q647 F648 I743 Y764 V771 L780P621-L768 CarbonylContact C-O 3.53Å; P621-L768 WeakPolarHBondContact CA-O 3.48Å; V622-L768 PolarHBondContact N-O 3.42Å; V622-L768 PolarHBondContact O-N 3.03Å; F624-L768 HydrophobicContact CD2-CD1 4.44Å; F624-L768 HydrophobicContact CD2-CG 4.42Å; F624-L768 HydrophobicContact CE2-CB 4.21Å; F624-L768 HydrophobicContact CE2-CD1 3.71Å; F624-L768 HydrophobicContact CE2-CG 3.99Å; F624-L768 HydrophobicContact CZ-CD1 4.2Å; F646-L768 HydrophobicContact CD2-CD2 4Å; F646-L768 HydrophobicContact CE2-CD2 4.27Å; Q647-L768 CarbonylContact O-C 3.42Å; Q647-L768 WeakPolarHBondContact O-CA 3.4Å; F648-L768 HydrophobicContact CB-CD2 3.6Å; I743-L768 HydrophobicContact CG2-CD1 3.44Å; I743-L768 VanDerWaalsContact CG2-CD1 3.44Å; Y764-L768 HydrophobicContact CD1-CD2 4.42Å; Y764-L768 HydrophobicContact CD1-CG 4.29Å; Y764-L768 HydrophobicContact CE1-CD2 3.85Å; Y764-L768 HydrophobicContact CE1-CG 3.86Å; L768-V771 HydrophobicContact CB-CG2 4.38Å; L768-L780 HydrophobicContact CB-CD1 4.47Å
769A96Very high94.2Very high1 Ų130 Ų301%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-146.5166.1177.300000110.5I618 A619 P621 Q647 W703 V771I618-A769 HydrophobicContact CG2-CB 3.54Å; A619-A769 WeakPolarHBondContact O-CB 3.5Å; P621-A769 HydrophobicContact CB-CB 4.09Å; Q647-A769 HydrophobicContact CB-CB 4.33Å; Q647-A769 PolarHBondContact N-O 2.93Å; Q647-A769 PolarHBondContact O-N 3.05Å; W703-A769 HydrophobicContact CH2-CB 3.49Å; W703-A769 VanDerWaalsContact CH2-CB 3.49Å; W703-A769 HydrophobicContact CZ2-CB 4.33Å; W703-A769 HydrophobicContact CZ3-CB 3.6Å; A769-V771 PolarHBondContact O-N 3.14Å; A769-V771 VanDerWaalsContact O-N 3.12Å
770S94.8Very high94.2Very high4 Ų427.8 Ų27.83%0.02813%0.133CC..EExtended strand (participates in β ladder)trans52.936.2173.5-50.60000113.5A619 F645 Q647 D772A619-S770 WeakPolarHBondContact CB-OG 3.5Å; A619-S770 PolarHBondContact N-OG 2.99Å; A619-S770 PolarHBondContact O-N 2.81Å; F645-S770 VanDerWaalsContact CD1-O 3.27Å; F645-S770 WeakPolarHBondContact CD1-O 3.47Å; Q647-S770 PolarHBondContact OE1-OG 2.81Å; S770-D772 PolarHBondContact O-N 3.07Å
771V96.4Very high94.2Very high13 Ų1329.4 Ų29.48%0.07914%0.141CC..EExtended strand (participates in β ladder)trans-70.8113.3-175.8-177.40000110.1F645 F646 L768 A769 L773 L777 P778 L780F645-V771 CarbonylContact O-C 3.57Å; F645-V771 WeakPolarHBondContact O-CA 3.38Å; F646-V771 HydrophobicContact CB-CB 4.44Å; F646-V771 HydrophobicContact CB-CG2 3.93Å; L768-V771 HydrophobicContact CB-CG2 4.38Å; A769-V771 PolarHBondContact O-N 3.14Å; A769-V771 VanDerWaalsContact O-N 3.12Å; V771-L773 HydrophobicContact CG1-CD2 3.81Å; V771-L773 HydrophobicContact CG1-CG 3.94Å; V771-L777 WeakPolarHBondContact O-CD2 3.35Å; V771-P778 HydrophobicContact CG1-CG 4.41Å; V771-L780 HydrophobicContact CB-CD2 4.34Å; V771-L780 HydrophobicContact CG1-CD2 4.28Å; V771-L780 HydrophobicContact CG2-CD1 3.91Å; V771-L780 HydrophobicContact CG2-CD2 4.32Å; V771-L780 HydrophobicContact CG2-CG 4.42Å
772D94.6Very high94.2Very high1 Ų126.5 Ų26.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-112.7116.4172.5-1760.2000109.5R475 L644 F645 S770 G775 L777R475-D772 IonicContact CZ-OD2 3.77Å; R475-D772 VanDerWaalsContact NE-CG 3.31Å; R475-D772 IonicContact NE-OD2 2.68Å; R475-D772 PolarHBondContact NE-OD2 2.91Å; R475-D772 IonicContact NH2-OD1 3.46Å; R475-D772 IonicContact NH2-OD2 3.69Å; R475-D772 PolarHBondContact NH2-OD2 3.24Å; R475-D772 VanDerWaalsContact NH2-OD2 3.16Å; L644-D772 WeakPolarHBondContact CA-O 3.08Å; F645-D772 HydrophobicContact CB-CB 4.11Å; F645-D772 PolarHBondContact N-O 3.05Å; F645-D772 VanDerWaalsContact N-O 3.09Å; F645-D772 PolarHBondContact O-N 3.28Å; S770-D772 PolarHBondContact O-N 3.07Å; D772-G775 WeakPolarHBondContact OD1-CA 3.42Å; D772-G775 PolarHBondContact OD1-N 3.32Å; D772-L777 HydrophobicContact CB-CD2 4.27Å
773L94.1Very high94.1Very high18 Ų1825.2 Ų25.29%0.09414%0.138CC..EExtended strand (participates in β ladder)trans-10779.1-179.8-58.9-179.9000109.7L633 L636 L644 L658 L741 V771 G775 R776 P778L633-L773 HydrophobicContact CD1-CD1 3.98Å; L636-L773 HydrophobicContact CD1-CB 3.93Å; L644-L773 HydrophobicContact CD2-CD2 4.22Å; L658-L773 HydrophobicContact CD1-CD2 4.32Å; L741-L773 HydrophobicContact CD2-CD1 3.35Å; L741-L773 HydrophobicContact CD2-CD2 4Å; L741-L773 HydrophobicContact CD2-CG 4.27Å; V771-L773 HydrophobicContact CG1-CD2 3.81Å; V771-L773 HydrophobicContact CG1-CG 3.94Å; L773-G775 VanDerWaalsContact C-N 3.34Å; L773-G775 PolarHBondContact O-N 3.06Å; L773-R776 PolarHBondContact N-O 3.36Å; L773-R776 PolarHBondContact O-N 3.33Å; L773-P778 HydrophobicContact CD1-CG 3.78Å; L773-P778 HydrophobicContact CG-CG 4.23Å
774N91.5Very high94.1Very high34 Ų3426.3 Ų26.318%0.18215%0.147CC..THydrogen-bonded Turntrans55.945.2179.3-153.438.5000113.8L636 Q637 S641 M642 H643L636-N774 HydrophobicContact CD1-CB 4.36Å; Q637-N774 PolarHBondContact O-ND2 2.98Å; S641-N774 PolarHBondContact O-ND2 2.94Å; M642-N774 WeakPolarHBondContact CA-OD1 3.49Å; H643-N774 PolarHBondContact N-OD1 2.73Å; H643-N774 WeakPolarHBondContact O-CA 3.45Å; H643-N774 PolarHBondContact O-N 3.03Å
775G89.2Confident94Very high14 Ų1430.9 Ų30.914%0.14417%0.171CC..THydrogen-bonded Turntrans97.9-13-179.600000113.8Y477 S578 D772 L773Y477-G775 VanDerWaalsContact CD2-CA 3.42Å; S578-G775 WeakPolarHBondContact CB-O 2.99Å; D772-G775 WeakPolarHBondContact OD1-CA 3.42Å; D772-G775 PolarHBondContact OD1-N 3.32Å; L773-G775 VanDerWaalsContact C-N 3.34Å; L773-G775 PolarHBondContact O-N 3.06Å
776R91.8Very high94Very high130 Ų13034.2 Ų34.249%0.49119%0.186SC..BIsolated β-bridgetrans-91.3128.5175-173.6176172.7169.8-2.8110.7L773 P778 D783L773-R776 PolarHBondContact N-O 3.36Å; L773-R776 PolarHBondContact O-N 3.33Å; R776-P778 WeakPolarHBondContact O-CD 3.18Å; R776-D783 IonicContact CZ-OD2 3.84Å; R776-D783 IonicContact NE-OD2 3.44Å; R776-D783 IonicContact NH2-OD2 3.24Å; R776-D783 PolarHBondContact NH2-OD2 2.76Å
777L91.9Very high94Very high48 Ų4839.5 Ų39.525%0.25121%0.209SC..  trans-98.588.4168.9-68.5176000109.4N579 I581 V771 D772N579-L777 HydrophobicContact CB-CD1 4.05Å; I581-L777 HydrophobicContact CD1-CD1 4.17Å; I581-L777 HydrophobicContact CD1-CD2 3.8Å; I581-L777 HydrophobicContact CG1-CD1 4.26Å; V771-L777 WeakPolarHBondContact O-CD2 3.35Å; D772-L777 HydrophobicContact CB-CD2 4.27Å
778P93Very high93.9Very high11 Ų1142.2 Ų42.27%0.07123%0.225CC..  trans-69.9138.6175.232-37.6000110.6L633 V771 L773 R776 L780 D783L633-P778 HydrophobicContact CD1-CB 4.32Å; L633-P778 HydrophobicContact CD1-CG 4.25Å; V771-P778 HydrophobicContact CG1-CG 4.41Å; L773-P778 HydrophobicContact CD1-CG 3.78Å; L773-P778 HydrophobicContact CG-CG 4.23Å; R776-P778 WeakPolarHBondContact O-CD 3.18Å; P778-L780 HydrophobicContact CG-CD2 4.13Å; P778-L780 PolarHBondContact O-N 2.61Å; P778-L780 VanDerWaalsContact O-N 3.15Å; P778-D783 HydrophobicContact CB-CB 4.36Å
779D92.1Very high93.7Very high46 Ų4644.2 Ų44.225%0.24625%0.247CC..  trans-72.3102.6155.3-178.5-42.9000106.8I781 A782 D783 R793D779-I781 PolarHBondContact O-N 2.94Å; D779-I781 PolarHBondContact OD1-N 2.95Å; D779-I781 VanDerWaalsContact OD1-N 3.16Å; D779-A782 HydrophobicContact CB-CB 3.92Å; D779-A782 VanDerWaalsContact CG-CB 3.46Å; D779-A782 PolarHBondContact O-N 3.35Å; D779-A782 WeakPolarHBondContact OD1-CB 3.26Å; D779-A782 PolarHBondContact OD1-N 2.79Å; D779-D783 VanDerWaalsContact O-CB 3.29Å; D779-D783 WeakPolarHBondContact O-CB 3.46Å; D779-D783 PolarHBondContact O-N 2.94Å; D779-R793 IonicContact OD1-CZ 3.75Å; D779-R793 IonicContact OD1-NH1 2.77Å; D779-R793 PolarHBondContact OD1-NH1 2.93Å; D779-R793 IonicContact OD1-NH2 3.91Å; D779-R793 PolarHBondContact OD1-NH2 3.19Å; D779-R793 IonicContact OD2-CZ 2.62Å; D779-R793 IonicContact OD2-NH1 3.22Å; D779-R793 PolarHBondContact OD2-NH1 2.84Å; D779-R793 VanDerWaalsContact OD2-NH1 3.17Å; D779-R793 IonicContact OD2-NH2 2.82Å; D779-R793 PolarHBondContact OD2-NH2 3.49Å
780L93.9Very high93.4Very high3 Ų349.2 Ų49.22%0.01627%0.27CS..THydrogen-bonded Turntrans-53.1-33.3-170.3-70.8178.8000112.8V622 L631 L633 L768 V771 P778 A784V622-L780 HydrophobicContact CB-CD1 4.02Å; V622-L780 HydrophobicContact CG1-CD1 4.49Å; V622-L780 HydrophobicContact CG2-CB 4.15Å; V622-L780 HydrophobicContact CG2-CD1 4.1Å; L631-L780 HydrophobicContact CD1-CB 3.75Å; L631-L780 WeakPolarHBondContact CD1-O 3.34Å; L633-L780 HydrophobicContact CD1-CD2 3.95Å; L768-L780 HydrophobicContact CB-CD1 4.47Å; V771-L780 HydrophobicContact CB-CD2 4.34Å; V771-L780 HydrophobicContact CG1-CD2 4.28Å; V771-L780 HydrophobicContact CG2-CD1 3.91Å; V771-L780 HydrophobicContact CG2-CD2 4.32Å; V771-L780 HydrophobicContact CG2-CG 4.42Å; P778-L780 HydrophobicContact CG-CD2 4.13Å; P778-L780 PolarHBondContact O-N 2.61Å; P778-L780 VanDerWaalsContact O-N 3.15Å; L780-A784 WeakPolarHBondContact O-CB 3.46Å
781I93Very high93.3Very high39 Ų3949 Ų4920%0.227%0.269CS..THydrogen-bonded Turntrans-87.5-43.7-178.5-60.4-176.5000111.3V622 D779 V791 R793V622-I781 HydrophobicContact CG1-CD1 4.19Å; V622-I781 HydrophobicContact CG1-CG1 4.15Å; V622-I781 HydrophobicContact CG2-CD1 4.33Å; V622-I781 HydrophobicContact CG2-CG1 4.26Å; D779-I781 PolarHBondContact O-N 2.94Å; D779-I781 PolarHBondContact OD1-N 2.95Å; D779-I781 VanDerWaalsContact OD1-N 3.16Å; I781-V791 HydrophobicContact CD1-CG1 4.48Å; I781-V791 HydrophobicContact CG1-CG1 4.37Å; I781-R793 HydrophobicContact CD1-CB 4.49Å; I781-R793 HydrophobicContact CD1-CG 3.54Å
782A93.3Very high93.1Very high70 Ų7052.3 Ų52.358%0.57928%0.284SS*.THydrogen-bonded Turntrans-77.7-33.5-17500000113.1D779 A784D779-A782 HydrophobicContact CB-CB 3.92Å; D779-A782 VanDerWaalsContact CG-CB 3.46Å; D779-A782 PolarHBondContact O-N 3.35Å; D779-A782 WeakPolarHBondContact OD1-CB 3.26Å; D779-A782 PolarHBondContact OD1-N 2.79Å; A782-A784 VanDerWaalsContact C-N 3.35Å
783D94Very high93Very high62 Ų6258.1 Ų58.133%0.33231%0.306SS..SBendtrans-86.6-4.8179.2-76.18.2000113L633 R776 P778 D779 L785L633-D783 HydrophobicContact CD2-CB 4.15Å; R776-D783 IonicContact CZ-OD2 3.84Å; R776-D783 IonicContact NE-OD2 3.44Å; R776-D783 IonicContact NH2-OD2 3.24Å; R776-D783 PolarHBondContact NH2-OD2 2.76Å; P778-D783 HydrophobicContact CB-CB 4.36Å; D779-D783 VanDerWaalsContact O-CB 3.29Å; D779-D783 WeakPolarHBondContact O-CB 3.46Å; D779-D783 PolarHBondContact O-N 2.94Å; D783-L785 PolarHBondContact O-N 3.46Å
784A95.3Very high92.7Very high23 Ų2358.4 Ų58.419%0.1931%0.313CS..  trans-63.8125178.800000111.8L631 A632 L633 L780 A782 H786L631-A784 HydrophobicContact CB-CB 4.42Å; L631-A784 HydrophobicContact CD2-CB 3.9Å; A632-A784 CarbonylContact O-C 3.51Å; A632-A784 WeakPolarHBondContact O-CA 3.36Å; L633-A784 HydrophobicContact CD2-CB 4.49Å; L780-A784 WeakPolarHBondContact O-CB 3.46Å; A782-A784 VanDerWaalsContact C-N 3.35Å; A784-H786 VanDerWaalsContact C-N 3.32Å
785L95.9Very high92.6Very high97 Ų9758 Ų5851%0.50831%0.313SS..SBendtrans-65.5-40.9167.7-57.9177.3000110.3A632 E740 D783A632-L785 WeakPolarHBondContact O-CB 3.4Å; A632-L785 PolarHBondContact O-N 3.12Å; E740-L785 HydrophobicContact CG-CD1 4.28Å; D783-L785 PolarHBondContact O-N 3.46Å
786H93.9Very high91.7Very high99 Ų9965 Ų6546%0.45835%0.346SS..EExtended strand (participates in β ladder)trans-138.3135.1177-58.8-57.4000111.1L631 A632 E740 A784L631-H786 WeakPolarHBondContact CA-O 3.28Å; A632-H786 HydrophobicContact CB-CB 3.98Å; A632-H786 PolarHBondContact N-O 2.98Å; A632-H786 PolarHBondContact O-N 3.38Å; E740-H786 IonicContact OE1-CD2 2.78Å; E740-H786 PolarHBondContact OE1-CD2 2.85Å; E740-H786 VanDerWaalsContact OE1-CD2 3.24Å; E740-H786 IonicContact OE1-NE2 3.38Å; E740-H786 PolarHBondContact OE1-NE2 2.76Å; E740-H786 IonicContact OE2-CD2 3.4Å; A784-H786 VanDerWaalsContact C-N 3.32Å
787K95.8Very high90.3Very high112 Ų11259.6 Ų59.649%0.48733%0.331SS..EExtended strand (participates in β ladder)trans-116.5116.3172174.7-179.3173.1173.60109.3L631 V791L631-K787 HydrophobicContact CD2-CB 3.86Å; L631-K787 HydrophobicContact CD2-CG 3.85Å; K787-V791 WeakPolarHBondContact CE-O 3.07Å; K787-V791 PolarHBondContact NZ-O 2.89Å
788V95.1Very high88.8Confident56 Ų5657.9 Ų57.934%0.33932%0.323SS..EExtended strand (participates in β ladder)trans-119.7135.5-179.6179.70000109.7S629 Y630S629-V788 CarbonylContact C-O 3.56Å; S629-V788 VanDerWaalsContact CA-O 3.23Å; S629-V788 WeakPolarHBondContact CA-O 3.38Å; Y630-V788 HydrophobicContact CD1-CB 3.9Å; Y630-V788 HydrophobicContact CD1-CG1 4.13Å; Y630-V788 HydrophobicContact CE1-CB 3.52Å; Y630-V788 HydrophobicContact CE1-CG1 3.57Å; Y630-V788 HydrophobicContact CE1-CG2 3.91Å; Y630-V788 HydrophobicContact CE2-CB 4.19Å; Y630-V788 HydrophobicContact CE2-CG2 3.97Å; Y630-V788 HydrophobicContact CG-CB 4.38Å; Y630-V788 PolarHBondContact N-O 2.79Å; Y630-V788 PolarHBondContact O-N 3.41Å; Y630-V788 WeakPolarHBondContact OH-CG2 3.21Å
789G91.6Very high87.3Confident47 Ų4761.9 Ų61.949%0.48535%0.351SS..SBendtrans77.1-158-176.400000113.5
790Q89.9Confident86.1Confident106 Ų10663.1 Ų63.150%0.49536%0.361SS..  trans-10295-174.8-71.8177.9-3.800109.7R625 S629R625-Q790 HydrophobicContact CB-CB 3.85Å; R625-Q790 WeakPolarHBondContact CB-O 3.02Å; R625-Q790 HydrophobicContact CG-CB 4.19Å; R625-Q790 PolarHBondContact N-O 3.28Å; S629-Q790 PolarHBondContact OG-N 3.41Å; S629-Q790 PolarHBondContact OG-O 2.03Å
791V93.7Very high85.2Confident1 Ų166.8 Ų66.81%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-114.8125.1175.1-173.40000109.4V622 T623 F624 L631 I781 K787V622-V791 HydrophobicContact CG1-CG1 3.34Å; T623-V791 VanDerWaalsContact O-CA 3.29Å; T623-V791 WeakPolarHBondContact O-CA 3.43Å; F624-V791 HydrophobicContact CD1-CG1 4.43Å; F624-V791 HydrophobicContact CD1-CG2 3.83Å; F624-V791 HydrophobicContact CE1-CG1 4.29Å; F624-V791 HydrophobicContact CE1-CG2 4.06Å; F624-V791 HydrophobicContact CZ-CG1 4.44Å; L631-V791 HydrophobicContact CD1-CG1 4.02Å; L631-V791 HydrophobicContact CD2-CB 4.39Å; L631-V791 HydrophobicContact CD2-CG1 4.26Å; L631-V791 HydrophobicContact CD2-CG2 4.28Å; L631-V791 HydrophobicContact CG-CG1 4.26Å; L631-V791 HydrophobicContact CG-CG2 4.37Å; I781-V791 HydrophobicContact CD1-CG1 4.48Å; I781-V791 HydrophobicContact CG1-CG1 4.37Å; K787-V791 WeakPolarHBondContact CE-O 3.07Å; K787-V791 PolarHBondContact NZ-O 2.89Å
792E91.4Very high84.6Confident81 Ų8167 Ų6738%0.37939%0.388SS..EExtended strand (participates in β ladder)trans-132.9152.4-171.9-70.5173.6-15500111.6V622 T623 R625V622-E792 CarbonylContact C-O 3.57Å; V622-E792 WeakPolarHBondContact CA-O 3.29Å; T623-E792 PolarHBondContact N-O 3.39Å; T623-E792 PolarHBondContact O-N 3.41Å; R625-E792 IonicContact CZ-OE1 3.86Å; R625-E792 IonicContact CZ-OE2 3.25Å; R625-E792 VanDerWaalsContact CZ-OE2 3.29Å; R625-E792 IonicContact NE-OE1 2.93Å; R625-E792 PolarHBondContact NE-OE1 2.8Å; R625-E792 IonicContact NE-OE2 3.69Å; R625-E792 PolarHBondContact NE-OE2 3.09Å; R625-E792 IonicContact NH2-OE1 3.2Å; R625-E792 IonicContact NH2-OE2 2.62Å; R625-E792 PolarHBondContact NH2-OE2 3.42Å
793R91.9Very high84Confident124 Ų12467.5 Ų67.547%0.46838%0.384SS..EExtended strand (participates in β ladder)trans-74.6152.1173.6-67.7-164.4-178.5-95-1.9110.5D620 D779 I781D620-R793 IonicContact OD1-NH1 3.94Å; D620-R793 PolarHBondContact OD1-NH1 3.22Å; D620-R793 IonicContact OD2-NH1 3.2Å; D620-R793 PolarHBondContact OD2-NH1 3.29Å; D779-R793 IonicContact OD1-CZ 3.75Å; D779-R793 IonicContact OD1-NH1 2.77Å; D779-R793 PolarHBondContact OD1-NH1 2.93Å; D779-R793 IonicContact OD1-NH2 3.91Å; D779-R793 PolarHBondContact OD1-NH2 3.19Å; D779-R793 IonicContact OD2-CZ 2.62Å; D779-R793 IonicContact OD2-NH1 3.22Å; D779-R793 PolarHBondContact OD2-NH1 2.84Å; D779-R793 VanDerWaalsContact OD2-NH1 3.17Å; D779-R793 IonicContact OD2-NH2 2.82Å; D779-R793 PolarHBondContact OD2-NH2 3.49Å; I781-R793 HydrophobicContact CD1-CB 4.49Å; I781-R793 HydrophobicContact CD1-CG 3.54Å
794G88.9Confident83.2Confident23 Ų2374.1 Ų74.124%0.23741%0.413CS..SBendtrans90.8172.1-178.200000112.4P621 T623P621-G794 WeakPolarHBondContact O-CA 3.38Å; P621-G794 PolarHBondContact O-N 3.29Å; T623-G794 PolarHBondContact N-O 2.77Å; T623-G794 PolarHBondContact OG1-O 2.92Å
795C88.4Confident82.5Confident27 Ų2780.9 Ų80.918%0.18244%0.44CS..  trans-14372.6174.3-173.10000109.3P621 W703 C767 G797P621-C795 HydrophobicContact CB-CB 3.91Å; W703-C795 HydrophobicContact CH2-CB 4.34Å; W703-C795 HydrophobicContact CZ2-CB 3.78Å; C767-C795 HydrophobicContact CB-CB 3.74Å; C767-C795 WeakPolarHBondContact CB-SG 3.4Å; C767-C795 WeakPolarHBondContact SG-CA 3.36Å; C767-C795 WeakPolarHBondContact SG-CB 3.29Å; C767-C795 CovalentContact SG-SG 2.02Å; C767-C795 PolarHBondContact SG-SG 2.97Å; C795-G797 PolarHBondContact O-N 3.06Å
796D70.4Confident82Confident160 Ų16076.8 Ų76.886%0.85642%0.42SS*.  trans-74.9-0.2178.4-63.2-32.1000112.4
797G62.9Low81.8Confident17 Ų1772.7 Ų72.718%0.17540%0.402CS..  trans64.5-160.6-178.300000112.1C795C795-G797 PolarHBondContact O-N 3.06Å
798P61.5Low81.4Confident12 Ų1273.3 Ų73.38%0.07840%0.402CS..  trans-65.4136.4174.5-13.827.2000111.3T800 Q815 Q816 W817P798-T800 PolarHBondContact O-N 2.92Å; P798-Q815 HydrophobicContact CG-CG 4.45Å; P798-Q816 WeakPolarHBondContact CB-O 3.41Å; P798-Q816 VanDerWaalsContact CG-O 3.29Å; P798-Q816 WeakPolarHBondContact CG-O 3.42Å; P798-W817 VanDerWaalsContact CA-O 3.22Å; P798-W817 WeakPolarHBondContact CA-O 3.38Å; P798-W817 WeakPolarHBondContact CB-O 3.36Å
799S59.9Low81.1Confident95 Ų9574.4 Ų74.466%0.66440%0.404SS*.SBendtrans-53.8-24.7179.2-9.20000113.8E818S799-E818 PolarHBondContact OG-O 3.07Å
800T68Low80.8Confident72 Ų7281.4 Ų81.444%0.44242%0.423SS..SBendtrans-144.7135.8176.548.90000110.1P798 Q815 G819P798-T800 PolarHBondContact O-N 2.92Å; T800-Q815 PolarHBondContact O-NE2 2.75Å; T800-G819 CarbonylContact O-C 3.6Å; T800-G819 VanDerWaalsContact OG1-CA 3.28Å; T800-G819 WeakPolarHBondContact OG1-CA 3.35Å
801T75.5Confident80.7Confident79 Ų7976.9 Ų76.949%0.48541%0.405SS..  trans-102.1152.1178.453.80000112.1T803 S806T801-T803 PolarHBondContact O-N 3.44Å; T801-S806 PolarHBondContact O-OG 3Å
802C80Confident80.5Confident45 Ų4580.7 Ų80.730%0.30443%0.429SS..  trans-60.3126169.9-80.60000110.6C813 F820C802-C813 WeakPolarHBondContact CA-SG 3.41Å; C802-C813 HydrophobicContact CB-CB 3.83Å; C802-C813 WeakPolarHBondContact CB-SG 3.23Å; C802-C813 WeakPolarHBondContact SG-CB 3.33Å; C802-C813 CovalentContact SG-SG 2.04Å; C802-C813 PolarHBondContact SG-SG 3.3Å; C802-F820 VanDerWaalsContact SG-CB 3.59Å
803T79.8Confident80.3Confident80 Ų8078.5 Ų78.549%0.49142%0.422SS..  trans-123.9166.5171.963.90000108.6T801 E805 S806T801-T803 PolarHBondContact O-N 3.44Å; T803-E805 PolarHBondContact O-N 3.12Å; T803-E805 VanDerWaalsContact O-N 3.12Å; T803-S806 PolarHBondContact N-OG 3.4Å; T803-S806 VanDerWaalsContact O-CB 3.29Å; T803-S806 WeakPolarHBondContact O-CB 3.4Å; T803-S806 PolarHBondContact O-N 3.02Å; T803-S806 PolarHBondContact O-OG 3.24Å; T803-S806 PolarHBondContact OG1-N 2.79Å; T803-S806 PolarHBondContact OG1-OG 3.03Å
804E76.8Confident79.9Confident201 Ų20176 Ų7694%0.93942%0.417SS*.THydrogen-bonded Turntrans-58.6-24.8177-67.7-170.8167.400112.8
805E81.8Confident79.5Confident165 Ų16577.3 Ų77.377%0.77142%0.417SS*.THydrogen-bonded Turntrans-97.10.2179.6-59.7-172.8167.100113.6T803 C807T803-E805 PolarHBondContact O-N 3.12Å; T803-E805 VanDerWaalsContact O-N 3.12Å; E805-C807 VanDerWaalsContact C-N 3.31Å; E805-C807 PolarHBondContact O-N 3.17Å
806S85.8Confident78.9Confident10 Ų1080 Ų807%0.0743%0.427CS..SBendtrans-64.5-34.2-176.2-76.90000113.1T801 T803 C813 F820 C822T801-S806 PolarHBondContact O-OG 3Å; T803-S806 PolarHBondContact N-OG 3.4Å; T803-S806 VanDerWaalsContact O-CB 3.29Å; T803-S806 WeakPolarHBondContact O-CB 3.4Å; T803-S806 PolarHBondContact O-N 3.02Å; T803-S806 PolarHBondContact O-OG 3.24Å; T803-S806 PolarHBondContact OG1-N 2.79Å; T803-S806 PolarHBondContact OG1-OG 3.03Å; S806-C813 VanDerWaalsContact CB-SG 3.54Å; S806-F820 VanDerWaalsContact CB-CE2 3.48Å; S806-F820 WeakPolarHBondContact O-CE2 3.15Å; S806-C822 PolarHBondContact O-SG 3.4Å
807C88.6Confident78.8Confident13 Ų1372.9 Ų72.99%0.08839%0.388CS..SBendtrans-123.8130.7-179.7-59.40000110.8E805 G811 C813 C822E805-C807 VanDerWaalsContact C-N 3.31Å; E805-C807 PolarHBondContact O-N 3.17Å; C807-G811 VanDerWaalsContact CB-O 3.25Å; C807-G811 WeakPolarHBondContact CB-O 3.38Å; C807-C813 WeakPolarHBondContact SG-CA 3.43Å; C807-C813 WeakPolarHBondContact SG-CB 3.35Å; C807-C822 WeakPolarHBondContact CA-SG 3.4Å; C807-C822 HydrophobicContact CB-CB 3.72Å; C807-C822 WeakPolarHBondContact CB-SG 3.44Å; C807-C822 WeakPolarHBondContact SG-CA 3.48Å; C807-C822 WeakPolarHBondContact SG-CB 3.48Å; C807-C822 CovalentContact SG-SG 2.02Å; C807-C822 PolarHBondContact SG-SG 3.02Å
808Y87.4Confident78.9Confident125 Ų12577.8 Ų77.849%0.4941%0.407SS..SBendtrans-82162.6180-65.9-84.9000111.5Q810 G811 F833 C834 N835Y808-Q810 VanDerWaalsContact C-N 3.28Å; Y808-Q810 PolarHBondContact O-N 2.79Å; Y808-Q810 VanDerWaalsContact O-N 3.16Å; Y808-G811 PolarHBondContact O-N 3.22Å; Y808-F833 HydrophobicContact CD2-CB 4.02Å; Y808-F833 WeakPolarHBondContact CD2-O 3.48Å; Y808-F833 HydrophobicContact CE2-CB 4.39Å; Y808-F833 PolarHBondContact N-O 3.39Å; Y808-C834 WeakPolarHBondContact O-CB 3.26Å; Y808-N835 HydrophobicContact CD2-CB 4.21Å; Y808-N835 HydrophobicContact CG-CB 4.46Å
809H88.3Confident79.6Confident80 Ų8077.6 Ų77.637%0.3741%0.407SS..THydrogen-bonded Turntrans52.838.1173.4-52.1106.4000115.3G811 T827 Y829 C834 N835H809-G811 PolarHBondContact O-N 2.81Å; H809-T827 WeakPolarHBondContact O-CG2 3.24Å; H809-Y829 HydrophobicContact CB-CD2 3.73Å; H809-Y829 HydrophobicContact CB-CE2 4Å; H809-Y829 HydrophobicContact CB-CG 4.38Å; H809-Y829 AromaticContact CD2-CE2 3.56Å; H809-Y829 AromaticContact CD2-CZ 3.63Å; H809-Y829 AromaticContact CE1-CD1 3.71Å; H809-Y829 AromaticContact CE1-CE1 3.44Å; H809-Y829 VanDerWaalsContact CE1-CE1 3.44Å; H809-Y829 WeakPolarHBondContact CE1-CE1 3.48Å; H809-Y829 AromaticContact CE1-CZ 3.63Å; H809-Y829 AromaticContact CG-CD2 3.56Å; H809-Y829 AromaticContact CG-CE2 3.53Å; H809-Y829 AromaticContact CG-CG 4Å; H809-Y829 AromaticContact CG-CZ 3.9Å; H809-Y829 AromaticContact ND1-CD1 3.68Å; H809-Y829 AromaticContact ND1-CD2 3.68Å; H809-Y829 AromaticContact ND1-CE1 3.81Å; H809-Y829 AromaticContact ND1-CE2 3.85Å; H809-Y829 AromaticContact ND1-CG 3.61Å; H809-Y829 AromaticContact ND1-CZ 3.9Å; H809-Y829 AromaticContact NE2-CE1 3.72Å; H809-Y829 AromaticContact NE2-CE2 3.9Å; H809-Y829 AromaticContact NE2-CZ 3.46Å; H809-C834 PolarHBondContact ND1-O 3.49Å; H809-N835 PolarHBondContact CE1-OD1 2.96Å
810Q86.3Confident80.6Confident193 Ų19375 Ų7590%0.90238%0.384SS*.THydrogen-bonded Turntrans6322.8-178.6-53.2179.4-6.200114.2Y808Y808-Q810 VanDerWaalsContact C-N 3.28Å; Y808-Q810 PolarHBondContact O-N 2.79Å; Y808-Q810 VanDerWaalsContact O-N 3.16Å
811G87.2Confident81.4Confident11 Ų1174.6 Ų74.611%0.11338%0.382CS..PPolyproline II helixtrans-58.7141.8167.500000111.1C807 Y808 H809 C813 D823C807-G811 VanDerWaalsContact CB-O 3.25Å; C807-G811 WeakPolarHBondContact CB-O 3.38Å; Y808-G811 PolarHBondContact O-N 3.22Å; H809-G811 PolarHBondContact O-N 2.81Å; G811-C813 PolarHBondContact O-N 3.01Å; G811-D823 WeakPolarHBondContact CA-O 3.42Å
812V89.4Confident82Confident82 Ų8271.7 Ų71.750%0.49736%0.364SS..EExtended strand (participates in β ladder)trans-81.5117.2-178.6-179.50000108.7L814 D823V812-L814 HydrophobicContact CG1-CD2 3.99Å; V812-L814 PolarHBondContact O-N 2.97Å; V812-D823 HydrophobicContact CB-CB 4.27Å; V812-D823 PolarHBondContact N-O 3.32Å; V812-D823 PolarHBondContact O-N 3.49Å
813C87.5Confident82.4Confident35 Ų3572.3 Ų72.324%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-73.1120.9174.5-166.20000110.7C802 S806 C807 G811 F820C802-C813 WeakPolarHBondContact CA-SG 3.41Å; C802-C813 HydrophobicContact CB-CB 3.83Å; C802-C813 WeakPolarHBondContact CB-SG 3.23Å; C802-C813 WeakPolarHBondContact SG-CB 3.33Å; C802-C813 CovalentContact SG-SG 2.04Å; C802-C813 PolarHBondContact SG-SG 3.3Å; S806-C813 VanDerWaalsContact CB-SG 3.54Å; C807-C813 WeakPolarHBondContact SG-CA 3.43Å; C807-C813 WeakPolarHBondContact SG-CB 3.35Å; G811-C813 PolarHBondContact O-N 3.01Å; C813-F820 VanDerWaalsContact SG-CD2 3.5Å
814L83Confident82.8Confident70 Ų7069.4 Ų69.437%0.36635%0.347SS..EExtended strand (participates in β ladder)trans-109.2113.1177.2-59.5-179.7000109V812 Q816 F820 T821 D823V812-L814 HydrophobicContact CG1-CD2 3.99Å; V812-L814 PolarHBondContact O-N 2.97Å; L814-Q816 PolarHBondContact O-N 2.94Å; L814-F820 WeakPolarHBondContact O-CA 3.27Å; L814-T821 PolarHBondContact N-O 2.87Å; L814-T821 PolarHBondContact O-N 3.33Å; L814-D823 HydrophobicContact CD1-CB 3.93Å; L814-D823 HydrophobicContact CG-CB 4.35Å
815Q81.6Confident83.2Confident52 Ų5265.2 Ų65.224%0.24334%0.335CS..EExtended strand (participates in β ladder)trans-69.3125.5177.5-172.26763.200110.6T651 P798 T800 G819T651-Q815 HydrophobicContact CG2-CG 4Å; P798-Q815 HydrophobicContact CG-CG 4.45Å; T800-Q815 PolarHBondContact O-NE2 2.75Å; Q815-G819 PolarHBondContact NE2-O 2.91Å
816Q76.1Confident83.4Confident84 Ų8465.8 Ų65.839%0.39334%0.34SS..  trans-111.2174.3172.4-57.2-60.1-32.300110.5P798 L814 G819 T821P798-Q816 WeakPolarHBondContact CB-O 3.41Å; P798-Q816 VanDerWaalsContact CG-O 3.29Å; P798-Q816 WeakPolarHBondContact CG-O 3.42Å; L814-Q816 PolarHBondContact O-N 2.94Å; Q816-G819 CarbonylContact C-O 3.54Å; Q816-G819 WeakPolarHBondContact CA-O 3.31Å; Q816-G819 VanDerWaalsContact CB-O 3.29Å; Q816-G819 WeakPolarHBondContact CB-O 3.43Å; Q816-G819 PolarHBondContact N-O 3.11Å; Q816-T821 HydrophobicContact CG-CG2 4.01Å
817W67.6Low83.3Confident10 Ų1066.7 Ų66.74%0.03835%0.345CS..SBendtrans-75.1-34.8176.3-172.7-104.6000113.1T623 T651 Q765 G766 C767 P798T623-W817 HydrophobicContact CG2-CZ2 3.72Å; T651-W817 PolarHBondContact OG1-N 2.96Å; Q765-W817 HydrophobicContact CG-CB 4Å; Q765-W817 HydrophobicContact CG-CD2 4.44Å; Q765-W817 HydrophobicContact CG-CG 3.72Å; G766-W817 VanDerWaalsContact CA-CZ2 3.5Å; C767-W817 HydrophobicContact CB-CH2 4.44Å; C767-W817 WeakPolarHBondContact SG-CH2 3.32Å; P798-W817 VanDerWaalsContact CA-O 3.22Å; P798-W817 WeakPolarHBondContact CA-O 3.38Å; P798-W817 WeakPolarHBondContact CB-O 3.36Å
818E65.2Low83.2Confident119 Ų11970.6 Ų70.656%0.55637%0.373SS*.SBendtrans-89.6-4.1179.1-62.2-162.3167.300113.5S799S799-E818 PolarHBondContact OG-O 3.07Å
819G75.3Confident83Confident9 Ų967.1 Ų67.19%0.09336%0.359CS..SBendtrans158.8-146.3-176.100000111.3T800 Q815 Q816T800-G819 CarbonylContact O-C 3.6Å; T800-G819 VanDerWaalsContact OG1-CA 3.28Å; T800-G819 WeakPolarHBondContact OG1-CA 3.35Å; Q815-G819 PolarHBondContact NE2-O 2.91Å; Q816-G819 CarbonylContact C-O 3.54Å; Q816-G819 WeakPolarHBondContact CA-O 3.31Å; Q816-G819 VanDerWaalsContact CB-O 3.29Å; Q816-G819 WeakPolarHBondContact CB-O 3.43Å; Q816-G819 PolarHBondContact N-O 3.11Å
820F80.8Confident82.6Confident39 Ų3963.9 Ų63.917%0.17135%0.347CS..EExtended strand (participates in β ladder)trans-122.9158.2170.369.1-91.4000111.2C802 S806 C813 L814 F833C802-F820 VanDerWaalsContact SG-CB 3.59Å; S806-F820 VanDerWaalsContact CB-CE2 3.48Å; S806-F820 WeakPolarHBondContact O-CE2 3.15Å; C813-F820 VanDerWaalsContact SG-CD2 3.5Å; L814-F820 WeakPolarHBondContact O-CA 3.27Å; F820-F833 AromaticContact CE2-CD1 3.66Å; F820-F833 HydrophobicContact CE2-CD1 3.66Å; F820-F833 AromaticContact CE2-CE1 3.53Å; F820-F833 HydrophobicContact CE2-CE1 3.53Å; F820-F833 AromaticContact CZ-CD1 3.96Å; F820-F833 HydrophobicContact CZ-CD1 3.96Å; F820-F833 AromaticContact CZ-CE1 3.54Å; F820-F833 HydrophobicContact CZ-CE1 3.54Å
821T85Confident82.5Confident65 Ų6556.4 Ų56.440%0.39932%0.322SS..EExtended strand (participates in β ladder)trans-124.1156.9169.855.90000109.7L814 Q816L814-T821 PolarHBondContact N-O 2.87Å; L814-T821 PolarHBondContact O-N 3.33Å; Q816-T821 HydrophobicContact CG-CG2 4.01Å
822C88.4Confident82.3Confident17 Ų1760.4 Ų60.412%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-108.7124176.5-60.70000110.3S806 C807 C824 C834S806-C822 PolarHBondContact O-SG 3.4Å; C807-C822 WeakPolarHBondContact CA-SG 3.4Å; C807-C822 HydrophobicContact CB-CB 3.72Å; C807-C822 WeakPolarHBondContact CB-SG 3.44Å; C807-C822 WeakPolarHBondContact SG-CA 3.48Å; C807-C822 WeakPolarHBondContact SG-CB 3.48Å; C807-C822 CovalentContact SG-SG 2.02Å; C807-C822 PolarHBondContact SG-SG 3.02Å; C822-C824 PolarHBondContact O-N 2.77Å; C822-C824 PolarHBondContact O-SG 2.58Å; C822-C834 WeakPolarHBondContact CB-SG 3.17Å
823D89Confident82.3Confident59 Ų5961.3 Ų61.332%0.31635%0.346SS..EExtended strand (participates in β ladder)trans-82.1106.8168.2-175.9-6.2000109.1G811 V812 L814 T825G811-D823 WeakPolarHBondContact CA-O 3.42Å; V812-D823 HydrophobicContact CB-CB 4.27Å; V812-D823 PolarHBondContact N-O 3.32Å; V812-D823 PolarHBondContact O-N 3.49Å; L814-D823 HydrophobicContact CD1-CB 3.93Å; L814-D823 HydrophobicContact CG-CB 4.35Å; D823-T825 VanDerWaalsContact OD1-CB 3.25Å; D823-T825 WeakPolarHBondContact OD1-CB 3.45Å; D823-T825 WeakPolarHBondContact OD1-CG2 3.28Å; D823-T825 PolarHBondContact OD1-N 2.92Å; D823-T825 PolarHBondContact OD1-OG1 3.11Å
824C88.9Confident82.3Confident18 Ų1859.6 Ų59.612%0.12233%0.334CS..  trans-95.72.5-177.9-440000113.1C822 M826 T827 Y829 G831 C834C822-C824 PolarHBondContact O-N 2.77Å; C822-C824 PolarHBondContact O-SG 2.58Å; C824-M826 PolarHBondContact O-N 3.29Å; C824-T827 WeakPolarHBondContact O-CA 3.47Å; C824-T827 WeakPolarHBondContact O-CB 3.41Å; C824-T827 PolarHBondContact O-N 3.42Å; C824-T827 PolarHBondContact O-OG1 3.01Å; C824-Y829 WeakPolarHBondContact CB-O 3.38Å; C824-G831 PolarHBondContact SG-O 3.24Å; C824-C834 WeakPolarHBondContact CA-SG 2.93Å; C824-C834 HydrophobicContact CB-CB 3.72Å; C824-C834 WeakPolarHBondContact CB-SG 3.3Å; C824-C834 WeakPolarHBondContact SG-CA 3.12Å; C824-C834 WeakPolarHBondContact SG-CB 3.33Å; C824-C834 PolarHBondContact SG-N 3.38Å; C824-C834 CovalentContact SG-SG 2.03Å; C824-C834 PolarHBondContact SG-SG 2.71Å
825T85.2Confident82.6Confident113 Ų11360.4 Ų60.469%0.69334%0.339SS*.THydrogen-bonded Turntrans-61.6-28.4-171.255.70000114.2D823D823-T825 VanDerWaalsContact OD1-CB 3.25Å; D823-T825 WeakPolarHBondContact OD1-CB 3.45Å; D823-T825 WeakPolarHBondContact OD1-CG2 3.28Å; D823-T825 PolarHBondContact OD1-N 2.92Å; D823-T825 PolarHBondContact OD1-OG1 3.11Å
826M85.9Confident82.9Confident178 Ų17862.8 Ų62.888%0.87735%0.353SS*.THydrogen-bonded Turntrans-96.79175.6-65.3-61.6-64.700113.1C824C824-M826 PolarHBondContact O-N 3.29Å
827T83.1Confident82.8Confident28 Ų2866.4 Ų66.417%0.17237%0.37CS..SBendtrans-109.8162.1175.681.10000110.2H809 C824 Y829H809-T827 WeakPolarHBondContact O-CG2 3.24Å; C824-T827 WeakPolarHBondContact O-CA 3.47Å; C824-T827 WeakPolarHBondContact O-CB 3.41Å; C824-T827 PolarHBondContact O-N 3.42Å; C824-T827 PolarHBondContact O-OG1 3.01Å; T827-Y829 PolarHBondContact O-N 2.66Å; T827-Y829 PolarHBondContact OG1-N 3.47Å; T827-Y829 PolarHBondContact OG1-O 2.98Å
828S85.1Confident82.3Confident95 Ų9573.7 Ų73.766%0.66441%0.405SS*.SBendtrans-8514.1172.157.90000113.6
829Y83.8Confident81.8Confident53 Ų5371.5 Ų71.521%0.20841%0.414CS..EExtended strand (participates in β ladder)trans-124.5150.2-173.2-65.2-100000109.9H809 C824 T827 C834 D836 Q837H809-Y829 HydrophobicContact CB-CD2 3.73Å; H809-Y829 HydrophobicContact CB-CE2 4Å; H809-Y829 HydrophobicContact CB-CG 4.38Å; H809-Y829 AromaticContact CD2-CE2 3.56Å; H809-Y829 AromaticContact CD2-CZ 3.63Å; H809-Y829 AromaticContact CE1-CD1 3.71Å; H809-Y829 AromaticContact CE1-CE1 3.44Å; H809-Y829 VanDerWaalsContact CE1-CE1 3.44Å; H809-Y829 WeakPolarHBondContact CE1-CE1 3.48Å; H809-Y829 AromaticContact CE1-CZ 3.63Å; H809-Y829 AromaticContact CG-CD2 3.56Å; H809-Y829 AromaticContact CG-CE2 3.53Å; H809-Y829 AromaticContact CG-CG 4Å; H809-Y829 AromaticContact CG-CZ 3.9Å; H809-Y829 AromaticContact ND1-CD1 3.68Å; H809-Y829 AromaticContact ND1-CD2 3.68Å; H809-Y829 AromaticContact ND1-CE1 3.81Å; H809-Y829 AromaticContact ND1-CE2 3.85Å; H809-Y829 AromaticContact ND1-CG 3.61Å; H809-Y829 AromaticContact ND1-CZ 3.9Å; H809-Y829 AromaticContact NE2-CE1 3.72Å; H809-Y829 AromaticContact NE2-CE2 3.9Å; H809-Y829 AromaticContact NE2-CZ 3.46Å; C824-Y829 WeakPolarHBondContact CB-O 3.38Å; T827-Y829 PolarHBondContact O-N 2.66Å; T827-Y829 PolarHBondContact OG1-N 3.47Å; T827-Y829 PolarHBondContact OG1-O 2.98Å; Y829-C834 VanDerWaalsContact CB-O 3.29Å; Y829-C834 WeakPolarHBondContact CB-O 3.48Å; Y829-D836 CarbonylContact C-O 3.59Å; Y829-D836 WeakPolarHBondContact CA-O 3.41Å; Y829-D836 WeakPolarHBondContact CB-O 3.15Å; Y829-Q837 HydrophobicContact CD1-CG 3.96Å; Y829-Q837 HydrophobicContact CE1-CG 3.62Å
830G79.8Confident80.5Confident12 Ų1280.4 Ų80.412%0.12445%0.45CS..EExtended strand (participates in β ladder)trans-112.1-164171.900000111.9C834 N835 D836G830-C834 CarbonylContact O-C 3.53Å; G830-C834 WeakPolarHBondContact O-CA 3.33Å; G830-N835 PolarHBondContact O-N 3.3Å; G830-N835 VanDerWaalsContact O-N 3.1Å; G830-D836 PolarHBondContact N-O 3.4Å; G830-D836 WeakPolarHBondContact O-CB 3.08Å; G830-D836 PolarHBondContact O-N 3.18Å
831G83.9Confident78.7Confident36 Ų3685.8 Ų85.837%0.37148%0.48SS..THydrogen-bonded Turntrans83.1171.3-179.800000113.9C824 F833 C834 D836C824-G831 PolarHBondContact SG-O 3.24Å; G831-F833 PolarHBondContact O-N 2.98Å; G831-F833 VanDerWaalsContact O-N 3.1Å; G831-C834 PolarHBondContact O-N 3.12Å; G831-D836 WeakPolarHBondContact CA-OD2 3.42Å
832S84.2Confident76.8Confident94 Ų9488.6 Ų88.666%0.65750%0.501SS*.THydrogen-bonded Turntrans-62.8-21.1-170.6-42.50000114.8
833F88.9Confident74.5Confident101 Ų10193.6 Ų93.644%0.44353%0.526SS..THydrogen-bonded Turntrans-128.316.7-177.1-56.3-71.6000113.3Y808 F820 G831 N835Y808-F833 HydrophobicContact CD2-CB 4.02Å; Y808-F833 WeakPolarHBondContact CD2-O 3.48Å; Y808-F833 HydrophobicContact CE2-CB 4.39Å; Y808-F833 PolarHBondContact N-O 3.39Å; F820-F833 AromaticContact CE2-CD1 3.66Å; F820-F833 HydrophobicContact CE2-CD1 3.66Å; F820-F833 AromaticContact CE2-CE1 3.53Å; F820-F833 HydrophobicContact CE2-CE1 3.53Å; F820-F833 AromaticContact CZ-CD1 3.96Å; F820-F833 HydrophobicContact CZ-CD1 3.96Å; F820-F833 AromaticContact CZ-CE1 3.54Å; F820-F833 HydrophobicContact CZ-CE1 3.54Å; G831-F833 PolarHBondContact O-N 2.98Å; G831-F833 VanDerWaalsContact O-N 3.1Å; F833-N835 PolarHBondContact O-N 3.23Å
834C87.9Confident72.3Confident0 Ų099.4 Ų99.40%055%0.549CS..THydrogen-bonded Turntrans58.243.6-177.1-44.20000113.9Y808 H809 C822 C824 Y829 G830 G831Y808-C834 WeakPolarHBondContact O-CB 3.26Å; H809-C834 PolarHBondContact ND1-O 3.49Å; C822-C834 WeakPolarHBondContact CB-SG 3.17Å; C824-C834 WeakPolarHBondContact CA-SG 2.93Å; C824-C834 HydrophobicContact CB-CB 3.72Å; C824-C834 WeakPolarHBondContact CB-SG 3.3Å; C824-C834 WeakPolarHBondContact SG-CA 3.12Å; C824-C834 WeakPolarHBondContact SG-CB 3.33Å; C824-C834 PolarHBondContact SG-N 3.38Å; C824-C834 CovalentContact SG-SG 2.03Å; C824-C834 PolarHBondContact SG-SG 2.71Å; Y829-C834 VanDerWaalsContact CB-O 3.29Å; Y829-C834 WeakPolarHBondContact CB-O 3.48Å; G830-C834 CarbonylContact O-C 3.53Å; G830-C834 WeakPolarHBondContact O-CA 3.33Å; G831-C834 PolarHBondContact O-N 3.12Å
835N89.9Confident69.6Low87 Ų87110.3 Ų110.347%0.46559%0.587SS.*  trans-120.9-8.3-176.6-16032.4000113.6Y808 H809 G830 F833Y808-N835 HydrophobicContact CD2-CB 4.21Å; Y808-N835 HydrophobicContact CG-CB 4.46Å; H809-N835 PolarHBondContact CE1-OD1 2.96Å; G830-N835 PolarHBondContact O-N 3.3Å; G830-N835 VanDerWaalsContact O-N 3.1Å; F833-N835 PolarHBondContact O-N 3.23Å
836D86.6Confident67.8Low102 Ų102110.4 Ų110.455%0.54559%0.59SS.*EExtended strand (participates in β ladder)trans-88.2131179.6-58.9-19.8000109.2Y829 G830 G831 E838Y829-D836 CarbonylContact C-O 3.59Å; Y829-D836 WeakPolarHBondContact CA-O 3.41Å; Y829-D836 WeakPolarHBondContact CB-O 3.15Å; G830-D836 PolarHBondContact N-O 3.4Å; G830-D836 WeakPolarHBondContact O-CB 3.08Å; G830-D836 PolarHBondContact O-N 3.18Å; G831-D836 WeakPolarHBondContact CA-OD2 3.42Å; D836-E838 PolarHBondContact O-N 3.21Å
837Q74.2Confident65.6Low159 Ų159109.3 Ų109.374%0.74362%0.624SS**EExtended strand (participates in β ladder)trans-76.3116.2172.9-80.2-178.2-26.200109.9Y829 G839Y829-Q837 HydrophobicContact CD1-CG 3.96Å; Y829-Q837 HydrophobicContact CE1-CG 3.62Å; Q837-G839 PolarHBondContact O-N 2.89Å; Q837-G839 VanDerWaalsContact O-N 3.12Å
838E57.8Low64.8Low163 Ų163113.4 Ų113.476%0.76265%0.647SS**  trans-68.2111.4167.2-87.3-165156.400109.2D836 K840D836-E838 PolarHBondContact O-N 3.21Å; E838-K840 PolarHBondContact O-N 2.99Å
839G54.7Low63.7Low73 Ų73114.4 Ų114.475%0.75365%0.646SS**  trans-60.4119.8-178.400000112Q837 L841Q837-G839 PolarHBondContact O-N 2.89Å; Q837-G839 VanDerWaalsContact O-N 3.12Å; G839-L841 PolarHBondContact O-N 3.43Å; G839-L841 VanDerWaalsContact O-N 3.07Å
840K48Very low62.6Low196 Ų196117.8 Ų117.885%0.85267%0.67SS**  trans-55.2113.1163.8-79.5-179.4176.4175.80109.5E838 C842E838-K840 PolarHBondContact O-N 2.99Å; K840-C842 PolarHBondContact O-N 3.19Å
841L42Very low61.6Low152 Ų152124 Ų12480%0.79670%0.702SS**  trans-55.1107.2165.3-154.183.9000108.8G839 L843G839-L841 PolarHBondContact O-N 3.43Å; G839-L841 VanDerWaalsContact O-N 3.07Å; L841-L843 HydrophobicContact CD2-CD1 3.76Å; L841-L843 HydrophobicContact CD2-CG 4.39Å; L841-L843 PolarHBondContact O-N 2.99Å
842C44.7Very low60.2Low124 Ų124129.5 Ų129.584%0.83872%0.723SS**  trans-75.6111.1170.1-74.60000109K840K840-C842 PolarHBondContact O-N 3.19Å
843L41.8Very low58.6Low123 Ų123131.9 Ų131.964%0.64473%0.727SS**  trans-128118.3165.9-84.4170.5000110.7L841L841-L843 HydrophobicContact CD2-CD1 3.76Å; L841-L843 HydrophobicContact CD2-CG 4.39Å; L841-L843 PolarHBondContact O-N 2.99Å
844F41.2Very low56.4Low181 Ų181134.1 Ų134.179%0.79475%0.748SS**  trans67.5118.3154.9-73.5-82.4000121.5
845R32.8Very low54Low247 Ų247144.4 Ų144.493%0.93281%0.805SS**  trans-122.5123.9135.3-93.5-168.7176.3-178.6-0.6109.4
846P48Very low51Low115 Ų115149.2 Ų149.275%0.74783%0.834SS**  trans-97.9147.6151.934.2-24.7000110.6
847G40Very low47.7Very low155 Ų155153.5 Ų153.5100%1.59886%0.86SS**  trans90.60165.900000115.2

Retrieved 847 of 847 residues in 725.3 ms (Link to these results)

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