A0A077YZT5_TRITR Loading...

Laminin-like protein epi-1

AlphaFold DB , UniProt , Accession A0A077YZT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 340 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
1M50.3Low77.2Confident149 Ų14967.4 Ų67.473%0.73434%0.338SS*.  0132.80176.5170.3-82.900107.6K3 P177M1-K3 PolarHBondContact O-N 3.17Å; M1-P177 HydrophobicContact CE-CB 3.55Å; M1-P177 WeakPolarHBondContact CE-O 3.18Å; M1-P177 HydrophobicContact SD-CB 3.36Å; M1-P177 WeakPolarHBondContact SD-CB 3.29Å
2V54.5Low78.1Confident93 Ų9361.8 Ų61.856%0.56431%0.31SS*.  trans-68.2112.7174.3179.20000107L4 W181V2-L4 HydrophobicContact CG1-CB 3.53Å; V2-L4 PolarHBondContact O-N 3.37Å; V2-W181 HydrophobicContact CG1-CG 4.44Å
3K63.6Low78.8Confident117 Ų11757.6 Ų57.651%0.50929%0.29SS..  trans-75.7-2.8178.3-73.4-171175.3-174.10113.2M1 G5 S205M1-K3 PolarHBondContact O-N 3.17Å; K3-G5 PolarHBondContact O-N 3.09Å; K3-S205 PolarHBondContact NZ-O 3.14Å
4L69.3Low79.6Confident76 Ų7653.7 Ų53.740%0.39827%0.27SS..  trans-66.3128.5-177.7-165.771.4000111.4V2 W181 A194V2-L4 HydrophobicContact CG1-CB 3.53Å; V2-L4 PolarHBondContact O-N 3.37Å; L4-W181 HydrophobicContact CD2-CZ2 3.87Å; L4-W181 HydrophobicContact CG-CZ2 4.44Å; L4-W181 PolarHBondContact O-NE1 3.37Å; L4-A194 WeakPolarHBondContact CD1-O 3.23Å
5G81.3Confident80.3Confident0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-65.8167.6167.400000114.5K3 I168 E169 A194K3-G5 PolarHBondContact O-N 3.09Å; G5-I168 WeakPolarHBondContact CA-O 3.47Å; G5-E169 WeakPolarHBondContact CA-OE1 3.5Å; G5-E169 PolarHBondContact N-OE1 3.45Å; G5-A194 PolarHBondContact O-N 3.02Å
6V87.9Confident80.8Confident1 Ų149.4 Ų49.41%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-114.5129.3174.6-177.50000108.3F8 L14 Q167 I168 L180 W181 N190V6-F8 HydrophobicContact CB-CD2 4.2Å; V6-F8 HydrophobicContact CB-CE2 3.59Å; V6-F8 HydrophobicContact CB-CZ 4.14Å; V6-F8 HydrophobicContact CG1-CD2 4.03Å; V6-F8 HydrophobicContact CG1-CE1 4.49Å; V6-F8 HydrophobicContact CG1-CE2 3.65Å; V6-F8 HydrophobicContact CG1-CZ 3.94Å; V6-F8 WeakPolarHBondContact O-CD2 3.25Å; V6-L14 HydrophobicContact CG1-CD1 4.26Å; V6-L14 HydrophobicContact CG2-CD1 4.16Å; V6-Q167 WeakPolarHBondContact O-CA 3.43Å; V6-I168 PolarHBondContact N-O 2.79Å; V6-I168 PolarHBondContact O-N 2.82Å; V6-L180 HydrophobicContact CG2-CB 3.66Å; V6-L180 HydrophobicContact CG2-CD1 4.11Å; V6-W181 HydrophobicContact CG2-CD2 4.32Å; V6-W181 HydrophobicContact CG2-CZ2 3.82Å; V6-N190 HydrophobicContact CG1-CB 4.23Å
7R90.9Very high80.8Confident58 Ų5854.5 Ų54.522%0.21927%0.265CS..EExtended strand (participates in β ladder)trans-81.6121.8166.2-179.575-172.5-163.52.1107.4Y9 G166 N190 S192R7-Y9 HydrophobicContact CB-CE2 4.48Å; R7-Y9 HydrophobicContact CG-CE1 4.07Å; R7-Y9 HydrophobicContact CG-CE2 3.95Å; R7-G166 CarbonylContact C-O 3.59Å; R7-G166 WeakPolarHBondContact CA-O 3.48Å; R7-G166 WeakPolarHBondContact CD-O 3.49Å; R7-N190 PolarHBondContact O-OD1 3.25Å; R7-S192 PolarHBondContact N-O 3.27Å
8F91.6Very high80.5Confident0 Ų054.4 Ų54.40%026%0.263CS..EExtended strand (participates in β ladder)trans-99.3142.6175.3-72.6-95.2000110.7V6 S12 L14 I146 F164 N165 G166 I168 N190V6-F8 HydrophobicContact CB-CD2 4.2Å; V6-F8 HydrophobicContact CB-CE2 3.59Å; V6-F8 HydrophobicContact CB-CZ 4.14Å; V6-F8 HydrophobicContact CG1-CD2 4.03Å; V6-F8 HydrophobicContact CG1-CE1 4.49Å; V6-F8 HydrophobicContact CG1-CE2 3.65Å; V6-F8 HydrophobicContact CG1-CZ 3.94Å; V6-F8 WeakPolarHBondContact O-CD2 3.25Å; F8-S12 WeakPolarHBondContact CA-OG 3.27Å; F8-S12 VanDerWaalsContact CD1-OG 3.31Å; F8-S12 WeakPolarHBondContact CD1-OG 3.36Å; F8-L14 HydrophobicContact CE1-CD1 3.99Å; F8-L14 HydrophobicContact CE1-CG 3.82Å; F8-L14 HydrophobicContact CE2-CD1 4.49Å; F8-L14 HydrophobicContact CZ-CD1 3.5Å; F8-L14 HydrophobicContact CZ-CG 3.89Å; F8-I146 WeakPolarHBondContact CE1-O 3.3Å; F8-I146 HydrophobicContact CE2-CG2 4.41Å; F8-I146 HydrophobicContact CZ-CB 4.35Å; F8-I146 HydrophobicContact CZ-CG2 3.8Å; F8-F164 HydrophobicContact CB-CD1 4.01Å; F8-F164 WeakPolarHBondContact CB-O 3.37Å; F8-F164 HydrophobicContact CG-CD1 4.41Å; F8-N165 PolarHBondContact O-OD1 2.88Å; F8-G166 PolarHBondContact N-O 2.84Å; F8-G166 PolarHBondContact O-N 2.91Å; F8-G166 VanDerWaalsContact O-N 3.14Å; F8-I168 HydrophobicContact CD2-CB 4.13Å; F8-I168 HydrophobicContact CD2-CD1 3.88Å; F8-I168 HydrophobicContact CD2-CG1 3.86Å; F8-I168 HydrophobicContact CE2-CB 3.72Å; F8-I168 HydrophobicContact CE2-CD1 3.73Å; F8-I168 HydrophobicContact CE2-CG1 3.85Å; F8-I168 HydrophobicContact CZ-CD1 4.23Å; F8-N190 WeakPolarHBondContact CD1-ND2 3.23Å; F8-N190 WeakPolarHBondContact CE1-ND2 3.29Å
9Y90Very high79.9Confident81 Ų8154.3 Ų54.332%0.31828%0.277SS..  trans-119.2162173.4-57.2-79.4000109.9R7 N11 S12 F164R7-Y9 HydrophobicContact CB-CE2 4.48Å; R7-Y9 HydrophobicContact CG-CE1 4.07Å; R7-Y9 HydrophobicContact CG-CE2 3.95Å; Y9-N11 WeakPolarHBondContact CB-OD1 3.31Å; Y9-N11 PolarHBondContact O-N 2.86Å; Y9-S12 PolarHBondContact N-OG 3.04Å; Y9-S12 VanDerWaalsContact O-CB 3.28Å; Y9-S12 WeakPolarHBondContact O-CB 3.19Å; Y9-S12 PolarHBondContact O-N 2.83Å; Y9-S12 PolarHBondContact O-OG 3.37Å; Y9-F164 CarbonylContact C-O 3.09Å
10P86Confident79.3Confident74 Ų7458.5 Ų58.548%0.48130%0.3SS..THydrogen-bonded Turntrans-57.6-14.8179.5-27.335.8000115.8H163 N165P10-H163 VanDerWaalsContact O-CB 3.28Å; P10-H163 WeakPolarHBondContact O-CB 3.34Å; P10-H163 PolarHBondContact O-CD2 2.89Å; P10-H163 PolarHBondContact O-ND1 2.94Å; P10-N165 HydrophobicContact CG-CB 4.29Å
11N84.1Confident78.6Confident92 Ų9256.2 Ų56.249%0.49229%0.288SS..THydrogen-bonded Turntrans-108.616.6177.665.6-14.7000112.7Y9 N189Y9-N11 WeakPolarHBondContact CB-OD1 3.31Å; Y9-N11 PolarHBondContact O-N 2.86Å; N11-N189 PolarHBondContact ND2-ND2 2.86Å; N11-N189 PolarHBondContact O-ND2 3.43Å
12S87.1Confident79.4Confident0 Ų049.9 Ų49.90%026%0.257CS..  trans-111.6151.8-174.478.20000111.9F8 Y9 N190F8-S12 WeakPolarHBondContact CA-OG 3.27Å; F8-S12 VanDerWaalsContact CD1-OG 3.31Å; F8-S12 WeakPolarHBondContact CD1-OG 3.36Å; Y9-S12 PolarHBondContact N-OG 3.04Å; Y9-S12 VanDerWaalsContact O-CB 3.28Å; Y9-S12 WeakPolarHBondContact O-CB 3.19Å; Y9-S12 PolarHBondContact O-N 2.83Å; Y9-S12 PolarHBondContact O-OG 3.37Å; S12-N190 WeakPolarHBondContact CB-ND2 3.5Å; S12-N190 WeakPolarHBondContact CB-OD1 3.39Å; S12-N190 PolarHBondContact OG-ND2 2.69Å; S12-N190 PolarHBondContact OG-OD1 3.06Å
13T87.5Confident80.1Confident8 Ų853.6 Ų53.65%0.04927%0.266CS..  trans-156.4152.4-178.9-71.40000107.3F145 G148 V149 P150 D186T13-F145 HydrophobicContact CG2-CD1 3.93Å; T13-F145 HydrophobicContact CG2-CE1 4.46Å; T13-G148 VanDerWaalsContact CG2-O 3.27Å; T13-G148 WeakPolarHBondContact CG2-O 3.41Å; T13-V149 PolarHBondContact OG1-N 2.9Å; T13-V149 PolarHBondContact OG1-O 2.9Å; T13-P150 HydrophobicContact CG2-CG 4.34Å; T13-D186 CarbonylContact C-O 3.6Å
14L89.9Confident80.5Confident3 Ų353.7 Ų53.72%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-130.5122.4164.1-61177.6000109V6 F8 F145 I146 L180 F183 N190V6-L14 HydrophobicContact CG1-CD1 4.26Å; V6-L14 HydrophobicContact CG2-CD1 4.16Å; F8-L14 HydrophobicContact CE1-CD1 3.99Å; F8-L14 HydrophobicContact CE1-CG 3.82Å; F8-L14 HydrophobicContact CE2-CD1 4.49Å; F8-L14 HydrophobicContact CZ-CD1 3.5Å; F8-L14 HydrophobicContact CZ-CG 3.89Å; L14-F145 CarbonylContact O-C 3.5Å; L14-F145 VanDerWaalsContact O-CA 3.28Å; L14-F145 WeakPolarHBondContact O-CA 3.36Å; L14-I146 HydrophobicContact CB-CB 4.32Å; L14-I146 PolarHBondContact N-O 2.99Å; L14-I146 PolarHBondContact O-N 3.47Å; L14-L180 HydrophobicContact CD1-CB 4.15Å; L14-L180 WeakPolarHBondContact CD1-O 3.42Å; L14-F183 HydrophobicContact CD2-CB 4.42Å; L14-F183 HydrophobicContact CD2-CD1 3.76Å; L14-F183 HydrophobicContact CD2-CE1 4.2Å; L14-F183 HydrophobicContact CD2-CG 4.11Å; L14-N190 HydrophobicContact CD2-CB 4.45Å
15E90.4Very high81Confident28 Ų2850.1 Ų50.113%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-90.5118.4165.9-172179.3149.500109.1K143 F145 F183 A184E15-K143 HydrophobicContact CG-CD 4.44Å; E15-K143 VanDerWaalsContact OE1-CD 3.32Å; E15-K143 WeakPolarHBondContact OE1-CD 3.33Å; E15-K143 IonicContact OE1-NZ 2.68Å; E15-K143 PolarHBondContact OE1-NZ 2.76Å; E15-K143 IonicContact OE2-NZ 3.04Å; E15-K143 PolarHBondContact OE2-NZ 3.16Å; E15-F145 HydrophobicContact CB-CD1 3.86Å; E15-F145 HydrophobicContact CB-CE1 3.72Å; E15-F145 HydrophobicContact CG-CD1 4.11Å; E15-F145 HydrophobicContact CG-CE1 3.77Å; E15-F183 CarbonylContact O-C 3.53Å; E15-F183 WeakPolarHBondContact O-CA 3.43Å; E15-F183 VanDerWaalsContact O-CB 3.28Å; E15-F183 WeakPolarHBondContact O-CB 3.34Å; E15-A184 PolarHBondContact O-N 2.65Å
16L87.7Confident81.2Confident10 Ų1054.2 Ų54.25%0.05227%0.267CS..BIsolated β-bridgetrans-95150.1178.8-62.1-171.8000112.5K18 L144 I146 L171 K178 L180 F183L16-K18 PolarHBondContact O-N 3.33Å; L16-L144 HydrophobicContact CB-CD2 4.07Å; L16-L144 HydrophobicContact CB-CG 4.32Å; L16-L144 HydrophobicContact CD1-CD2 4.33Å; L16-L144 PolarHBondContact N-O 3.31Å; L16-I146 HydrophobicContact CD1-CD1 4.21Å; L16-I146 HydrophobicContact CD1-CG1 3.62Å; L16-I146 HydrophobicContact CG-CG1 3.91Å; L16-L171 HydrophobicContact CD1-CD2 3.32Å; L16-K178 HydrophobicContact CD1-CB 4.41Å; L16-L180 HydrophobicContact CD1-CD2 4.25Å; L16-F183 HydrophobicContact CD2-CB 4.06Å
17Y82Confident81.1Confident137 Ų13756.9 Ų56.954%0.53729%0.289SS..PPolyproline II helixtrans-63118.8171.2-69-73.9000111.1A184Y17-A184 HydrophobicContact CD1-CB 3.77Å; Y17-A184 HydrophobicContact CD2-CB 4.29Å; Y17-A184 HydrophobicContact CE1-CB 3.62Å; Y17-A184 HydrophobicContact CE2-CB 4.17Å; Y17-A184 HydrophobicContact CG-CB 4.11Å
18K75.1Confident81.2Confident53 Ų5359 Ų5923%0.2330%0.302CS..  trans-66.3-36.7171.963.9-165-174.266.70112.9L16 D20 L21 L22 K139L16-K18 PolarHBondContact O-N 3.33Å; K18-D20 PolarHBondContact O-N 3.34Å; K18-L21 HydrophobicContact CB-CD2 4.49Å; K18-L21 WeakPolarHBondContact O-CB 3.38Å; K18-L21 PolarHBondContact O-N 3.49Å; K18-L22 HydrophobicContact CD-CD1 4.13Å; K18-L22 HydrophobicContact CD-CG 4.46Å; K18-K139 WeakPolarHBondContact CE-O 3.33Å; K18-K139 PolarHBondContact NZ-O 2.78Å
19G68.7Low81.2Confident51 Ų5159 Ų5953%0.52630%0.302SS..THydrogen-bonded Turntrans52.6-139.2-173.800000112.6L21G19-L21 PolarHBondContact O-N 2.9Å
20D67.3Low81.3Confident138 Ų13857 Ų5774%0.73830%0.297SS*.THydrogen-bonded Turntrans-787.3175.3-66.4-40.3000114.1K18 L22 K23K18-D20 PolarHBondContact O-N 3.34Å; D20-L22 PolarHBondContact O-N 3.3Å; D20-L22 VanDerWaalsContact O-N 3.09Å; D20-K23 PolarHBondContact O-N 2.87Å
21L65.5Low81.7Confident11 Ų1153.6 Ų53.66%0.05827%0.274CS..Hα-helixtrans-50.5-38.5-176.1177.466.4000113.4K18 G19 K23 K24 V25 L47 L144 L173K18-L21 HydrophobicContact CB-CD2 4.49Å; K18-L21 WeakPolarHBondContact O-CB 3.38Å; K18-L21 PolarHBondContact O-N 3.49Å; G19-L21 PolarHBondContact O-N 2.9Å; L21-K23 PolarHBondContact O-N 3.37Å; L21-K24 PolarHBondContact O-N 3.07Å; L21-V25 HydrophobicContact CD1-CG1 3.59Å; L21-V25 HydrophobicContact CG-CG1 3.85Å; L21-V25 PolarHBondContact O-N 3.48Å; L21-L47 HydrophobicContact CD2-CD1 4.36Å; L21-L144 HydrophobicContact CD2-CD2 4.32Å; L21-L173 HydrophobicContact CD1-CD1 3.93Å; L21-L173 HydrophobicContact CD1-CD2 3.14Å; L21-L173 HydrophobicContact CD1-CG 3.36Å; L21-L173 HydrophobicContact CD2-CD2 3.48Å; L21-L173 VanDerWaalsContact CD2-CD2 3.48Å; L21-L173 HydrophobicContact CG-CD2 3.89Å
22L66.2Low82.2Confident16 Ų1649.7 Ų49.78%0.08425%0.254CS..Hα-helixtrans-58.3-36.6-171.1-59.7-177.8000112.4K18 D20 K24 L137 K139K18-L22 HydrophobicContact CD-CD1 4.13Å; K18-L22 HydrophobicContact CD-CG 4.46Å; D20-L22 PolarHBondContact O-N 3.3Å; D20-L22 VanDerWaalsContact O-N 3.09Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 2.73Å; L22-L137 HydrophobicContact CD2-CB 3.66Å; L22-L137 HydrophobicContact CD2-CD1 3.75Å; L22-L137 HydrophobicContact CD2-CG 4.4Å; L22-K139 VanDerWaalsContact CD1-CA 3.41Å; L22-K139 HydrophobicContact CD1-CB 4.17Å; L22-K139 HydrophobicContact CD1-CG 4.32Å
23K69.2Low82.6Confident172 Ų17249.7 Ų49.775%0.74825%0.254SS*.Hα-helixtrans-71.4-23.9178.4-67.1-173.7176.1-1760113.4D20 L21D20-K23 PolarHBondContact O-N 2.87Å; L21-K23 PolarHBondContact O-N 3.37Å
24K71.7Confident83Confident119 Ų11950.5 Ų50.552%0.51726%0.257SS..Hα-helixtrans-87.4-26.5-177.4-65.2-171.2177.9-172.60112.4L21 L22 H174L21-K24 PolarHBondContact O-N 3.07Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 2.73Å; K24-H174 PolarHBondContact O-CE1 3.24Å
25V81.4Confident83.3Confident0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-92-9.2-170.7-62.60000114.9L21 Q28 T29 R105 L137 H174L21-V25 HydrophobicContact CD1-CG1 3.59Å; L21-V25 HydrophobicContact CG-CG1 3.85Å; L21-V25 PolarHBondContact O-N 3.48Å; V25-Q28 CarbonylContact C-O 3.59Å; V25-Q28 WeakPolarHBondContact CA-O 3.22Å; V25-T29 HydrophobicContact CG1-CG2 4.32Å; V25-T29 PolarHBondContact O-OG1 3.23Å; V25-T29 VanDerWaalsContact O-OG1 3.09Å; V25-R105 PolarHBondContact O-NH2 2.81Å; V25-L137 HydrophobicContact CG2-CD1 3.51Å; V25-L137 HydrophobicContact CG2-CG 4.44Å; V25-H174 WeakPolarHBondContact CG1-NE2 3.41Å
26E85.1Confident83.6Confident86 Ų8652 Ų5240%0.40226%0.261SS..THydrogen-bonded Turntrans-60.9-58.9-173-81.2171.8-166.900112.8R105 I134 L135E26-R105 PolarHBondContact O-NH2 2.98Å; E26-I134 HydrophobicContact CB-CG2 3.96Å; E26-I134 HydrophobicContact CG-CG2 4.33Å; E26-I134 WeakPolarHBondContact O-CA 3.09Å; E26-L135 PolarHBondContact O-N 3.22Å
27A86.2Confident84Confident58 Ų5851.6 Ų51.648%0.47926%0.259SS..THydrogen-bonded Turntrans-91.5-25.4-177.800000113.5G107 I134A27-G107 PolarHBondContact O-N 3.18Å; A27-I134 HydrophobicContact CB-CD1 4.05Å
28Q91.6Very high84.7Confident102 Ų10250.4 Ų50.448%0.47726%0.259SS..EExtended strand (participates in β ladder)trans-140.3145.6-179.2178.1178.10.800109.3V25 R105 V106 H174V25-Q28 CarbonylContact C-O 3.59Å; V25-Q28 WeakPolarHBondContact CA-O 3.22Å; Q28-R105 CarbonylContact C-O 3.58Å; Q28-R105 WeakPolarHBondContact CA-O 3.25Å; Q28-R105 WeakPolarHBondContact CG-O 3.33Å; Q28-V106 HydrophobicContact CG-CG2 4.19Å; Q28-H174 PolarHBondContact O-CE1 3Å; Q28-H174 PolarHBondContact O-NE2 2.8Å
29T91.6Very high85.8Confident1 Ų152.3 Ų52.31%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-133.6131.5172.8-50.70000108.9V25 L65 E104 R105V25-T29 HydrophobicContact CG1-CG2 4.32Å; V25-T29 PolarHBondContact O-OG1 3.23Å; V25-T29 VanDerWaalsContact O-OG1 3.09Å; T29-L65 HydrophobicContact CG2-CD2 3.69Å; T29-E104 CarbonylContact O-C 3.52Å; T29-E104 VanDerWaalsContact O-CA 3.31Å; T29-E104 WeakPolarHBondContact O-CA 3.34Å; T29-R105 PolarHBondContact N-O 2.77Å; T29-R105 PolarHBondContact O-N 3.36Å; T29-R105 PolarHBondContact OG1-NE 3.04Å; T29-R105 PolarHBondContact OG1-NH2 2.87Å
30D92.2Very high87.1Confident39 Ų3953 Ų5321%0.20926%0.26CS..EExtended strand (participates in β ladder)trans-130.3109.2172.2164.638.2000108L173 H174D30-L173 CarbonylContact O-C 3.56Å; D30-L173 WeakPolarHBondContact O-CA 3.04Å; D30-L173 WeakPolarHBondContact O-CD1 3.35Å; D30-H174 PolarHBondContact N-CE1 3.19Å; D30-H174 PolarHBondContact O-N 2.98Å
31I94.4Very high88.6Confident1 Ų148.5 Ų48.51%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-134.3131.8179.1-170.8171.1000109.5F45 V103 L171 V172 L173I31-F45 HydrophobicContact CD1-CD1 4.04Å; I31-F45 HydrophobicContact CD1-CD2 4.07Å; I31-F45 HydrophobicContact CD1-CE1 4Å; I31-F45 HydrophobicContact CD1-CE2 4.07Å; I31-F45 HydrophobicContact CD1-CG 4.1Å; I31-F45 HydrophobicContact CD1-CZ 4.04Å; I31-F45 HydrophobicContact CG1-CE1 4.35Å; I31-F45 HydrophobicContact CG2-CE1 3.78Å; I31-F45 HydrophobicContact CG2-CE2 4.26Å; I31-F45 HydrophobicContact CG2-CZ 3.49Å; I31-F45 VanDerWaalsContact CG2-CZ 3.49Å; I31-V103 HydrophobicContact CG2-CB 3.77Å; I31-V103 HydrophobicContact CG2-CG1 4.37Å; I31-V103 PolarHBondContact N-O 3.12Å; I31-V103 PolarHBondContact O-N 2.9Å; I31-L171 HydrophobicContact CD1-CD1 4.02Å; I31-L171 HydrophobicContact CG1-CD1 3.87Å; I31-V172 WeakPolarHBondContact CA-O 3.39Å; I31-L173 HydrophobicContact CB-CD1 3.84Å; I31-L173 HydrophobicContact CD1-CD1 4.17Å; I31-L173 HydrophobicContact CG1-CD1 4.05Å
32S95.1Very high90.1Very high11 Ų1148 Ų488%0.07723%0.233CC..EExtended strand (participates in β ladder)trans-138.4150.2174.160.80000111.8A101 L171 V172S32-A101 CarbonylContact C-O 3.52Å; S32-A101 WeakPolarHBondContact CA-O 3.25Å; S32-A101 WeakPolarHBondContact CB-O 3.22Å; S32-L171 CarbonylContact O-C 3.45Å; S32-L171 WeakPolarHBondContact O-CA 3.37Å; S32-V172 PolarHBondContact N-O 2.85Å; S32-V172 PolarHBondContact O-N 2.9Å
33L95.4Very high91.5Very high0 Ų047.2 Ų47.20%023%0.23CC..EExtended strand (participates in β ladder)trans-149.3159176.359.682.2000110.1F35 L44 F45 K100 A101 I168 L171L33-F35 HydrophobicContact CD1-CB 3.91Å; L33-F35 HydrophobicContact CD1-CD1 3.69Å; L33-F35 HydrophobicContact CD1-CG 4.16Å; L33-L44 HydrophobicContact CD1-CD1 4.45Å; L33-L44 HydrophobicContact CD1-CD2 4.37Å; L33-L44 HydrophobicContact CD2-CB 4.37Å; L33-F45 HydrophobicContact CD2-CD1 3.8Å; L33-K100 WeakPolarHBondContact O-CA 3.23Å; L33-A101 PolarHBondContact N-O 3.38Å; L33-A101 PolarHBondContact O-N 3.17Å; L33-I168 HydrophobicContact CB-CG2 4.25Å; L33-I168 HydrophobicContact CD1-CG2 4.27Å; L33-I168 HydrophobicContact CD2-CG2 4.36Å; L33-L171 HydrophobicContact CB-CD1 4.12Å; L33-L171 HydrophobicContact CD2-CD1 4.29Å
34F95.6Very high92.9Very high25 Ų2539 Ų3911%0.1119%0.194CC..EExtended strand (participates in β ladder)trans-99.9140.3168.3-60.8-94.9000108.7W98 H99 K100 I168 E169 L200F34-W98 HydrophobicContact CB-CE3 4.01Å; F34-W98 HydrophobicContact CB-CZ3 4.04Å; F34-H99 CarbonylContact C-O 3.44Å; F34-H99 VanDerWaalsContact CA-O 3.25Å; F34-H99 WeakPolarHBondContact CA-O 3.43Å; F34-K100 HydrophobicContact CD1-CB 3.78Å; F34-K100 HydrophobicContact CD1-CG 4.13Å; F34-K100 HydrophobicContact CE1-CB 3.7Å; F34-K100 HydrophobicContact CE1-CD 3.94Å; F34-K100 HydrophobicContact CE1-CG 3.86Å; F34-K100 HydrophobicContact CE2-CG 4.5Å; F34-K100 HydrophobicContact CZ-CB 4.4Å; F34-K100 HydrophobicContact CZ-CD 3.85Å; F34-K100 HydrophobicContact CZ-CG 4.06Å; F34-I168 CarbonylContact O-C 3.52Å; F34-I168 VanDerWaalsContact O-CA 3.28Å; F34-I168 WeakPolarHBondContact O-CA 3.46Å; F34-E169 HydrophobicContact CB-CB 4.15Å; F34-E169 PolarHBondContact N-O 2.79Å; F34-E169 PolarHBondContact O-N 3Å; F34-L200 HydrophobicContact CD1-CB 4.21Å; F34-L200 HydrophobicContact CD1-CD1 3.94Å; F34-L200 HydrophobicContact CE1-CB 3.76Å; F34-L200 HydrophobicContact CE1-CD1 4.12Å
35F96.8Very high94.1Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-146.3158.9176.970.3-76.3000112.1L33 L44 V69 V93 H99 A101 F164 Q167 I168L33-F35 HydrophobicContact CD1-CB 3.91Å; L33-F35 HydrophobicContact CD1-CD1 3.69Å; L33-F35 HydrophobicContact CD1-CG 4.16Å; F35-L44 HydrophobicContact CB-CD2 3.67Å; F35-L44 HydrophobicContact CD1-CD1 4.04Å; F35-L44 HydrophobicContact CD1-CD2 4.47Å; F35-L44 HydrophobicContact CD2-CD1 4.07Å; F35-L44 HydrophobicContact CD2-CD2 3.91Å; F35-L44 HydrophobicContact CE1-CD1 4.12Å; F35-L44 HydrophobicContact CE2-CD1 4.14Å; F35-L44 HydrophobicContact CG-CD1 4.01Å; F35-L44 HydrophobicContact CG-CD2 3.76Å; F35-L44 HydrophobicContact CZ-CD1 4.16Å; F35-V69 HydrophobicContact CD2-CG2 4.38Å; F35-V69 HydrophobicContact CE2-CG2 3.89Å; F35-V93 HydrophobicContact CE2-CB 3.77Å; F35-V93 HydrophobicContact CE2-CG2 3.71Å; F35-V93 HydrophobicContact CZ-CB 3.69Å; F35-V93 HydrophobicContact CZ-CG1 4.07Å; F35-V93 HydrophobicContact CZ-CG2 3.77Å; F35-H99 HydrophobicContact CD1-CB 4.31Å; F35-H99 HydrophobicContact CE1-CB 3.74Å; F35-H99 HydrophobicContact CZ-CB 3.86Å; F35-H99 PolarHBondContact N-O 3.23Å; F35-H99 PolarHBondContact O-N 3.4Å; F35-A101 HydrophobicContact CD1-CB 4.33Å; F35-A101 HydrophobicContact CE1-CB 3.79Å; F35-F164 HydrophobicContact CB-CZ 4.17Å; F35-F164 HydrophobicContact CD2-CE2 4.39Å; F35-F164 HydrophobicContact CD2-CZ 4.17Å; F35-Q167 CarbonylContact C-O 3.21Å; F35-Q167 WeakPolarHBondContact CA-O 3.41Å; F35-I168 HydrophobicContact CB-CG1 4.34Å
36R96Very high94.7Very high62 Ų6233.6 Ų33.623%0.23417%0.17CC..EExtended strand (participates in β ladder)trans-145.7128.2176.6-178.8169.481.1111.2-2.3110N96 R97 W98 G166 Q167R36-N96 VanDerWaalsContact CD-O 3.27Å; R36-N96 WeakPolarHBondContact CD-O 3.35Å; R36-N96 WeakPolarHBondContact CG-O 3.34Å; R36-N96 PolarHBondContact NH1-OD1 3.47Å; R36-R97 WeakPolarHBondContact CA-O 3.19Å; R36-R97 WeakPolarHBondContact CG-O 3.45Å; R36-W98 HydrophobicContact CB-CD2 3.88Å; R36-W98 HydrophobicContact CB-CE3 3.92Å; R36-W98 HydrophobicContact CB-CG 4.37Å; R36-W98 HydrophobicContact CB-CZ2 4.44Å; R36-W98 HydrophobicContact CB-CZ3 4.25Å; R36-G166 CarbonylContact O-C 3.53Å; R36-G166 WeakPolarHBondContact O-CA 3.14Å; R36-Q167 VanDerWaalsContact CZ-OE1 3.3Å; R36-Q167 PolarHBondContact N-O 3.25Å; R36-Q167 PolarHBondContact O-N 2.93Å
37T96.8Very high95.1Very high2 Ų229.6 Ų29.61%0.01215%0.152CC..  trans-154.7153.8178.8-171.90000111.8Y39 V69 S94 D95 N96 F164 N165T37-Y39 PolarHBondContact OG1-N 2.88Å; T37-V69 HydrophobicContact CG2-CG2 4.21Å; T37-S94 CarbonylContact O-C 3.58Å; T37-S94 VanDerWaalsContact O-CA 3.31Å; T37-S94 WeakPolarHBondContact O-CA 3.22Å; T37-D95 PolarHBondContact O-N 2.82Å; T37-N96 VanDerWaalsContact O-CA 3.3Å; T37-N96 WeakPolarHBondContact O-CA 3.45Å; T37-N96 PolarHBondContact O-N 3.45Å; T37-F164 HydrophobicContact CG2-CE2 3.76Å; T37-F164 HydrophobicContact CG2-CZ 4.07Å; T37-N165 WeakPolarHBondContact CB-O 2.93Å; T37-N165 PolarHBondContact OG1-O 2.84Å
38E97.1Very high95.5Very high111 Ų11126.9 Ų26.952%0.51913%0.129SC..SBendtrans-104.7-2.1167.166.6-166139.400112N96E38-N96 HydrophobicContact CB-CB 4.2Å
39Y97.4Very high95.3Very high93 Ų9322.8 Ų22.837%0.36511%0.111SC..  trans-90.6135.7-176.2-65-90000110.2T37 D41 S94 N165T37-Y39 PolarHBondContact OG1-N 2.88Å; Y39-D41 PolarHBondContact O-N 3.04Å; Y39-S94 VanDerWaalsContact O-CB 3.25Å; Y39-S94 WeakPolarHBondContact O-CB 3.47Å; Y39-N165 HydrophobicContact CD2-CB 3.6Å; Y39-N165 WeakPolarHBondContact CD2-O 3.37Å; Y39-N165 HydrophobicContact CE2-CB 3.74Å; Y39-N165 WeakPolarHBondContact CE2-ND2 3.4Å; Y39-N165 WeakPolarHBondContact CE2-OD1 3.29Å; Y39-N165 HydrophobicContact CG-CB 4.04Å; Y39-N165 PolarHBondContact OH-ND2 3.42Å; Y39-N165 VanDerWaalsContact OH-ND2 3.08Å
40P97.3Very high94.8Very high65 Ų6526 Ų2642%0.42213%0.125SC..SBendtrans-74.2-11.5-175.730.6-36.1000113.2K70 D71 G72P40-K70 CarbonylContact O-C 3.55Å; P40-D71 PolarHBondContact O-N 3.03Å; P40-G72 PolarHBondContact O-N 2.97Å
41D97.5Very high93.8Very high44 Ų4426.6 Ų26.624%0.23514%0.141CC..  trans-141.6143.6-177.7-61.7-90.2000112.4Y39 V69 K70 N161Y39-D41 PolarHBondContact O-N 3.04Å; D41-V69 CarbonylContact C-O 3.53Å; D41-V69 VanDerWaalsContact CA-O 3.22Å; D41-V69 WeakPolarHBondContact CA-O 3.33Å; D41-K70 WeakPolarHBondContact OD1-CD 3.37Å; D41-K70 IonicContact OD1-NZ 2.6Å; D41-K70 PolarHBondContact OD1-NZ 2.84Å; D41-N161 HydrophobicContact CB-CB 4.17Å; D41-N161 WeakPolarHBondContact CB-ND2 3.47Å; D41-N161 PolarHBondContact OD1-ND2 2.86Å
42G96.7Very high92.4Very high0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans163.2150.5168.200000114.9L44 E68 V69 H163G42-L44 PolarHBondContact O-N 2.7Å; G42-E68 CarbonylContact O-C 3.46Å; G42-E68 VanDerWaalsContact O-CA 3.27Å; G42-E68 WeakPolarHBondContact O-CA 3.25Å; G42-E68 WeakPolarHBondContact O-CB 3.4Å; G42-V69 PolarHBondContact N-O 2.94Å; G42-V69 PolarHBondContact O-N 2.88Å; G42-H163 WeakPolarHBondContact CA-O 3.31Å
43L97.4Very high90.9Very high1 Ų134 Ų341%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-83.9112.3-175.6-178.365.8000112.8F45 F46 A66 E68 G147 V149 L155 I159 N161 F164L43-F45 WeakPolarHBondContact CD1-O 3.41Å; L43-F46 HydrophobicContact CD2-CB 4.17Å; L43-A66 HydrophobicContact CD1-CB 4.27Å; L43-E68 HydrophobicContact CD1-CB 4.4Å; L43-G147 CarbonylContact O-C 3.55Å; L43-G147 VanDerWaalsContact O-C 3.3Å; L43-G147 WeakPolarHBondContact O-CA 3.44Å; L43-V149 HydrophobicContact CD2-CG1 3.79Å; L43-L155 HydrophobicContact CD2-CD1 4.27Å; L43-L155 HydrophobicContact CD2-CD2 4.37Å; L43-I159 HydrophobicContact CD1-CG2 4.13Å; L43-N161 WeakPolarHBondContact CB-O 3.11Å; L43-F164 VanDerWaalsContact O-CB 3.3Å; L43-F164 WeakPolarHBondContact O-CB 3.46Å
44L97.6Very high89.4Confident0 Ų038.7 Ų38.70%022%0.22CC..EExtended strand (participates in β ladder)trans-77.6-49.9179.3-70.1168000111.9L33 F35 G42 L67 V69 G147 F164 I168L33-L44 HydrophobicContact CD1-CD1 4.45Å; L33-L44 HydrophobicContact CD1-CD2 4.37Å; L33-L44 HydrophobicContact CD2-CB 4.37Å; F35-L44 HydrophobicContact CB-CD2 3.67Å; F35-L44 HydrophobicContact CD1-CD1 4.04Å; F35-L44 HydrophobicContact CD1-CD2 4.47Å; F35-L44 HydrophobicContact CD2-CD1 4.07Å; F35-L44 HydrophobicContact CD2-CD2 3.91Å; F35-L44 HydrophobicContact CE1-CD1 4.12Å; F35-L44 HydrophobicContact CE2-CD1 4.14Å; F35-L44 HydrophobicContact CG-CD1 4.01Å; F35-L44 HydrophobicContact CG-CD2 3.76Å; F35-L44 HydrophobicContact CZ-CD1 4.16Å; G42-L44 PolarHBondContact O-N 2.7Å; L44-L67 WeakPolarHBondContact CA-O 3.44Å; L44-L67 HydrophobicContact CB-CB 4.45Å; L44-L67 HydrophobicContact CB-CD2 4.22Å; L44-L67 HydrophobicContact CB-CG 4.27Å; L44-L67 WeakPolarHBondContact CB-O 3.25Å; L44-L67 HydrophobicContact CD1-CD2 3.74Å; L44-L67 HydrophobicContact CD1-CG 3.89Å; L44-L67 PolarHBondContact N-O 2.8Å; L44-V69 HydrophobicContact CD1-CG2 4.09Å; L44-V69 HydrophobicContact CG-CG2 4.37Å; L44-G147 PolarHBondContact O-N 2.84Å; L44-F164 HydrophobicContact CD2-CD1 4.19Å; L44-F164 HydrophobicContact CD2-CD2 3.66Å; L44-F164 HydrophobicContact CD2-CE1 3.97Å; L44-F164 HydrophobicContact CD2-CE2 3.4Å; L44-F164 VanDerWaalsContact CD2-CE2 3.4Å; L44-F164 HydrophobicContact CD2-CG 4.05Å; L44-F164 HydrophobicContact CD2-CZ 3.57Å; L44-F164 HydrophobicContact CG-CD2 4.28Å; L44-F164 HydrophobicContact CG-CE2 4.26Å; L44-I168 HydrophobicContact CD2-CD1 3.96Å; L44-I168 HydrophobicContact CD2-CG1 4.22Å
45F96.2Very high87.9Confident2 Ų240 Ų401%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-148.8156.4170.175.7-104000112.4I31 L33 L43 L65 A66 L67 V103 F145 I146I31-F45 HydrophobicContact CD1-CD1 4.04Å; I31-F45 HydrophobicContact CD1-CD2 4.07Å; I31-F45 HydrophobicContact CD1-CE1 4Å; I31-F45 HydrophobicContact CD1-CE2 4.07Å; I31-F45 HydrophobicContact CD1-CG 4.1Å; I31-F45 HydrophobicContact CD1-CZ 4.04Å; I31-F45 HydrophobicContact CG1-CE1 4.35Å; I31-F45 HydrophobicContact CG2-CE1 3.78Å; I31-F45 HydrophobicContact CG2-CE2 4.26Å; I31-F45 HydrophobicContact CG2-CZ 3.49Å; I31-F45 VanDerWaalsContact CG2-CZ 3.49Å; L33-F45 HydrophobicContact CD2-CD1 3.8Å; L43-F45 WeakPolarHBondContact CD1-O 3.41Å; F45-L65 HydrophobicContact CE2-CD2 4.34Å; F45-L65 HydrophobicContact CE2-CG 4.05Å; F45-L65 HydrophobicContact CZ-CD2 4.47Å; F45-L65 HydrophobicContact CZ-CG 4.36Å; F45-A66 WeakPolarHBondContact O-CA 3.42Å; F45-L67 HydrophobicContact CD1-CB 3.5Å; F45-L67 VanDerWaalsContact CD1-CB 3.5Å; F45-L67 HydrophobicContact CD1-CD2 4Å; F45-L67 HydrophobicContact CD1-CG 4.39Å; F45-L67 HydrophobicContact CE1-CB 3.18Å; F45-L67 HydrophobicContact CE1-CD2 3.71Å; F45-L67 HydrophobicContact CE1-CG 4.07Å; F45-L67 HydrophobicContact CE2-CB 4.35Å; F45-L67 HydrophobicContact CG-CB 4.22Å; F45-L67 HydrophobicContact CZ-CB 3.64Å; F45-L67 PolarHBondContact N-O 2.97Å; F45-L67 VanDerWaalsContact N-O 3.09Å; F45-L67 PolarHBondContact O-N 2.85Å; F45-V103 HydrophobicContact CE1-CG2 4.32Å; F45-V103 HydrophobicContact CZ-CG2 4.3Å; F45-F145 CarbonylContact C-O 3.56Å; F45-F145 WeakPolarHBondContact CA-O 3.25Å; F45-F145 WeakPolarHBondContact CB-O 3.16Å; F45-I146 HydrophobicContact CB-CD1 3.71Å
46F95.1Very high86.1Confident3 Ų349.6 Ų49.61%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-133.1128.7169.4-178.7-85.9000110.3L43 Y64 A66 L144 F145 V149 F153 L155 P156 I159L43-F46 HydrophobicContact CD2-CB 4.17Å; F46-Y64 HydrophobicContact CD2-CD2 4.42Å; F46-Y64 AromaticContact CE2-CD2 3.73Å; F46-Y64 HydrophobicContact CE2-CD2 3.73Å; F46-Y64 HydrophobicContact CE2-CE2 4.49Å; F46-Y64 HydrophobicContact CE2-CG 4.04Å; F46-Y64 HydrophobicContact CZ-CD2 4.39Å; F46-Y64 HydrophobicContact CZ-CG 4.26Å; F46-A66 HydrophobicContact CD2-CB 4Å; F46-L144 CarbonylContact O-C 3.57Å; F46-L144 WeakPolarHBondContact O-CA 3.34Å; F46-F145 HydrophobicContact CB-CB 4.41Å; F46-F145 HydrophobicContact CD1-CD2 4.2Å; F46-F145 PolarHBondContact N-O 2.89Å; F46-F145 PolarHBondContact O-N 3.24Å; F46-V149 HydrophobicContact CB-CG1 4.38Å; F46-F153 HydrophobicContact CD1-CE1 4.13Å; F46-F153 HydrophobicContact CD1-CZ 4.1Å; F46-F153 AromaticContact CE1-CE1 3.67Å; F46-F153 HydrophobicContact CE1-CE1 3.67Å; F46-F153 AromaticContact CE1-CZ 3.45Å; F46-F153 HydrophobicContact CE1-CZ 3.45Å; F46-F153 VanDerWaalsContact CE1-CZ 3.45Å; F46-F153 AromaticContact CZ-CE1 3.93Å; F46-F153 HydrophobicContact CZ-CE1 3.93Å; F46-F153 AromaticContact CZ-CZ 3.99Å; F46-F153 HydrophobicContact CZ-CZ 3.99Å; F46-L155 HydrophobicContact CD2-CD2 3.47Å; F46-L155 VanDerWaalsContact CD2-CD2 3.47Å; F46-L155 HydrophobicContact CE2-CD2 3.65Å; F46-L155 HydrophobicContact CG-CD2 4.04Å; F46-L155 HydrophobicContact CZ-CD2 4.34Å; F46-P156 HydrophobicContact CE2-CG 4.08Å; F46-I159 HydrophobicContact CD2-CD1 4Å; F46-I159 HydrophobicContact CE2-CD1 4.18Å
47L94.1Very high84.5Confident2 Ų250.7 Ų50.71%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-125.7108.2172.9176.364.5000108.6L21 Y64 L65 L135 L137 K143 L144L21-L47 HydrophobicContact CD2-CD1 4.36Å; L47-Y64 CarbonylContact O-C 3.59Å; L47-Y64 VanDerWaalsContact O-CA 3.27Å; L47-Y64 WeakPolarHBondContact O-CA 3.3Å; L47-L65 PolarHBondContact N-O 3.05Å; L47-L65 PolarHBondContact O-N 2.91Å; L47-L135 HydrophobicContact CD2-CD2 4.27Å; L47-L137 HydrophobicContact CD1-CD1 3.75Å; L47-L137 HydrophobicContact CD2-CD1 3.94Å; L47-L137 HydrophobicContact CG-CD1 3.75Å; L47-K143 WeakPolarHBondContact CA-O 3.4Å; L47-L144 HydrophobicContact CB-CD1 4.16Å; L47-L144 HydrophobicContact CD1-CB 4.14Å; L47-L144 HydrophobicContact CD1-CD1 4.31Å
48G93Very high82.8Confident0 Ų058.2 Ų58.20%033%0.329CS..EExtended strand (participates in β ladder)trans-173.6171.3-176.200000113.8D63 S142 K143G48-D63 WeakPolarHBondContact CA-O 3.21Å; G48-S142 CarbonylContact O-C 3.54Å; G48-S142 WeakPolarHBondContact O-CA 3.37Å; G48-K143 PolarHBondContact N-O 3.26Å; G48-K143 VanDerWaalsContact N-O 3.13Å; G48-K143 PolarHBondContact O-N 3.36Å
49N89Confident81.2Confident17 Ų1758.2 Ų58.29%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-73132.6176.5-63.8-51.4000111.3P61 D63 N136 N138 S142N49-P61 WeakPolarHBondContact CB-O 3.35Å; N49-P61 WeakPolarHBondContact ND2-CB 3.47Å; N49-P61 PolarHBondContact ND2-O 3.11Å; N49-P61 VanDerWaalsContact ND2-O 3.07Å; N49-D63 PolarHBondContact N-O 2.89Å; N49-D63 PolarHBondContact ND2-O 2.9Å; N49-N136 PolarHBondContact ND2-O 3.18Å; N49-N138 WeakPolarHBondContact OD1-CB 3.24Å; N49-N138 PolarHBondContact OD1-N 3.4Å; N49-S142 PolarHBondContact OD1-OG 3.43Å
50Q81Confident79.7Confident68 Ų6854.8 Ų54.832%0.31832%0.323SS..PPolyproline II helixtrans-73.7135.3163.2-167.1171.2-4.400109.2N52 F141 F153Q50-N52 PolarHBondContact O-N 2.86Å; Q50-F141 VanDerWaalsContact CB-O 3.27Å; Q50-F141 WeakPolarHBondContact CB-O 3.27Å; Q50-F141 PolarHBondContact N-O 3.13Å; Q50-F153 HydrophobicContact CB-CD2 4.38Å; Q50-F153 HydrophobicContact CB-CE2 3.69Å; Q50-F153 HydrophobicContact CG-CD2 3.87Å; Q50-F153 HydrophobicContact CG-CE2 3.66Å
51G70Confident78.5Confident52 Ų5254.1 Ų54.154%0.53632%0.319SS..PPolyproline II helixtrans-53.6130.8168.500000110.3
52N66.1Low77.9Confident32 Ų3255.9 Ų55.917%0.17133%0.331CS..  trans-111116.1176.2-177.3-10.1000109Q50 S54 V55 F141Q50-N52 PolarHBondContact O-N 2.86Å; N52-S54 PolarHBondContact ND2-OG 3.03Å; N52-S54 PolarHBondContact O-N 3.45Å; N52-S54 WeakPolarHBondContact OD1-CB 3.21Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-S54 PolarHBondContact OD1-OG 3.06Å; N52-V55 HydrophobicContact CB-CB 4.44Å; N52-V55 HydrophobicContact CB-CG2 3.98Å; N52-V55 PolarHBondContact O-N 3.03Å; N52-F141 WeakPolarHBondContact ND2-CE1 3.37Å; N52-F141 WeakPolarHBondContact ND2-CE2 3.31Å; N52-F141 WeakPolarHBondContact ND2-CZ 3.28Å
53P62.4Low77.7Confident135 Ų13556 Ų5688%0.87733%0.332SS*.THydrogen-bonded Turntrans-57.2-22.3178.1-22.431.3000114.2
54S63.6Low77.6Confident99 Ų9956.3 Ų56.369%0.69233%0.333SS*.THydrogen-bonded Turntrans-84.1-9.4178.964.70000114.5N52N52-S54 PolarHBondContact ND2-OG 3.03Å; N52-S54 PolarHBondContact O-N 3.45Å; N52-S54 WeakPolarHBondContact OD1-CB 3.21Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-S54 PolarHBondContact OD1-OG 3.06Å
55V64.2Low77.5Confident51 Ų5156.4 Ų56.431%0.30933%0.333SS..SBendtrans-101.8132.3175.1-174.90000107.9N52 A57 D59 A60N52-V55 HydrophobicContact CB-CB 4.44Å; N52-V55 HydrophobicContact CB-CG2 3.98Å; N52-V55 PolarHBondContact O-N 3.03Å; V55-A57 PolarHBondContact O-N 3.03Å; V55-D59 HydrophobicContact CG1-CB 3.94Å; V55-A60 HydrophobicContact CB-CB 4.25Å; V55-A60 HydrophobicContact CG1-CB 3.96Å
56R60.6Low77.5Confident202 Ų20256.3 Ų56.376%0.76233%0.333SS*.  trans-54.1135.3174.6-69.5179.9176-176.2-0.9108.2N58 D59 A60R56-N58 PolarHBondContact O-N 3.13Å; R56-D59 HydrophobicContact CB-CB 4.38Å; R56-D59 WeakPolarHBondContact O-CA 3.44Å; R56-D59 PolarHBondContact O-N 3.47Å; R56-A60 PolarHBondContact O-N 3.07Å; R56-A60 VanDerWaalsContact O-N 3.11Å
57A60.9Low77.7Confident86 Ų8656.2 Ų56.271%0.71133%0.333SS*.THydrogen-bonded Turntrans-52.3-33.4-174.400000113.4V55 D59V55-A57 PolarHBondContact O-N 3.03Å; A57-D59 VanDerWaalsContact C-N 3.31Å; A57-D59 PolarHBondContact O-N 3Å
58N62.3Low77.9Confident160 Ų16056.2 Ų56.286%0.85633%0.332SS*.THydrogen-bonded Turntrans-74.8-18.3178.2-65.7-5.7000114.2R56R56-N58 PolarHBondContact O-N 3.13Å
59D63.2Low78.1Confident110 Ų11056.2 Ų56.259%0.58833%0.332SS*.THydrogen-bonded Turntrans-105-11-177.3-60.9-33.2000112.3V55 R56 A57 P61V55-D59 HydrophobicContact CG1-CB 3.94Å; R56-D59 HydrophobicContact CB-CB 4.38Å; R56-D59 WeakPolarHBondContact O-CA 3.44Å; R56-D59 PolarHBondContact O-N 3.47Å; A57-D59 VanDerWaalsContact C-N 3.31Å; A57-D59 PolarHBondContact O-N 3Å; D59-P61 WeakPolarHBondContact O-CD 3.39Å
60A65Low78.5Confident22 Ų2257.4 Ų57.418%0.18234%0.337CS..SBendtrans-73.5122.6178.200000109V55 R56 T62V55-A60 HydrophobicContact CB-CB 4.25Å; V55-A60 HydrophobicContact CG1-CB 3.96Å; R56-A60 PolarHBondContact O-N 3.07Å; R56-A60 VanDerWaalsContact O-N 3.11Å; A60-T62 PolarHBondContact O-N 2.87Å; A60-T62 VanDerWaalsContact O-N 3.07Å
61P72.5Confident79.3Confident51 Ų5159.8 Ų59.833%0.33135%0.352SS..  trans-63.9118.317627.4-32.9000107.9N49 D59N49-P61 WeakPolarHBondContact CB-O 3.35Å; N49-P61 WeakPolarHBondContact ND2-CB 3.47Å; N49-P61 PolarHBondContact ND2-O 3.11Å; N49-P61 VanDerWaalsContact ND2-O 3.07Å; D59-P61 WeakPolarHBondContact O-CD 3.39Å
62T84.4Confident80.6Confident80 Ų8057.5 Ų57.549%0.49133%0.328SS..  trans-88.51.5178.856.20000111.9A60 Y64A60-T62 PolarHBondContact O-N 2.87Å; A60-T62 VanDerWaalsContact O-N 3.07Å; T62-Y64 WeakPolarHBondContact O-CD1 3.3Å; T62-Y64 PolarHBondContact O-N 2.84Å
63D92.8Very high82.2Confident3 Ų359.8 Ų59.82%0.01634%0.337CS..  trans-56.3129.5-173-60.542000112G48 N49 D79 L135 N136G48-D63 WeakPolarHBondContact CA-O 3.21Å; N49-D63 PolarHBondContact N-O 2.89Å; N49-D63 PolarHBondContact ND2-O 2.9Å; D63-D79 WeakPolarHBondContact CA-O 3.25Å; D63-L135 HydrophobicContact CB-CD1 4.09Å; D63-N136 HydrophobicContact CB-CB 4.49Å; D63-N136 VanDerWaalsContact OD2-CB 3.27Å; D63-N136 WeakPolarHBondContact OD2-CB 3.08Å; D63-N136 PolarHBondContact OD2-N 2.7Å; D63-N136 PolarHBondContact OD2-ND2 2.82Å
64Y94.7Very high83.9Confident8 Ų853.4 Ų53.43%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-155.9162.5179.579.9-87.6000112.3F46 L47 T62 A66 V77 F78 D79 E84 P156 I159F46-Y64 HydrophobicContact CD2-CD2 4.42Å; F46-Y64 AromaticContact CE2-CD2 3.73Å; F46-Y64 HydrophobicContact CE2-CD2 3.73Å; F46-Y64 HydrophobicContact CE2-CE2 4.49Å; F46-Y64 HydrophobicContact CE2-CG 4.04Å; F46-Y64 HydrophobicContact CZ-CD2 4.39Å; F46-Y64 HydrophobicContact CZ-CG 4.26Å; L47-Y64 CarbonylContact O-C 3.59Å; L47-Y64 VanDerWaalsContact O-CA 3.27Å; L47-Y64 WeakPolarHBondContact O-CA 3.3Å; T62-Y64 WeakPolarHBondContact O-CD1 3.3Å; T62-Y64 PolarHBondContact O-N 2.84Å; Y64-A66 HydrophobicContact CD2-CB 4.26Å; Y64-A66 HydrophobicContact CE2-CB 4.25Å; Y64-V77 HydrophobicContact CE2-CB 4.38Å; Y64-V77 HydrophobicContact CE2-CG1 4.19Å; Y64-V77 WeakPolarHBondContact OH-CG1 3.48Å; Y64-F78 VanDerWaalsContact O-CA 3.23Å; Y64-F78 WeakPolarHBondContact O-CA 3.45Å; Y64-F78 WeakPolarHBondContact O-CB 3.24Å; Y64-D79 HydrophobicContact CD1-CB 3.88Å; Y64-D79 HydrophobicContact CE1-CB 3.7Å; Y64-D79 PolarHBondContact N-O 3.28Å; Y64-D79 PolarHBondContact O-N 3.15Å; Y64-E84 PolarHBondContact OH-OE2 3.04Å; Y64-P156 HydrophobicContact CD1-CB 4.43Å; Y64-P156 HydrophobicContact CD1-CG 3.61Å; Y64-P156 HydrophobicContact CD2-CG 4.02Å; Y64-P156 HydrophobicContact CE1-CB 3.71Å; Y64-P156 HydrophobicContact CE1-CG 3.37Å; Y64-P156 HydrophobicContact CE2-CB 4.31Å; Y64-P156 HydrophobicContact CE2-CG 3.81Å; Y64-P156 HydrophobicContact CG-CG 3.92Å; Y64-P156 VanDerWaalsContact CZ-CG 3.45Å; Y64-I159 HydrophobicContact CE2-CD1 4Å
65L95.9Very high85.5Confident1 Ų150.9 Ų50.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-140.6125.7172.9175.665.7000108.2T29 F45 L47 C76 F78 V103 L110 L135T29-L65 HydrophobicContact CG2-CD2 3.69Å; F45-L65 HydrophobicContact CE2-CD2 4.34Å; F45-L65 HydrophobicContact CE2-CG 4.05Å; F45-L65 HydrophobicContact CZ-CD2 4.47Å; F45-L65 HydrophobicContact CZ-CG 4.36Å; L47-L65 PolarHBondContact N-O 3.05Å; L47-L65 PolarHBondContact O-N 2.91Å; L65-C76 WeakPolarHBondContact CD1-SG 3.25Å; L65-F78 HydrophobicContact CB-CB 4.44Å; L65-F78 HydrophobicContact CD1-CB 3.66Å; L65-F78 HydrophobicContact CD1-CG 4.42Å; L65-V103 HydrophobicContact CD1-CG1 4.21Å; L65-V103 HydrophobicContact CD2-CG1 4.28Å; L65-L110 HydrophobicContact CD1-CD1 3.6Å; L65-L135 HydrophobicContact CB-CD2 4.43Å
66A97.4Very high87.1Confident0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-132.5148.4179.300000111L43 F45 F46 Y64 C76 V77 I159L43-A66 HydrophobicContact CD1-CB 4.27Å; F45-A66 WeakPolarHBondContact O-CA 3.42Å; F46-A66 HydrophobicContact CD2-CB 4Å; Y64-A66 HydrophobicContact CD2-CB 4.26Å; Y64-A66 HydrophobicContact CE2-CB 4.25Å; A66-C76 VanDerWaalsContact O-CA 3.32Å; A66-C76 WeakPolarHBondContact O-CA 3.17Å; A66-C76 PolarHBondContact O-SG 3.34Å; A66-V77 PolarHBondContact N-O 3.44Å; A66-V77 PolarHBondContact O-N 2.62Å; A66-I159 HydrophobicContact CB-CD1 3.42Å; A66-I159 VanDerWaalsContact CB-CD1 3.42Å
67L98.3Very high88.9Confident1 Ų138.8 Ų38.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-122.9131.4168.1-179.473.3000108.1L44 F45 R75 C76 A101 V103 L112L44-L67 WeakPolarHBondContact CA-O 3.44Å; L44-L67 HydrophobicContact CB-CB 4.45Å; L44-L67 HydrophobicContact CB-CD2 4.22Å; L44-L67 HydrophobicContact CB-CG 4.27Å; L44-L67 WeakPolarHBondContact CB-O 3.25Å; L44-L67 HydrophobicContact CD1-CD2 3.74Å; L44-L67 HydrophobicContact CD1-CG 3.89Å; L44-L67 PolarHBondContact N-O 2.8Å; F45-L67 HydrophobicContact CD1-CB 3.5Å; F45-L67 VanDerWaalsContact CD1-CB 3.5Å; F45-L67 HydrophobicContact CD1-CD2 4Å; F45-L67 HydrophobicContact CD1-CG 4.39Å; F45-L67 HydrophobicContact CE1-CB 3.18Å; F45-L67 HydrophobicContact CE1-CD2 3.71Å; F45-L67 HydrophobicContact CE1-CG 4.07Å; F45-L67 HydrophobicContact CE2-CB 4.35Å; F45-L67 HydrophobicContact CG-CB 4.22Å; F45-L67 HydrophobicContact CZ-CB 3.64Å; F45-L67 PolarHBondContact N-O 2.97Å; F45-L67 VanDerWaalsContact N-O 3.09Å; F45-L67 PolarHBondContact O-N 2.85Å; L67-R75 WeakPolarHBondContact CA-O 3.46Å; L67-C76 HydrophobicContact CD1-CB 4.2Å; L67-A101 HydrophobicContact CD2-CB 3.58Å; L67-V103 HydrophobicContact CD1-CG2 4.07Å; L67-V103 HydrophobicContact CD2-CG2 4.42Å; L67-L112 HydrophobicContact CD1-CD1 3.89Å
68E98.1Very high90.6Very high2 Ų234.7 Ų34.71%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-137.3164.1178.670.8-165.7152.400110.6G42 L43 K70 A74 R75G42-E68 CarbonylContact O-C 3.46Å; G42-E68 VanDerWaalsContact O-CA 3.27Å; G42-E68 WeakPolarHBondContact O-CA 3.25Å; G42-E68 WeakPolarHBondContact O-CB 3.4Å; L43-E68 HydrophobicContact CD1-CB 4.4Å; E68-K70 HydrophobicContact CG-CB 4.19Å; E68-A74 CarbonylContact O-C 3.53Å; E68-A74 WeakPolarHBondContact O-CA 3.47Å; E68-R75 HydrophobicContact CG-CB 4.1Å; E68-R75 PolarHBondContact N-O 2.98Å; E68-R75 PolarHBondContact O-N 2.83Å; E68-R75 IonicContact OE1-CZ 2.67Å; E68-R75 IonicContact OE1-NE 2.99Å; E68-R75 PolarHBondContact OE1-NE 2.9Å; E68-R75 IonicContact OE1-NH2 2.7Å; E68-R75 PolarHBondContact OE1-NH2 2.91Å; E68-R75 IonicContact OE2-NH2 3.86Å
69V98.3Very high92.1Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-90.7129.4157.1-174.20000106.3F35 T37 D41 G42 L44 K73 V93 F164F35-V69 HydrophobicContact CD2-CG2 4.38Å; F35-V69 HydrophobicContact CE2-CG2 3.89Å; T37-V69 HydrophobicContact CG2-CG2 4.21Å; D41-V69 CarbonylContact C-O 3.53Å; D41-V69 VanDerWaalsContact CA-O 3.22Å; D41-V69 WeakPolarHBondContact CA-O 3.33Å; G42-V69 PolarHBondContact N-O 2.94Å; G42-V69 PolarHBondContact O-N 2.88Å; L44-V69 HydrophobicContact CD1-CG2 4.09Å; L44-V69 HydrophobicContact CG-CG2 4.37Å; V69-K73 CarbonylContact C-O 3.21Å; V69-K73 VanDerWaalsContact CA-O 3.32Å; V69-K73 WeakPolarHBondContact CA-O 3.49Å; V69-V93 HydrophobicContact CG1-CG2 3.96Å; V69-V93 HydrophobicContact CG2-CG2 4.06Å; V69-F164 HydrophobicContact CG2-CE2 4.15Å
70K97.6Very high93.6Very high43 Ų4323 Ų2319%0.18712%0.123CC..EExtended strand (participates in β ladder)trans-138124.9178.7-179.572.8-153.3138.90108.9P40 D41 E68 G72 K73 R75P40-K70 CarbonylContact O-C 3.55Å; D41-K70 WeakPolarHBondContact OD1-CD 3.37Å; D41-K70 IonicContact OD1-NZ 2.6Å; D41-K70 PolarHBondContact OD1-NZ 2.84Å; E68-K70 HydrophobicContact CG-CB 4.19Å; K70-G72 PolarHBondContact O-N 2.84Å; K70-G72 VanDerWaalsContact O-N 3.14Å; K70-K73 PolarHBondContact N-O 2.86Å; K70-K73 PolarHBondContact O-N 2.89Å; K70-R75 HydrophobicContact CB-CB 4.09Å
71D97.1Very high94.8Very high118 Ų11822.8 Ų22.863%0.63112%0.123SC*.THydrogen-bonded Turntrans49.539.2-177.4-51.3-40.9000112.1P40 K73P40-D71 PolarHBondContact O-N 3.03Å; D71-K73 VanDerWaalsContact C-N 3.32Å; D71-K73 PolarHBondContact O-N 2.98Å
72G97.8Very high95.7Very high4 Ų422.2 Ų22.24%0.04112%0.122CC..THydrogen-bonded Turntrans77.92.2-179.900000115.9P40 K70 V92 V93 S94P40-G72 PolarHBondContact O-N 2.97Å; K70-G72 PolarHBondContact O-N 2.84Å; K70-G72 VanDerWaalsContact O-N 3.14Å; G72-V92 CarbonylContact O-C 3.53Å; G72-V92 WeakPolarHBondContact O-CA 3.32Å; G72-V93 PolarHBondContact O-N 3.39Å; G72-S94 WeakPolarHBondContact CA-OG 3.31Å; G72-S94 PolarHBondContact O-N 3.02Å
73K98.3Very high96Very high80 Ų8019.9 Ų19.935%0.34812%0.115SC..EExtended strand (participates in β ladder)trans-114.2151.4-178.3-62.1-179.5165.7-164.20111.2V69 K70 D71 R75 S89 K91V69-K73 CarbonylContact C-O 3.21Å; V69-K73 VanDerWaalsContact CA-O 3.32Å; V69-K73 WeakPolarHBondContact CA-O 3.49Å; K70-K73 PolarHBondContact N-O 2.86Å; K70-K73 PolarHBondContact O-N 2.89Å; D71-K73 VanDerWaalsContact C-N 3.32Å; D71-K73 PolarHBondContact O-N 2.98Å; K73-R75 PolarHBondContact O-N 2.97Å; K73-S89 WeakPolarHBondContact CD-O 3.31Å; K73-K91 WeakPolarHBondContact CG-O 3.44Å
74A98.3Very high96.1Very high0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-72.8127.1171.900000108.9E68 A88 S89 V93 L112 V114E68-A74 CarbonylContact O-C 3.53Å; E68-A74 WeakPolarHBondContact O-CA 3.47Å; A74-A88 CarbonylContact O-C 3.53Å; A74-A88 VanDerWaalsContact O-CA 3.28Å; A74-A88 WeakPolarHBondContact O-CA 3.26Å; A74-S89 PolarHBondContact N-OG 2.81Å; A74-S89 PolarHBondContact O-N 2.89Å; A74-S89 PolarHBondContact O-OG 2.89Å; A74-V93 HydrophobicContact CB-CG1 4.37Å; A74-V93 HydrophobicContact CB-CG2 4.22Å; A74-L112 HydrophobicContact CB-CD2 4.43Å; A74-L112 WeakPolarHBondContact O-CD2 3Å; A74-V114 HydrophobicContact CB-CG2 3.89Å
75R98.3Very high96.2Very high46 Ų4622.5 Ų22.517%0.17413%0.128CC..EExtended strand (participates in β ladder)trans-126.3128.9178.5-173.1174.275.41653.9109.7L67 E68 K70 K73 V77 V87 A88 T158L67-R75 WeakPolarHBondContact CA-O 3.46Å; E68-R75 HydrophobicContact CG-CB 4.1Å; E68-R75 PolarHBondContact N-O 2.98Å; E68-R75 PolarHBondContact O-N 2.83Å; E68-R75 IonicContact OE1-CZ 2.67Å; E68-R75 IonicContact OE1-NE 2.99Å; E68-R75 PolarHBondContact OE1-NE 2.9Å; E68-R75 IonicContact OE1-NH2 2.7Å; E68-R75 PolarHBondContact OE1-NH2 2.91Å; E68-R75 IonicContact OE2-NH2 3.86Å; K70-R75 HydrophobicContact CB-CB 4.09Å; K73-R75 PolarHBondContact O-N 2.97Å; R75-V77 HydrophobicContact CG-CG2 4.11Å; R75-V87 CarbonylContact C-O 3.41Å; R75-V87 WeakPolarHBondContact CA-O 3.44Å; R75-A88 HydrophobicContact CB-CB 4.3Å; R75-A88 HydrophobicContact CG-CB 4.26Å; R75-T158 PolarHBondContact NH2-O 2.94Å
76C98Very high96.3Very high0 Ų024.9 Ų24.90%014%0.144CC..EExtended strand (participates in β ladder)trans-104132.9171.1-167.20000109.5L65 A66 L67 S86 V87 L110 L112L65-C76 WeakPolarHBondContact CD1-SG 3.25Å; A66-C76 VanDerWaalsContact O-CA 3.32Å; A66-C76 WeakPolarHBondContact O-CA 3.17Å; A66-C76 PolarHBondContact O-SG 3.34Å; L67-C76 HydrophobicContact CD1-CB 4.2Å; C76-S86 CarbonylContact O-C 3.47Å; C76-S86 WeakPolarHBondContact O-CA 3.5Å; C76-S86 WeakPolarHBondContact O-CB 3.41Å; C76-V87 HydrophobicContact CB-CG1 4.21Å; C76-V87 PolarHBondContact N-O 2.99Å; C76-V87 PolarHBondContact O-N 2.84Å; C76-L110 HydrophobicContact CB-CD2 4.01Å; C76-L112 HydrophobicContact CB-CD2 4.38Å
77V97.2Very high96.3Very high0 Ų025.7 Ų25.70%015%0.149CC..EExtended strand (participates in β ladder)trans-128.8134.7-179.5-168.40000108.4Y64 A66 R75 E84 A85 T158Y64-V77 HydrophobicContact CE2-CB 4.38Å; Y64-V77 HydrophobicContact CE2-CG1 4.19Å; Y64-V77 WeakPolarHBondContact OH-CG1 3.48Å; A66-V77 PolarHBondContact N-O 3.44Å; A66-V77 PolarHBondContact O-N 2.62Å; R75-V77 HydrophobicContact CG-CG2 4.11Å; V77-E84 VanDerWaalsContact CG1-CD 3.42Å; V77-E84 HydrophobicContact CG1-CG 3.51Å; V77-A85 WeakPolarHBondContact CA-O 3.4Å; V77-T158 HydrophobicContact CG1-CG2 4.25Å
78F96.5Very high96.3Very high0 Ų027.7 Ų27.70%017%0.166CC..EExtended strand (participates in β ladder)trans-151.9150.2-178.672.2-67.4000112.5Y64 L65 L80 E84 A85 L110 I126Y64-F78 VanDerWaalsContact O-CA 3.23Å; Y64-F78 WeakPolarHBondContact O-CA 3.45Å; Y64-F78 WeakPolarHBondContact O-CB 3.24Å; L65-F78 HydrophobicContact CB-CB 4.44Å; L65-F78 HydrophobicContact CD1-CB 3.66Å; L65-F78 HydrophobicContact CD1-CG 4.42Å; F78-L80 HydrophobicContact CD2-CD1 4.42Å; F78-L80 HydrophobicContact CD2-CD2 3.96Å; F78-L80 HydrophobicContact CD2-CG 3.94Å; F78-L80 HydrophobicContact CE2-CD1 4.11Å; F78-L80 HydrophobicContact CE2-CD2 4.44Å; F78-L80 HydrophobicContact CE2-CG 4.1Å; F78-E84 WeakPolarHBondContact O-CA 3.42Å; F78-A85 HydrophobicContact CD1-CB 4.19Å; F78-A85 WeakPolarHBondContact CD1-O 3.3Å; F78-A85 HydrophobicContact CE1-CB 3.61Å; F78-A85 HydrophobicContact CZ-CB 3.97Å; F78-A85 PolarHBondContact N-O 2.93Å; F78-A85 PolarHBondContact O-N 3.37Å; F78-L110 HydrophobicContact CD1-CD1 3.69Å; F78-L110 HydrophobicContact CD2-CD1 4.43Å; F78-L110 HydrophobicContact CE1-CB 3.85Å; F78-L110 HydrophobicContact CE1-CD1 3.9Å; F78-L110 HydrophobicContact CE1-CG 4.41Å; F78-L110 HydrophobicContact CE2-CB 4.47Å; F78-L110 HydrophobicContact CG-CD1 3.98Å; F78-L110 HydrophobicContact CZ-CB 3.83Å; F78-L110 HydrophobicContact CZ-CD1 4.34Å; F78-I126 HydrophobicContact CE1-CG2 3.8Å; F78-I126 HydrophobicContact CZ-CG2 4.34Å
79D95Very high96.3Very high22 Ų2227.6 Ų27.612%0.11817%0.165CC..EExtended strand (participates in β ladder)trans-131.5129.9170.8-170.5-8.3000108.3D63 Y64 G81 A82 G83D63-D79 WeakPolarHBondContact CA-O 3.25Å; Y64-D79 HydrophobicContact CD1-CB 3.88Å; Y64-D79 HydrophobicContact CE1-CB 3.7Å; Y64-D79 PolarHBondContact N-O 3.28Å; Y64-D79 PolarHBondContact O-N 3.15Å; D79-G81 VanDerWaalsContact C-N 3.31Å; D79-G81 VanDerWaalsContact OD1-CA 3.32Å; D79-G81 WeakPolarHBondContact OD1-CA 3.31Å; D79-G81 PolarHBondContact OD1-N 2.76Å; D79-A82 PolarHBondContact OD1-N 3.13Å; D79-G83 PolarHBondContact OD1-N 2.76Å; D79-G83 VanDerWaalsContact OD1-N 3.1Å
80L94.1Very high96.3Very high2 Ų232.9 Ų32.91%0.0119%0.194CC..SBendtrans-99.321175.5-54-178.4000111.3F78 K132 L135F78-L80 HydrophobicContact CD2-CD1 4.42Å; F78-L80 HydrophobicContact CD2-CD2 3.96Å; F78-L80 HydrophobicContact CD2-CG 3.94Å; F78-L80 HydrophobicContact CE2-CD1 4.11Å; F78-L80 HydrophobicContact CE2-CD2 4.44Å; F78-L80 HydrophobicContact CE2-CG 4.1Å; L80-K132 HydrophobicContact CB-CB 4.27Å; L80-K132 WeakPolarHBondContact O-CB 3.36Å; L80-K132 WeakPolarHBondContact O-CD 3.27Å; L80-L135 HydrophobicContact CD2-CB 3.96Å; L80-L135 HydrophobicContact CD2-CD1 3.91Å
81G90.8Very high96.2Very high18 Ų1832.2 Ų32.219%0.18619%0.191CC..SBendtrans82.619.5-177.400000114.2D79 K132D79-G81 VanDerWaalsContact C-N 3.31Å; D79-G81 VanDerWaalsContact OD1-CA 3.32Å; D79-G81 WeakPolarHBondContact OD1-CA 3.31Å; D79-G81 PolarHBondContact OD1-N 2.76Å; G81-K132 WeakPolarHBondContact O-CD 3.4Å; G81-K132 VanDerWaalsContact O-CE 3.31Å; G81-K132 WeakPolarHBondContact O-CE 3.4Å; G81-K132 PolarHBondContact O-NZ 2.92Å
82A91.3Very high96.2Very high38 Ų3830.6 Ų30.631%0.31419%0.185SC..SBendtrans-13919.7-176.800000113.3D79 K132D79-A82 PolarHBondContact OD1-N 3.13Å; A82-K132 HydrophobicContact CB-CB 3.92Å; A82-K132 HydrophobicContact CB-CD 4.07Å; A82-K132 HydrophobicContact CB-CG 3.93Å
83G91.4Very high96.2Very high32 Ų3230.4 Ų30.433%0.3318%0.183SC..  trans111.8142-17800000111D79D79-G83 PolarHBondContact OD1-N 2.76Å; D79-G83 VanDerWaalsContact OD1-N 3.1Å
84E94.5Very high96.2Very high62 Ų6227.8 Ų27.829%0.2918%0.175SC..EExtended strand (participates in β ladder)trans-72.1144.8-177.2-168.6179.197.900112Y64 V77 F78 T158Y64-E84 PolarHBondContact OH-OE2 3.04Å; V77-E84 VanDerWaalsContact CG1-CD 3.42Å; V77-E84 HydrophobicContact CG1-CG 3.51Å; F78-E84 WeakPolarHBondContact O-CA 3.42Å; E84-T158 WeakPolarHBondContact OE1-CB 3.26Å; E84-T158 WeakPolarHBondContact OE1-CG2 3.38Å; E84-T158 PolarHBondContact OE1-OG1 2.78Å; E84-T158 PolarHBondContact OE2-OG1 2.9Å; E84-T158 VanDerWaalsContact OE2-OG1 3.06Å
85A96.7Very high96.1Very high4 Ų430.8 Ų30.83%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-129.5150.7166.600000109.7V77 F78 I126V77-A85 WeakPolarHBondContact CA-O 3.4Å; F78-A85 HydrophobicContact CD1-CB 4.19Å; F78-A85 WeakPolarHBondContact CD1-O 3.3Å; F78-A85 HydrophobicContact CE1-CB 3.61Å; F78-A85 HydrophobicContact CZ-CB 3.97Å; F78-A85 PolarHBondContact N-O 2.93Å; F78-A85 PolarHBondContact O-N 3.37Å; A85-I126 HydrophobicContact CB-CD1 4.19Å
86S97.3Very high96Very high51 Ų5131.9 Ų31.936%0.35720%0.2SC..EExtended strand (participates in β ladder)trans-143.7145.4178.264.70000112.3C76 I126C76-S86 CarbonylContact O-C 3.47Å; C76-S86 WeakPolarHBondContact O-CA 3.5Å; C76-S86 WeakPolarHBondContact O-CB 3.41Å; S86-I126 WeakPolarHBondContact O-CD1 3.43Å
87V97.8Very high95.8Very high17 Ų1735.7 Ų35.710%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-135.5140.3176.164.80000109.1R75 C76 L110 L112 T124 I126R75-V87 CarbonylContact C-O 3.41Å; R75-V87 WeakPolarHBondContact CA-O 3.44Å; C76-V87 HydrophobicContact CB-CG1 4.21Å; C76-V87 PolarHBondContact N-O 2.99Å; C76-V87 PolarHBondContact O-N 2.84Å; V87-L110 HydrophobicContact CG1-CD2 3.56Å; V87-L112 HydrophobicContact CG1-CB 4.01Å; V87-L112 HydrophobicContact CG1-CD2 4.49Å; V87-T124 WeakPolarHBondContact CG2-OG1 3.48Å; V87-I126 HydrophobicContact CB-CB 3.99Å; V87-I126 HydrophobicContact CB-CG2 3.66Å; V87-I126 HydrophobicContact CG1-CG2 3.82Å; V87-I126 HydrophobicContact CG2-CB 4.44Å
88A98.3Very high95.7Very high42 Ų4236.3 Ų36.335%0.34722%0.217SC..EExtended strand (participates in β ladder)trans-120.4146.4178.600000110.6A74 R75A74-A88 CarbonylContact O-C 3.53Å; A74-A88 VanDerWaalsContact O-CA 3.28Å; A74-A88 WeakPolarHBondContact O-CA 3.26Å; R75-A88 HydrophobicContact CB-CB 4.3Å; R75-A88 HydrophobicContact CG-CB 4.26Å
89S98Very high95.8Very high1 Ų136.3 Ų36.31%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-64153.5171.663.60000111.3K73 A74 K91 D122K73-S89 WeakPolarHBondContact CD-O 3.31Å; A74-S89 PolarHBondContact N-OG 2.81Å; A74-S89 PolarHBondContact O-N 2.89Å; A74-S89 PolarHBondContact O-OG 2.89Å; S89-K91 VanDerWaalsContact C-N 3.32Å; S89-K91 PolarHBondContact OG-O 3.01Å; S89-K91 VanDerWaalsContact OG-O 3.06Å; S89-D122 WeakPolarHBondContact CA-OD2 2.93Å; S89-D122 WeakPolarHBondContact CB-OD2 3.38Å
90N97.2Very high95.8Very high111 Ų11138.4 Ų38.459%0.59423%0.225SC*.EExtended strand (participates in β ladder)trans-79.3-19.8169.1-60.4-62.6000112.2D122N90-D122 WeakPolarHBondContact CB-OD1 3.38Å; N90-D122 PolarHBondContact N-OD2 3.42Å; N90-D122 PolarHBondContact ND2-OD1 3.35Å
91K95.9Very high96Very high29 Ų2938.3 Ų38.313%0.12622%0.224CC..EExtended strand (participates in β ladder)trans-78.9142.5178.5-72.7176.6180-80.30112.8K73 S89 V93 V114 E119 P120 D122K73-K91 WeakPolarHBondContact CG-O 3.44Å; S89-K91 VanDerWaalsContact C-N 3.32Å; S89-K91 PolarHBondContact OG-O 3.01Å; S89-K91 VanDerWaalsContact OG-O 3.06Å; K91-V93 HydrophobicContact CB-CG1 4.45Å; K91-V114 HydrophobicContact CD-CB 4.43Å; K91-V114 HydrophobicContact CD-CG1 4.1Å; K91-E119 IonicContact NZ-OE2 2.94Å; K91-E119 PolarHBondContact NZ-OE2 3.46Å; K91-P120 WeakPolarHBondContact CE-O 3.2Å; K91-P120 PolarHBondContact NZ-O 3.07Å; K91-D122 HydrophobicContact CD-CB 3.66Å; K91-D122 HydrophobicContact CG-CB 3.78Å
92V97.5Very high96.3Very high83 Ų8337.9 Ų37.950%0.50322%0.218SC..EExtended strand (participates in β ladder)trans-77.9128.4161.71790000107.6G72G72-V92 CarbonylContact O-C 3.53Å; G72-V92 WeakPolarHBondContact O-CA 3.32Å
93V98.1Very high96.6Very high0 Ų036.1 Ų36.10%020%0.204CC..  trans-120.12.4-176.9-58.10000113.1F35 V69 G72 A74 K91 D95 H99 V114F35-V93 HydrophobicContact CE2-CB 3.77Å; F35-V93 HydrophobicContact CE2-CG2 3.71Å; F35-V93 HydrophobicContact CZ-CB 3.69Å; F35-V93 HydrophobicContact CZ-CG1 4.07Å; F35-V93 HydrophobicContact CZ-CG2 3.77Å; V69-V93 HydrophobicContact CG1-CG2 3.96Å; V69-V93 HydrophobicContact CG2-CG2 4.06Å; G72-V93 PolarHBondContact O-N 3.39Å; A74-V93 HydrophobicContact CB-CG1 4.37Å; A74-V93 HydrophobicContact CB-CG2 4.22Å; K91-V93 HydrophobicContact CB-CG1 4.45Å; V93-D95 VanDerWaalsContact C-N 3.31Å; V93-H99 WeakPolarHBondContact CA-NE2 3.25Å; V93-H99 PolarHBondContact O-CD2 2.91Å; V93-H99 PolarHBondContact O-NE2 3.14Å; V93-V114 HydrophobicContact CG1-CG1 3.8Å
94S97.7Very high96.9Very high26 Ų2639.4 Ų39.418%0.18221%0.211CC..  trans-97.237.6174.565.70000111.7T37 Y39 G72T37-S94 CarbonylContact O-C 3.58Å; T37-S94 VanDerWaalsContact O-CA 3.31Å; T37-S94 WeakPolarHBondContact O-CA 3.22Å; Y39-S94 VanDerWaalsContact O-CB 3.25Å; Y39-S94 WeakPolarHBondContact O-CB 3.47Å; G72-S94 WeakPolarHBondContact CA-OG 3.31Å; G72-S94 PolarHBondContact O-N 3.02Å
95D96.7Very high97Very high62 Ų6236.5 Ų36.533%0.33220%0.197SC..SBendtrans-102.59.1-175.568.23.5000113T37 V93 R97 H99T37-D95 PolarHBondContact O-N 2.82Å; V93-D95 VanDerWaalsContact C-N 3.31Å; D95-R97 PolarHBondContact O-N 2.99Å; D95-R97 VanDerWaalsContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CB 3.49Å; D95-R97 PolarHBondContact OD1-N 2.88Å; D95-R97 WeakPolarHBondContact OD2-CD 3.47Å; D95-H99 IonicContact OD1-CE1 3.73Å; D95-H99 IonicContact OD1-NE2 3.83Å; D95-H99 PolarHBondContact OD1-NE2 2.87Å; D95-H99 IonicContact OD2-CE1 3.03Å; D95-H99 IonicContact OD2-NE2 2.76Å
96N95.6Very high96.9Very high69 Ų6940.7 Ų40.737%0.36922%0.222SC..SBendtrans6320.9-176.1-159.421000115.1R36 T37 E38R36-N96 VanDerWaalsContact CD-O 3.27Å; R36-N96 WeakPolarHBondContact CD-O 3.35Å; R36-N96 WeakPolarHBondContact CG-O 3.34Å; R36-N96 PolarHBondContact NH1-OD1 3.47Å; T37-N96 VanDerWaalsContact O-CA 3.3Å; T37-N96 WeakPolarHBondContact O-CA 3.45Å; T37-N96 PolarHBondContact O-N 3.45Å; E38-N96 HydrophobicContact CB-CB 4.2Å
97R95.2Very high96.7Very high81 Ų8139.1 Ų39.131%0.30621%0.214SC..SBendtrans-100164.6170.4-60.1173.561.8-163.1-0.9111.4R36 D95 H99 E117 E119R36-R97 WeakPolarHBondContact CA-O 3.19Å; R36-R97 WeakPolarHBondContact CG-O 3.45Å; D95-R97 PolarHBondContact O-N 2.99Å; D95-R97 VanDerWaalsContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CB 3.49Å; D95-R97 PolarHBondContact OD1-N 2.88Å; D95-R97 WeakPolarHBondContact OD2-CD 3.47Å; R97-H99 PolarHBondContact O-CD2 2.94Å; R97-E117 PolarHBondContact NH2-O 2.87Å; R97-E119 IonicContact CZ-OE1 3.69Å; R97-E119 IonicContact NH1-OE1 3.63Å; R97-E119 PolarHBondContact NH1-OE1 2.82Å; R97-E119 IonicContact NH2-OE1 2.71Å
98W95.1Very high96.6Very high12 Ų1241.2 Ų41.25%0.04522%0.221CC..  trans-78.4128.3173.6-78.1103.4000110.6F34 R36 Q167 E169 R197 E199 L200F34-W98 HydrophobicContact CB-CE3 4.01Å; F34-W98 HydrophobicContact CB-CZ3 4.04Å; R36-W98 HydrophobicContact CB-CD2 3.88Å; R36-W98 HydrophobicContact CB-CE3 3.92Å; R36-W98 HydrophobicContact CB-CG 4.37Å; R36-W98 HydrophobicContact CB-CZ2 4.44Å; R36-W98 HydrophobicContact CB-CZ3 4.25Å; W98-Q167 HydrophobicContact CH2-CB 3.7Å; W98-Q167 HydrophobicContact CZ2-CB 4.15Å; W98-Q167 HydrophobicContact CZ3-CB 4.43Å; W98-E169 HydrophobicContact CH2-CB 4.14Å; W98-E169 HydrophobicContact CH2-CG 4.03Å; W98-E169 HydrophobicContact CZ3-CB 4.13Å; W98-R197 HydrophobicContact CD2-CB 3.69Å; W98-R197 VanDerWaalsContact CE2-CB 3.45Å; W98-R197 HydrophobicContact CE3-CB 4.32Å; W98-R197 HydrophobicContact CG-CB 3.94Å; W98-R197 HydrophobicContact CH2-CB 4.44Å; W98-R197 HydrophobicContact CZ2-CB 3.86Å; W98-E199 HydrophobicContact CB-CB 4.22Å; W98-L200 HydrophobicContact CB-CD1 4.35Å; W98-L200 WeakPolarHBondContact O-CD1 3.14Å
99H96.9Very high96.6Very high1 Ų141.4 Ų41.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-120.5149.5170.3-51.9-77000109.9F34 F35 V93 D95 R97 V114 S115 T116F34-H99 CarbonylContact C-O 3.44Å; F34-H99 VanDerWaalsContact CA-O 3.25Å; F34-H99 WeakPolarHBondContact CA-O 3.43Å; F35-H99 HydrophobicContact CD1-CB 4.31Å; F35-H99 HydrophobicContact CE1-CB 3.74Å; F35-H99 HydrophobicContact CZ-CB 3.86Å; F35-H99 PolarHBondContact N-O 3.23Å; F35-H99 PolarHBondContact O-N 3.4Å; V93-H99 WeakPolarHBondContact CA-NE2 3.25Å; V93-H99 PolarHBondContact O-CD2 2.91Å; V93-H99 PolarHBondContact O-NE2 3.14Å; D95-H99 IonicContact OD1-CE1 3.73Å; D95-H99 IonicContact OD1-NE2 3.83Å; D95-H99 PolarHBondContact OD1-NE2 2.87Å; D95-H99 IonicContact OD2-CE1 3.03Å; D95-H99 IonicContact OD2-NE2 2.76Å; R97-H99 PolarHBondContact O-CD2 2.94Å; H99-V114 HydrophobicContact CB-CG1 4.3Å; H99-S115 CarbonylContact C-O 3.57Å; H99-S115 WeakPolarHBondContact CA-O 3.15Å; H99-T116 PolarHBondContact ND1-OG1 3.49Å
100K96.9Very high96.6Very high65 Ų6541.4 Ų41.428%0.28322%0.216SC..EExtended strand (participates in β ladder)trans-103.9120.3164.2-174.5-171.4175.9-167.80108.7L33 F34 S102 V114 S115 L200L33-K100 WeakPolarHBondContact O-CA 3.23Å; F34-K100 HydrophobicContact CD1-CB 3.78Å; F34-K100 HydrophobicContact CD1-CG 4.13Å; F34-K100 HydrophobicContact CE1-CB 3.7Å; F34-K100 HydrophobicContact CE1-CD 3.94Å; F34-K100 HydrophobicContact CE1-CG 3.86Å; F34-K100 HydrophobicContact CE2-CG 4.5Å; F34-K100 HydrophobicContact CZ-CB 4.4Å; F34-K100 HydrophobicContact CZ-CD 3.85Å; F34-K100 HydrophobicContact CZ-CG 4.06Å; K100-S102 WeakPolarHBondContact CE-OG 3.41Å; K100-V114 WeakPolarHBondContact O-CA 3.32Å; K100-S115 PolarHBondContact N-O 3.46Å; K100-S115 PolarHBondContact O-N 3.22Å; K100-L200 HydrophobicContact CB-CD1 4.19Å
101A97.9Very high96.6Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-97.1132.6166.400000109.6S32 L33 F35 L67 K113S32-A101 CarbonylContact C-O 3.52Å; S32-A101 WeakPolarHBondContact CA-O 3.25Å; S32-A101 WeakPolarHBondContact CB-O 3.22Å; L33-A101 PolarHBondContact N-O 3.38Å; L33-A101 PolarHBondContact O-N 3.17Å; F35-A101 HydrophobicContact CD1-CB 4.33Å; F35-A101 HydrophobicContact CE1-CB 3.79Å; L67-A101 HydrophobicContact CD2-CB 3.58Å; A101-K113 CarbonylContact C-O 3.52Å; A101-K113 WeakPolarHBondContact CA-O 3.17Å
102S97.2Very high96.8Very high9 Ų935.6 Ų35.66%0.06319%0.187CC..EExtended strand (participates in β ladder)trans-125.8125.1172.6-44.10000108.7K100 K113K100-S102 WeakPolarHBondContact CE-OG 3.41Å; S102-K113 PolarHBondContact N-O 3.29Å; S102-K113 PolarHBondContact O-N 2.98Å
103V97.9Very high96.8Very high1 Ų134.7 Ų34.71%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-114.9112.9179.3177.30000107.7I31 F45 L65 L67 L110 T111 L112I31-V103 HydrophobicContact CG2-CB 3.77Å; I31-V103 HydrophobicContact CG2-CG1 4.37Å; I31-V103 PolarHBondContact N-O 3.12Å; I31-V103 PolarHBondContact O-N 2.9Å; F45-V103 HydrophobicContact CE1-CG2 4.32Å; F45-V103 HydrophobicContact CZ-CG2 4.3Å; L65-V103 HydrophobicContact CD1-CG1 4.21Å; L65-V103 HydrophobicContact CD2-CG1 4.28Å; L67-V103 HydrophobicContact CD1-CG2 4.07Å; L67-V103 HydrophobicContact CD2-CG2 4.42Å; V103-L110 HydrophobicContact CG1-CD1 3.91Å; V103-L110 HydrophobicContact CG1-CD2 4.28Å; V103-L110 HydrophobicContact CG1-CG 4.12Å; V103-T111 WeakPolarHBondContact CA-O 3.4Å; V103-L112 HydrophobicContact CG2-CD1 3.92Å
104E97Very high96.8Very high101 Ų10134.7 Ų34.747%0.47218%0.177SC..EExtended strand (participates in β ladder)trans-116.5120178.7-67.7-179.9-159.800109.2T29 L110 T111T29-E104 CarbonylContact O-C 3.52Å; T29-E104 VanDerWaalsContact O-CA 3.31Å; T29-E104 WeakPolarHBondContact O-CA 3.34Å; E104-L110 CarbonylContact O-C 3.5Å; E104-L110 WeakPolarHBondContact O-CA 3.44Å; E104-T111 PolarHBondContact N-O 2.67Å; E104-T111 PolarHBondContact O-N 2.6Å
105R96Very high96.7Very high1 Ų134.2 Ų34.20%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-117.7131176-172.1-1716383.81.8109.8V25 E26 Q28 T29 G107 L109 L110 S133V25-R105 PolarHBondContact O-NH2 2.81Å; E26-R105 PolarHBondContact O-NH2 2.98Å; Q28-R105 CarbonylContact C-O 3.58Å; Q28-R105 WeakPolarHBondContact CA-O 3.25Å; Q28-R105 WeakPolarHBondContact CG-O 3.33Å; T29-R105 PolarHBondContact N-O 2.77Å; T29-R105 PolarHBondContact O-N 3.36Å; T29-R105 PolarHBondContact OG1-NE 3.04Å; T29-R105 PolarHBondContact OG1-NH2 2.87Å; R105-G107 PolarHBondContact NH1-O 3.38Å; R105-L109 CarbonylContact C-O 3.3Å; R105-L109 WeakPolarHBondContact CA-O 3.29Å; R105-L109 WeakPolarHBondContact CG-O 3.48Å; R105-L110 HydrophobicContact CB-CD1 4.48Å; R105-L110 HydrophobicContact CG-CB 4.41Å; R105-S133 PolarHBondContact NH1-O 3.29Å; R105-S133 VanDerWaalsContact NH1-O 3.16Å
106V95Very high96.6Very high93 Ų9331.4 Ų31.456%0.56416%0.158SC*.EExtended strand (participates in β ladder)trans-127.3108169.8-178.80000108.1Q28 K108 L109Q28-V106 HydrophobicContact CG-CG2 4.19Å; V106-K108 PolarHBondContact O-N 2.83Å; V106-L109 PolarHBondContact N-O 3.34Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-L109 VanDerWaalsContact O-N 3.09Å
107G93.8Very high96.5Very high17 Ų1732.4 Ų32.418%0.17516%0.161CC..THydrogen-bonded Turntrans57.9-113.5-172.200000111.4A27 R105 S133A27-G107 PolarHBondContact O-N 3.18Å; R105-G107 PolarHBondContact NH1-O 3.38Å; G107-S133 CarbonylContact C-O 3.46Å; G107-S133 VanDerWaalsContact CA-O 3.31Å; G107-S133 WeakPolarHBondContact CA-O 3.34Å
108K95.6Very high96.3Very high62 Ų6232.6 Ų32.627%0.2719%0.188SC..THydrogen-bonded Turntrans-88.4-21.2-179.9-64.9-171.868.5-162.80114.4V106 F127 S128 G130V106-K108 PolarHBondContact O-N 2.83Å; K108-F127 HydrophobicContact CB-CD1 4.06Å; K108-F127 CarbonylContact O-C 3.55Å; K108-F127 WeakPolarHBondContact O-CA 3.42Å; K108-S128 WeakPolarHBondContact CB-OG 3.48Å; K108-S128 WeakPolarHBondContact CE-O 3.23Å; K108-S128 WeakPolarHBondContact CE-OG 3.36Å; K108-S128 WeakPolarHBondContact CG-OG 3.4Å; K108-S128 PolarHBondContact NZ-O 3.2Å; K108-S128 PolarHBondContact O-N 2.82Å; K108-G130 VanDerWaalsContact CE-O 3.24Å; K108-G130 WeakPolarHBondContact CE-O 3.3Å; K108-G130 PolarHBondContact NZ-O 3.12Å
109L97.1Very high96.2Very high46 Ų4635.6 Ų35.624%0.24120%0.203CC..EExtended strand (participates in β ladder)trans-81.3126.1-177.4177.660.5000108.8R105 V106 E125 F127R105-L109 CarbonylContact C-O 3.3Å; R105-L109 WeakPolarHBondContact CA-O 3.29Å; R105-L109 WeakPolarHBondContact CG-O 3.48Å; V106-L109 PolarHBondContact N-O 3.34Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-L109 VanDerWaalsContact O-N 3.09Å; L109-E125 HydrophobicContact CD1-CB 4.13Å; L109-E125 HydrophobicContact CD1-CG 4.49Å; L109-F127 HydrophobicContact CB-CD1 4.18Å; L109-F127 HydrophobicContact CB-CE1 3.79Å; L109-F127 HydrophobicContact CB-CZ 4.15Å; L109-F127 HydrophobicContact CD1-CD2 4.18Å; L109-F127 HydrophobicContact CD1-CE1 4.26Å; L109-F127 HydrophobicContact CD1-CE2 3.81Å; L109-F127 HydrophobicContact CD1-CZ 3.86Å; L109-F127 HydrophobicContact CD2-CZ 4.4Å; L109-F127 HydrophobicContact CG-CE1 4.49Å; L109-F127 HydrophobicContact CG-CZ 4.36Å
110L98.2Very high96.1Very high0 Ų040.7 Ų40.70%024%0.236CC..EExtended strand (participates in β ladder)trans-118130.6169.8-173.9147.5000109.2L65 C76 F78 V87 V103 E104 R105 L112 E125 I126L65-L110 HydrophobicContact CD1-CD1 3.6Å; C76-L110 HydrophobicContact CB-CD2 4.01Å; F78-L110 HydrophobicContact CD1-CD1 3.69Å; F78-L110 HydrophobicContact CD2-CD1 4.43Å; F78-L110 HydrophobicContact CE1-CB 3.85Å; F78-L110 HydrophobicContact CE1-CD1 3.9Å; F78-L110 HydrophobicContact CE1-CG 4.41Å; F78-L110 HydrophobicContact CE2-CB 4.47Å; F78-L110 HydrophobicContact CG-CD1 3.98Å; F78-L110 HydrophobicContact CZ-CB 3.83Å; F78-L110 HydrophobicContact CZ-CD1 4.34Å; V87-L110 HydrophobicContact CG1-CD2 3.56Å; V103-L110 HydrophobicContact CG1-CD1 3.91Å; V103-L110 HydrophobicContact CG1-CD2 4.28Å; V103-L110 HydrophobicContact CG1-CG 4.12Å; E104-L110 CarbonylContact O-C 3.5Å; E104-L110 WeakPolarHBondContact O-CA 3.44Å; R105-L110 HydrophobicContact CB-CD1 4.48Å; R105-L110 HydrophobicContact CG-CB 4.41Å; L110-L112 HydrophobicContact CD2-CB 4.42Å; L110-E125 CarbonylContact O-C 3.56Å; L110-E125 VanDerWaalsContact O-CA 3.29Å; L110-E125 WeakPolarHBondContact O-CA 3.35Å; L110-I126 HydrophobicContact CB-CG2 4.25Å; L110-I126 PolarHBondContact N-O 3.44Å; L110-I126 PolarHBondContact O-N 3.29Å
111T98.3Very high96.1Very high19 Ų1941.6 Ų41.612%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-112.4123175.3-52.70000108.3V103 E104 Q123 T124 E125V103-T111 WeakPolarHBondContact CA-O 3.4Å; E104-T111 PolarHBondContact N-O 2.67Å; E104-T111 PolarHBondContact O-N 2.6Å; T111-Q123 HydrophobicContact CG2-CG 3.58Å; T111-T124 CarbonylContact C-O 3.05Å; T111-T124 WeakPolarHBondContact CA-O 3.36Å; T111-E125 HydrophobicContact CG2-CG 3.95Å
112L98.5Very high96.1Very high0 Ų042.5 Ų42.50%025%0.249CC..EExtended strand (participates in β ladder)trans-106.1119.2170.4172.263.2000108.5L67 A74 C76 V87 V103 L110 V114 Q123 T124L67-L112 HydrophobicContact CD1-CD1 3.89Å; A74-L112 HydrophobicContact CB-CD2 4.43Å; A74-L112 WeakPolarHBondContact O-CD2 3Å; C76-L112 HydrophobicContact CB-CD2 4.38Å; V87-L112 HydrophobicContact CG1-CB 4.01Å; V87-L112 HydrophobicContact CG1-CD2 4.49Å; V103-L112 HydrophobicContact CG2-CD1 3.92Å; L110-L112 HydrophobicContact CD2-CB 4.42Å; L112-V114 HydrophobicContact CD1-CG2 4.41Å; L112-V114 HydrophobicContact CG-CG2 4.45Å; L112-Q123 WeakPolarHBondContact O-CA 3.46Å; L112-T124 PolarHBondContact N-O 3.14Å; L112-T124 PolarHBondContact O-N 3.2Å; L112-T124 PolarHBondContact O-OG1 2.86Å
113K98.2Very high96.1Very high64 Ų6447.2 Ų47.228%0.27827%0.27SS..EExtended strand (participates in β ladder)trans-114.1129.6175.4-177.9177.7178.3172.70110.7A101 S102 D121 D122A101-K113 CarbonylContact C-O 3.52Å; A101-K113 WeakPolarHBondContact CA-O 3.17Å; S102-K113 PolarHBondContact N-O 3.29Å; S102-K113 PolarHBondContact O-N 2.98Å; K113-D121 WeakPolarHBondContact CE-OD2 2.85Å; K113-D121 IonicContact NZ-OD2 2.68Å; K113-D121 PolarHBondContact NZ-OD2 3.42Å; K113-D122 CarbonylContact C-O 3.5Å; K113-D122 VanDerWaalsContact CA-O 3.29Å; K113-D122 WeakPolarHBondContact CA-O 3.11Å
114V98.1Very high96.1Very high0 Ų048 Ų480%028%0.275CS..EExtended strand (participates in β ladder)trans-120.5118.3175.4-179.80000110.1A74 K91 V93 H99 K100 L112 D122A74-V114 HydrophobicContact CB-CG2 3.89Å; K91-V114 HydrophobicContact CD-CB 4.43Å; K91-V114 HydrophobicContact CD-CG1 4.1Å; V93-V114 HydrophobicContact CG1-CG1 3.8Å; H99-V114 HydrophobicContact CB-CG1 4.3Å; K100-V114 WeakPolarHBondContact O-CA 3.32Å; L112-V114 HydrophobicContact CD1-CG2 4.41Å; L112-V114 HydrophobicContact CG-CG2 4.45Å; V114-D122 PolarHBondContact N-O 3.29Å; V114-D122 PolarHBondContact O-N 3.12Å
115S96.5Very high96.2Very high15 Ų1548.4 Ų48.411%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-108.4137.8177.6-59.70000110.9H99 K100 D121H99-S115 CarbonylContact C-O 3.57Å; H99-S115 WeakPolarHBondContact CA-O 3.15Å; K100-S115 PolarHBondContact N-O 3.46Å; K100-S115 PolarHBondContact O-N 3.22Å; S115-D121 WeakPolarHBondContact CA-OD1 3.23Å; S115-D121 WeakPolarHBondContact CB-OD1 3.34Å; S115-D121 VanDerWaalsContact OG-CG 3.32Å; S115-D121 PolarHBondContact OG-OD1 3.26Å
116T94.8Very high96.3Very high4 Ų450.3 Ų50.33%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-136.1136.8177.5-48.90000108H99 G118 E119H99-T116 PolarHBondContact ND1-OG1 3.49Å; T116-G118 PolarHBondContact O-N 3.42Å; T116-E119 PolarHBondContact O-N 2.89Å
117E91.7Very high96.4Very high89 Ų8952 Ų5242%0.41629%0.286SS..THydrogen-bonded Turntrans-61.7133-176.5-171.5163.9-104.300111.1R97 E119 E199 L200R97-E117 PolarHBondContact NH2-O 2.87Å; E117-E119 VanDerWaalsContact C-N 3.28Å; E117-E119 PolarHBondContact O-N 3.11Å; E117-E199 HydrophobicContact CB-CB 4.39Å; E117-E199 WeakPolarHBondContact OE2-CA 3.17Å; E117-E199 WeakPolarHBondContact OE2-CB 3.37Å; E117-E199 WeakPolarHBondContact OE2-CG 3.29Å; E117-L200 HydrophobicContact CB-CD2 4.07Å; E117-L200 HydrophobicContact CB-CG 4.31Å; E117-L200 PolarHBondContact OE1-N 2.92Å
118G91.8Very high96.4Very high86 Ų8651.3 Ų51.389%0.88728%0.279SS*.THydrogen-bonded Turntrans77.44.4-178.900000115.5T116T116-G118 PolarHBondContact O-N 3.42Å
119E94Very high96.2Very high74 Ų7454.2 Ų54.235%0.34629%0.293SS..SBendtrans-123.5153178.5-64.6-179.3-16300111.9K91 R97 T116 E117K91-E119 IonicContact NZ-OE2 2.94Å; K91-E119 PolarHBondContact NZ-OE2 3.46Å; R97-E119 IonicContact CZ-OE1 3.69Å; R97-E119 IonicContact NH1-OE1 3.63Å; R97-E119 PolarHBondContact NH1-OE1 2.82Å; R97-E119 IonicContact NH2-OE1 2.71Å; T116-E119 PolarHBondContact O-N 2.89Å; E117-E119 VanDerWaalsContact C-N 3.28Å; E117-E119 PolarHBondContact O-N 3.11Å
120P94.9Very high95.8Very high109 Ų10954.2 Ų54.271%0.70830%0.304SS*.PPolyproline II helixtrans-61.3144.717027.2-34.4000110.2K91K91-P120 WeakPolarHBondContact CE-O 3.2Å; K91-P120 PolarHBondContact NZ-O 3.07Å
121D95.1Very high95.4Very high84 Ų8459.7 Ų59.745%0.44934%0.343SS..PPolyproline II helixtrans-61.6140.5173.5-71.5-28.1000110.7K113 S115K113-D121 WeakPolarHBondContact CE-OD2 2.85Å; K113-D121 IonicContact NZ-OD2 2.68Å; K113-D121 PolarHBondContact NZ-OD2 3.42Å; S115-D121 WeakPolarHBondContact CA-OD1 3.23Å; S115-D121 WeakPolarHBondContact CB-OD1 3.34Å; S115-D121 VanDerWaalsContact OG-CG 3.32Å; S115-D121 PolarHBondContact OG-OD1 3.26Å
122D97.7Very high95.2Very high19 Ų1963.2 Ų63.210%0.10236%0.357CS..EExtended strand (participates in β ladder)trans-99.3130.7167.7176.662.3000109.1S89 N90 K91 K113 V114S89-D122 WeakPolarHBondContact CA-OD2 2.93Å; S89-D122 WeakPolarHBondContact CB-OD2 3.38Å; N90-D122 WeakPolarHBondContact CB-OD1 3.38Å; N90-D122 PolarHBondContact N-OD2 3.42Å; N90-D122 PolarHBondContact ND2-OD1 3.35Å; K91-D122 HydrophobicContact CD-CB 3.66Å; K91-D122 HydrophobicContact CG-CB 3.78Å; K113-D122 CarbonylContact C-O 3.5Å; K113-D122 VanDerWaalsContact CA-O 3.29Å; K113-D122 WeakPolarHBondContact CA-O 3.11Å; V114-D122 PolarHBondContact N-O 3.29Å; V114-D122 PolarHBondContact O-N 3.12Å
123Q98.1Very high94.9Very high107 Ų10765.6 Ų65.650%0.537%0.373SS..EExtended strand (participates in β ladder)trans-131.5129.4178.1-178.9173-39.700109.3T111 L112 E125T111-Q123 HydrophobicContact CG2-CG 3.58Å; L112-Q123 WeakPolarHBondContact O-CA 3.46Å; Q123-E125 PolarHBondContact NE2-OE1 2.98Å
124T98.2Very high94.6Very high19 Ų1965.3 Ų65.312%0.11737%0.374CS..EExtended strand (participates in β ladder)trans-133.6145.8179.754.30000109.6V87 T111 L112V87-T124 WeakPolarHBondContact CG2-OG1 3.48Å; T111-T124 CarbonylContact C-O 3.05Å; T111-T124 WeakPolarHBondContact CA-O 3.36Å; L112-T124 PolarHBondContact N-O 3.14Å; L112-T124 PolarHBondContact O-N 3.2Å; L112-T124 PolarHBondContact O-OG1 2.86Å
125E98Very high94.3Very high109 Ų10965.3 Ų65.351%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-132.4146.2-172.8-70.1177.3-172.900110.8L109 L110 T111 Q123L109-E125 HydrophobicContact CD1-CB 4.13Å; L109-E125 HydrophobicContact CD1-CG 4.49Å; L110-E125 CarbonylContact O-C 3.56Å; L110-E125 VanDerWaalsContact O-CA 3.29Å; L110-E125 WeakPolarHBondContact O-CA 3.35Å; T111-E125 HydrophobicContact CG2-CG 3.95Å; Q123-E125 PolarHBondContact NE2-OE1 2.98Å
126I98.2Very high94Very high40 Ų4068 Ų6821%0.20539%0.387CS..EExtended strand (participates in β ladder)trans-146.3146.9172.6-168.3164.6000111.1F78 A85 S86 V87 L110F78-I126 HydrophobicContact CE1-CG2 3.8Å; F78-I126 HydrophobicContact CZ-CG2 4.34Å; A85-I126 HydrophobicContact CB-CD1 4.19Å; S86-I126 WeakPolarHBondContact O-CD1 3.43Å; V87-I126 HydrophobicContact CB-CB 3.99Å; V87-I126 HydrophobicContact CB-CG2 3.66Å; V87-I126 HydrophobicContact CG1-CG2 3.82Å; V87-I126 HydrophobicContact CG2-CB 4.44Å; L110-I126 HydrophobicContact CB-CG2 4.25Å; L110-I126 PolarHBondContact N-O 3.44Å; L110-I126 PolarHBondContact O-N 3.29Å
127F97.3Very high93.7Very high129 Ų12968.5 Ų68.557%0.56639%0.39SS*.EExtended strand (participates in β ladder)trans-96.3134.9165.6-74.6-90.3000110.2K108 L109K108-F127 HydrophobicContact CB-CD1 4.06Å; K108-F127 CarbonylContact O-C 3.55Å; K108-F127 WeakPolarHBondContact O-CA 3.42Å; L109-F127 HydrophobicContact CB-CD1 4.18Å; L109-F127 HydrophobicContact CB-CE1 3.79Å; L109-F127 HydrophobicContact CB-CZ 4.15Å; L109-F127 HydrophobicContact CD1-CD2 4.18Å; L109-F127 HydrophobicContact CD1-CE1 4.26Å; L109-F127 HydrophobicContact CD1-CE2 3.81Å; L109-F127 HydrophobicContact CD1-CZ 3.86Å; L109-F127 HydrophobicContact CD2-CZ 4.4Å; L109-F127 HydrophobicContact CG-CE1 4.49Å; L109-F127 HydrophobicContact CG-CZ 4.36Å
128S95.2Very high93.4Very high3 Ų366.8 Ų66.82%0.02138%0.383CS..PPolyproline II helixtrans-59.7152.2168.861.20000111.9K108K108-S128 WeakPolarHBondContact CB-OG 3.48Å; K108-S128 WeakPolarHBondContact CE-O 3.23Å; K108-S128 WeakPolarHBondContact CE-OG 3.36Å; K108-S128 WeakPolarHBondContact CG-OG 3.4Å; K108-S128 PolarHBondContact NZ-O 3.2Å; K108-S128 PolarHBondContact O-N 2.82Å
129H89.6Confident92.8Very high122 Ų12270 Ų7057%0.56537%0.373SS*.SBendtrans-75.4166.7169.8-59.1-65.5000110.9
130G89Confident92.1Very high46 Ų4672.2 Ų72.247%0.47439%0.387SS..SBendtrans73.9-170.5177.300000115K108K108-G130 VanDerWaalsContact CE-O 3.24Å; K108-G130 WeakPolarHBondContact CE-O 3.3Å; K108-G130 PolarHBondContact NZ-O 3.12Å
131S90.7Very high91.5Very high116 Ų11670.5 Ų70.581%0.81137%0.369SS*.SBendtrans-98-12.8-172.854.60000114.3
132K93Very high91.2Very high93 Ų9366.7 Ų66.740%0.40435%0.348SS..  trans-81139.9-176.7-65.8-173.5-177.61740111.7L80 G81 A82L80-K132 HydrophobicContact CB-CB 4.27Å; L80-K132 WeakPolarHBondContact O-CB 3.36Å; L80-K132 WeakPolarHBondContact O-CD 3.27Å; G81-K132 WeakPolarHBondContact O-CD 3.4Å; G81-K132 VanDerWaalsContact O-CE 3.31Å; G81-K132 WeakPolarHBondContact O-CE 3.4Å; G81-K132 PolarHBondContact O-NZ 2.92Å; A82-K132 HydrophobicContact CB-CB 3.92Å; A82-K132 HydrophobicContact CB-CD 4.07Å; A82-K132 HydrophobicContact CB-CG 3.93Å
133S92.5Very high90.9Very high50 Ų5067.9 Ų67.935%0.3535%0.353SS..  trans-128.81.2-177.763.80000113.7R105 G107R105-S133 PolarHBondContact NH1-O 3.29Å; R105-S133 VanDerWaalsContact NH1-O 3.16Å; G107-S133 CarbonylContact C-O 3.46Å; G107-S133 VanDerWaalsContact CA-O 3.31Å; G107-S133 WeakPolarHBondContact CA-O 3.34Å
134I92.5Very high90.6Very high57 Ų5762.9 Ų62.929%0.29233%0.33SS..  trans-111134-176.6-58.5-59.1000108.6E26 A27 N136E26-I134 HydrophobicContact CB-CG2 3.96Å; E26-I134 HydrophobicContact CG-CG2 4.33Å; E26-I134 WeakPolarHBondContact O-CA 3.09Å; A27-I134 HydrophobicContact CB-CD1 4.05Å; I134-N136 WeakPolarHBondContact CG2-OD1 3.41Å; I134-N136 PolarHBondContact O-N 2.69Å; I134-N136 PolarHBondContact O-ND2 3.29Å
135L92.1Very high90.3Very high1 Ų162.2 Ų62.21%0.00533%0.325CS..  trans-85.495.2170.4-176.373.7000108.3E26 L47 D63 L65 L80 L137E26-L135 PolarHBondContact O-N 3.22Å; L47-L135 HydrophobicContact CD2-CD2 4.27Å; D63-L135 HydrophobicContact CB-CD1 4.09Å; L65-L135 HydrophobicContact CB-CD2 4.43Å; L80-L135 HydrophobicContact CD2-CB 3.96Å; L80-L135 HydrophobicContact CD2-CD1 3.91Å; L135-L137 HydrophobicContact CD1-CD2 4.43Å; L135-L137 HydrophobicContact CD2-CD1 4.05Å; L135-L137 HydrophobicContact CD2-CD2 4.26Å; L135-L137 HydrophobicContact CD2-CG 4.12Å; L135-L137 HydrophobicContact CG-CD1 4.46Å; L135-L137 HydrophobicContact CG-CD2 3.99Å; L135-L137 HydrophobicContact CG-CG 3.97Å; L135-L137 PolarHBondContact O-N 2.93Å; L135-L137 VanDerWaalsContact O-N 3.08Å
136N89.3Confident90.1Very high71 Ų7157 Ų5738%0.3830%0.301SS..  trans-81.188.7-173.2-58.3-74.8000111.1N49 D63 I134N49-N136 PolarHBondContact ND2-O 3.18Å; D63-N136 HydrophobicContact CB-CB 4.49Å; D63-N136 VanDerWaalsContact OD2-CB 3.27Å; D63-N136 WeakPolarHBondContact OD2-CB 3.08Å; D63-N136 PolarHBondContact OD2-N 2.7Å; D63-N136 PolarHBondContact OD2-ND2 2.82Å; I134-N136 WeakPolarHBondContact CG2-OD1 3.41Å; I134-N136 PolarHBondContact O-N 2.69Å; I134-N136 PolarHBondContact O-ND2 3.29Å
137L88.4Confident89.9Confident15 Ų1555.1 Ų55.18%0.07929%0.291CS..  trans-93122.6178.7-61.7-174.2000112L22 V25 L47 L135 S142L22-L137 HydrophobicContact CD2-CB 3.66Å; L22-L137 HydrophobicContact CD2-CD1 3.75Å; L22-L137 HydrophobicContact CD2-CG 4.4Å; V25-L137 HydrophobicContact CG2-CD1 3.51Å; V25-L137 HydrophobicContact CG2-CG 4.44Å; L47-L137 HydrophobicContact CD1-CD1 3.75Å; L47-L137 HydrophobicContact CD2-CD1 3.94Å; L47-L137 HydrophobicContact CG-CD1 3.75Å; L135-L137 HydrophobicContact CD1-CD2 4.43Å; L135-L137 HydrophobicContact CD2-CD1 4.05Å; L135-L137 HydrophobicContact CD2-CD2 4.26Å; L135-L137 HydrophobicContact CD2-CG 4.12Å; L135-L137 HydrophobicContact CG-CD1 4.46Å; L135-L137 HydrophobicContact CG-CD2 3.99Å; L135-L137 HydrophobicContact CG-CG 3.97Å; L135-L137 PolarHBondContact O-N 2.93Å; L135-L137 VanDerWaalsContact O-N 3.08Å; L137-S142 VanDerWaalsContact C-OG 3.27Å; L137-S142 VanDerWaalsContact CA-OG 3.32Å; L137-S142 WeakPolarHBondContact CA-OG 2.93Å; L137-S142 VanDerWaalsContact CB-OG 3.31Å; L137-S142 WeakPolarHBondContact CB-OG 3.35Å
138N85.1Confident89.7Confident52 Ų5249 Ų4928%0.27826%0.264SS..  trans-71.2133175.8-170.3-75.4000113N49 N140 F141 S142N49-N138 WeakPolarHBondContact OD1-CB 3.24Å; N49-N138 PolarHBondContact OD1-N 3.4Å; N138-N140 PolarHBondContact O-N 2.98Å; N138-N140 VanDerWaalsContact O-N 3.09Å; N138-N140 PolarHBondContact OD1-N 3.47Å; N138-F141 HydrophobicContact CB-CB 4.27Å; N138-F141 HydrophobicContact CB-CD2 4.15Å; N138-F141 VanDerWaalsContact CG-CD2 3.4Å; N138-F141 PolarHBondContact O-N 2.7Å; N138-F141 WeakPolarHBondContact OD1-CD2 3.43Å; N138-F141 PolarHBondContact OD1-N 2.58Å; N138-S142 PolarHBondContact N-OG 3.35Å; N138-S142 WeakPolarHBondContact O-CB 3.42Å; N138-S142 PolarHBondContact O-N 2.77Å; N138-S142 PolarHBondContact O-OG 2.86Å
139K79.9Confident89.5Confident153 Ų15349 Ų4967%0.66527%0.265SS*.THydrogen-bonded Turntrans-56.3-29.8179.2-169177.9175.6-173.40114.9K18 L22K18-K139 WeakPolarHBondContact CE-O 3.33Å; K18-K139 PolarHBondContact NZ-O 2.78Å; L22-K139 VanDerWaalsContact CD1-CA 3.41Å; L22-K139 HydrophobicContact CD1-CB 4.17Å; L22-K139 HydrophobicContact CD1-CG 4.32Å
140N79.8Confident89.4Confident121 Ų12144.6 Ų44.665%0.64725%0.246SC*.THydrogen-bonded Turntrans-106.8-26.6-173.2-60.3-25.2000112.6N138N138-N140 PolarHBondContact O-N 2.98Å; N138-N140 VanDerWaalsContact O-N 3.09Å; N138-N140 PolarHBondContact OD1-N 3.47Å
141F82.3Confident89.3Confident74 Ų7449.2 Ų49.233%0.32527%0.266SS..THydrogen-bonded Turntrans-109.7-15.2-172.2-50.2-59.5000114.1Q50 N52 N138Q50-F141 VanDerWaalsContact CB-O 3.27Å; Q50-F141 WeakPolarHBondContact CB-O 3.27Å; Q50-F141 PolarHBondContact N-O 3.13Å; N52-F141 WeakPolarHBondContact ND2-CE1 3.37Å; N52-F141 WeakPolarHBondContact ND2-CE2 3.31Å; N52-F141 WeakPolarHBondContact ND2-CZ 3.28Å; N138-F141 HydrophobicContact CB-CB 4.27Å; N138-F141 HydrophobicContact CB-CD2 4.15Å; N138-F141 VanDerWaalsContact CG-CD2 3.4Å; N138-F141 PolarHBondContact O-N 2.7Å; N138-F141 WeakPolarHBondContact OD1-CD2 3.43Å; N138-F141 PolarHBondContact OD1-N 2.58Å
142S88.8Confident89Confident3 Ų348.2 Ų48.22%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-73.4139.3176.8-50.90000112.3G48 N49 L137 N138G48-S142 CarbonylContact O-C 3.54Å; G48-S142 WeakPolarHBondContact O-CA 3.37Å; N49-S142 PolarHBondContact OD1-OG 3.43Å; L137-S142 VanDerWaalsContact C-OG 3.27Å; L137-S142 VanDerWaalsContact CA-OG 3.32Å; L137-S142 WeakPolarHBondContact CA-OG 2.93Å; L137-S142 VanDerWaalsContact CB-OG 3.31Å; L137-S142 WeakPolarHBondContact CB-OG 3.35Å; N138-S142 PolarHBondContact N-OG 3.35Å; N138-S142 WeakPolarHBondContact O-CB 3.42Å; N138-S142 PolarHBondContact O-N 2.77Å; N138-S142 PolarHBondContact O-OG 2.86Å
143K90.1Very high88.8Confident44 Ų4444.5 Ų44.519%0.19124%0.242CC..EExtended strand (participates in β ladder)trans-121.5145.9-178.6-61.8-68.2-176.2158.60110.2E15 L47 G48 F145 F153E15-K143 HydrophobicContact CG-CD 4.44Å; E15-K143 VanDerWaalsContact OE1-CD 3.32Å; E15-K143 WeakPolarHBondContact OE1-CD 3.33Å; E15-K143 IonicContact OE1-NZ 2.68Å; E15-K143 PolarHBondContact OE1-NZ 2.76Å; E15-K143 IonicContact OE2-NZ 3.04Å; E15-K143 PolarHBondContact OE2-NZ 3.16Å; L47-K143 WeakPolarHBondContact CA-O 3.4Å; G48-K143 PolarHBondContact N-O 3.26Å; G48-K143 VanDerWaalsContact N-O 3.13Å; G48-K143 PolarHBondContact O-N 3.36Å; K143-F145 HydrophobicContact CB-CD2 3.85Å; K143-F145 HydrophobicContact CB-CE1 4.49Å; K143-F145 HydrophobicContact CB-CE2 3.33Å; K143-F145 HydrophobicContact CB-CZ 3.7Å; K143-F145 HydrophobicContact CD-CZ 4.12Å; K143-F145 HydrophobicContact CG-CE2 3.82Å; K143-F145 HydrophobicContact CG-CZ 3.83Å; K143-F153 HydrophobicContact CB-CE2 4.38Å; K143-F153 HydrophobicContact CG-CE2 4.11Å
144L91.9Very high88.6Confident3 Ų350.1 Ų50.12%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-117.1107.5166.8174.763.3000107.8L16 L21 F46 L47 I146 L173L16-L144 HydrophobicContact CB-CD2 4.07Å; L16-L144 HydrophobicContact CB-CG 4.32Å; L16-L144 HydrophobicContact CD1-CD2 4.33Å; L16-L144 PolarHBondContact N-O 3.31Å; L21-L144 HydrophobicContact CD2-CD2 4.32Å; F46-L144 CarbonylContact O-C 3.57Å; F46-L144 WeakPolarHBondContact O-CA 3.34Å; L47-L144 HydrophobicContact CB-CD1 4.16Å; L47-L144 HydrophobicContact CD1-CB 4.14Å; L47-L144 HydrophobicContact CD1-CD1 4.31Å; L144-I146 HydrophobicContact CD1-CD1 4.22Å; L144-I146 HydrophobicContact CG-CD1 4.47Å; L144-L173 HydrophobicContact CD2-CD2 4.12Å
145F93.2Very high88.5Confident4 Ų449.2 Ų49.22%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-108.6143.2177.7-64-66000111.2T13 L14 E15 F45 F46 K143 G148 V149 P150 F153T13-F145 HydrophobicContact CG2-CD1 3.93Å; T13-F145 HydrophobicContact CG2-CE1 4.46Å; L14-F145 CarbonylContact O-C 3.5Å; L14-F145 VanDerWaalsContact O-CA 3.28Å; L14-F145 WeakPolarHBondContact O-CA 3.36Å; E15-F145 HydrophobicContact CB-CD1 3.86Å; E15-F145 HydrophobicContact CB-CE1 3.72Å; E15-F145 HydrophobicContact CG-CD1 4.11Å; E15-F145 HydrophobicContact CG-CE1 3.77Å; F45-F145 CarbonylContact C-O 3.56Å; F45-F145 WeakPolarHBondContact CA-O 3.25Å; F45-F145 WeakPolarHBondContact CB-O 3.16Å; F46-F145 HydrophobicContact CB-CB 4.41Å; F46-F145 HydrophobicContact CD1-CD2 4.2Å; F46-F145 PolarHBondContact N-O 2.89Å; F46-F145 PolarHBondContact O-N 3.24Å; K143-F145 HydrophobicContact CB-CD2 3.85Å; K143-F145 HydrophobicContact CB-CE1 4.49Å; K143-F145 HydrophobicContact CB-CE2 3.33Å; K143-F145 HydrophobicContact CB-CZ 3.7Å; K143-F145 HydrophobicContact CD-CZ 4.12Å; K143-F145 HydrophobicContact CG-CE2 3.82Å; K143-F145 HydrophobicContact CG-CZ 3.83Å; F145-G148 VanDerWaalsContact CB-O 3.29Å; F145-G148 WeakPolarHBondContact CB-O 3.3Å; F145-V149 HydrophobicContact CB-CG1 4Å; F145-V149 HydrophobicContact CD2-CB 4.24Å; F145-V149 HydrophobicContact CD2-CG1 3.56Å; F145-V149 HydrophobicContact CE2-CG1 4.21Å; F145-V149 HydrophobicContact CG-CG1 3.92Å; F145-P150 HydrophobicContact CE1-CG 3.95Å; F145-P150 HydrophobicContact CZ-CG 4.16Å; F145-F153 HydrophobicContact CE2-CD1 4.33Å; F145-F153 AromaticContact CE2-CD2 3.57Å; F145-F153 HydrophobicContact CE2-CD2 3.57Å; F145-F153 HydrophobicContact CE2-CE1 4.44Å; F145-F153 AromaticContact CE2-CE2 3.68Å; F145-F153 HydrophobicContact CE2-CE2 3.68Å; F145-F153 AromaticContact CE2-CG 3.92Å; F145-F153 HydrophobicContact CE2-CG 3.92Å; F145-F153 HydrophobicContact CE2-CZ 4.15Å; F145-F153 HydrophobicContact CZ-CD2 4.04Å; F145-F153 HydrophobicContact CZ-CE2 4.45Å; F145-F153 HydrophobicContact CZ-CG 4.48Å
146I93.9Very high88.4Confident0 Ų050.5 Ų50.50%027%0.267CS..EExtended strand (participates in β ladder)trans-121.7134.2175.6-49.6-62.1000108.9F8 L14 L16 F45 L144 G148 I168 L171 L180F8-I146 WeakPolarHBondContact CE1-O 3.3Å; F8-I146 HydrophobicContact CE2-CG2 4.41Å; F8-I146 HydrophobicContact CZ-CB 4.35Å; F8-I146 HydrophobicContact CZ-CG2 3.8Å; L14-I146 HydrophobicContact CB-CB 4.32Å; L14-I146 PolarHBondContact N-O 2.99Å; L14-I146 PolarHBondContact O-N 3.47Å; L16-I146 HydrophobicContact CD1-CD1 4.21Å; L16-I146 HydrophobicContact CD1-CG1 3.62Å; L16-I146 HydrophobicContact CG-CG1 3.91Å; F45-I146 HydrophobicContact CB-CD1 3.71Å; L144-I146 HydrophobicContact CD1-CD1 4.22Å; L144-I146 HydrophobicContact CG-CD1 4.47Å; I146-G148 PolarHBondContact O-N 2.99Å; I146-I168 HydrophobicContact CG2-CD1 3.84Å; I146-I168 HydrophobicContact CG2-CG2 4.25Å; I146-L171 HydrophobicContact CD1-CD1 4.3Å; I146-L171 HydrophobicContact CD1-CD2 3.59Å; I146-L171 HydrophobicContact CG1-CD2 4.02Å; I146-L180 HydrophobicContact CB-CD2 4.48Å; I146-L180 HydrophobicContact CG1-CD2 4.19Å; I146-L180 HydrophobicContact CG2-CD2 4.03Å
147G93.7Very high88.5Confident0 Ų057 Ų570%029%0.292CS..SBendtrans65.9-1.8174.400000116.4L43 L44 F164L43-G147 CarbonylContact O-C 3.55Å; L43-G147 VanDerWaalsContact O-C 3.3Å; L43-G147 WeakPolarHBondContact O-CA 3.44Å; L44-G147 PolarHBondContact O-N 2.84Å; G147-F164 WeakPolarHBondContact O-CB 3.43Å; G147-F164 PolarHBondContact O-N 3.39Å
148G92.5Very high88.6Confident1 Ų158.5 Ų58.51%0.0130%0.302CS..BIsolated β-bridgetrans169.8179.6167.400000112.4T13 F145 I146 P162T13-G148 VanDerWaalsContact CG2-O 3.27Å; T13-G148 WeakPolarHBondContact CG2-O 3.41Å; F145-G148 VanDerWaalsContact CB-O 3.29Å; F145-G148 WeakPolarHBondContact CB-O 3.3Å; I146-G148 PolarHBondContact O-N 2.99Å; G148-P162 CarbonylContact C-O 3.57Å; G148-P162 WeakPolarHBondContact CA-O 3.36Å
149V91.1Very high89Confident4 Ų456.4 Ų56.42%0.02429%0.29CS..  trans-125.5154.9172.7-59.60000111.5T13 L43 F46 F145 F153 L155 P162 H163T13-V149 PolarHBondContact OG1-N 2.9Å; T13-V149 PolarHBondContact OG1-O 2.9Å; L43-V149 HydrophobicContact CD2-CG1 3.79Å; F46-V149 HydrophobicContact CB-CG1 4.38Å; F145-V149 HydrophobicContact CB-CG1 4Å; F145-V149 HydrophobicContact CD2-CB 4.24Å; F145-V149 HydrophobicContact CD2-CG1 3.56Å; F145-V149 HydrophobicContact CE2-CG1 4.21Å; F145-V149 HydrophobicContact CG-CG1 3.92Å; V149-F153 HydrophobicContact CB-CB 4.19Å; V149-F153 HydrophobicContact CB-CD1 4.11Å; V149-F153 HydrophobicContact CB-CG 4.36Å; V149-F153 HydrophobicContact CG1-CD1 4.16Å; V149-F153 HydrophobicContact CG2-CB 4.39Å; V149-F153 HydrophobicContact CG2-CD1 4.25Å; V149-L155 HydrophobicContact CG1-CD2 4.06Å; V149-L155 HydrophobicContact CG1-CG 4.46Å; V149-L155 HydrophobicContact CG2-CD1 3.61Å; V149-L155 HydrophobicContact CG2-CD2 4.38Å; V149-L155 HydrophobicContact CG2-CG 3.88Å; V149-P162 HydrophobicContact CG2-CB 3.93Å; V149-P162 PolarHBondContact N-O 2.94Å; V149-P162 VanDerWaalsContact N-O 3.1Å; V149-H163 PolarHBondContact O-CE1 3.42Å
150P88.5Confident89.4Confident28 Ų2853.9 Ų53.918%0.18229%0.288CS..  trans-62.2149.4173.5-19.633.4000111.3T13 F145 S152 F153T13-P150 HydrophobicContact CG2-CG 4.34Å; F145-P150 HydrophobicContact CE1-CG 3.95Å; F145-P150 HydrophobicContact CZ-CG 4.16Å; P150-S152 PolarHBondContact O-N 3.38Å; P150-F153 VanDerWaalsContact O-CB 3.28Å; P150-F153 WeakPolarHBondContact O-CB 3.22Å; P150-F153 PolarHBondContact O-N 2.82Å
151T85.3Confident90Very high144 Ų14450.7 Ų50.788%0.88327%0.271SS*.THydrogen-bonded Turntrans-61-20.7178.554.70000113.9F153T151-F153 VanDerWaalsContact C-N 3.27Å
152S85.1Confident90.4Very high94 Ų9449.3 Ų49.366%0.65727%0.269SS*.THydrogen-bonded Turntrans-80.2-5174.460.80000113.8P150P150-S152 PolarHBondContact O-N 3.38Å
153F87.8Confident90.6Very high15 Ų1551.4 Ų51.47%0.06628%0.279CS..SBendtrans-95.9126.1-179.3-171.3-87.6000110.3F46 Q50 K143 F145 V149 P150 T151 L155F46-F153 HydrophobicContact CD1-CE1 4.13Å; F46-F153 HydrophobicContact CD1-CZ 4.1Å; F46-F153 AromaticContact CE1-CE1 3.67Å; F46-F153 HydrophobicContact CE1-CE1 3.67Å; F46-F153 AromaticContact CE1-CZ 3.45Å; F46-F153 HydrophobicContact CE1-CZ 3.45Å; F46-F153 VanDerWaalsContact CE1-CZ 3.45Å; F46-F153 AromaticContact CZ-CE1 3.93Å; F46-F153 HydrophobicContact CZ-CE1 3.93Å; F46-F153 AromaticContact CZ-CZ 3.99Å; F46-F153 HydrophobicContact CZ-CZ 3.99Å; Q50-F153 HydrophobicContact CB-CD2 4.38Å; Q50-F153 HydrophobicContact CB-CE2 3.69Å; Q50-F153 HydrophobicContact CG-CD2 3.87Å; Q50-F153 HydrophobicContact CG-CE2 3.66Å; K143-F153 HydrophobicContact CB-CE2 4.38Å; K143-F153 HydrophobicContact CG-CE2 4.11Å; F145-F153 HydrophobicContact CE2-CD1 4.33Å; F145-F153 AromaticContact CE2-CD2 3.57Å; F145-F153 HydrophobicContact CE2-CD2 3.57Å; F145-F153 HydrophobicContact CE2-CE1 4.44Å; F145-F153 AromaticContact CE2-CE2 3.68Å; F145-F153 HydrophobicContact CE2-CE2 3.68Å; F145-F153 AromaticContact CE2-CG 3.92Å; F145-F153 HydrophobicContact CE2-CG 3.92Å; F145-F153 HydrophobicContact CE2-CZ 4.15Å; F145-F153 HydrophobicContact CZ-CD2 4.04Å; F145-F153 HydrophobicContact CZ-CE2 4.45Å; F145-F153 HydrophobicContact CZ-CG 4.48Å; V149-F153 HydrophobicContact CB-CB 4.19Å; V149-F153 HydrophobicContact CB-CD1 4.11Å; V149-F153 HydrophobicContact CB-CG 4.36Å; V149-F153 HydrophobicContact CG1-CD1 4.16Å; V149-F153 HydrophobicContact CG2-CB 4.39Å; V149-F153 HydrophobicContact CG2-CD1 4.25Å; P150-F153 VanDerWaalsContact O-CB 3.28Å; P150-F153 WeakPolarHBondContact O-CB 3.22Å; P150-F153 PolarHBondContact O-N 2.82Å; T151-F153 VanDerWaalsContact C-N 3.27Å; F153-L155 HydrophobicContact CD1-CD2 4.2Å; F153-L155 HydrophobicContact CD1-CG 4.2Å; F153-L155 HydrophobicContact CE1-CD2 3.99Å; F153-L155 HydrophobicContact CE1-CG 4.4Å
154E88.5Confident90.9Very high169 Ų16949.4 Ų49.479%0.7927%0.27SS*.  trans-86.2113.1176.6-66.8-176.9177.300110.3
155L90.8Very high91Very high37 Ų3750.1 Ų50.119%0.19427%0.274CS..  trans-82.1153.9172.7-77.5167.8000111.6L43 F46 V149 F153 K157 I159 P162L43-L155 HydrophobicContact CD2-CD1 4.27Å; L43-L155 HydrophobicContact CD2-CD2 4.37Å; F46-L155 HydrophobicContact CD2-CD2 3.47Å; F46-L155 VanDerWaalsContact CD2-CD2 3.47Å; F46-L155 HydrophobicContact CE2-CD2 3.65Å; F46-L155 HydrophobicContact CG-CD2 4.04Å; F46-L155 HydrophobicContact CZ-CD2 4.34Å; V149-L155 HydrophobicContact CG1-CD2 4.06Å; V149-L155 HydrophobicContact CG1-CG 4.46Å; V149-L155 HydrophobicContact CG2-CD1 3.61Å; V149-L155 HydrophobicContact CG2-CD2 4.38Å; V149-L155 HydrophobicContact CG2-CG 3.88Å; F153-L155 HydrophobicContact CD1-CD2 4.2Å; F153-L155 HydrophobicContact CD1-CG 4.2Å; F153-L155 HydrophobicContact CE1-CD2 3.99Å; F153-L155 HydrophobicContact CE1-CG 4.4Å; L155-K157 PolarHBondContact O-N 2.99Å; L155-I159 HydrophobicContact CB-CB 4.48Å; L155-I159 HydrophobicContact CD1-CB 4.47Å; L155-I159 HydrophobicContact CD1-CG2 3.92Å; L155-I159 HydrophobicContact CD2-CD1 4.25Å; L155-P162 HydrophobicContact CD1-CB 3.73Å
156P91.2Very high91.1Very high29 Ų2950 Ų5019%0.18827%0.274CS..  trans-52138.3162.9-24.234.1000111.2F46 Y64 T158 I159F46-P156 HydrophobicContact CE2-CG 4.08Å; Y64-P156 HydrophobicContact CD1-CB 4.43Å; Y64-P156 HydrophobicContact CD1-CG 3.61Å; Y64-P156 HydrophobicContact CD2-CG 4.02Å; Y64-P156 HydrophobicContact CE1-CB 3.71Å; Y64-P156 HydrophobicContact CE1-CG 3.37Å; Y64-P156 HydrophobicContact CE2-CB 4.31Å; Y64-P156 HydrophobicContact CE2-CG 3.81Å; Y64-P156 HydrophobicContact CG-CG 3.92Å; Y64-P156 VanDerWaalsContact CZ-CG 3.45Å; P156-T158 PolarHBondContact O-N 2.91Å; P156-I159 HydrophobicContact CG-CD1 4.5Å; P156-I159 PolarHBondContact O-N 2.95Å
157K90.2Very high91.2Very high207 Ų20750.7 Ų50.790%0.928%0.277SS*.THydrogen-bonded Turntrans-58.1-23.5-173.9-66.9-178179.5178.40114.3L155 I159L155-K157 PolarHBondContact O-N 2.99Å; K157-I159 VanDerWaalsContact C-N 3.27Å; K157-I159 PolarHBondContact O-N 3.5Å
158T91.4Very high91.2Very high46 Ų4650.7 Ų50.728%0.28228%0.277SS..THydrogen-bonded Turntrans-69.1-25.9177.3-55.90000113R75 V77 E84 P156 V160R75-T158 PolarHBondContact NH2-O 2.94Å; V77-T158 HydrophobicContact CG1-CG2 4.25Å; E84-T158 WeakPolarHBondContact OE1-CB 3.26Å; E84-T158 WeakPolarHBondContact OE1-CG2 3.38Å; E84-T158 PolarHBondContact OE1-OG1 2.78Å; E84-T158 PolarHBondContact OE2-OG1 2.9Å; E84-T158 VanDerWaalsContact OE2-OG1 3.06Å; P156-T158 PolarHBondContact O-N 2.91Å; T158-V160 PolarHBondContact O-N 2.81Å
159I92.7Very high91.1Very high8 Ų850.9 Ų50.94%0.04128%0.278CS..  trans-90.696.1177.5-55.8175.9000107.9L43 F46 Y64 A66 L155 P156 K157L43-I159 HydrophobicContact CD1-CG2 4.13Å; F46-I159 HydrophobicContact CD2-CD1 4Å; F46-I159 HydrophobicContact CE2-CD1 4.18Å; Y64-I159 HydrophobicContact CE2-CD1 4Å; A66-I159 HydrophobicContact CB-CD1 3.42Å; A66-I159 VanDerWaalsContact CB-CD1 3.42Å; L155-I159 HydrophobicContact CB-CB 4.48Å; L155-I159 HydrophobicContact CD1-CB 4.47Å; L155-I159 HydrophobicContact CD1-CG2 3.92Å; L155-I159 HydrophobicContact CD2-CD1 4.25Å; P156-I159 HydrophobicContact CG-CD1 4.5Å; P156-I159 PolarHBondContact O-N 2.95Å; K157-I159 VanDerWaalsContact C-N 3.27Å; K157-I159 PolarHBondContact O-N 3.5Å
160V89.1Confident91Very high100 Ų10052.7 Ų52.761%0.60630%0.297SS*.  trans-81.4-32.8-175-179.10000112T158 P162T158-V160 PolarHBondContact O-N 2.81Å; V160-P162 VanDerWaalsContact O-CD 3.3Å; V160-P162 WeakPolarHBondContact O-CD 3.28Å
161N90.9Very high91.1Very high55 Ų5551.4 Ų51.429%0.29429%0.289SS..  trans-108.4100.3-171.6-71.4-59000110.9D41 L43 H163D41-N161 HydrophobicContact CB-CB 4.17Å; D41-N161 WeakPolarHBondContact CB-ND2 3.47Å; D41-N161 PolarHBondContact OD1-ND2 2.86Å; L43-N161 WeakPolarHBondContact CB-O 3.11Å; N161-H163 PolarHBondContact O-N 3.03Å
162P91.9Very high91.2Very high45 Ų4546.3 Ų46.329%0.29226%0.257SS..  trans-76.6-3.1-170.527.4-33.2000114.7G148 V149 L155 V160G148-P162 CarbonylContact C-O 3.57Å; G148-P162 WeakPolarHBondContact CA-O 3.36Å; V149-P162 HydrophobicContact CG2-CB 3.93Å; V149-P162 PolarHBondContact N-O 2.94Å; V149-P162 VanDerWaalsContact N-O 3.1Å; L155-P162 HydrophobicContact CD1-CB 3.73Å; V160-P162 VanDerWaalsContact O-CD 3.3Å; V160-P162 WeakPolarHBondContact O-CD 3.28Å
163H93.8Very high91.3Very high47 Ų4742 Ų4222%0.21823%0.227CC..BIsolated β-bridgetrans-139.4144.9-171.9-55.3-69.4000112.2P10 G42 V149 N161P10-H163 VanDerWaalsContact O-CB 3.28Å; P10-H163 WeakPolarHBondContact O-CB 3.34Å; P10-H163 PolarHBondContact O-CD2 2.89Å; P10-H163 PolarHBondContact O-ND1 2.94Å; G42-H163 WeakPolarHBondContact CA-O 3.31Å; V149-H163 PolarHBondContact O-CE1 3.42Å; N161-H163 PolarHBondContact O-N 3.03Å
164F95.4Very high91.2Very high1 Ų143.3 Ų43.30%0.00423%0.233CC..  trans-101143.8175-177.5-110.4000110.8F8 Y9 F35 T37 L43 L44 V69 G147 I168F8-F164 HydrophobicContact CB-CD1 4.01Å; F8-F164 WeakPolarHBondContact CB-O 3.37Å; F8-F164 HydrophobicContact CG-CD1 4.41Å; Y9-F164 CarbonylContact C-O 3.09Å; F35-F164 HydrophobicContact CB-CZ 4.17Å; F35-F164 HydrophobicContact CD2-CE2 4.39Å; F35-F164 HydrophobicContact CD2-CZ 4.17Å; T37-F164 HydrophobicContact CG2-CE2 3.76Å; T37-F164 HydrophobicContact CG2-CZ 4.07Å; L43-F164 VanDerWaalsContact O-CB 3.3Å; L43-F164 WeakPolarHBondContact O-CB 3.46Å; L44-F164 HydrophobicContact CD2-CD1 4.19Å; L44-F164 HydrophobicContact CD2-CD2 3.66Å; L44-F164 HydrophobicContact CD2-CE1 3.97Å; L44-F164 HydrophobicContact CD2-CE2 3.4Å; L44-F164 VanDerWaalsContact CD2-CE2 3.4Å; L44-F164 HydrophobicContact CD2-CG 4.05Å; L44-F164 HydrophobicContact CD2-CZ 3.57Å; L44-F164 HydrophobicContact CG-CD2 4.28Å; L44-F164 HydrophobicContact CG-CE2 4.26Å; V69-F164 HydrophobicContact CG2-CE2 4.15Å; G147-F164 WeakPolarHBondContact O-CB 3.43Å; G147-F164 PolarHBondContact O-N 3.39Å; F164-I168 HydrophobicContact CD1-CD1 3.77Å; F164-I168 HydrophobicContact CD1-CG1 3.86Å; F164-I168 HydrophobicContact CE1-CD1 4.05Å; F164-I168 HydrophobicContact CE1-CG1 3.63Å; F164-I168 HydrophobicContact CG-CD1 4.47Å
165N94.8Very high90.7Very high19 Ų1937.5 Ų37.510%0.10222%0.218CC..  trans-123.3114.8171.6-173.3-11.8000108.4F8 P10 T37 Y39F8-N165 PolarHBondContact O-OD1 2.88Å; P10-N165 HydrophobicContact CG-CB 4.29Å; T37-N165 WeakPolarHBondContact CB-O 2.93Å; T37-N165 PolarHBondContact OG1-O 2.84Å; Y39-N165 HydrophobicContact CD2-CB 3.6Å; Y39-N165 WeakPolarHBondContact CD2-O 3.37Å; Y39-N165 HydrophobicContact CE2-CB 3.74Å; Y39-N165 WeakPolarHBondContact CE2-ND2 3.4Å; Y39-N165 WeakPolarHBondContact CE2-OD1 3.29Å; Y39-N165 HydrophobicContact CG-CB 4.04Å; Y39-N165 PolarHBondContact OH-ND2 3.42Å; Y39-N165 VanDerWaalsContact OH-ND2 3.08Å
166G95.1Very high90Very high2 Ų239.2 Ų39.22%0.02123%0.225CC..EExtended strand (participates in β ladder)trans154.4-155.2-169.900000112.1R7 F8 R36R7-G166 CarbonylContact C-O 3.59Å; R7-G166 WeakPolarHBondContact CA-O 3.48Å; R7-G166 WeakPolarHBondContact CD-O 3.49Å; F8-G166 PolarHBondContact N-O 2.84Å; F8-G166 PolarHBondContact O-N 2.91Å; F8-G166 VanDerWaalsContact O-N 3.14Å; R36-G166 CarbonylContact O-C 3.53Å; R36-G166 WeakPolarHBondContact O-CA 3.14Å
167Q94.6Very high89.7Confident13 Ų1339.8 Ų39.86%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-123.4142.1178.9-63.2175.8-28.600109.8V6 F35 R36 W98 A194V6-Q167 WeakPolarHBondContact O-CA 3.43Å; F35-Q167 CarbonylContact C-O 3.21Å; F35-Q167 WeakPolarHBondContact CA-O 3.41Å; R36-Q167 VanDerWaalsContact CZ-OE1 3.3Å; R36-Q167 PolarHBondContact N-O 3.25Å; R36-Q167 PolarHBondContact O-N 2.93Å; W98-Q167 HydrophobicContact CH2-CB 3.7Å; W98-Q167 HydrophobicContact CZ2-CB 4.15Å; W98-Q167 HydrophobicContact CZ3-CB 4.43Å; Q167-A194 HydrophobicContact CB-CB 4.12Å; Q167-A194 HydrophobicContact CG-CB 3.75Å
168I94.3Very high89.3Confident0 Ų033 Ų330%020%0.2CC..EExtended strand (participates in β ladder)trans-129.2136.7172.9-54.9176.4000109.4G5 V6 F8 L33 F34 F35 L44 I146 F164 L180G5-I168 WeakPolarHBondContact CA-O 3.47Å; V6-I168 PolarHBondContact N-O 2.79Å; V6-I168 PolarHBondContact O-N 2.82Å; F8-I168 HydrophobicContact CD2-CB 4.13Å; F8-I168 HydrophobicContact CD2-CD1 3.88Å; F8-I168 HydrophobicContact CD2-CG1 3.86Å; F8-I168 HydrophobicContact CE2-CB 3.72Å; F8-I168 HydrophobicContact CE2-CD1 3.73Å; F8-I168 HydrophobicContact CE2-CG1 3.85Å; F8-I168 HydrophobicContact CZ-CD1 4.23Å; L33-I168 HydrophobicContact CB-CG2 4.25Å; L33-I168 HydrophobicContact CD1-CG2 4.27Å; L33-I168 HydrophobicContact CD2-CG2 4.36Å; F34-I168 CarbonylContact O-C 3.52Å; F34-I168 VanDerWaalsContact O-CA 3.28Å; F34-I168 WeakPolarHBondContact O-CA 3.46Å; F35-I168 HydrophobicContact CB-CG1 4.34Å; L44-I168 HydrophobicContact CD2-CD1 3.96Å; L44-I168 HydrophobicContact CD2-CG1 4.22Å; I146-I168 HydrophobicContact CG2-CD1 3.84Å; I146-I168 HydrophobicContact CG2-CG2 4.25Å; F164-I168 HydrophobicContact CD1-CD1 3.77Å; F164-I168 HydrophobicContact CD1-CG1 3.86Å; F164-I168 HydrophobicContact CE1-CD1 4.05Å; F164-I168 HydrophobicContact CE1-CG1 3.63Å; F164-I168 HydrophobicContact CG-CD1 4.47Å; I168-L180 HydrophobicContact CB-CD1 4.4Å; I168-L180 HydrophobicContact CG2-CD1 4.08Å; I168-L180 WeakPolarHBondContact O-CD1 3.48Å
169E91.3Very high88.8Confident6 Ų631.7 Ų31.73%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-138.3159.7179.6-89.8-176.6-174.900112.9G5 F34 W98 L171 E196 R197G5-E169 WeakPolarHBondContact CA-OE1 3.5Å; G5-E169 PolarHBondContact N-OE1 3.45Å; F34-E169 HydrophobicContact CB-CB 4.15Å; F34-E169 PolarHBondContact N-O 2.79Å; F34-E169 PolarHBondContact O-N 3Å; W98-E169 HydrophobicContact CH2-CB 4.14Å; W98-E169 HydrophobicContact CH2-CG 4.03Å; W98-E169 HydrophobicContact CZ3-CB 4.13Å; E169-L171 PolarHBondContact O-N 2.95Å; E169-E196 VanDerWaalsContact OE1-CA 3.32Å; E169-E196 WeakPolarHBondContact OE1-CA 3.22Å; E169-R197 WeakPolarHBondContact OE2-CG 3.25Å; E169-R197 PolarHBondContact OE2-N 3.33Å
170G87.5Confident88.4Confident41 Ų4131.7 Ų31.742%0.42320%0.195SC..EExtended strand (participates in β ladder)trans58.141.4162.500000115.2V172G170-V172 PolarHBondContact O-N 3.02Å
171L90.8Very high87.9Confident2 Ų230.6 Ų30.61%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-60.7122173.7-179.667.7000110L16 I31 S32 L33 I146 E169 K178 L180L16-L171 HydrophobicContact CD1-CD2 3.32Å; I31-L171 HydrophobicContact CD1-CD1 4.02Å; I31-L171 HydrophobicContact CG1-CD1 3.87Å; S32-L171 CarbonylContact O-C 3.45Å; S32-L171 WeakPolarHBondContact O-CA 3.37Å; L33-L171 HydrophobicContact CB-CD1 4.12Å; L33-L171 HydrophobicContact CD2-CD1 4.29Å; I146-L171 HydrophobicContact CD1-CD1 4.3Å; I146-L171 HydrophobicContact CD1-CD2 3.59Å; I146-L171 HydrophobicContact CG1-CD2 4.02Å; E169-L171 PolarHBondContact O-N 2.95Å; L171-K178 HydrophobicContact CB-CB 4.31Å; L171-K178 HydrophobicContact CD2-CB 3.78Å; L171-K178 HydrophobicContact CD2-CG 4.37Å; L171-K178 HydrophobicContact CG-CB 3.98Å; L171-K178 HydrophobicContact CG-CG 4.46Å; L171-K178 PolarHBondContact O-N 3.1Å; L171-L180 HydrophobicContact CB-CD2 3.86Å; L171-L180 HydrophobicContact CB-CG 4.47Å; L171-L180 HydrophobicContact CD2-CD2 3.91Å
172V88.5Confident87.1Confident37 Ų3733.2 Ų33.222%0.22419%0.194CC..EExtended strand (participates in β ladder)trans-123.3138.2175.3178.20000108.4I31 S32 G170I31-V172 WeakPolarHBondContact CA-O 3.39Å; S32-V172 PolarHBondContact N-O 2.85Å; S32-V172 PolarHBondContact O-N 2.9Å; G170-V172 PolarHBondContact O-N 3.02Å
173L87.5Confident86.1Confident4 Ų434.2 Ų34.22%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-138.1111-177.7-176.355.2000109.4L21 D30 I31 L144 G175 E176 K178L21-L173 HydrophobicContact CD1-CD1 3.93Å; L21-L173 HydrophobicContact CD1-CD2 3.14Å; L21-L173 HydrophobicContact CD1-CG 3.36Å; L21-L173 HydrophobicContact CD2-CD2 3.48Å; L21-L173 VanDerWaalsContact CD2-CD2 3.48Å; L21-L173 HydrophobicContact CG-CD2 3.89Å; D30-L173 CarbonylContact O-C 3.56Å; D30-L173 WeakPolarHBondContact O-CA 3.04Å; D30-L173 WeakPolarHBondContact O-CD1 3.35Å; I31-L173 HydrophobicContact CB-CD1 3.84Å; I31-L173 HydrophobicContact CD1-CD1 4.17Å; I31-L173 HydrophobicContact CG1-CD1 4.05Å; L144-L173 HydrophobicContact CD2-CD2 4.12Å; L173-G175 VanDerWaalsContact C-N 3.35Å; L173-G175 PolarHBondContact O-N 3.39Å; L173-E176 PolarHBondContact N-O 3.37Å; L173-E176 WeakPolarHBondContact O-CB 3.15Å; L173-E176 PolarHBondContact O-N 3.26Å; L173-E176 VanDerWaalsContact O-N 3.1Å; L173-K178 HydrophobicContact CB-CG 4Å; L173-K178 HydrophobicContact CD2-CG 4.48Å
174H84Confident84.9Confident41 Ų4133.1 Ų33.119%0.1919%0.193CC..THydrogen-bonded Turntrans5052.2-170.2-69.3-85.9000112.5K24 V25 Q28 D30 E176K24-H174 PolarHBondContact O-CE1 3.24Å; V25-H174 WeakPolarHBondContact CG1-NE2 3.41Å; Q28-H174 PolarHBondContact O-CE1 3Å; Q28-H174 PolarHBondContact O-NE2 2.8Å; D30-H174 PolarHBondContact N-CE1 3.19Å; D30-H174 PolarHBondContact O-N 2.98Å; H174-E176 PolarHBondContact O-N 2.86Å
175G78.1Confident83.3Confident47 Ų4739.7 Ų39.749%0.48523%0.228SC..THydrogen-bonded Turntrans70.4-9.6-177.300000115.8L173 P177L173-G175 VanDerWaalsContact C-N 3.35Å; L173-G175 PolarHBondContact O-N 3.39Å; G175-P177 WeakPolarHBondContact O-CD 3.15Å
176E78.1Confident81.6Confident73 Ų7340.1 Ų40.134%0.34123%0.23SC..EExtended strand (participates in β ladder)trans-89.9116.6178.6-66.9-65.6148.600110.7L173 H174 K178 H210L173-E176 PolarHBondContact N-O 3.37Å; L173-E176 WeakPolarHBondContact O-CB 3.15Å; L173-E176 PolarHBondContact O-N 3.26Å; L173-E176 VanDerWaalsContact O-N 3.1Å; H174-E176 PolarHBondContact O-N 2.86Å; E176-K178 PolarHBondContact O-N 2.96Å; E176-H210 IonicContact OE2-CE1 2.9Å
177P83.1Confident79.8Confident42 Ų4240.9 Ų40.927%0.27324%0.237SC..EExtended strand (participates in β ladder)trans-60.8136.9172.6-23.636.5000110.9M1 G175M1-P177 HydrophobicContact CE-CB 3.55Å; M1-P177 WeakPolarHBondContact CE-O 3.18Å; M1-P177 HydrophobicContact SD-CB 3.36Å; M1-P177 WeakPolarHBondContact SD-CB 3.29Å; G175-P177 WeakPolarHBondContact O-CD 3.15Å
178K83.6Confident78.1Confident64 Ų6448.6 Ų48.628%0.27827%0.266SS..  trans-112.7118.4176.7-61.8-58-179-175.80109.4L16 L171 L173 E176 L180L16-K178 HydrophobicContact CD1-CB 4.41Å; L171-K178 HydrophobicContact CB-CB 4.31Å; L171-K178 HydrophobicContact CD2-CB 3.78Å; L171-K178 HydrophobicContact CD2-CG 4.37Å; L171-K178 HydrophobicContact CG-CB 3.98Å; L171-K178 HydrophobicContact CG-CG 4.46Å; L171-K178 PolarHBondContact O-N 3.1Å; L173-K178 HydrophobicContact CB-CG 4Å; L173-K178 HydrophobicContact CD2-CG 4.48Å; E176-K178 PolarHBondContact O-N 2.96Å; K178-L180 PolarHBondContact O-N 2.91Å
179G80.9Confident76.6Confident18 Ų1852.7 Ų52.719%0.18629%0.288CS..  trans-70.5113.4177.700000109.8W181 N182G179-W181 PolarHBondContact O-N 2.9Å; G179-N182 WeakPolarHBondContact O-CB 3.18Å; G179-N182 PolarHBondContact O-N 2.94Å
180L83.4Confident75.5Confident8 Ų852.8 Ų52.84%0.04229%0.289CS..THydrogen-bonded Turntrans-60.8-29.3176.1-63.2179.1000111.7V6 L14 L16 I146 I168 L171 K178 N182 F183V6-L180 HydrophobicContact CG2-CB 3.66Å; V6-L180 HydrophobicContact CG2-CD1 4.11Å; L14-L180 HydrophobicContact CD1-CB 4.15Å; L14-L180 WeakPolarHBondContact CD1-O 3.42Å; L16-L180 HydrophobicContact CD1-CD2 4.25Å; I146-L180 HydrophobicContact CB-CD2 4.48Å; I146-L180 HydrophobicContact CG1-CD2 4.19Å; I146-L180 HydrophobicContact CG2-CD2 4.03Å; I168-L180 HydrophobicContact CB-CD1 4.4Å; I168-L180 HydrophobicContact CG2-CD1 4.08Å; I168-L180 WeakPolarHBondContact O-CD1 3.48Å; L171-L180 HydrophobicContact CB-CD2 3.86Å; L171-L180 HydrophobicContact CB-CG 4.47Å; L171-L180 HydrophobicContact CD2-CD2 3.91Å; K178-L180 PolarHBondContact O-N 2.91Å; L180-N182 PolarHBondContact O-N 2.88Å; L180-F183 WeakPolarHBondContact O-CD1 3.36Å
181W79.2Confident74.4Confident78 Ų7856.9 Ų56.930%0.29531%0.305SS..THydrogen-bonded Turntrans-78.70.1174.5-6296.5000114.7V2 L4 V6 G179V2-W181 HydrophobicContact CG1-CG 4.44Å; L4-W181 HydrophobicContact CD2-CZ2 3.87Å; L4-W181 HydrophobicContact CG-CZ2 4.44Å; L4-W181 PolarHBondContact O-NE1 3.37Å; V6-W181 HydrophobicContact CG2-CD2 4.32Å; V6-W181 HydrophobicContact CG2-CZ2 3.82Å; G179-W181 PolarHBondContact O-N 2.9Å
182N74Confident73.4Confident109 Ų10959 Ų5958%0.58332%0.321SS*.  trans-109.664.1176.8-172.534.9000110.4G179 L180G179-N182 WeakPolarHBondContact O-CB 3.18Å; G179-N182 PolarHBondContact O-N 2.94Å; L180-N182 PolarHBondContact O-N 2.88Å
183F71.3Confident72.6Confident67 Ų6759 Ų5929%0.29433%0.328SS..BIsolated β-bridgetrans-95.4156.1-176.652.6-97.5000112.3L14 E15 L16 L180L14-F183 HydrophobicContact CD2-CB 4.42Å; L14-F183 HydrophobicContact CD2-CD1 3.76Å; L14-F183 HydrophobicContact CD2-CE1 4.2Å; L14-F183 HydrophobicContact CD2-CG 4.11Å; E15-F183 CarbonylContact O-C 3.53Å; E15-F183 WeakPolarHBondContact O-CA 3.43Å; E15-F183 VanDerWaalsContact O-CB 3.28Å; E15-F183 WeakPolarHBondContact O-CB 3.34Å; L16-F183 HydrophobicContact CD2-CB 4.06Å; L180-F183 WeakPolarHBondContact O-CD1 3.36Å
184A66.7Low72Confident24 Ų2458.9 Ų58.920%0.19833%0.327CS..SBendtrans-85.2-34.4-168.500000114.8E15 Y17E15-A184 PolarHBondContact O-N 2.65Å; Y17-A184 HydrophobicContact CD1-CB 3.77Å; Y17-A184 HydrophobicContact CD2-CB 4.29Å; Y17-A184 HydrophobicContact CE1-CB 3.62Å; Y17-A184 HydrophobicContact CE2-CB 4.17Å; Y17-A184 HydrophobicContact CG-CB 4.11Å
185L62.8Low71.6Confident139 Ų13961.7 Ų61.773%0.72835%0.349SS*.SBendtrans-145.7-42.5-170.5-134.397.2000114.5
186D58.5Low71.5Confident28 Ų2863.6 Ų63.615%0.1535%0.346CS..  trans-137.973.3-157.8-14528.9000114.1T13 R188T13-D186 CarbonylContact C-O 3.6Å; D186-R188 PolarHBondContact O-N 2.77Å; D186-R188 VanDerWaalsContact O-N 3.15Å; D186-R188 WeakPolarHBondContact OD1-CD 3.43Å; D186-R188 WeakPolarHBondContact OD1-CG 3.37Å; D186-R188 IonicContact OD1-CZ 2.61Å; D186-R188 IonicContact OD1-NE 3.85Å; D186-R188 PolarHBondContact OD1-NE 2.83Å; D186-R188 IonicContact OD2-NE 3.73Å
187G58.7Low71.8Confident17 Ų1761.3 Ų61.318%0.17533%0.334CS..  trans-76.525.9165.100000113.6N189 N190G187-N189 PolarHBondContact O-N 2.83Å; G187-N190 PolarHBondContact O-N 3.42Å; G187-N190 VanDerWaalsContact O-N 3.09Å
188R58.4Low71.6Confident175 Ų17570.2 Ų70.266%0.6636%0.362SS*.THydrogen-bonded Turntrans-54.9129.7-176.4-86175.8-154.4-164.61.6109.6D186 N190D186-R188 PolarHBondContact O-N 2.77Å; D186-R188 VanDerWaalsContact O-N 3.15Å; D186-R188 WeakPolarHBondContact OD1-CD 3.43Å; D186-R188 WeakPolarHBondContact OD1-CG 3.37Å; D186-R188 IonicContact OD1-CZ 2.61Å; D186-R188 IonicContact OD1-NE 3.85Å; D186-R188 PolarHBondContact OD1-NE 2.83Å; D186-R188 IonicContact OD2-NE 3.73Å; R188-N190 PolarHBondContact O-N 2.76Å; R188-N190 VanDerWaalsContact O-N 3.14Å
189N63Low71.4Confident86 Ų8669.8 Ų69.846%0.4636%0.361SS..THydrogen-bonded Turntrans64.28.5178.8-48.8-46.2000116N11 G187N11-N189 PolarHBondContact ND2-ND2 2.86Å; N11-N189 PolarHBondContact O-ND2 3.43Å; G187-N189 PolarHBondContact O-N 2.83Å
190N67.2Low71.2Confident8 Ų870.4 Ų70.44%0.04336%0.36CS..  trans-108.977.4172.6-86.7-13.2000111.1V6 R7 F8 S12 L14 G187 R188V6-N190 HydrophobicContact CG1-CB 4.23Å; R7-N190 PolarHBondContact O-OD1 3.25Å; F8-N190 WeakPolarHBondContact CD1-ND2 3.23Å; F8-N190 WeakPolarHBondContact CE1-ND2 3.29Å; S12-N190 WeakPolarHBondContact CB-ND2 3.5Å; S12-N190 WeakPolarHBondContact CB-OD1 3.39Å; S12-N190 PolarHBondContact OG-ND2 2.69Å; S12-N190 PolarHBondContact OG-OD1 3.06Å; L14-N190 HydrophobicContact CD2-CB 4.45Å; G187-N190 PolarHBondContact O-N 3.42Å; G187-N190 VanDerWaalsContact O-N 3.09Å; R188-N190 PolarHBondContact O-N 2.76Å; R188-N190 VanDerWaalsContact O-N 3.14Å
191T64.3Low70.5Confident127 Ų12772.9 Ų72.978%0.77937%0.371SS*.  trans-101.5-7.8175.655.40000113.3
192S70.1Confident69.4Low48 Ų4872.3 Ų72.334%0.33638%0.379SS..  trans-107.5122.6-173.4-60.80000111.5R7R7-S192 PolarHBondContact N-O 3.27Å
193G72.2Confident68.1Low36 Ų3676.3 Ų76.337%0.37139%0.394SS..EExtended strand (participates in β ladder)trans-68.4153.9166.100000112.3
194A75.3Confident67Low1 Ų175.2 Ų75.21%0.00840%0.398CS..EExtended strand (participates in β ladder)trans-95.8142.8163.300000108.9L4 G5 Q167L4-A194 WeakPolarHBondContact CD1-O 3.23Å; G5-A194 PolarHBondContact O-N 3.02Å; Q167-A194 HydrophobicContact CB-CB 4.12Å; Q167-A194 HydrophobicContact CG-CB 3.75Å
195P75.2Confident66.3Low100 Ų10075.9 Ų75.965%0.64940%0.401SS*.PPolyproline II helixtrans-56.7138.8166.8-20.631.9000110.2R197P195-R197 PolarHBondContact O-N 2.81Å
196E76.1Confident65.9Low88 Ų8873.7 Ų73.741%0.41139%0.39SS..PPolyproline II helixtrans-52.4135.3175.6-170.7174.1-175.200110E169E169-E196 VanDerWaalsContact OE1-CA 3.32Å; E169-E196 WeakPolarHBondContact OE1-CA 3.22Å
197R83.9Confident66.3Low25 Ų2580.2 Ų80.29%0.09442%0.424CS..PPolyproline II helixtrans-53147.2173.565.3174.8178.551.414.1110.5W98 E169 P195 E199 L200 H201W98-R197 HydrophobicContact CD2-CB 3.69Å; W98-R197 VanDerWaalsContact CE2-CB 3.45Å; W98-R197 HydrophobicContact CE3-CB 4.32Å; W98-R197 HydrophobicContact CG-CB 3.94Å; W98-R197 HydrophobicContact CH2-CB 4.44Å; W98-R197 HydrophobicContact CZ2-CB 3.86Å; E169-R197 WeakPolarHBondContact OE2-CG 3.25Å; E169-R197 PolarHBondContact OE2-N 3.33Å; P195-R197 PolarHBondContact O-N 2.81Å; R197-E199 VanDerWaalsContact CD-O 3.3Å; R197-E199 WeakPolarHBondContact CD-O 3.42Å; R197-E199 PolarHBondContact NH1-O 3.02Å; R197-L200 PolarHBondContact NH1-O 2.8Å; R197-H201 PolarHBondContact NH1-CD2 3.27Å; R197-H201 PolarHBondContact NH1-CE1 2.85Å; R197-H201 VanDerWaalsContact NH1-CE1 3.26Å; R197-H201 VanDerWaalsContact NH1-CG 3.26Å; R197-H201 PolarHBondContact NH1-ND1 3Å; R197-H201 VanDerWaalsContact NH1-ND1 3.12Å; R197-H201 PolarHBondContact NH1-NE2 3.14Å; R197-H201 PolarHBondContact O-CE1 2.64Å; R197-H201 PolarHBondContact O-NE2 3.08Å; R197-H201 VanDerWaalsContact O-NE2 3.07Å
198R79.3Confident66.9Low228 Ų22882 Ų8286%0.8644%0.442SS*.SBendtrans-106.10.9171.8-64-176.8-178.5174.3-0.2113.2H201R198-H201 WeakPolarHBondContact CA-NE2 3.31Å; R198-H201 PolarHBondContact O-CD2 3.01Å
199E78.3Confident68.1Low56 Ų5679.3 Ų79.326%0.26244%0.44SS..SBendtrans-114.6160.5-175-58.8171.8-147.200108.9W98 E117 R197 H201W98-E199 HydrophobicContact CB-CB 4.22Å; E117-E199 HydrophobicContact CB-CB 4.39Å; E117-E199 WeakPolarHBondContact OE2-CA 3.17Å; E117-E199 WeakPolarHBondContact OE2-CB 3.37Å; E117-E199 WeakPolarHBondContact OE2-CG 3.29Å; R197-E199 VanDerWaalsContact CD-O 3.3Å; R197-E199 WeakPolarHBondContact CD-O 3.42Å; R197-E199 PolarHBondContact NH1-O 3.02Å; E199-H201 PolarHBondContact O-N 3.41Å
200L77.5Confident69.1Low31 Ų3180.7 Ų80.716%0.16244%0.443CS..  trans58.331.6174.5-60.1170.6000114.1F34 W98 K100 E117 R197 S202F34-L200 HydrophobicContact CD1-CB 4.21Å; F34-L200 HydrophobicContact CD1-CD1 3.94Å; F34-L200 HydrophobicContact CE1-CB 3.76Å; F34-L200 HydrophobicContact CE1-CD1 4.12Å; W98-L200 HydrophobicContact CB-CD1 4.35Å; W98-L200 WeakPolarHBondContact O-CD1 3.14Å; K100-L200 HydrophobicContact CB-CD1 4.19Å; E117-L200 HydrophobicContact CB-CD2 4.07Å; E117-L200 HydrophobicContact CB-CG 4.31Å; E117-L200 PolarHBondContact OE1-N 2.92Å; R197-L200 PolarHBondContact NH1-O 2.8Å; L200-S202 PolarHBondContact O-N 3.49Å
201H69.3Low70.1Confident60 Ų6083.9 Ų83.928%0.27846%0.46SS..  trans-69.8119.6169.7-68.9-85.6000109.2R197 R198 E199 L206R197-H201 PolarHBondContact NH1-CD2 3.27Å; R197-H201 PolarHBondContact NH1-CE1 2.85Å; R197-H201 VanDerWaalsContact NH1-CE1 3.26Å; R197-H201 VanDerWaalsContact NH1-CG 3.26Å; R197-H201 PolarHBondContact NH1-ND1 3Å; R197-H201 VanDerWaalsContact NH1-ND1 3.12Å; R197-H201 PolarHBondContact NH1-NE2 3.14Å; R197-H201 PolarHBondContact O-CE1 2.64Å; R197-H201 PolarHBondContact O-NE2 3.08Å; R197-H201 VanDerWaalsContact O-NE2 3.07Å; R198-H201 WeakPolarHBondContact CA-NE2 3.31Å; R198-H201 PolarHBondContact O-CD2 3.01Å; E199-H201 PolarHBondContact O-N 3.41Å; H201-L206 HydrophobicContact CB-CD1 3.81Å; H201-L206 HydrophobicContact CB-CG 4.35Å
202S56.1Low71Confident66 Ų6682.6 Ų82.646%0.46245%0.448SS..  trans-70.2133.9161.167.30000107.9L200 A204 S205L200-S202 PolarHBondContact O-N 3.49Å; S202-A204 PolarHBondContact O-N 3.48Å; S202-S205 PolarHBondContact O-N 2.89Å; S202-S205 PolarHBondContact O-OG 3.31Å; S202-S205 WeakPolarHBondContact OG-CB 3.44Å; S202-S205 PolarHBondContact OG-N 2.93Å; S202-S205 PolarHBondContact OG-OG 2.67Å
203E45.9Very low71.8Confident192 Ų19283.7 Ų83.790%0.89747%0.467SS*.G310 helixtrans-50.6-30.5174.8-67.1-176.2156.100111.5S205E203-S205 VanDerWaalsContact C-N 3.35Å; E203-S205 PolarHBondContact O-N 2.87Å
204A48.9Very low72.5Confident44 Ų4491 Ų9136%0.36449%0.489SS..G310 helixtrans-65.2-23.9175.800000115.7S202 Y288S202-A204 PolarHBondContact O-N 3.48Å; A204-Y288 HydrophobicContact CB-CE2 3.63Å; A204-Y288 WeakPolarHBondContact CB-OH 3.36Å; A204-Y288 PolarHBondContact O-OH 3.13Å; A204-Y288 VanDerWaalsContact O-OH 3.11Å
205S52.2Low73.2Confident38 Ų3892.6 Ų92.627%0.26651%0.506SS..G310 helixtrans-96.5-12.2-169.569.50000115.6K3 S202 E203K3-S205 PolarHBondContact NZ-O 3.14Å; S202-S205 PolarHBondContact O-N 2.89Å; S202-S205 PolarHBondContact O-OG 3.31Å; S202-S205 WeakPolarHBondContact OG-CB 3.44Å; S202-S205 PolarHBondContact OG-N 2.93Å; S202-S205 PolarHBondContact OG-OG 2.67Å; E203-S205 VanDerWaalsContact C-N 3.35Å; E203-S205 PolarHBondContact O-N 2.87Å
206L53Low74.2Confident94 Ų9492.9 Ų92.949%0.49249%0.494SS..SBendtrans-79.3-34.5-169-83153.4000112.8H201H201-L206 HydrophobicContact CB-CD1 3.81Å; H201-L206 HydrophobicContact CB-CG 4.35Å
207N67.1Low75Confident164 Ų16490 Ų9088%0.87749%0.485SS*.SBendtrans-125.65.6-169.1-64.6-18.4000116.1
208G72.7Confident75.5Confident54 Ų5492.3 Ų92.356%0.55750%0.503SS*.  trans-100.9159.1-178.700000114.7
209I82.7Confident76.2Confident119 Ų11984.7 Ų84.761%0.6148%0.479SS*.  trans-107.3135.6167.762.2174.7000110.2L211 A217 V329I209-L211 HydrophobicContact CD1-CD1 4.46Å; I209-L211 HydrophobicContact CD1-CD2 4.06Å; I209-L211 HydrophobicContact CD1-CG 4.34Å; I209-L211 HydrophobicContact CG1-CG 4.35Å; I209-A217 HydrophobicContact CD1-CB 4.41Å; I209-V329 HydrophobicContact CD1-CG1 4.49Å
210H83.7Confident76.9Confident115 Ų11589 Ų8953%0.53250%0.498SS..  trans-90.5124.9171.8-179.1-103000110E176E176-H210 IonicContact OE2-CE1 2.9Å
211L87.7Confident77.6Confident76 Ų7689 Ų8940%0.39850%0.496SS..  trans-111.4113.1-179.2-63165.3000108.9I209 G213 V329 G330I209-L211 HydrophobicContact CD1-CD1 4.46Å; I209-L211 HydrophobicContact CD1-CD2 4.06Å; I209-L211 HydrophobicContact CD1-CG 4.34Å; I209-L211 HydrophobicContact CG1-CG 4.35Å; L211-G213 PolarHBondContact O-N 2.83Å; L211-V329 HydrophobicContact CD1-CG1 4.48Å; L211-G330 VanDerWaalsContact CD1-CA 3.5Å
212N83.5Confident78.6Confident99 Ų9992.8 Ų92.853%0.52952%0.518SS..  trans-83.311.5-175.668.31.2000114.3K214N212-K214 VanDerWaalsContact C-N 3.27Å; N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 WeakPolarHBondContact OD1-CB 3.46Å; N212-K214 PolarHBondContact OD1-N 3.27Å
213G87.3Confident80.2Confident71 Ų7198.5 Ų98.573%0.73254%0.54SS*.SBendtrans73.64.5-177.700000116.1L211L211-G213 PolarHBondContact O-N 2.83Å
214K87.1Confident82.4Confident189 Ų18993.1 Ų93.182%0.82251%0.511SS*.SBendtrans-105.31.3-179.1-60.5-173.3177.9-175.60114.7N212N212-K214 VanDerWaalsContact C-N 3.27Å; N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 WeakPolarHBondContact OD1-CB 3.46Å; N212-K214 PolarHBondContact OD1-N 3.27Å
215G90.6Very high84.6Confident35 Ų3595.3 Ų95.336%0.36152%0.517SS..  trans-159.6-163.8-174.400000111.9
216Y94.4Very high86.6Confident106 Ų10693.5 Ų93.542%0.41650%0.504SS..  trans-153.8163-175.452.3-94.3000109.9V218 Y328 V329 G331 P333Y216-V218 HydrophobicContact CD2-CG2 3.54Å; Y216-V218 HydrophobicContact CE2-CG2 3.39Å; Y216-Y328 AromaticContact CD2-CD1 3.82Å; Y216-Y328 HydrophobicContact CD2-CD1 3.82Å; Y216-Y328 HydrophobicContact CD2-CE1 4.22Å; Y216-Y328 HydrophobicContact CE2-CD1 4.2Å; Y216-Y328 HydrophobicContact CE2-CE1 4.12Å; Y216-Y328 HydrophobicContact CG-CD1 4.45Å; Y216-V329 WeakPolarHBondContact CA-O 3.49Å; Y216-G331 VanDerWaalsContact CB-C 3.4Å; Y216-G331 WeakPolarHBondContact CB-O 3.42Å; Y216-P333 HydrophobicContact CE1-CB 3.95Å; Y216-P333 HydrophobicContact CE1-CG 3.98Å; Y216-P333 HydrophobicContact CE2-CG 4.01Å; Y216-P333 WeakPolarHBondContact OH-CG 3.31Å
217A93.4Very high88.7Confident27 Ų2793.2 Ų93.222%0.22350%0.496CS..EExtended strand (participates in β ladder)trans-104.2138.1165.200000109.5I209 L219 Y328 V329I209-A217 HydrophobicContact CD1-CB 4.41Å; A217-L219 HydrophobicContact CB-CD1 4.03Å; A217-Y328 VanDerWaalsContact O-CA 3.31Å; A217-Y328 WeakPolarHBondContact O-CA 3.19Å; A217-V329 HydrophobicContact CB-CB 4.34Å; A217-V329 PolarHBondContact N-O 2.8Å; A217-V329 PolarHBondContact O-N 3.11Å
218V94.7Very high90.1Very high75 Ų7591.6 Ų91.646%0.45548%0.483SS..EExtended strand (participates in β ladder)trans-108.9126173.4-169.40000107.9Y216 T326 Y328Y216-V218 HydrophobicContact CD2-CG2 3.54Å; Y216-V218 HydrophobicContact CE2-CG2 3.39Å; V218-T326 HydrophobicContact CG1-CG2 3.88Å; V218-Y328 HydrophobicContact CB-CE1 4.43Å; V218-Y328 HydrophobicContact CG1-CE1 4.13Å; V218-Y328 HydrophobicContact CG2-CD1 3.83Å; V218-Y328 HydrophobicContact CG2-CE1 3.62Å
219L94.1Very high91.2Very high68 Ų6894.3 Ų94.336%0.35648%0.482SS..EExtended strand (participates in β ladder)trans-121.7139.5-179.4-6694.6000109.7A217 T326 F327 V329A217-L219 HydrophobicContact CB-CD1 4.03Å; L219-T326 CarbonylContact O-C 3.51Å; L219-T326 WeakPolarHBondContact O-CA 3.42Å; L219-T326 WeakPolarHBondContact O-CB 3.31Å; L219-F327 HydrophobicContact CB-CD1 4.08Å; L219-F327 HydrophobicContact CB-CD2 4.14Å; L219-F327 HydrophobicContact CB-CE1 3.56Å; L219-F327 HydrophobicContact CB-CE2 3.64Å; L219-F327 HydrophobicContact CB-CG 4.36Å; L219-F327 HydrophobicContact CB-CZ 3.33Å; L219-F327 HydrophobicContact CD1-CD2 4.3Å; L219-F327 HydrophobicContact CD1-CE2 3.83Å; L219-F327 HydrophobicContact CD1-CZ 4.33Å; L219-F327 HydrophobicContact CD2-CE2 4.02Å; L219-F327 HydrophobicContact CD2-CZ 3.81Å; L219-F327 HydrophobicContact CG-CE2 4.03Å; L219-F327 HydrophobicContact CG-CZ 4.01Å; L219-F327 PolarHBondContact N-O 2.92Å; L219-F327 PolarHBondContact O-N 2.79Å; L219-V329 HydrophobicContact CD1-CB 4.21Å; L219-V329 HydrophobicContact CD1-CG2 3.73Å
220Q93.9Very high91.9Very high145 Ų14589 Ų8968%0.67846%0.455SS*.EExtended strand (participates in β ladder)trans-76.3136.8171.5-69.3-176.1-7.700109.8L222Q220-L222 VanDerWaalsContact C-N 3.3Å; Q220-L222 HydrophobicContact CB-CD2 4.21Å; Q220-L222 HydrophobicContact CB-CG 4.37Å; Q220-L222 PolarHBondContact O-N 3.41Å
221R91.1Very high92.5Very high31 Ų3188 Ų8812%0.11745%0.453CS..  trans-71.6-25.3179.4179.8171.165.979.85.2112.9M223 W224 T324 D325R221-M223 PolarHBondContact O-N 2.95Å; R221-W224 WeakPolarHBondContact CD-O 3.39Å; R221-W224 HydrophobicContact CG-CB 4.09Å; R221-W224 HydrophobicContact CG-CD2 4.5Å; R221-W224 HydrophobicContact CG-CE3 4Å; R221-W224 WeakPolarHBondContact CG-O 3.2Å; R221-W224 PolarHBondContact NH1-O 3.44Å; R221-W224 WeakPolarHBondContact O-CB 3.41Å; R221-W224 PolarHBondContact O-N 2.85Å; R221-W224 VanDerWaalsContact O-N 3.07Å; R221-T324 PolarHBondContact NE-O 2.78Å; R221-D325 WeakPolarHBondContact CB-O 3.37Å; R221-D325 PolarHBondContact N-O 2.75Å; R221-D325 IonicContact NH2-OD1 3.22Å; R221-D325 PolarHBondContact NH2-OD1 2.82Å
222L90.3Very high92.9Very high140 Ų14085.5 Ų85.573%0.73344%0.44SS*.THydrogen-bonded Turntrans51.2-125.1-176.1-56.6175.2000110.8Q220Q220-L222 VanDerWaalsContact C-N 3.3Å; Q220-L222 HydrophobicContact CB-CD2 4.21Å; Q220-L222 HydrophobicContact CB-CG 4.37Å; Q220-L222 PolarHBondContact O-N 3.41Å
223M89.8Confident93.5Very high186 Ų18683.8 Ų83.892%0.91643%0.433SS*.THydrogen-bonded Turntrans-84-5.8-179.3-59.4-169.3-6400114.2R221 N225R221-M223 PolarHBondContact O-N 2.95Å; M223-N225 PolarHBondContact O-N 2.79Å
224W91.9Very high93.8Very high80 Ų8082.4 Ų82.430%0.30341%0.407SS..  trans-69.2122.3-178.1174.844.3000110.7R221 P226 V230 F246 I248 F327R221-W224 WeakPolarHBondContact CD-O 3.39Å; R221-W224 HydrophobicContact CG-CB 4.09Å; R221-W224 HydrophobicContact CG-CD2 4.5Å; R221-W224 HydrophobicContact CG-CE3 4Å; R221-W224 WeakPolarHBondContact CG-O 3.2Å; R221-W224 PolarHBondContact NH1-O 3.44Å; R221-W224 WeakPolarHBondContact O-CB 3.41Å; R221-W224 PolarHBondContact O-N 2.85Å; R221-W224 VanDerWaalsContact O-N 3.07Å; W224-P226 HydrophobicContact CD2-CB 4.5Å; W224-P226 HydrophobicContact CH2-CB 4.17Å; W224-P226 HydrophobicContact CZ2-CB 3.79Å; W224-P226 WeakPolarHBondContact O-CD 3.37Å; W224-V230 HydrophobicContact CZ2-CG1 4.22Å; W224-V230 HydrophobicContact CZ2-CG2 4.39Å; W224-F246 HydrophobicContact CH2-CE2 4.43Å; W224-F246 AromaticContact CH2-CZ 3.83Å; W224-F246 HydrophobicContact CH2-CZ 3.83Å; W224-F246 HydrophobicContact CZ3-CZ 4.19Å; W224-I248 HydrophobicContact CZ3-CD1 4.14Å; W224-F327 HydrophobicContact CE3-CD1 4.4Å; W224-F327 HydrophobicContact CE3-CE1 4.34Å; W224-F327 HydrophobicContact CZ3-CD1 4.06Å; W224-F327 HydrophobicContact CZ3-CE1 4.24Å; W224-F327 HydrophobicContact CZ3-CG 4.42Å
225N94.7Very high94.1Very high89 Ų8980.7 Ų80.748%0.47640%0.397SS..  trans-109.795-179.3-175.110.8000112.1M223 R227M223-N225 PolarHBondContact O-N 2.79Å; N225-R227 PolarHBondContact O-N 2.9Å; N225-R227 VanDerWaalsContact OD1-CB 3.23Å; N225-R227 WeakPolarHBondContact OD1-CB 3.37Å; N225-R227 VanDerWaalsContact OD1-CD 3.25Å; N225-R227 WeakPolarHBondContact OD1-CD 3.28Å; N225-R227 WeakPolarHBondContact OD1-CG 3.02Å; N225-R227 PolarHBondContact OD1-N 2.83Å
226P95.3Very high94.3Very high0 Ų080 Ų800%038%0.384CS..THydrogen-bonded Turntrans-858.5-176.736.2-38.6000113.1W224 Q229 V230 I248 R295 V323W224-P226 HydrophobicContact CD2-CB 4.5Å; W224-P226 HydrophobicContact CH2-CB 4.17Å; W224-P226 HydrophobicContact CZ2-CB 3.79Å; W224-P226 WeakPolarHBondContact O-CD 3.37Å; P226-Q229 WeakPolarHBondContact CA-O 3.42Å; P226-V230 HydrophobicContact CB-CG2 3.68Å; P226-I248 HydrophobicContact CB-CD1 4.43Å; P226-I248 HydrophobicContact CG-CD1 3.68Å; P226-R295 PolarHBondContact O-NH2 3.04Å; P226-V323 HydrophobicContact CG-CB 4.48Å; P226-V323 HydrophobicContact CG-CG1 3.96Å; P226-V323 HydrophobicContact CG-CG2 4.06Å
227R96.6Very high94.2Very high89 Ų8980.5 Ų80.534%0.33639%0.388SS..THydrogen-bonded Turntrans-69.9-37.8-170.1-74.3170.4171.1178.74.5113.7N225 R295 H320 L321 V323N225-R227 PolarHBondContact O-N 2.9Å; N225-R227 VanDerWaalsContact OD1-CB 3.23Å; N225-R227 WeakPolarHBondContact OD1-CB 3.37Å; N225-R227 VanDerWaalsContact OD1-CD 3.25Å; N225-R227 WeakPolarHBondContact OD1-CD 3.28Å; N225-R227 WeakPolarHBondContact OD1-CG 3.02Å; N225-R227 PolarHBondContact OD1-N 2.83Å; R227-R295 PolarHBondContact O-NH2 2.85Å; R227-H320 WeakPolarHBondContact CB-CE1 3.27Å; R227-H320 VanDerWaalsContact CD-NE2 3.27Å; R227-H320 WeakPolarHBondContact CD-NE2 3.03Å; R227-H320 WeakPolarHBondContact CG-NE2 3.4Å; R227-H320 WeakPolarHBondContact O-CA 3.28Å; R227-L321 WeakPolarHBondContact CG-O 3.29Å; R227-L321 PolarHBondContact O-N 3.1Å; R227-V323 HydrophobicContact CG-CG2 4.09Å
228E95.7Very high94.2Very high129 Ų12981 Ų8160%0.60339%0.389SS*.THydrogen-bonded Turntrans-110-36178.8-66.9-174.4178.500113R295 G297E228-R295 PolarHBondContact O-NH1 3.22Å; E228-R295 PolarHBondContact O-NH2 3.49Å; E228-G297 PolarHBondContact O-N 2.63Å
229Q97Very high94Very high111 Ų11185 Ų8552%0.51940%0.4SS..EExtended strand (participates in β ladder)trans-135.2148.7-178.7-67.8-178.7-800111.6P226 R295 E296P226-Q229 WeakPolarHBondContact CA-O 3.42Å; Q229-R295 CarbonylContact C-O 3.54Å; Q229-R295 WeakPolarHBondContact CA-O 3.35Å; Q229-E296 HydrophobicContact CG-CB 4.44Å; Q229-E296 HydrophobicContact CG-CG 4.24Å; Q229-E296 PolarHBondContact NE2-OE1 2.95Å
230V97.2Very high94.1Very high8 Ų883.9 Ų83.95%0.04840%0.401CS..EExtended strand (participates in β ladder)trans-136.7134.4173.9170.30000108.8W224 P226 L232 L255 K294 R295W224-V230 HydrophobicContact CZ2-CG1 4.22Å; W224-V230 HydrophobicContact CZ2-CG2 4.39Å; P226-V230 HydrophobicContact CB-CG2 3.68Å; V230-L232 HydrophobicContact CG1-CB 3.85Å; V230-L255 HydrophobicContact CB-CD1 4.43Å; V230-L255 HydrophobicContact CG1-CD1 4.43Å; V230-L255 HydrophobicContact CG2-CD1 4Å; V230-K294 CarbonylContact O-C 3.47Å; V230-K294 VanDerWaalsContact O-CA 3.23Å; V230-K294 WeakPolarHBondContact O-CA 3.41Å; V230-R295 HydrophobicContact CB-CB 3.98Å; V230-R295 PolarHBondContact N-O 3.07Å; V230-R295 PolarHBondContact O-N 3.48Å
231D96.4Very high94.2Very high94 Ų9480.1 Ų80.150%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-129.893.9160.6-165.2-9.1000107.3Q292 V293D231-Q292 PolarHBondContact OD1-NE2 3.33Å; D231-V293 WeakPolarHBondContact CA-O 3.43Å
232L95.9Very high94.4Very high24 Ų2484.3 Ų84.313%0.12641%0.411CS..EExtended strand (participates in β ladder)trans-105.5124.3-177.3171.968.1000108.7V230 F234 F246 V257 Q292 V293V230-L232 HydrophobicContact CG1-CB 3.85Å; L232-F234 HydrophobicContact CD1-CD1 4.34Å; L232-F234 HydrophobicContact CD2-CD1 4.16Å; L232-F234 HydrophobicContact CD2-CE1 4.04Å; L232-F234 HydrophobicContact CG-CD1 4Å; L232-F234 HydrophobicContact CG-CE1 4.32Å; L232-F246 HydrophobicContact CD1-CD2 4.25Å; L232-F246 HydrophobicContact CD1-CE2 4.1Å; L232-F246 HydrophobicContact CD2-CB 4.3Å; L232-F246 HydrophobicContact CD2-CD1 3.71Å; L232-F246 HydrophobicContact CD2-CD2 3.77Å; L232-F246 HydrophobicContact CD2-CE1 3.94Å; L232-F246 HydrophobicContact CD2-CE2 3.98Å; L232-F246 HydrophobicContact CD2-CG 3.64Å; L232-F246 HydrophobicContact CD2-CZ 4.08Å; L232-V257 HydrophobicContact CD2-CG2 4.39Å; L232-Q292 CarbonylContact O-C 3.5Å; L232-Q292 VanDerWaalsContact O-CA 3.3Å; L232-Q292 WeakPolarHBondContact O-CA 3.37Å; L232-V293 HydrophobicContact CB-CB 4.35Å; L232-V293 PolarHBondContact N-O 2.88Å; L232-V293 PolarHBondContact O-N 3.47Å
233V95.2Very high94.7Very high63 Ų6379.4 Ų79.438%0.38240%0.395SS..EExtended strand (participates in β ladder)trans-127.2129.8175.4-1780000109.4R290 V291 Q292V233-R290 HydrophobicContact CG1-CG 4.26Å; V233-V291 WeakPolarHBondContact CA-O 3.28Å; V233-Q292 HydrophobicContact CG2-CB 4.18Å; V233-Q292 HydrophobicContact CG2-CG 3.83Å
234F94.3Very high95Very high42 Ų4272.5 Ų72.518%0.18436%0.362CS..EExtended strand (participates in β ladder)trans-149.7165.4172.463.8-89000111.2L232 F236 M245 V257 V291L232-F234 HydrophobicContact CD1-CD1 4.34Å; L232-F234 HydrophobicContact CD2-CD1 4.16Å; L232-F234 HydrophobicContact CD2-CE1 4.04Å; L232-F234 HydrophobicContact CG-CD1 4Å; L232-F234 HydrophobicContact CG-CE1 4.32Å; F234-F236 HydrophobicContact CD2-CB 4.48Å; F234-F236 HydrophobicContact CE2-CB 4.38Å; F234-F236 HydrophobicContact CE2-CD1 4.38Å; F234-M245 HydrophobicContact CE2-CB 4.17Å; F234-M245 HydrophobicContact CE2-CE 4.18Å; F234-M245 HydrophobicContact CE2-SD 3.87Å; F234-M245 HydrophobicContact CZ-CB 4.18Å; F234-M245 HydrophobicContact CZ-CE 4.1Å; F234-M245 HydrophobicContact CZ-SD 4.33Å; F234-V257 HydrophobicContact CE1-CG1 4.46Å; F234-V257 HydrophobicContact CE1-CG2 4.49Å; F234-V257 HydrophobicContact CZ-CB 4.29Å; F234-V257 HydrophobicContact CZ-CG1 4Å; F234-V291 HydrophobicContact CD1-CB 4.37Å; F234-V291 HydrophobicContact CD2-CB 4.34Å; F234-V291 HydrophobicContact CE1-CB 3.93Å; F234-V291 HydrophobicContact CE1-CG1 3.83Å; F234-V291 HydrophobicContact CE2-CB 3.89Å; F234-V291 HydrophobicContact CE2-CG1 4.43Å; F234-V291 HydrophobicContact CE2-CG2 3.93Å; F234-V291 HydrophobicContact CZ-CB 3.68Å; F234-V291 HydrophobicContact CZ-CG1 3.72Å; F234-V291 HydrophobicContact CZ-CG2 4.02Å; F234-V291 PolarHBondContact N-O 3.09Å; F234-V291 PolarHBondContact O-N 2.68Å
235Y93.8Very high95.3Very high152 Ų15270 Ų7060%0.59635%0.353SS*.EExtended strand (participates in β ladder)trans-113.6141.6174.5-61.6-97.5000109.1H289 R290Y235-H289 VanDerWaalsContact CA-O 3.26Å; Y235-H289 WeakPolarHBondContact CA-O 3.35Å; Y235-R290 HydrophobicContact CD1-CB 3.82Å; Y235-R290 HydrophobicContact CD1-CG 4.24Å; Y235-R290 HydrophobicContact CE1-CB 3.55Å; Y235-R290 HydrophobicContact CE1-CG 3.73Å
236F94.5Very high95.4Very high21 Ų2166 Ų669%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-136.7158.5174.880.5-75.9000111.1F234 T238 M245 V259 V264 Y283 Y288 H289 V291F234-F236 HydrophobicContact CD2-CB 4.48Å; F234-F236 HydrophobicContact CE2-CB 4.38Å; F234-F236 HydrophobicContact CE2-CD1 4.38Å; F236-T238 HydrophobicContact CD2-CG2 3.9Å; F236-T238 HydrophobicContact CE2-CG2 3.79Å; F236-M245 HydrophobicContact CB-SD 3.97Å; F236-M245 HydrophobicContact CD1-SD 4.02Å; F236-M245 HydrophobicContact CD2-SD 3.7Å; F236-M245 HydrophobicContact CE1-SD 4.43Å; F236-M245 HydrophobicContact CE2-SD 4.14Å; F236-M245 HydrophobicContact CG-SD 3.61Å; F236-M245 HydrophobicContact CZ-SD 4.48Å; F236-V259 HydrophobicContact CD2-CG2 4.5Å; F236-V259 HydrophobicContact CE2-CG2 3.88Å; F236-V259 HydrophobicContact CZ-CG2 4.35Å; F236-V264 HydrophobicContact CE1-CG2 3.93Å; F236-V264 HydrophobicContact CZ-CG2 3.65Å; F236-Y283 VanDerWaalsContact CE2-O 3.25Å; F236-Y283 WeakPolarHBondContact CE2-O 3.28Å; F236-Y283 WeakPolarHBondContact CZ-O 3.28Å; F236-Y288 WeakPolarHBondContact O-CA 3.39Å; F236-H289 HydrophobicContact CD1-CB 4.11Å; F236-H289 HydrophobicContact CE1-CB 3.61Å; F236-H289 HydrophobicContact CZ-CB 4.12Å; F236-H289 PolarHBondContact N-O 2.61Å; F236-H289 PolarHBondContact O-N 2.88Å; F236-V291 HydrophobicContact CD1-CG2 3.54Å; F236-V291 HydrophobicContact CE1-CG2 3.4Å
237K91.8Very high95.5Very high117 Ų11766.6 Ų66.651%0.50933%0.334SS..  trans-143.8126174.4166.3170165.8139.60108G286 S287 Y288K237-G286 VanDerWaalsContact CD-O 3.25Å; K237-G286 WeakPolarHBondContact CD-O 3.22Å; K237-G286 WeakPolarHBondContact CE-O 3.42Å; K237-G286 WeakPolarHBondContact CG-O 3.48Å; K237-G286 PolarHBondContact NZ-O 3.23Å; K237-S287 WeakPolarHBondContact CA-O 3.19Å; K237-S287 WeakPolarHBondContact CB-O 3.49Å; K237-Y288 HydrophobicContact CB-CD1 3.9Å; K237-Y288 HydrophobicContact CB-CE1 3.97Å; K237-Y288 HydrophobicContact CB-CG 4.22Å; K237-Y288 HydrophobicContact CD-CD2 4.05Å; K237-Y288 HydrophobicContact CD-CE2 3.78Å
238T93.4Very high95.5Very high38 Ų3862.4 Ų62.423%0.23332%0.318CS..  trans-157.8154.1-178.3-168.20000112F236 A240 N284 G286F236-T238 HydrophobicContact CD2-CG2 3.9Å; F236-T238 HydrophobicContact CE2-CG2 3.79Å; T238-A240 WeakPolarHBondContact OG1-CB 3.31Å; T238-A240 PolarHBondContact OG1-N 3.09Å; T238-N284 HydrophobicContact CG2-CB 4.05Å; T238-N284 CarbonylContact O-C 3.41Å; T238-N284 WeakPolarHBondContact O-CA 3Å; T238-G286 PolarHBondContact O-N 2.79Å; T238-G286 VanDerWaalsContact O-N 3.12Å
239F92Very high95.5Very high157 Ų15756.6 Ų56.669%0.68929%0.293SS*.  trans-102.9-11.7161.8-68.2-73.7000112.2S241 N284 D285 G286F239-S241 PolarHBondContact O-N 3.42Å; F239-N284 PolarHBondContact O-ND2 3.18Å; F239-D285 VanDerWaalsContact CE1-O 3.29Å; F239-D285 WeakPolarHBondContact CE1-O 3.31Å; F239-G286 VanDerWaalsContact CE1-CA 3.48Å; F239-G286 VanDerWaalsContact CZ-CA 3.49Å
240A94.5Very high95.3Very high46 Ų4655.8 Ų55.838%0.3829%0.287SS..  trans-64.9132.9-177.400000110.5T238 E242 N284T238-A240 WeakPolarHBondContact OG1-CB 3.31Å; T238-A240 PolarHBondContact OG1-N 3.09Å; A240-E242 VanDerWaalsContact C-N 3.26Å; A240-E242 PolarHBondContact O-N 3.39Å; A240-N284 WeakPolarHBondContact O-CB 3.04Å
241S96.3Very high95Very high66 Ų6661.4 Ų61.446%0.46232%0.318SS..SBendtrans-74.1-19.7176.755.60000112.8F239 K260 R261 G262F239-S241 PolarHBondContact O-N 3.42Å; S241-K260 CarbonylContact O-C 3.53Å; S241-R261 CarbonylContact O-C 3.57Å; S241-R261 WeakPolarHBondContact O-CA 3.22Å; S241-R261 PolarHBondContact O-N 3.23Å; S241-G262 PolarHBondContact O-N 2.83Å
242E96.7Very high94.8Very high118 Ų11865.9 Ų65.955%0.55133%0.327SS*.EExtended strand (participates in β ladder)trans-140.5142.8-178.1-58.7-169.4165.400110.7A240 V259A240-E242 VanDerWaalsContact C-N 3.26Å; A240-E242 PolarHBondContact O-N 3.39Å; E242-V259 CarbonylContact C-O 3.56Å; E242-V259 VanDerWaalsContact CA-O 3.25Å; E242-V259 WeakPolarHBondContact CA-O 3.32Å
243G96Very high94.7Very high37 Ų3765.6 Ų65.638%0.38133%0.326SS..EExtended strand (participates in β ladder)trans171.1142.1174.900000113.7E258 V259G243-E258 CarbonylContact O-C 3.49Å; G243-E258 VanDerWaalsContact O-CA 3.26Å; G243-E258 WeakPolarHBondContact O-CA 3.09Å; G243-E258 WeakPolarHBondContact O-CB 3.37Å; G243-V259 PolarHBondContact N-O 3.5Å; G243-V259 PolarHBondContact O-N 3.3Å
244L96.9Very high94.8Very high42 Ų4263 Ų6322%0.2231%0.31CS..EExtended strand (participates in β ladder)trans-82.1124.1174.4-177.564.4000109.6Y247 A256 E258 G330 V332L244-Y247 HydrophobicContact CD2-CD2 4.46Å; L244-A256 HydrophobicContact CD1-CB 4.11Å; L244-E258 HydrophobicContact CD1-CB 4.35Å; L244-G330 CarbonylContact O-C 3.5Å; L244-G330 WeakPolarHBondContact O-CA 3.04Å; L244-V332 HydrophobicContact CD2-CB 4.36Å; L244-V332 HydrophobicContact CD2-CG1 3.81Å; L244-V332 HydrophobicContact CD2-CG2 3.85Å
245M97.3Very high95Very high26 Ų2661.1 Ų61.113%0.12830%0.302CS..EExtended strand (participates in β ladder)trans-98.7-43.4-178.6-64.6-171.2-71.300111.9F234 F236 V257 V259 V264 V329 G330F234-M245 HydrophobicContact CE2-CB 4.17Å; F234-M245 HydrophobicContact CE2-CE 4.18Å; F234-M245 HydrophobicContact CE2-SD 3.87Å; F234-M245 HydrophobicContact CZ-CB 4.18Å; F234-M245 HydrophobicContact CZ-CE 4.1Å; F234-M245 HydrophobicContact CZ-SD 4.33Å; F236-M245 HydrophobicContact CB-SD 3.97Å; F236-M245 HydrophobicContact CD1-SD 4.02Å; F236-M245 HydrophobicContact CD2-SD 3.7Å; F236-M245 HydrophobicContact CE1-SD 4.43Å; F236-M245 HydrophobicContact CE2-SD 4.14Å; F236-M245 HydrophobicContact CG-SD 3.61Å; F236-M245 HydrophobicContact CZ-SD 4.48Å; M245-V257 WeakPolarHBondContact CA-O 3.49Å; M245-V257 WeakPolarHBondContact CB-O 3.47Å; M245-V257 HydrophobicContact CE-CG1 3.87Å; M245-V257 PolarHBondContact N-O 3.01Å; M245-V259 HydrophobicContact CE-CG2 3.7Å; M245-V259 HydrophobicContact CG-CG2 4.46Å; M245-V259 HydrophobicContact SD-CG2 3.79Å; M245-V264 HydrophobicContact CE-CG1 3.99Å; M245-V264 HydrophobicContact CE-CG2 4.44Å; M245-V329 VanDerWaalsContact O-CA 3.31Å; M245-V329 WeakPolarHBondContact O-CA 3.1Å; M245-G330 PolarHBondContact O-N 2.99Å
246F97.6Very high95.2Very high7 Ų754.2 Ų54.23%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-142141.1-177.4178-87.8000110.2W224 L232 I248 L255 A256 V257 F327 Y328 V329W224-F246 HydrophobicContact CH2-CE2 4.43Å; W224-F246 AromaticContact CH2-CZ 3.83Å; W224-F246 HydrophobicContact CH2-CZ 3.83Å; W224-F246 HydrophobicContact CZ3-CZ 4.19Å; L232-F246 HydrophobicContact CD1-CD2 4.25Å; L232-F246 HydrophobicContact CD1-CE2 4.1Å; L232-F246 HydrophobicContact CD2-CB 4.3Å; L232-F246 HydrophobicContact CD2-CD1 3.71Å; L232-F246 HydrophobicContact CD2-CD2 3.77Å; L232-F246 HydrophobicContact CD2-CE1 3.94Å; L232-F246 HydrophobicContact CD2-CE2 3.98Å; L232-F246 HydrophobicContact CD2-CG 3.64Å; L232-F246 HydrophobicContact CD2-CZ 4.08Å; F246-I248 HydrophobicContact CE1-CB 3.98Å; F246-I248 HydrophobicContact CE1-CG2 3.59Å; F246-I248 HydrophobicContact CZ-CB 4.04Å; F246-I248 HydrophobicContact CZ-CG2 3.94Å; F246-L255 HydrophobicContact CD1-CD2 4Å; F246-L255 HydrophobicContact CE1-CD2 3.83Å; F246-A256 CarbonylContact O-C 3.51Å; F246-A256 VanDerWaalsContact O-CA 3.25Å; F246-A256 WeakPolarHBondContact O-CA 3.48Å; F246-V257 HydrophobicContact CB-CB 4.14Å; F246-V257 HydrophobicContact CB-CG2 4.2Å; F246-V257 HydrophobicContact CD1-CG2 4.39Å; F246-V257 PolarHBondContact N-O 3.09Å; F246-V257 PolarHBondContact O-N 3.09Å; F246-F327 HydrophobicContact CD2-CD2 4.13Å; F246-F327 HydrophobicContact CE2-CB 4.29Å; F246-F327 AromaticContact CE2-CD2 3.43Å; F246-F327 HydrophobicContact CE2-CD2 3.43Å; F246-F327 VanDerWaalsContact CE2-CD2 3.43Å; F246-F327 AromaticContact CE2-CE2 3.95Å; F246-F327 HydrophobicContact CE2-CE2 3.95Å; F246-F327 HydrophobicContact CE2-CG 4.06Å; F246-F327 HydrophobicContact CZ-CB 4.23Å; F246-F327 HydrophobicContact CZ-CD2 4.17Å; F246-F327 HydrophobicContact CZ-CG 4.36Å; F246-Y328 CarbonylContact C-O 3.55Å; F246-Y328 WeakPolarHBondContact CA-O 3.32Å; F246-V329 HydrophobicContact CD2-CG2 4.46Å
247Y97.4Very high95.3Very high12 Ų1253.2 Ų53.25%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-147130.7175.3-178.9-81.9000111.5L244 I254 A256 F327 Y328 V332 V336 L337L244-Y247 HydrophobicContact CD2-CD2 4.46Å; Y247-I254 HydrophobicContact CD2-CG2 4.1Å; Y247-I254 HydrophobicContact CE2-CD1 4.48Å; Y247-I254 HydrophobicContact CE2-CG2 3.6Å; Y247-A256 HydrophobicContact CD2-CB 3.99Å; Y247-F327 WeakPolarHBondContact O-CA 3.13Å; Y247-F327 WeakPolarHBondContact O-CB 3.48Å; Y247-Y328 HydrophobicContact CD1-CD2 4.04Å; Y247-Y328 PolarHBondContact N-O 2.93Å; Y247-Y328 PolarHBondContact O-N 3.14Å; Y247-V332 HydrophobicContact CD1-CG1 3.73Å; Y247-V332 HydrophobicContact CD2-CG1 4.26Å; Y247-V332 HydrophobicContact CE1-CG1 4.4Å; Y247-V332 HydrophobicContact CG-CG1 3.65Å; Y247-V336 HydrophobicContact CD1-CG1 4.13Å; Y247-V336 HydrophobicContact CE1-CG1 3.45Å; Y247-V336 VanDerWaalsContact CE1-CG1 3.45Å; Y247-V336 PolarHBondContact OH-O 3.47Å; Y247-L337 HydrophobicContact CE2-CD2 4.47Å
248I96.6Very high95.6Very high1 Ų149.6 Ų49.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-143.9143.2167.4-165.6176.1000109.3W224 P226 F246 L255 L321 V323 F327W224-I248 HydrophobicContact CZ3-CD1 4.14Å; P226-I248 HydrophobicContact CB-CD1 4.43Å; P226-I248 HydrophobicContact CG-CD1 3.68Å; F246-I248 HydrophobicContact CE1-CB 3.98Å; F246-I248 HydrophobicContact CE1-CG2 3.59Å; F246-I248 HydrophobicContact CZ-CB 4.04Å; F246-I248 HydrophobicContact CZ-CG2 3.94Å; I248-L255 HydrophobicContact CG2-CB 3.96Å; I248-L255 PolarHBondContact N-O 2.79Å; I248-L255 PolarHBondContact O-N 2.85Å; I248-L321 HydrophobicContact CG2-CD2 4.15Å; I248-V323 HydrophobicContact CD1-CB 4.18Å; I248-V323 HydrophobicContact CD1-CG1 3.92Å; I248-V323 HydrophobicContact CG1-CB 4.17Å; I248-V323 HydrophobicContact CG1-CG1 3.87Å; I248-F327 HydrophobicContact CB-CB 3.89Å; I248-F327 HydrophobicContact CD1-CB 4.02Å; I248-F327 HydrophobicContact CG1-CB 3.91Å
249G94.9Very high95.9Very high6 Ų648.1 Ų48.16%0.06225%0.247CC..EExtended strand (participates in β ladder)trans167175.2-178.700000112.9D253 E322G249-D253 CarbonylContact C-O 3.5Å; G249-D253 WeakPolarHBondContact CA-O 3.38Å; G249-E322 CarbonylContact C-O 3.51Å
250K93Very high96.1Very high94 Ų9444.3 Ų44.341%0.40923%0.231SC..EExtended strand (participates in β ladder)trans-148134.4173.4-175.7-174.2169-169.40108.8R252 D253 E322 T324K250-R252 PolarHBondContact O-N 3.02Å; K250-D253 PolarHBondContact N-O 2.93Å; K250-D253 WeakPolarHBondContact O-CB 3.45Å; K250-D253 PolarHBondContact O-N 2.81Å; K250-E322 HydrophobicContact CB-CB 4.18Å; K250-E322 PolarHBondContact N-O 3.07Å; K250-T324 HydrophobicContact CB-CG2 4.24Å; K250-T324 HydrophobicContact CG-CG2 4.3Å
251D89.8Confident96.3Very high127 Ų12750.7 Ų50.768%0.67925%0.245SC*.THydrogen-bonded Turntrans56-106-179.2-55.7-46.6000112.6
252R92Very high96.4Very high187 Ų18747.6 Ų47.671%0.70622%0.223SC*.THydrogen-bonded Turntrans-96.8-15.6179.4-60.3-179.1-174.9-176.61.2112.9K250 N269K250-R252 PolarHBondContact O-N 3.02Å; R252-N269 VanDerWaalsContact O-CG 3.27Å; R252-N269 PolarHBondContact O-ND2 2.75Å
253D95.8Very high96.4Very high18 Ų1844.1 Ų44.110%0.09621%0.207CC..EExtended strand (participates in β ladder)trans-82.3122.1-176.1-76.433.6000109G249 K250 N269 G271 L321 E322G249-D253 CarbonylContact C-O 3.5Å; G249-D253 WeakPolarHBondContact CA-O 3.38Å; K250-D253 PolarHBondContact N-O 2.93Å; K250-D253 WeakPolarHBondContact O-CB 3.45Å; K250-D253 PolarHBondContact O-N 2.81Å; D253-N269 CarbonylContact C-O 3.56Å; D253-N269 VanDerWaalsContact CA-O 3.28Å; D253-N269 WeakPolarHBondContact CA-O 3.3Å; D253-G271 WeakPolarHBondContact OD1-CA 3.44Å; D253-G271 PolarHBondContact OD1-N 3.47Å; D253-G271 VanDerWaalsContact OD1-N 3.13Å; D253-L321 HydrophobicContact CB-CD1 3.97Å; D253-E322 HydrophobicContact CB-CB 3.91Å; D253-E322 PolarHBondContact OD2-N 2.76Å
254I96.3Very high96.6Very high10 Ų1042.3 Ų42.35%0.05119%0.189CC..EExtended strand (participates in β ladder)trans-145131.5-170.3-55.4176000109.6Y247 A256 Y267 L268 N269 P338Y247-I254 HydrophobicContact CD2-CG2 4.1Å; Y247-I254 HydrophobicContact CE2-CD1 4.48Å; Y247-I254 HydrophobicContact CE2-CG2 3.6Å; I254-A256 HydrophobicContact CG2-CB 3.97Å; I254-Y267 HydrophobicContact CB-CD1 4.14Å; I254-Y267 HydrophobicContact CB-CE1 4.03Å; I254-Y267 HydrophobicContact CD1-CE1 4.17Å; I254-Y267 HydrophobicContact CG2-CD1 3.85Å; I254-Y267 HydrophobicContact CG2-CE1 4.17Å; I254-L268 CarbonylContact O-C 3.59Å; I254-L268 WeakPolarHBondContact O-CA 3.18Å; I254-N269 PolarHBondContact N-O 2.9Å; I254-N269 PolarHBondContact O-N 2.87Å; I254-P338 HydrophobicContact CD1-CG 3.32Å
255L97.7Very high96.6Very high1 Ų141.9 Ų41.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-120.6114158.8-171.4162.3000107.7V230 F246 I248 L266 Y267 L268 L321V230-L255 HydrophobicContact CB-CD1 4.43Å; V230-L255 HydrophobicContact CG1-CD1 4.43Å; V230-L255 HydrophobicContact CG2-CD1 4Å; F246-L255 HydrophobicContact CD1-CD2 4Å; F246-L255 HydrophobicContact CE1-CD2 3.83Å; I248-L255 HydrophobicContact CG2-CB 3.96Å; I248-L255 PolarHBondContact N-O 2.79Å; I248-L255 PolarHBondContact O-N 2.85Å; L255-L266 HydrophobicContact CD2-CD1 3.94Å; L255-L266 HydrophobicContact CG-CD1 4.1Å; L255-Y267 WeakPolarHBondContact CA-O 3.32Å; L255-L268 HydrophobicContact CB-CD1 4.21Å; L255-L268 HydrophobicContact CD1-CD1 4.22Å; L255-L268 HydrophobicContact CG-CD1 4.26Å; L255-L321 HydrophobicContact CB-CD1 4.45Å; L255-L321 HydrophobicContact CB-CD2 3.88Å; L255-L321 HydrophobicContact CD1-CD2 4.43Å
256A97.9Very high96.7Very high8 Ų840.8 Ų40.87%0.06618%0.178CC..EExtended strand (participates in β ladder)trans-131.5139.2-178.500000111.5L244 F246 Y247 I254 L266 Y267L244-A256 HydrophobicContact CD1-CB 4.11Å; F246-A256 CarbonylContact O-C 3.51Å; F246-A256 VanDerWaalsContact O-CA 3.25Å; F246-A256 WeakPolarHBondContact O-CA 3.48Å; Y247-A256 HydrophobicContact CD2-CB 3.99Å; I254-A256 HydrophobicContact CG2-CB 3.97Å; A256-L266 CarbonylContact O-C 3.59Å; A256-L266 WeakPolarHBondContact O-CA 3.35Å; A256-Y267 PolarHBondContact N-O 2.85Å; A256-Y267 PolarHBondContact O-N 3.05Å
257V98.5Very high96.7Very high0 Ų043 Ų430%019%0.187CC..EExtended strand (participates in β ladder)trans-116.6128.7172.4-164.70000108.4L232 F234 M245 F246 V264 R265 L266 V291 V293L232-V257 HydrophobicContact CD2-CG2 4.39Å; F234-V257 HydrophobicContact CE1-CG1 4.46Å; F234-V257 HydrophobicContact CE1-CG2 4.49Å; F234-V257 HydrophobicContact CZ-CB 4.29Å; F234-V257 HydrophobicContact CZ-CG1 4Å; M245-V257 WeakPolarHBondContact CA-O 3.49Å; M245-V257 WeakPolarHBondContact CB-O 3.47Å; M245-V257 HydrophobicContact CE-CG1 3.87Å; M245-V257 PolarHBondContact N-O 3.01Å; F246-V257 HydrophobicContact CB-CB 4.14Å; F246-V257 HydrophobicContact CB-CG2 4.2Å; F246-V257 HydrophobicContact CD1-CG2 4.39Å; F246-V257 PolarHBondContact N-O 3.09Å; F246-V257 PolarHBondContact O-N 3.09Å; V257-V264 HydrophobicContact CG1-CG1 4.01Å; V257-R265 WeakPolarHBondContact CA-O 3.44Å; V257-L266 HydrophobicContact CG2-CD1 4.02Å; V257-V291 HydrophobicContact CG1-CG1 4.3Å; V257-V293 HydrophobicContact CG2-CG2 3.82Å
258E98Very high96.7Very high41 Ų4142.6 Ų42.619%0.19219%0.186CC..EExtended strand (participates in β ladder)trans-139.4163.7-177.170.1-171.2156.900111.4G243 L244 V264 R265G243-E258 CarbonylContact O-C 3.49Å; G243-E258 VanDerWaalsContact O-CA 3.26Å; G243-E258 WeakPolarHBondContact O-CA 3.09Å; G243-E258 WeakPolarHBondContact O-CB 3.37Å; L244-E258 HydrophobicContact CD1-CB 4.35Å; E258-V264 WeakPolarHBondContact O-CA 3.27Å; E258-R265 HydrophobicContact CG-CB 4Å; E258-R265 PolarHBondContact N-O 3.02Å; E258-R265 PolarHBondContact O-N 3.19Å; E258-R265 IonicContact OE1-CZ 3.8Å; E258-R265 IonicContact OE1-NE 3.51Å; E258-R265 PolarHBondContact OE1-NE 3.29Å; E258-R265 IonicContact OE1-NH2 3.59Å; E258-R265 PolarHBondContact OE1-NH2 3.05Å; E258-R265 IonicContact OE2-NH2 3.62Å
259V98.1Very high96.7Very high6 Ų643.4 Ų43.44%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-98.5132.3161.2-179.80000107.4F236 E242 G243 M245 H263F236-V259 HydrophobicContact CD2-CG2 4.5Å; F236-V259 HydrophobicContact CE2-CG2 3.88Å; F236-V259 HydrophobicContact CZ-CG2 4.35Å; E242-V259 CarbonylContact C-O 3.56Å; E242-V259 VanDerWaalsContact CA-O 3.25Å; E242-V259 WeakPolarHBondContact CA-O 3.32Å; G243-V259 PolarHBondContact N-O 3.5Å; G243-V259 PolarHBondContact O-N 3.3Å; M245-V259 HydrophobicContact CE-CG2 3.7Å; M245-V259 HydrophobicContact CG-CG2 4.46Å; M245-V259 HydrophobicContact SD-CG2 3.79Å; V259-H263 CarbonylContact C-O 3.56Å; V259-H263 VanDerWaalsContact CA-O 3.29Å; V259-H263 WeakPolarHBondContact CA-O 3.42Å
260K97.9Very high96.8Very high77 Ų7743.2 Ų43.234%0.33519%0.187SC..EExtended strand (participates in β ladder)trans-137.8122174.4-172.6169.4-171.7168.70111S241 G262 H263 R265S241-K260 CarbonylContact O-C 3.53Å; K260-G262 PolarHBondContact O-N 2.88Å; K260-H263 PolarHBondContact N-O 3.47Å; K260-H263 PolarHBondContact O-N 3.18Å; K260-R265 VanDerWaalsContact CD-NH2 3.32Å
261R97.7Very high96.9Very high181 Ų18140.1 Ų40.168%0.68318%0.183SC*.THydrogen-bonded Turntrans50.732.6-171-58.6177.5179.8169-1.9112.8S241 H263 K282S241-R261 CarbonylContact O-C 3.57Å; S241-R261 WeakPolarHBondContact O-CA 3.22Å; S241-R261 PolarHBondContact O-N 3.23Å; R261-H263 VanDerWaalsContact C-N 3.33Å; R261-H263 PolarHBondContact O-CD2 2.79Å; R261-K282 WeakPolarHBondContact O-CE 3.27Å
262G97.5Very high97.1Very high0 Ų036.4 Ų36.40%017%0.167CC..THydrogen-bonded Turntrans85.1-11.6-176.500000115.7S241 K260 K282 Y283 N284S241-G262 PolarHBondContact O-N 2.83Å; K260-G262 PolarHBondContact O-N 2.88Å; G262-K282 CarbonylContact O-C 3.55Å; G262-K282 VanDerWaalsContact O-CA 3.23Å; G262-K282 WeakPolarHBondContact O-CA 3.29Å; G262-Y283 PolarHBondContact O-N 2.79Å; G262-N284 VanDerWaalsContact CA-OD1 3.23Å; G262-N284 WeakPolarHBondContact CA-OD1 3.36Å
263H98.4Very high97.2Very high45 Ų4528.9 Ų28.921%0.20815%0.147CC..EExtended strand (participates in β ladder)trans-86.2142.9178.4-60-96.4000110.8V259 K260 R261 T278 T279 P280 R281V259-H263 CarbonylContact C-O 3.56Å; V259-H263 VanDerWaalsContact CA-O 3.29Å; V259-H263 WeakPolarHBondContact CA-O 3.42Å; K260-H263 PolarHBondContact N-O 3.47Å; K260-H263 PolarHBondContact O-N 3.18Å; R261-H263 VanDerWaalsContact C-N 3.33Å; R261-H263 PolarHBondContact O-CD2 2.79Å; H263-T278 HydrophobicContact CB-CG2 3.71Å; H263-T279 PolarHBondContact ND1-O 3.09Å; H263-P280 PolarHBondContact CE1-O 2.76Å; H263-P280 PolarHBondContact ND1-O 2.94Å; H263-R281 PolarHBondContact ND1-O 2.9Å; H263-R281 VanDerWaalsContact ND1-O 3.14Å
264V98.5Very high97.1Very high0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-79.9131.2172-178.70000108.3F236 M245 V257 E258 T279 Y283 V291 L302 V304F236-V264 HydrophobicContact CE1-CG2 3.93Å; F236-V264 HydrophobicContact CZ-CG2 3.65Å; M245-V264 HydrophobicContact CE-CG1 3.99Å; M245-V264 HydrophobicContact CE-CG2 4.44Å; V257-V264 HydrophobicContact CG1-CG1 4.01Å; E258-V264 WeakPolarHBondContact O-CA 3.27Å; V264-T279 HydrophobicContact CB-CG2 4Å; V264-T279 PolarHBondContact N-OG1 2.93Å; V264-T279 PolarHBondContact O-N 2.93Å; V264-T279 PolarHBondContact O-OG1 3.06Å; V264-Y283 HydrophobicContact CG2-CD2 3.98Å; V264-Y283 HydrophobicContact CG2-CG 4.25Å; V264-V291 HydrophobicContact CG1-CG1 4.29Å; V264-V291 HydrophobicContact CG1-CG2 4.25Å; V264-L302 HydrophobicContact CG1-CD1 4.01Å; V264-L302 HydrophobicContact CG1-CD2 4.21Å; V264-V304 HydrophobicContact CB-CG2 3.92Å; V264-V304 HydrophobicContact CG1-CG2 4.09Å; V264-V304 HydrophobicContact CG2-CG2 4.01Å
265R98.4Very high97.1Very high33 Ų3330.3 Ų30.313%0.12517%0.166CC..EExtended strand (participates in β ladder)trans-132.6129.3-175.4-173.5166.377.2147.612.1111V257 E258 K260 F276 L277 T278V257-R265 WeakPolarHBondContact CA-O 3.44Å; E258-R265 HydrophobicContact CG-CB 4Å; E258-R265 PolarHBondContact N-O 3.02Å; E258-R265 PolarHBondContact O-N 3.19Å; E258-R265 IonicContact OE1-CZ 3.8Å; E258-R265 IonicContact OE1-NE 3.51Å; E258-R265 PolarHBondContact OE1-NE 3.29Å; E258-R265 IonicContact OE1-NH2 3.59Å; E258-R265 PolarHBondContact OE1-NH2 3.05Å; E258-R265 IonicContact OE2-NH2 3.62Å; K260-R265 VanDerWaalsContact CD-NH2 3.32Å; R265-F276 VanDerWaalsContact CD-CD1 3.45Å; R265-F276 HydrophobicContact CG-CB 4.3Å; R265-F276 HydrophobicContact CG-CD1 3.68Å; R265-F276 HydrophobicContact CG-CE1 4.49Å; R265-F276 HydrophobicContact CG-CG 4.39Å; R265-F276 VanDerWaalsContact CZ-CD1 3.48Å; R265-F276 VanDerWaalsContact NH2-CE1 3.28Å; R265-L277 CarbonylContact C-O 3.59Å; R265-L277 VanDerWaalsContact CA-O 3.25Å; R265-L277 WeakPolarHBondContact CA-O 3.19Å; R265-T278 HydrophobicContact CB-CG2 4.47Å; R265-T278 VanDerWaalsContact CD-OG1 3.31Å; R265-T278 WeakPolarHBondContact CD-OG1 3.33Å; R265-T278 WeakPolarHBondContact CG-OG1 3.42Å
266L98.5Very high97.1Very high2 Ų235 Ų351%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-95.6132.4167.5175.368.7000108.5L255 A256 V257 F276 L277 V293 A300 L302L255-L266 HydrophobicContact CD2-CD1 3.94Å; L255-L266 HydrophobicContact CG-CD1 4.1Å; A256-L266 CarbonylContact O-C 3.59Å; A256-L266 WeakPolarHBondContact O-CA 3.35Å; V257-L266 HydrophobicContact CG2-CD1 4.02Å; L266-F276 CarbonylContact O-C 3.52Å; L266-F276 VanDerWaalsContact O-CA 3.25Å; L266-F276 WeakPolarHBondContact O-CA 2.82Å; L266-L277 HydrophobicContact CB-CB 4.29Å; L266-L277 HydrophobicContact CD2-CD1 3.98Å; L266-L277 HydrophobicContact CD2-CG 4.43Å; L266-L277 PolarHBondContact N-O 2.86Å; L266-L277 PolarHBondContact O-N 2.71Å; L266-V293 HydrophobicContact CD1-CG1 3.92Å; L266-V293 HydrophobicContact CD1-CG2 4.25Å; L266-V293 HydrophobicContact CD2-CG1 3.92Å; L266-A300 HydrophobicContact CD2-CB 3.76Å; L266-L302 HydrophobicContact CB-CB 4.35Å; L266-L302 HydrophobicContact CB-CD2 4.15Å
267Y97.8Very high97.2Very high53 Ų5335.6 Ų35.621%0.20819%0.188CC..EExtended strand (participates in β ladder)trans-111.2128.8165.5-179.4-111.7000109.5I254 L255 A256 N269 A275 F276I254-Y267 HydrophobicContact CB-CD1 4.14Å; I254-Y267 HydrophobicContact CB-CE1 4.03Å; I254-Y267 HydrophobicContact CD1-CE1 4.17Å; I254-Y267 HydrophobicContact CG2-CD1 3.85Å; I254-Y267 HydrophobicContact CG2-CE1 4.17Å; L255-Y267 WeakPolarHBondContact CA-O 3.32Å; A256-Y267 PolarHBondContact N-O 2.85Å; A256-Y267 PolarHBondContact O-N 3.05Å; Y267-N269 HydrophobicContact CE1-CB 4.02Å; Y267-A275 WeakPolarHBondContact CA-O 3.44Å; Y267-F276 AromaticContact CD2-CD1 3.64Å; Y267-F276 HydrophobicContact CD2-CD1 3.64Å; Y267-F276 HydrophobicContact CD2-CD2 4.21Å; Y267-F276 AromaticContact CD2-CE1 3.26Å; Y267-F276 HydrophobicContact CD2-CE1 3.26Å; Y267-F276 AromaticContact CD2-CE2 3.86Å; Y267-F276 HydrophobicContact CD2-CE2 3.86Å; Y267-F276 HydrophobicContact CD2-CG 4.12Å; Y267-F276 AromaticContact CD2-CZ 3.37Å; Y267-F276 HydrophobicContact CD2-CZ 3.37Å; Y267-F276 HydrophobicContact CE2-CE1 4.15Å; Y267-F276 HydrophobicContact CE2-CE2 4.02Å; Y267-F276 AromaticContact CE2-CZ 3.78Å; Y267-F276 HydrophobicContact CE2-CZ 3.78Å; Y267-F276 HydrophobicContact CG-CD1 4.2Å; Y267-F276 AromaticContact CG-CE1 3.74Å; Y267-F276 HydrophobicContact CG-CE1 3.74Å; Y267-F276 HydrophobicContact CG-CZ 4.17Å
268L98Very high97.2Very high5 Ų538.6 Ų38.63%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-130.8118.9178.1-177.765.3000110.4I254 L255 L270 G274 A275 R295 A300I254-L268 CarbonylContact O-C 3.59Å; I254-L268 WeakPolarHBondContact O-CA 3.18Å; L255-L268 HydrophobicContact CB-CD1 4.21Å; L255-L268 HydrophobicContact CD1-CD1 4.22Å; L255-L268 HydrophobicContact CG-CD1 4.26Å; L268-L270 HydrophobicContact CD1-CD2 3.84Å; L268-L270 HydrophobicContact CD1-CG 4.32Å; L268-L270 HydrophobicContact CG-CD2 4.41Å; L268-L270 HydrophobicContact CG-CG 4.36Å; L268-G274 CarbonylContact O-C 3.54Å; L268-G274 WeakPolarHBondContact O-CA 3.16Å; L268-A275 PolarHBondContact N-O 3.29Å; L268-A275 PolarHBondContact O-N 3.15Å; L268-R295 HydrophobicContact CD2-CG 4.26Å; L268-A300 HydrophobicContact CD2-CB 4.06Å
269N96.9Very high97.2Very high18 Ų1836.7 Ų36.710%0.09620%0.198CC..EExtended strand (participates in β ladder)trans-127.5124.6169.5-173.84.4000108.7R252 D253 I254 Y267 G271 G273R252-N269 VanDerWaalsContact O-CG 3.27Å; R252-N269 PolarHBondContact O-ND2 2.75Å; D253-N269 CarbonylContact C-O 3.56Å; D253-N269 VanDerWaalsContact CA-O 3.28Å; D253-N269 WeakPolarHBondContact CA-O 3.3Å; I254-N269 PolarHBondContact N-O 2.9Å; I254-N269 PolarHBondContact O-N 2.87Å; Y267-N269 HydrophobicContact CE1-CB 4.02Å; N269-G271 PolarHBondContact OD1-N 2.99Å; N269-G273 PolarHBondContact OD1-N 2.9Å; N269-G273 VanDerWaalsContact OD1-N 3.11Å; N269-G273 PolarHBondContact OD1-O 3.46Å
270L97.2Very high97.1Very high1 Ų140.7 Ų40.71%0.00522%0.224CC..SBendtrans-107.624.3177.3-58.4-177.7000111.7L268 K298 S314 L318 L321L268-L270 HydrophobicContact CD1-CD2 3.84Å; L268-L270 HydrophobicContact CD1-CG 4.32Å; L268-L270 HydrophobicContact CG-CD2 4.41Å; L268-L270 HydrophobicContact CG-CG 4.36Å; L270-K298 HydrophobicContact CD1-CB 4.11Å; L270-S314 WeakPolarHBondContact CD1-OG 3.32Å; L270-L318 HydrophobicContact CB-CB 4.19Å; L270-L318 WeakPolarHBondContact CD1-O 3.21Å; L270-L318 VanDerWaalsContact O-CB 3.22Å; L270-L318 WeakPolarHBondContact O-CB 3.48Å; L270-L318 WeakPolarHBondContact O-CD1 3.15Å; L270-L321 HydrophobicContact CD2-CB 3.72Å; L270-L321 HydrophobicContact CD2-CD1 3.78Å; L270-L321 HydrophobicContact CD2-CG 4.36Å
271G94.7Very high97.1Very high30 Ų3042.7 Ų42.731%0.30923%0.23SC..SBendtrans100.6-18.7178.100000115.1D253 N269D253-G271 WeakPolarHBondContact OD1-CA 3.44Å; D253-G271 PolarHBondContact OD1-N 3.47Å; D253-G271 VanDerWaalsContact OD1-N 3.13Å; N269-G271 PolarHBondContact OD1-N 2.99Å
272S93.8Very high97.1Very high49 Ų4940.5 Ų40.534%0.34323%0.225SC..SBendtrans-109.118.3-17850.40000114.7P315S272-P315 PolarHBondContact OG-O 3.09Å
273G93.7Very high97.1Very high28 Ų2840.7 Ų40.729%0.28923%0.226SC..  trans120.3152.4178.200000112.1N269 P315N269-G273 PolarHBondContact OD1-N 2.9Å; N269-G273 VanDerWaalsContact OD1-N 3.11Å; N269-G273 PolarHBondContact OD1-O 3.46Å; G273-P315 VanDerWaalsContact C-CG 3.42Å; G273-P315 VanDerWaalsContact O-CD 3.27Å; G273-P315 WeakPolarHBondContact O-CD 3.2Å; G273-P315 VanDerWaalsContact O-CG 3.31Å; G273-P315 WeakPolarHBondContact O-CG 3.41Å
274G94.2Very high97Very high34 Ų3440.3 Ų40.335%0.35123%0.225SC..EExtended strand (participates in β ladder)trans-95.4145-177.100000113.7L268L268-G274 CarbonylContact O-C 3.54Å; L268-G274 WeakPolarHBondContact O-CA 3.16Å
275A96.5Very high96.8Very high24 Ų2444.5 Ų44.520%0.19825%0.248CC..EExtended strand (participates in β ladder)trans-121.1148.8168.500000110.7Y267 L268 S313Y267-A275 WeakPolarHBondContact CA-O 3.44Å; L268-A275 PolarHBondContact N-O 3.29Å; L268-A275 PolarHBondContact O-N 3.15Å; A275-S313 WeakPolarHBondContact CB-O 3.45Å
276F97.8Very high96.3Very high100 Ų10043.2 Ų43.244%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-111134.3172.7-69.7-76.1000110.6R265 L266 Y267R265-F276 VanDerWaalsContact CD-CD1 3.45Å; R265-F276 HydrophobicContact CG-CB 4.3Å; R265-F276 HydrophobicContact CG-CD1 3.68Å; R265-F276 HydrophobicContact CG-CE1 4.49Å; R265-F276 HydrophobicContact CG-CG 4.39Å; R265-F276 VanDerWaalsContact CZ-CD1 3.48Å; R265-F276 VanDerWaalsContact NH2-CE1 3.28Å; L266-F276 CarbonylContact O-C 3.52Å; L266-F276 VanDerWaalsContact O-CA 3.25Å; L266-F276 WeakPolarHBondContact O-CA 2.82Å; Y267-F276 AromaticContact CD2-CD1 3.64Å; Y267-F276 HydrophobicContact CD2-CD1 3.64Å; Y267-F276 HydrophobicContact CD2-CD2 4.21Å; Y267-F276 AromaticContact CD2-CE1 3.26Å; Y267-F276 HydrophobicContact CD2-CE1 3.26Å; Y267-F276 AromaticContact CD2-CE2 3.86Å; Y267-F276 HydrophobicContact CD2-CE2 3.86Å; Y267-F276 HydrophobicContact CD2-CG 4.12Å; Y267-F276 AromaticContact CD2-CZ 3.37Å; Y267-F276 HydrophobicContact CD2-CZ 3.37Å; Y267-F276 HydrophobicContact CE2-CE1 4.15Å; Y267-F276 HydrophobicContact CE2-CE2 4.02Å; Y267-F276 AromaticContact CE2-CZ 3.78Å; Y267-F276 HydrophobicContact CE2-CZ 3.78Å; Y267-F276 HydrophobicContact CG-CD1 4.2Å; Y267-F276 AromaticContact CG-CE1 3.74Å; Y267-F276 HydrophobicContact CG-CE1 3.74Å; Y267-F276 HydrophobicContact CG-CZ 4.17Å
277L98.3Very high95.9Very high20 Ų2045.8 Ų45.811%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-109.9125.9162-49.3-176.9000107.8R265 L266 A300 L302 V310R265-L277 CarbonylContact C-O 3.59Å; R265-L277 VanDerWaalsContact CA-O 3.25Å; R265-L277 WeakPolarHBondContact CA-O 3.19Å; L266-L277 HydrophobicContact CB-CB 4.29Å; L266-L277 HydrophobicContact CD2-CD1 3.98Å; L266-L277 HydrophobicContact CD2-CG 4.43Å; L266-L277 PolarHBondContact N-O 2.86Å; L266-L277 PolarHBondContact O-N 2.71Å; L277-A300 HydrophobicContact CD1-CB 4.11Å; L277-A300 VanDerWaalsContact CD1-O 3.31Å; L277-A300 WeakPolarHBondContact CD1-O 3.32Å; L277-L302 HydrophobicContact CB-CB 4.41Å; L277-V310 HydrophobicContact CB-CG2 3.83Å
278T98.4Very high95.5Very high63 Ų6349 Ų4939%0.38728%0.275SS..EExtended strand (participates in β ladder)trans-127.8132.6-174.9-53.10000110H263 R265H263-T278 HydrophobicContact CB-CG2 3.71Å; R265-T278 HydrophobicContact CB-CG2 4.47Å; R265-T278 VanDerWaalsContact CD-OG1 3.31Å; R265-T278 WeakPolarHBondContact CD-OG1 3.33Å; R265-T278 WeakPolarHBondContact CG-OG1 3.42Å
279T98.4Very high95.3Very high2 Ų249.3 Ų49.31%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-66.6144.8176.658.10000111.9H263 V264 R281 Y283 L302 V304 D308H263-T279 PolarHBondContact ND1-O 3.09Å; V264-T279 HydrophobicContact CB-CG2 4Å; V264-T279 PolarHBondContact N-OG1 2.93Å; V264-T279 PolarHBondContact O-N 2.93Å; V264-T279 PolarHBondContact O-OG1 3.06Å; T279-R281 PolarHBondContact OG1-O 3.16Å; T279-Y283 HydrophobicContact CG2-CE2 4.11Å; T279-L302 HydrophobicContact CG2-CD2 4.12Å; T279-L302 HydrophobicContact CG2-CG 4.47Å; T279-V304 HydrophobicContact CG2-CB 4.34Å; T279-V304 HydrophobicContact CG2-CG2 3.63Å; T279-D308 HydrophobicContact CG2-CB 4.21Å
280P97.4Very high95.3Very high89 Ų8950.8 Ų50.858%0.57828%0.281SS*.EExtended strand (participates in β ladder)trans-68.7-34175.727.6-34.1000112.3H263 D308H263-P280 PolarHBondContact CE1-O 2.76Å; H263-P280 PolarHBondContact ND1-O 2.94Å; P280-D308 WeakPolarHBondContact CD-OD2 3.43Å; P280-D308 HydrophobicContact CG-CB 4.39Å; P280-D308 WeakPolarHBondContact CG-OD2 3.47Å
281R97.5Very high95.3Very high120 Ų12050.8 Ų50.845%0.45328%0.281SS..EExtended strand (participates in β ladder)trans-93.8161.9178.7-58.3-176.6-69.7163.87.3112.6H263 T279 Y283 D308H263-R281 PolarHBondContact ND1-O 2.9Å; H263-R281 VanDerWaalsContact ND1-O 3.14Å; T279-R281 PolarHBondContact OG1-O 3.16Å; R281-Y283 HydrophobicContact CB-CE2 3.93Å; R281-Y283 PolarHBondContact NE-OH 2.74Å; R281-Y283 PolarHBondContact NH2-OH 2.94Å; R281-Y283 WeakPolarHBondContact O-CD2 3.28Å; R281-Y283 WeakPolarHBondContact O-CE2 3Å; R281-D308 VanDerWaalsContact CB-OD2 3.24Å; R281-D308 WeakPolarHBondContact CB-OD2 3.15Å; R281-D308 WeakPolarHBondContact CG-OD2 3.13Å; R281-D308 IonicContact CZ-OD1 3.31Å; R281-D308 VanDerWaalsContact CZ-OD1 3.31Å; R281-D308 PolarHBondContact N-OD2 2.68Å; R281-D308 VanDerWaalsContact N-OD2 3.13Å; R281-D308 VanDerWaalsContact NE-CG 3.33Å; R281-D308 IonicContact NE-OD1 2.76Å; R281-D308 PolarHBondContact NE-OD1 2.68Å; R281-D308 IonicContact NE-OD2 3.28Å; R281-D308 PolarHBondContact NE-OD2 2.93Å; R281-D308 IonicContact NH2-OD1 3.15Å; R281-D308 PolarHBondContact NH2-OD1 2.8Å; R281-D308 VanDerWaalsContact NH2-OD1 3.15Å
282K98.1Very high95.5Very high134 Ų13450.6 Ų50.658%0.58327%0.272SS*.EExtended strand (participates in β ladder)trans-91.8147.6171.7-64.4-179.5-179.1177.20110.3R261 G262R261-K282 WeakPolarHBondContact O-CE 3.27Å; G262-K282 CarbonylContact O-C 3.55Å; G262-K282 VanDerWaalsContact O-CA 3.23Å; G262-K282 WeakPolarHBondContact O-CA 3.29Å
283Y97.3Very high95.7Very high5 Ų548.2 Ų48.22%0.0226%0.256CS..  trans-137.329.8-173-65.9-83.3000112F236 G262 V264 T279 R281 H289 V304 D308F236-Y283 VanDerWaalsContact CE2-O 3.25Å; F236-Y283 WeakPolarHBondContact CE2-O 3.28Å; F236-Y283 WeakPolarHBondContact CZ-O 3.28Å; G262-Y283 PolarHBondContact O-N 2.79Å; V264-Y283 HydrophobicContact CG2-CD2 3.98Å; V264-Y283 HydrophobicContact CG2-CG 4.25Å; T279-Y283 HydrophobicContact CG2-CE2 4.11Å; R281-Y283 HydrophobicContact CB-CE2 3.93Å; R281-Y283 PolarHBondContact NE-OH 2.74Å; R281-Y283 PolarHBondContact NH2-OH 2.94Å; R281-Y283 WeakPolarHBondContact O-CD2 3.28Å; R281-Y283 WeakPolarHBondContact O-CE2 3Å; Y283-H289 HydrophobicContact CD1-CB 4.27Å; Y283-H289 AromaticContact CD1-CD2 3.94Å; Y283-H289 AromaticContact CD1-CE1 3.69Å; Y283-H289 AromaticContact CD1-CG 3.68Å; Y283-H289 AromaticContact CD1-ND1 3.53Å; Y283-H289 AromaticContact CD1-NE2 3.9Å; Y283-H289 PolarHBondContact O-CD2 3.1Å; Y283-H289 VanDerWaalsContact O-CD2 3.29Å; Y283-V304 HydrophobicContact CD1-CG1 3.5Å; Y283-V304 HydrophobicContact CD2-CG1 4.11Å; Y283-V304 HydrophobicContact CE1-CB 4.03Å; Y283-V304 HydrophobicContact CE1-CG1 3.33Å; Y283-V304 HydrophobicContact CE2-CB 4.04Å; Y283-V304 HydrophobicContact CE2-CG1 3.98Å; Y283-V304 HydrophobicContact CE2-CG2 4.46Å; Y283-V304 HydrophobicContact CG-CG1 3.89Å; Y283-D308 WeakPolarHBondContact CE2-OD2 3.2Å; Y283-D308 VanDerWaalsContact OH-CB 3.25Å; Y283-D308 WeakPolarHBondContact OH-CB 3.33Å; Y283-D308 PolarHBondContact OH-OD1 2.76Å; Y283-D308 PolarHBondContact OH-OD2 2.61Å
284N96.2Very high95.9Very high36 Ų3651.5 Ų51.519%0.19326%0.262CS..  trans-110.640.1176.771.1-53.3000111.4T238 F239 A240 G262T238-N284 HydrophobicContact CG2-CB 4.05Å; T238-N284 CarbonylContact O-C 3.41Å; T238-N284 WeakPolarHBondContact O-CA 3Å; F239-N284 PolarHBondContact O-ND2 3.18Å; A240-N284 WeakPolarHBondContact O-CB 3.04Å; G262-N284 VanDerWaalsContact CA-OD1 3.23Å; G262-N284 WeakPolarHBondContact CA-OD1 3.36Å
285D93.5Very high96.1Very high88 Ų8850.2 Ų50.247%0.47125%0.246SC..SBendtrans-89.1-0.9-17570.1-10.4000113.6F239 S287 H289F239-D285 VanDerWaalsContact CE1-O 3.29Å; F239-D285 WeakPolarHBondContact CE1-O 3.31Å; D285-S287 VanDerWaalsContact C-N 3.35Å; D285-S287 WeakPolarHBondContact OD1-CA 3.01Å; D285-S287 WeakPolarHBondContact OD1-CB 3.39Å; D285-S287 PolarHBondContact OD1-N 2.76Å; D285-S287 PolarHBondContact OD1-OG 3.34Å; D285-S287 WeakPolarHBondContact OD2-CB 3.5Å; D285-S287 PolarHBondContact OD2-OG 3.21Å; D285-S287 VanDerWaalsContact OD2-OG 3.12Å; D285-H289 IonicContact OD1-CD2 3.69Å; D285-H289 IonicContact OD1-CE1 3.91Å; D285-H289 IonicContact OD1-NE2 3.66Å; D285-H289 PolarHBondContact OD1-NE2 3.29Å; D285-H289 IonicContact OD2-CE1 3.73Å; D285-H289 IonicContact OD2-NE2 2.76Å
286G88.1Confident96.1Very high6 Ų655.3 Ų55.36%0.06227%0.266CS..SBendtrans81.77.2-174.500000115.3K237 T238 F239K237-G286 VanDerWaalsContact CD-O 3.25Å; K237-G286 WeakPolarHBondContact CD-O 3.22Å; K237-G286 WeakPolarHBondContact CE-O 3.42Å; K237-G286 WeakPolarHBondContact CG-O 3.48Å; K237-G286 PolarHBondContact NZ-O 3.23Å; T238-G286 PolarHBondContact O-N 2.79Å; T238-G286 VanDerWaalsContact O-N 3.12Å; F239-G286 VanDerWaalsContact CE1-CA 3.48Å; F239-G286 VanDerWaalsContact CZ-CA 3.49Å
287S89.8Confident96.1Very high56 Ų5651.1 Ų51.139%0.39225%0.251SS..SBendtrans-92.3166.2171.4-55.20000111K237 D285K237-S287 WeakPolarHBondContact CA-O 3.19Å; K237-S287 WeakPolarHBondContact CB-O 3.49Å; D285-S287 VanDerWaalsContact C-N 3.35Å; D285-S287 WeakPolarHBondContact OD1-CA 3.01Å; D285-S287 WeakPolarHBondContact OD1-CB 3.39Å; D285-S287 PolarHBondContact OD1-N 2.76Å; D285-S287 PolarHBondContact OD1-OG 3.34Å; D285-S287 WeakPolarHBondContact OD2-CB 3.5Å; D285-S287 PolarHBondContact OD2-OG 3.21Å; D285-S287 VanDerWaalsContact OD2-OG 3.12Å
288Y89.9Confident96Very high120 Ų12054.2 Ų54.247%0.47126%0.264SS..  trans-81.9131.5170.3-79.2-82.1000110A204 F236 K237A204-Y288 HydrophobicContact CB-CE2 3.63Å; A204-Y288 WeakPolarHBondContact CB-OH 3.36Å; A204-Y288 PolarHBondContact O-OH 3.13Å; A204-Y288 VanDerWaalsContact O-OH 3.11Å; F236-Y288 WeakPolarHBondContact O-CA 3.39Å; K237-Y288 HydrophobicContact CB-CD1 3.9Å; K237-Y288 HydrophobicContact CB-CE1 3.97Å; K237-Y288 HydrophobicContact CB-CG 4.22Å; K237-Y288 HydrophobicContact CD-CD2 4.05Å; K237-Y288 HydrophobicContact CD-CE2 3.78Å
289H94.5Very high96Very high13 Ų1354.6 Ų54.66%0.0626%0.261CS..EExtended strand (participates in β ladder)trans-125.1142.2174.7-60.7-66.6000110.8Y235 F236 Y283 D285 V304 D305Y235-H289 VanDerWaalsContact CA-O 3.26Å; Y235-H289 WeakPolarHBondContact CA-O 3.35Å; F236-H289 HydrophobicContact CD1-CB 4.11Å; F236-H289 HydrophobicContact CE1-CB 3.61Å; F236-H289 HydrophobicContact CZ-CB 4.12Å; F236-H289 PolarHBondContact N-O 2.61Å; F236-H289 PolarHBondContact O-N 2.88Å; Y283-H289 HydrophobicContact CD1-CB 4.27Å; Y283-H289 AromaticContact CD1-CD2 3.94Å; Y283-H289 AromaticContact CD1-CE1 3.69Å; Y283-H289 AromaticContact CD1-CG 3.68Å; Y283-H289 AromaticContact CD1-ND1 3.53Å; Y283-H289 AromaticContact CD1-NE2 3.9Å; Y283-H289 PolarHBondContact O-CD2 3.1Å; Y283-H289 VanDerWaalsContact O-CD2 3.29Å; D285-H289 IonicContact OD1-CD2 3.69Å; D285-H289 IonicContact OD1-CE1 3.91Å; D285-H289 IonicContact OD1-NE2 3.66Å; D285-H289 PolarHBondContact OD1-NE2 3.29Å; D285-H289 IonicContact OD2-CE1 3.73Å; D285-H289 IonicContact OD2-NE2 2.76Å; H289-V304 HydrophobicContact CB-CG1 4.19Å; H289-D305 VanDerWaalsContact CA-OD1 3.3Å; H289-D305 WeakPolarHBondContact CA-OD1 3.21Å; H289-D305 IonicContact CE1-OD2 2.69Å; H289-D305 IonicContact CG-OD2 3.85Å; H289-D305 IonicContact ND1-OD1 2.7Å; H289-D305 IonicContact ND1-OD2 3.66Å; H289-D305 PolarHBondContact ND1-OD2 3.21Å
290R95.8Very high96Very high49 Ų4954.6 Ų54.619%0.18526%0.262CS..EExtended strand (participates in β ladder)trans-93.6119.7176.4-176.7-179.4171.7-820.1109.6V233 Y235 Q292 V304 D305 L306V233-R290 HydrophobicContact CG1-CG 4.26Å; Y235-R290 HydrophobicContact CD1-CB 3.82Å; Y235-R290 HydrophobicContact CD1-CG 4.24Å; Y235-R290 HydrophobicContact CE1-CB 3.55Å; Y235-R290 HydrophobicContact CE1-CG 3.73Å; R290-Q292 VanDerWaalsContact NH1-OE1 3.15Å; R290-V304 CarbonylContact O-C 3.57Å; R290-V304 VanDerWaalsContact O-CA 3.3Å; R290-V304 WeakPolarHBondContact O-CA 3.24Å; R290-D305 PolarHBondContact N-OD1 3.39Å; R290-D305 PolarHBondContact O-N 3.02Å; R290-L306 VanDerWaalsContact NH1-CD2 3.34Å
291V97.6Very high96Very high0 Ų052.8 Ų52.80%025%0.247CC..EExtended strand (participates in β ladder)trans-102.8134.1172.3-178.70000109.2V233 F234 F236 V257 V264 V293 L302 V304V233-V291 WeakPolarHBondContact CA-O 3.28Å; F234-V291 HydrophobicContact CD1-CB 4.37Å; F234-V291 HydrophobicContact CD2-CB 4.34Å; F234-V291 HydrophobicContact CE1-CB 3.93Å; F234-V291 HydrophobicContact CE1-CG1 3.83Å; F234-V291 HydrophobicContact CE2-CB 3.89Å; F234-V291 HydrophobicContact CE2-CG1 4.43Å; F234-V291 HydrophobicContact CE2-CG2 3.93Å; F234-V291 HydrophobicContact CZ-CB 3.68Å; F234-V291 HydrophobicContact CZ-CG1 3.72Å; F234-V291 HydrophobicContact CZ-CG2 4.02Å; F234-V291 PolarHBondContact N-O 3.09Å; F234-V291 PolarHBondContact O-N 2.68Å; F236-V291 HydrophobicContact CD1-CG2 3.54Å; F236-V291 HydrophobicContact CE1-CG2 3.4Å; V257-V291 HydrophobicContact CG1-CG1 4.3Å; V264-V291 HydrophobicContact CG1-CG1 4.29Å; V264-V291 HydrophobicContact CG1-CG2 4.25Å; V291-V293 HydrophobicContact CG1-CG2 4.4Å; V291-L302 HydrophobicContact CG1-CD1 3.81Å; V291-V304 HydrophobicContact CG2-CG2 4.25Å
292Q97.9Very high96.1Very high26 Ų2647.1 Ų47.112%0.12123%0.225CC..EExtended strand (participates in β ladder)trans-127128.6169.1-179.4161.52300110.3D231 L232 V233 R290 K294 S303D231-Q292 PolarHBondContact OD1-NE2 3.33Å; L232-Q292 CarbonylContact O-C 3.5Å; L232-Q292 VanDerWaalsContact O-CA 3.3Å; L232-Q292 WeakPolarHBondContact O-CA 3.37Å; V233-Q292 HydrophobicContact CG2-CB 4.18Å; V233-Q292 HydrophobicContact CG2-CG 3.83Å; R290-Q292 VanDerWaalsContact NH1-OE1 3.15Å; Q292-K294 HydrophobicContact CG-CG 4.25Å; Q292-S303 PolarHBondContact N-O 3.06Å; Q292-S303 PolarHBondContact O-N 3.48Å
293V98.4Very high96.1Very high0 Ų041.2 Ų41.20%020%0.201CC..EExtended strand (participates in β ladder)trans-116.6118.8171.71750000108.1D231 L232 V257 L266 V291 I301 L302D231-V293 WeakPolarHBondContact CA-O 3.43Å; L232-V293 HydrophobicContact CB-CB 4.35Å; L232-V293 PolarHBondContact N-O 2.88Å; L232-V293 PolarHBondContact O-N 3.47Å; V257-V293 HydrophobicContact CG2-CG2 3.82Å; L266-V293 HydrophobicContact CD1-CG1 3.92Å; L266-V293 HydrophobicContact CD1-CG2 4.25Å; L266-V293 HydrophobicContact CD2-CG1 3.92Å; V291-V293 HydrophobicContact CG1-CG2 4.4Å; V293-I301 WeakPolarHBondContact CA-O 2.89Å; V293-L302 HydrophobicContact CG2-CD1 3.85Å
294K98.1Very high96.1Very high96 Ų9641 Ų4142%0.41720%0.2SC..EExtended strand (participates in β ladder)trans-108.2137.9168.4-66.5-172.3176.6-171.10109.5V230 Q292 A300 I301V230-K294 CarbonylContact O-C 3.47Å; V230-K294 VanDerWaalsContact O-CA 3.23Å; V230-K294 WeakPolarHBondContact O-CA 3.41Å; Q292-K294 HydrophobicContact CG-CG 4.25Å; K294-A300 CarbonylContact O-C 3.53Å; K294-A300 VanDerWaalsContact O-CA 3.24Å; K294-A300 WeakPolarHBondContact O-CA 3.3Å; K294-I301 HydrophobicContact CB-CB 4.38Å; K294-I301 PolarHBondContact N-O 2.95Å; K294-I301 PolarHBondContact O-N 3.36Å
295R97.9Very high96Very high8 Ų842.2 Ų42.23%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-137.3137.9173.4-170.7-171.268.488.6-2.5109.9P226 R227 E228 Q229 V230 L268 G297 H299 A300 N319P226-R295 PolarHBondContact O-NH2 3.04Å; R227-R295 PolarHBondContact O-NH2 2.85Å; E228-R295 PolarHBondContact O-NH1 3.22Å; E228-R295 PolarHBondContact O-NH2 3.49Å; Q229-R295 CarbonylContact C-O 3.54Å; Q229-R295 WeakPolarHBondContact CA-O 3.35Å; V230-R295 HydrophobicContact CB-CB 3.98Å; V230-R295 PolarHBondContact N-O 3.07Å; V230-R295 PolarHBondContact O-N 3.48Å; L268-R295 HydrophobicContact CD2-CG 4.26Å; R295-G297 WeakPolarHBondContact CD-O 3.31Å; R295-G297 VanDerWaalsContact CG-O 3.31Å; R295-G297 WeakPolarHBondContact CG-O 3.27Å; R295-G297 PolarHBondContact NH1-O 2.88Å; R295-H299 CarbonylContact C-O 3.57Å; R295-H299 VanDerWaalsContact CA-O 3.29Å; R295-H299 WeakPolarHBondContact CA-O 3.33Å; R295-H299 VanDerWaalsContact CG-O 3.3Å; R295-H299 WeakPolarHBondContact CG-O 2.96Å; R295-A300 HydrophobicContact CB-CB 4.42Å; R295-A300 HydrophobicContact CG-CB 4.27Å; R295-N319 PolarHBondContact NH1-O 3.24Å; R295-N319 VanDerWaalsContact NH1-O 3.16Å
296E97.8Very high95.6Very high130 Ų13044 Ų4461%0.60722%0.216SC*.EExtended strand (participates in β ladder)trans-136110.5168.3-178.2167.6-151.300108.7Q229 K298 H299Q229-E296 HydrophobicContact CG-CB 4.44Å; Q229-E296 HydrophobicContact CG-CG 4.24Å; Q229-E296 PolarHBondContact NE2-OE1 2.95Å; E296-K298 PolarHBondContact O-N 3Å; E296-H299 PolarHBondContact N-O 3.08Å; E296-H299 PolarHBondContact O-N 3.38Å
297G97.2Very high95.5Very high13 Ų1346.7 Ų46.713%0.13424%0.237CC..THydrogen-bonded Turntrans55.7-132.1-170.300000111.4E228 R295 H299E228-G297 PolarHBondContact O-N 2.63Å; R295-G297 WeakPolarHBondContact CD-O 3.31Å; R295-G297 VanDerWaalsContact CG-O 3.31Å; R295-G297 WeakPolarHBondContact CG-O 3.27Å; R295-G297 PolarHBondContact NH1-O 2.88Å; G297-H299 VanDerWaalsContact C-N 3.29Å; G297-H299 PolarHBondContact O-N 2.79Å
298K96.7Very high95.7Very high85 Ų8544.9 Ų44.937%0.3722%0.223SC..THydrogen-bonded Turntrans-73-15.617667.8179.6-175.1178.60115.1L270 E296 S313 S314 N319L270-K298 HydrophobicContact CD1-CB 4.11Å; E296-K298 PolarHBondContact O-N 3Å; K298-S313 CarbonylContact O-C 3.55Å; K298-S313 WeakPolarHBondContact O-CA 3.4Å; K298-S313 WeakPolarHBondContact O-CB 3.4Å; K298-S314 WeakPolarHBondContact CB-OG 3.36Å; K298-S314 PolarHBondContact O-N 3.04Å; K298-N319 PolarHBondContact N-OD1 3.48Å; K298-N319 VanDerWaalsContact N-OD1 3.09Å
299H98.1Very high96Very high70 Ų7043 Ų4332%0.32422%0.224SC..EExtended strand (participates in β ladder)trans-85.7134.8-176-177.875.6000110.8R295 E296 G297 G312R295-H299 CarbonylContact C-O 3.57Å; R295-H299 VanDerWaalsContact CA-O 3.29Å; R295-H299 WeakPolarHBondContact CA-O 3.33Å; R295-H299 VanDerWaalsContact CG-O 3.3Å; R295-H299 WeakPolarHBondContact CG-O 2.96Å; E296-H299 PolarHBondContact N-O 3.08Å; E296-H299 PolarHBondContact O-N 3.38Å; G297-H299 VanDerWaalsContact C-N 3.29Å; G297-H299 PolarHBondContact O-N 2.79Å; H299-G312 WeakPolarHBondContact CA-O 3.27Å; H299-G312 PolarHBondContact ND1-O 3.19Å
300A98.3Very high96.2Very high3 Ų344 Ų443%0.02523%0.231CC..EExtended strand (participates in β ladder)trans-138.1149.1179.600000111.8L266 L268 L277 K294 R295 E311 G312L266-A300 HydrophobicContact CD2-CB 3.76Å; L268-A300 HydrophobicContact CD2-CB 4.06Å; L277-A300 HydrophobicContact CD1-CB 4.11Å; L277-A300 VanDerWaalsContact CD1-O 3.31Å; L277-A300 WeakPolarHBondContact CD1-O 3.32Å; K294-A300 CarbonylContact O-C 3.53Å; K294-A300 VanDerWaalsContact O-CA 3.24Å; K294-A300 WeakPolarHBondContact O-CA 3.3Å; R295-A300 HydrophobicContact CB-CB 4.42Å; R295-A300 HydrophobicContact CG-CB 4.27Å; A300-E311 VanDerWaalsContact O-CA 3.29Å; A300-E311 WeakPolarHBondContact O-CA 3.22Å; A300-G312 PolarHBondContact N-O 2.79Å; A300-G312 PolarHBondContact O-N 2.85Å
301I98.3Very high96.3Very high51 Ų5148 Ų4826%0.26225%0.252SS..EExtended strand (participates in β ladder)trans-126.7125.7176.6-56.1174.4000107.3V293 K294 T309 V310 E311V293-I301 WeakPolarHBondContact CA-O 2.89Å; K294-I301 HydrophobicContact CB-CB 4.38Å; K294-I301 PolarHBondContact N-O 2.95Å; K294-I301 PolarHBondContact O-N 3.36Å; I301-T309 HydrophobicContact CG2-CG2 3.52Å; I301-V310 WeakPolarHBondContact CA-O 3.23Å; I301-E311 HydrophobicContact CG1-CB 4.1Å
302L98.6Very high96.3Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-109.2123.5169.9167.668.4000108.1V264 L266 L277 T279 V291 V293 T309 V310V264-L302 HydrophobicContact CG1-CD1 4.01Å; V264-L302 HydrophobicContact CG1-CD2 4.21Å; L266-L302 HydrophobicContact CB-CB 4.35Å; L266-L302 HydrophobicContact CB-CD2 4.15Å; L277-L302 HydrophobicContact CB-CB 4.41Å; T279-L302 HydrophobicContact CG2-CD2 4.12Å; T279-L302 HydrophobicContact CG2-CG 4.47Å; V291-L302 HydrophobicContact CG1-CD1 3.81Å; V293-L302 HydrophobicContact CG2-CD1 3.85Å; L302-T309 WeakPolarHBondContact O-CA 3.41Å; L302-V310 HydrophobicContact CB-CG2 3.87Å; L302-V310 HydrophobicContact CD2-CG2 4.05Å; L302-V310 HydrophobicContact CG-CG2 4.2Å; L302-V310 PolarHBondContact N-O 2.86Å; L302-V310 PolarHBondContact O-N 3.04Å
303S97.8Very high96.3Very high11 Ų1150.4 Ų50.48%0.07728%0.275CS..EExtended strand (participates in β ladder)trans-124.8135.3176.3-169.30000111Q292 D308 T309Q292-S303 PolarHBondContact N-O 3.06Å; Q292-S303 PolarHBondContact O-N 3.48Å; S303-D308 CarbonylContact C-O 3.48Å; S303-D308 WeakPolarHBondContact CA-O 3.49Å; S303-T309 PolarHBondContact OG-OG1 2.92Å
304V97.8Very high96.1Very high0 Ų050.5 Ų50.50%028%0.276CS..EExtended strand (participates in β ladder)trans-123.3128.5173.3-1720000110.1V264 T279 Y283 H289 R290 V291 L306 A307 D308V264-V304 HydrophobicContact CB-CG2 3.92Å; V264-V304 HydrophobicContact CG1-CG2 4.09Å; V264-V304 HydrophobicContact CG2-CG2 4.01Å; T279-V304 HydrophobicContact CG2-CB 4.34Å; T279-V304 HydrophobicContact CG2-CG2 3.63Å; Y283-V304 HydrophobicContact CD1-CG1 3.5Å; Y283-V304 HydrophobicContact CD2-CG1 4.11Å; Y283-V304 HydrophobicContact CE1-CB 4.03Å; Y283-V304 HydrophobicContact CE1-CG1 3.33Å; Y283-V304 HydrophobicContact CE2-CB 4.04Å; Y283-V304 HydrophobicContact CE2-CG1 3.98Å; Y283-V304 HydrophobicContact CE2-CG2 4.46Å; Y283-V304 HydrophobicContact CG-CG1 3.89Å; H289-V304 HydrophobicContact CB-CG1 4.19Å; R290-V304 CarbonylContact O-C 3.57Å; R290-V304 VanDerWaalsContact O-CA 3.3Å; R290-V304 WeakPolarHBondContact O-CA 3.24Å; V291-V304 HydrophobicContact CG2-CG2 4.25Å; V304-L306 PolarHBondContact O-N 3.34Å; V304-L306 VanDerWaalsContact O-N 3.07Å; V304-A307 PolarHBondContact O-N 2.83Å; V304-D308 PolarHBondContact N-O 2.82Å; V304-D308 PolarHBondContact O-N 2.93Å; V304-D308 VanDerWaalsContact O-N 3.13Å
305D93.6Very high96Very high62 Ų6248.7 Ų48.733%0.33227%0.273SS..THydrogen-bonded Turntrans52.526.8-177.4-62.9-23.4000114.3H289 R290 A307H289-D305 VanDerWaalsContact CA-OD1 3.3Å; H289-D305 WeakPolarHBondContact CA-OD1 3.21Å; H289-D305 IonicContact CE1-OD2 2.69Å; H289-D305 IonicContact CG-OD2 3.85Å; H289-D305 IonicContact ND1-OD1 2.7Å; H289-D305 IonicContact ND1-OD2 3.66Å; H289-D305 PolarHBondContact ND1-OD2 3.21Å; R290-D305 PolarHBondContact N-OD1 3.39Å; R290-D305 PolarHBondContact O-N 3.02Å; D305-A307 PolarHBondContact O-N 2.56Å
306L86.2Confident95.9Very high126 Ų12650.4 Ų50.466%0.6629%0.294SS*.THydrogen-bonded Turntrans57.214.3-174-55.2172.7000113.9R290 V304R290-L306 VanDerWaalsContact NH1-CD2 3.34Å; V304-L306 PolarHBondContact O-N 3.34Å; V304-L306 VanDerWaalsContact O-N 3.07Å
307A84.6Confident95.7Very high62 Ų6249.1 Ų49.151%0.51230%0.299SS..THydrogen-bonded Turntrans-115.3-54.3-172.200000111.7V304 D305 T309V304-A307 PolarHBondContact O-N 2.83Å; D305-A307 PolarHBondContact O-N 2.56Å; A307-T309 PolarHBondContact O-N 3.07Å
308D94.4Very high95.6Very high17 Ų1752.4 Ų52.49%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-88.4111.4172.5-76.56.8000108.6T279 P280 R281 Y283 S303 V304T279-D308 HydrophobicContact CG2-CB 4.21Å; P280-D308 WeakPolarHBondContact CD-OD2 3.43Å; P280-D308 HydrophobicContact CG-CB 4.39Å; P280-D308 WeakPolarHBondContact CG-OD2 3.47Å; R281-D308 VanDerWaalsContact CB-OD2 3.24Å; R281-D308 WeakPolarHBondContact CB-OD2 3.15Å; R281-D308 WeakPolarHBondContact CG-OD2 3.13Å; R281-D308 IonicContact CZ-OD1 3.31Å; R281-D308 VanDerWaalsContact CZ-OD1 3.31Å; R281-D308 PolarHBondContact N-OD2 2.68Å; R281-D308 VanDerWaalsContact N-OD2 3.13Å; R281-D308 VanDerWaalsContact NE-CG 3.33Å; R281-D308 IonicContact NE-OD1 2.76Å; R281-D308 PolarHBondContact NE-OD1 2.68Å; R281-D308 IonicContact NE-OD2 3.28Å; R281-D308 PolarHBondContact NE-OD2 2.93Å; R281-D308 IonicContact NH2-OD1 3.15Å; R281-D308 PolarHBondContact NH2-OD1 2.8Å; R281-D308 VanDerWaalsContact NH2-OD1 3.15Å; Y283-D308 WeakPolarHBondContact CE2-OD2 3.2Å; Y283-D308 VanDerWaalsContact OH-CB 3.25Å; Y283-D308 WeakPolarHBondContact OH-CB 3.33Å; Y283-D308 PolarHBondContact OH-OD1 2.76Å; Y283-D308 PolarHBondContact OH-OD2 2.61Å; S303-D308 CarbonylContact C-O 3.48Å; S303-D308 WeakPolarHBondContact CA-O 3.49Å; V304-D308 PolarHBondContact N-O 2.82Å; V304-D308 PolarHBondContact O-N 2.93Å; V304-D308 VanDerWaalsContact O-N 3.13Å
309T96.9Very high95.6Very high81 Ų8152.3 Ų52.350%0.49732%0.317SS..EExtended strand (participates in β ladder)trans-120.8125.6173.7-57.50000109.4I301 L302 S303 A307I301-T309 HydrophobicContact CG2-CG2 3.52Å; L302-T309 WeakPolarHBondContact O-CA 3.41Å; S303-T309 PolarHBondContact OG-OG1 2.92Å; A307-T309 PolarHBondContact O-N 3.07Å
310V98Very high95.5Very high33 Ų3352.1 Ų52.120%0.232%0.316CS..EExtended strand (participates in β ladder)trans-127.5139.4176.4-66.40000109.1L277 I301 L302L277-V310 HydrophobicContact CB-CG2 3.83Å; I301-V310 WeakPolarHBondContact CA-O 3.23Å; L302-V310 HydrophobicContact CB-CG2 3.87Å; L302-V310 HydrophobicContact CD2-CG2 4.05Å; L302-V310 HydrophobicContact CG-CG2 4.2Å; L302-V310 PolarHBondContact N-O 2.86Å; L302-V310 PolarHBondContact O-N 3.04Å
311E97.9Very high95.5Very high134 Ų13452 Ų5263%0.62632%0.315SS*.EExtended strand (participates in β ladder)trans-129.4157.1-177.164-179.9-157.900110.9A300 I301A300-E311 VanDerWaalsContact O-CA 3.29Å; A300-E311 WeakPolarHBondContact O-CA 3.22Å; I301-E311 HydrophobicContact CG1-CB 4.1Å
312G97.5Very high95.4Very high22 Ų2253.1 Ų53.123%0.22732%0.319CS..EExtended strand (participates in β ladder)trans178.5-165.6174.400000112H299 A300H299-G312 WeakPolarHBondContact CA-O 3.27Å; H299-G312 PolarHBondContact ND1-O 3.19Å; A300-G312 PolarHBondContact N-O 2.79Å; A300-G312 PolarHBondContact O-N 2.85Å
313S97.2Very high95.2Very high54 Ų5453.5 Ų53.538%0.37832%0.321SS..EExtended strand (participates in β ladder)trans-143.4148.1-179.3-58.90000112.7A275 K298A275-S313 WeakPolarHBondContact CB-O 3.45Å; K298-S313 CarbonylContact O-C 3.55Å; K298-S313 WeakPolarHBondContact O-CA 3.4Å; K298-S313 WeakPolarHBondContact O-CB 3.4Å
314S96.2Very high94.9Very high3 Ų355.6 Ų55.62%0.02133%0.334CS..  trans-66.7144.9168.457.90000110.6L270 K298L270-S314 WeakPolarHBondContact CD1-OG 3.32Å; K298-S314 WeakPolarHBondContact CB-OG 3.36Å; K298-S314 PolarHBondContact O-N 3.04Å
315P95.8Very high94.7Very high57 Ų5761.2 Ų61.237%0.3736%0.364SS..SBendtrans-67.2158.8177.329.1-37.3000112.6S272 G273S272-P315 PolarHBondContact OG-O 3.09Å; G273-P315 VanDerWaalsContact C-CG 3.42Å; G273-P315 VanDerWaalsContact O-CD 3.27Å; G273-P315 WeakPolarHBondContact O-CD 3.2Å; G273-P315 VanDerWaalsContact O-CG 3.31Å; G273-P315 WeakPolarHBondContact O-CG 3.41Å
316G94.5Very high94.7Very high45 Ų4560 Ų6046%0.46436%0.358SS..SBendtrans87.6-165.7178.700000114.5
317S94Very high95.2Very high103 Ų10355.4 Ų55.472%0.7233%0.333SS*.SBendtrans-105.7-6.8-175.254.70000114.1
318L96.2Very high95.8Very high81 Ų8154 Ų5442%0.42432%0.315SS..  trans-75137.9-178.5-59.5176.2000110.5L270L270-L318 HydrophobicContact CB-CB 4.19Å; L270-L318 WeakPolarHBondContact CD1-O 3.21Å; L270-L318 VanDerWaalsContact O-CB 3.22Å; L270-L318 WeakPolarHBondContact O-CB 3.48Å; L270-L318 WeakPolarHBondContact O-CD1 3.15Å
319N96Very high95.9Very high83 Ų8354.9 Ų54.944%0.44432%0.321SS..  trans-122.9-10.2-179.1-70.8-51.8000113.3R295 K298R295-N319 PolarHBondContact NH1-O 3.24Å; R295-N319 VanDerWaalsContact NH1-O 3.16Å; K298-N319 PolarHBondContact N-OD1 3.48Å; K298-N319 VanDerWaalsContact N-OD1 3.09Å
320H96.1Very high95.8Very high66 Ų6651.9 Ų51.931%0.30631%0.306SS..  trans-96.9133.8-176.8-158.686.5000109.6R227 E322R227-H320 WeakPolarHBondContact CB-CE1 3.27Å; R227-H320 VanDerWaalsContact CD-NE2 3.27Å; R227-H320 WeakPolarHBondContact CD-NE2 3.03Å; R227-H320 WeakPolarHBondContact CG-NE2 3.4Å; R227-H320 WeakPolarHBondContact O-CA 3.28Å; H320-E322 IonicContact CD2-OE1 3.37Å; H320-E322 PolarHBondContact CD2-OE1 2.74Å; H320-E322 IonicContact NE2-OE1 3.88Å
321L97Very high95.7Very high0 Ų051 Ų510%030%0.303CS..  trans-96.8112.3172.1179.874.4000108.7R227 I248 D253 L255 L270 V323R227-L321 WeakPolarHBondContact CG-O 3.29Å; R227-L321 PolarHBondContact O-N 3.1Å; I248-L321 HydrophobicContact CG2-CD2 4.15Å; D253-L321 HydrophobicContact CB-CD1 3.97Å; L255-L321 HydrophobicContact CB-CD1 4.45Å; L255-L321 HydrophobicContact CB-CD2 3.88Å; L255-L321 HydrophobicContact CD1-CD2 4.43Å; L270-L321 HydrophobicContact CD2-CB 3.72Å; L270-L321 HydrophobicContact CD2-CD1 3.78Å; L270-L321 HydrophobicContact CD2-CG 4.36Å; L321-V323 HydrophobicContact CD2-CG1 3.61Å; L321-V323 HydrophobicContact CG-CG1 3.7Å; L321-V323 PolarHBondContact O-N 3Å
322E96.1Very high95.5Very high75 Ų7545.8 Ų45.835%0.3528%0.281SS..  trans-68.5129.6168.9-68.9-62147.800110.4G249 K250 D253 H320G249-E322 CarbonylContact C-O 3.51Å; K250-E322 HydrophobicContact CB-CB 4.18Å; K250-E322 PolarHBondContact N-O 3.07Å; D253-E322 HydrophobicContact CB-CB 3.91Å; D253-E322 PolarHBondContact OD2-N 2.76Å; H320-E322 IonicContact CD2-OE1 3.37Å; H320-E322 PolarHBondContact CD2-OE1 2.74Å; H320-E322 IonicContact NE2-OE1 3.88Å
323V94.4Very high95.2Very high8 Ų845.6 Ų45.65%0.04828%0.276CS..  trans-136.7153.3-174.8-63.80000111.7P226 R227 I248 L321P226-V323 HydrophobicContact CG-CB 4.48Å; P226-V323 HydrophobicContact CG-CG1 3.96Å; P226-V323 HydrophobicContact CG-CG2 4.06Å; R227-V323 HydrophobicContact CG-CG2 4.09Å; I248-V323 HydrophobicContact CD1-CB 4.18Å; I248-V323 HydrophobicContact CD1-CG1 3.92Å; I248-V323 HydrophobicContact CG1-CB 4.17Å; I248-V323 HydrophobicContact CG1-CG1 3.87Å; L321-V323 HydrophobicContact CD2-CG1 3.61Å; L321-V323 HydrophobicContact CG-CG1 3.7Å; L321-V323 PolarHBondContact O-N 3Å
324T92.5Very high94.6Very high55 Ų5552.1 Ų52.134%0.33729%0.293SS..  trans-83.1-178.5165.4630000111R221 K250 T326R221-T324 PolarHBondContact NE-O 2.78Å; K250-T324 HydrophobicContact CB-CG2 4.24Å; K250-T324 HydrophobicContact CG-CG2 4.3Å; T324-T326 PolarHBondContact O-N 3.5Å; T324-T326 PolarHBondContact OG1-N 3.33Å; T324-T326 PolarHBondContact OG1-O 2.97Å
325D93.2Very high94.2Very high118 Ų11859.5 Ų59.563%0.63133%0.328SS*.SBendtrans-80-0.2175.1-66.3-33.3000113.5R221R221-D325 WeakPolarHBondContact CB-O 3.37Å; R221-D325 PolarHBondContact N-O 2.75Å; R221-D325 IonicContact NH2-OD1 3.22Å; R221-D325 PolarHBondContact NH2-OD1 2.82Å
326T94.7Very high93.7Very high36 Ų3658.9 Ų58.922%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-127.2155.6-179.3570000112.3V218 L219 T324V218-T326 HydrophobicContact CG1-CG2 3.88Å; L219-T326 CarbonylContact O-C 3.51Å; L219-T326 WeakPolarHBondContact O-CA 3.42Å; L219-T326 WeakPolarHBondContact O-CB 3.31Å; T324-T326 PolarHBondContact O-N 3.5Å; T324-T326 PolarHBondContact OG1-N 3.33Å; T324-T326 PolarHBondContact OG1-O 2.97Å
327F95.9Very high93Very high30 Ų3060.7 Ų60.713%0.13232%0.321CS..EExtended strand (participates in β ladder)trans-131161.8166.164.7-87.1000109.7L219 W224 F246 Y247 I248 V329L219-F327 HydrophobicContact CB-CD1 4.08Å; L219-F327 HydrophobicContact CB-CD2 4.14Å; L219-F327 HydrophobicContact CB-CE1 3.56Å; L219-F327 HydrophobicContact CB-CE2 3.64Å; L219-F327 HydrophobicContact CB-CG 4.36Å; L219-F327 HydrophobicContact CB-CZ 3.33Å; L219-F327 HydrophobicContact CD1-CD2 4.3Å; L219-F327 HydrophobicContact CD1-CE2 3.83Å; L219-F327 HydrophobicContact CD1-CZ 4.33Å; L219-F327 HydrophobicContact CD2-CE2 4.02Å; L219-F327 HydrophobicContact CD2-CZ 3.81Å; L219-F327 HydrophobicContact CG-CE2 4.03Å; L219-F327 HydrophobicContact CG-CZ 4.01Å; L219-F327 PolarHBondContact N-O 2.92Å; L219-F327 PolarHBondContact O-N 2.79Å; W224-F327 HydrophobicContact CE3-CD1 4.4Å; W224-F327 HydrophobicContact CE3-CE1 4.34Å; W224-F327 HydrophobicContact CZ3-CD1 4.06Å; W224-F327 HydrophobicContact CZ3-CE1 4.24Å; W224-F327 HydrophobicContact CZ3-CG 4.42Å; F246-F327 HydrophobicContact CD2-CD2 4.13Å; F246-F327 HydrophobicContact CE2-CB 4.29Å; F246-F327 AromaticContact CE2-CD2 3.43Å; F246-F327 HydrophobicContact CE2-CD2 3.43Å; F246-F327 VanDerWaalsContact CE2-CD2 3.43Å; F246-F327 AromaticContact CE2-CE2 3.95Å; F246-F327 HydrophobicContact CE2-CE2 3.95Å; F246-F327 HydrophobicContact CE2-CG 4.06Å; F246-F327 HydrophobicContact CZ-CB 4.23Å; F246-F327 HydrophobicContact CZ-CD2 4.17Å; F246-F327 HydrophobicContact CZ-CG 4.36Å; Y247-F327 WeakPolarHBondContact O-CA 3.13Å; Y247-F327 WeakPolarHBondContact O-CB 3.48Å; I248-F327 HydrophobicContact CB-CB 3.89Å; I248-F327 HydrophobicContact CD1-CB 4.02Å; I248-F327 HydrophobicContact CG1-CB 3.91Å; F327-V329 HydrophobicContact CD2-CG2 4.19Å; F327-V329 HydrophobicContact CE2-CG2 4.08Å
328Y96.8Very high92Very high32 Ų3258.2 Ų58.213%0.12530%0.302CS..EExtended strand (participates in β ladder)trans-119.7143.9-172.7-59.5-100.2000111.1Y216 A217 V218 F246 Y247 G331 V332 P333 V336Y216-Y328 AromaticContact CD2-CD1 3.82Å; Y216-Y328 HydrophobicContact CD2-CD1 3.82Å; Y216-Y328 HydrophobicContact CD2-CE1 4.22Å; Y216-Y328 HydrophobicContact CE2-CD1 4.2Å; Y216-Y328 HydrophobicContact CE2-CE1 4.12Å; Y216-Y328 HydrophobicContact CG-CD1 4.45Å; A217-Y328 VanDerWaalsContact O-CA 3.31Å; A217-Y328 WeakPolarHBondContact O-CA 3.19Å; V218-Y328 HydrophobicContact CB-CE1 4.43Å; V218-Y328 HydrophobicContact CG1-CE1 4.13Å; V218-Y328 HydrophobicContact CG2-CD1 3.83Å; V218-Y328 HydrophobicContact CG2-CE1 3.62Å; F246-Y328 CarbonylContact C-O 3.55Å; F246-Y328 WeakPolarHBondContact CA-O 3.32Å; Y247-Y328 HydrophobicContact CD1-CD2 4.04Å; Y247-Y328 PolarHBondContact N-O 2.93Å; Y247-Y328 PolarHBondContact O-N 3.14Å; Y328-G331 VanDerWaalsContact CB-O 3.32Å; Y328-G331 WeakPolarHBondContact CB-O 3.4Å; Y328-V332 HydrophobicContact CD1-CG1 4.27Å; Y328-V332 HydrophobicContact CD2-CG1 4.1Å; Y328-V332 HydrophobicContact CG-CG1 3.77Å; Y328-P333 HydrophobicContact CD1-CG 4.46Å; Y328-P333 HydrophobicContact CE1-CG 3.7Å; Y328-V336 HydrophobicContact CD2-CG1 4.43Å; Y328-V336 HydrophobicContact CE2-CG1 3.96Å; Y328-V336 HydrophobicContact CE2-CG2 4.23Å; Y328-V336 WeakPolarHBondContact OH-CG2 3.45Å
329V96.3Very high90.7Very high36 Ų3660.5 Ų60.522%0.21832%0.322CS..EExtended strand (participates in β ladder)trans-127.4132.7177.8175.50000109.4I209 L211 Y216 A217 L219 M245 F246 F327 G331I209-V329 HydrophobicContact CD1-CG1 4.49Å; L211-V329 HydrophobicContact CD1-CG1 4.48Å; Y216-V329 WeakPolarHBondContact CA-O 3.49Å; A217-V329 HydrophobicContact CB-CB 4.34Å; A217-V329 PolarHBondContact N-O 2.8Å; A217-V329 PolarHBondContact O-N 3.11Å; L219-V329 HydrophobicContact CD1-CB 4.21Å; L219-V329 HydrophobicContact CD1-CG2 3.73Å; M245-V329 VanDerWaalsContact O-CA 3.31Å; M245-V329 WeakPolarHBondContact O-CA 3.1Å; F246-V329 HydrophobicContact CD2-CG2 4.46Å; F327-V329 HydrophobicContact CD2-CG2 4.19Å; F327-V329 HydrophobicContact CE2-CG2 4.08Å; V329-G331 VanDerWaalsContact C-N 3.28Å; V329-G331 PolarHBondContact O-N 2.62Å
330G95.4Very high88.9Confident18 Ų1869.7 Ų69.719%0.18636%0.358CS..SBendtrans82.3-7.8175.500000116.8L211 L244 M245L211-G330 VanDerWaalsContact CD1-CA 3.5Å; L244-G330 CarbonylContact O-C 3.5Å; L244-G330 WeakPolarHBondContact O-CA 3.04Å; M245-G330 PolarHBondContact O-N 2.99Å
331G95.6Very high88.6Confident14 Ų1469.9 Ų69.914%0.14436%0.361CS..  trans165179.6-17700000110.5Y216 Y328 V329Y216-G331 VanDerWaalsContact CB-C 3.4Å; Y216-G331 WeakPolarHBondContact CB-O 3.42Å; Y328-G331 VanDerWaalsContact CB-O 3.32Å; Y328-G331 WeakPolarHBondContact CB-O 3.4Å; V329-G331 VanDerWaalsContact C-N 3.28Å; V329-G331 PolarHBondContact O-N 2.62Å
332V93.5Very high88.1Confident26 Ų2673.5 Ų73.516%0.15838%0.38CS..  trans-142153.1173.4-73.40000109.5L244 Y247 Y328 V336 L337L244-V332 HydrophobicContact CD2-CB 4.36Å; L244-V332 HydrophobicContact CD2-CG1 3.81Å; L244-V332 HydrophobicContact CD2-CG2 3.85Å; Y247-V332 HydrophobicContact CD1-CG1 3.73Å; Y247-V332 HydrophobicContact CD2-CG1 4.26Å; Y247-V332 HydrophobicContact CE1-CG1 4.4Å; Y247-V332 HydrophobicContact CG-CG1 3.65Å; Y328-V332 HydrophobicContact CD1-CG1 4.27Å; Y328-V332 HydrophobicContact CD2-CG1 4.1Å; Y328-V332 HydrophobicContact CG-CG1 3.77Å; V332-V336 HydrophobicContact CB-CB 4.45Å; V332-V336 HydrophobicContact CB-CG1 4.41Å; V332-V336 HydrophobicContact CG1-CG1 4.33Å; V332-L337 HydrophobicContact CG2-CD1 4.03Å; V332-L337 HydrophobicContact CG2-CD2 3.56Å; V332-L337 HydrophobicContact CG2-CG 3.6Å
333P91.6Very high87.7Confident17 Ų1773.4 Ų73.411%0.1138%0.381CS..  trans-61.4150.1165.28.9-6.1000110.6Y216 Y328 E335 V336Y216-P333 HydrophobicContact CE1-CB 3.95Å; Y216-P333 HydrophobicContact CE1-CG 3.98Å; Y216-P333 HydrophobicContact CE2-CG 4.01Å; Y216-P333 WeakPolarHBondContact OH-CG 3.31Å; Y328-P333 HydrophobicContact CD1-CG 4.46Å; Y328-P333 HydrophobicContact CE1-CG 3.7Å; P333-E335 WeakPolarHBondContact CB-OE2 3.47Å; P333-E335 PolarHBondContact O-N 2.91Å; P333-V336 HydrophobicContact CB-CG2 4.46Å; P333-V336 HydrophobicContact CG-CB 4.33Å; P333-V336 HydrophobicContact CG-CG2 3.69Å; P333-V336 PolarHBondContact O-N 3.03Å; P333-V336 VanDerWaalsContact O-N 3.14Å
334Y85.9Confident87.3Confident192 Ų19277.3 Ų77.375%0.75340%0.401SS*.G310 helixtrans-59.7-32.4-177.8179.3-99.3000111.9V336 L337Y334-V336 PolarHBondContact O-N 2.79Å; Y334-L337 PolarHBondContact O-N 3Å
335E85.9Confident86.9Confident158 Ų15878.7 Ų78.774%0.73841%0.405SS*.G310 helixtrans-70.2-16.6-177.8-54.276.7-164.100113.6P333P333-E335 WeakPolarHBondContact CB-OE2 3.47Å; P333-E335 PolarHBondContact O-N 2.91Å
336V86.2Confident86.5Confident43 Ų4376.1 Ų76.126%0.26139%0.39SS..G310 helixtrans-89.8-21-178.7169.40000112.2Y247 Y328 V332 P333 Y334Y247-V336 HydrophobicContact CD1-CG1 4.13Å; Y247-V336 HydrophobicContact CE1-CG1 3.45Å; Y247-V336 VanDerWaalsContact CE1-CG1 3.45Å; Y247-V336 PolarHBondContact OH-O 3.47Å; Y328-V336 HydrophobicContact CD2-CG1 4.43Å; Y328-V336 HydrophobicContact CE2-CG1 3.96Å; Y328-V336 HydrophobicContact CE2-CG2 4.23Å; Y328-V336 WeakPolarHBondContact OH-CG2 3.45Å; V332-V336 HydrophobicContact CB-CB 4.45Å; V332-V336 HydrophobicContact CB-CG1 4.41Å; V332-V336 HydrophobicContact CG1-CG1 4.33Å; P333-V336 HydrophobicContact CB-CG2 4.46Å; P333-V336 HydrophobicContact CG-CB 4.33Å; P333-V336 HydrophobicContact CG-CG2 3.69Å; P333-V336 PolarHBondContact O-N 3.03Å; P333-V336 VanDerWaalsContact O-N 3.14Å; Y334-V336 PolarHBondContact O-N 2.79Å
337L79.9Confident85.9Confident83 Ų8378.9 Ų78.944%0.43540%0.402SS..SBendtrans-73.3140.9178.8-71.2172.9000110.4Y247 V332 Y334Y247-L337 HydrophobicContact CE2-CD2 4.47Å; V332-L337 HydrophobicContact CG2-CD1 4.03Å; V332-L337 HydrophobicContact CG2-CD2 3.56Å; V332-L337 HydrophobicContact CG2-CG 3.6Å; Y334-L337 PolarHBondContact O-N 3Å
338P73.5Confident85.2Confident51 Ų5182.7 Ų82.733%0.33142%0.423SS..PPolyproline II helixtrans-57.4148.1170.2-16.526.5000110.5I254 K340I254-P338 HydrophobicContact CD1-CG 3.32Å; P338-K340 PolarHBondContact O-N 3.32Å
339P68.1Low84.2Confident129 Ų12986.9 Ų86.984%0.83845%0.448SS*.PPolyproline II helixtrans-55.3139.2169.322.4-30.2000110.1
340K58.6Low83.1Confident276 Ų27691.5 Ų91.5100%1.247%0.468SS*.  trans-61.50-178.6-78.8-173.1178.2178.70113.6P338P338-K340 PolarHBondContact O-N 3.32Å

Retrieved 340 of 340 residues in 318.3 ms (Link to these results)

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