A0A077ZFK8_TRITR Loading...

WD40 and CAF1C H4-bd domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 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
1M61.4Low75.7Confident204 Ų204122.9 Ų122.9100%1.00560%0.602SS**  0-46.60-74.1-172.8-155.700112.2F3 Y4 K5M1-F3 PolarHBondContact O-N 3.05Å; M1-Y4 PolarHBondContact O-N 3.07Å; M1-K5 PolarHBondContact O-N 3.49Å; M1-K5 VanDerWaalsContact O-N 3.12Å
2A72.3Confident76.8Confident80 Ų80116.8 Ų116.866%0.66159%0.586SS**Hα-helixtrans-53.8-53.2178.100000113.4Y4 K5 E6A2-Y4 VanDerWaalsContact C-N 3.27Å; A2-Y4 PolarHBondContact O-N 2.77Å; A2-K5 WeakPolarHBondContact O-CB 3.41Å; A2-K5 PolarHBondContact O-N 3.05Å; A2-E6 PolarHBondContact O-N 2.82Å
3F70.5Confident77.8Confident145 Ų145108.8 Ų108.864%0.63655%0.547SS*.Hα-helixtrans-56.6-35.2177.7-174.4-105.1000114.4M1 L7M1-F3 PolarHBondContact O-N 3.05Å; F3-L7 HydrophobicContact CD1-CD1 3.81Å; F3-L7 HydrophobicContact CD1-CG 4.49Å; F3-L7 HydrophobicContact CE1-CD1 3.38Å; F3-L7 HydrophobicContact CE1-CG 4.16Å; F3-L7 HydrophobicContact CZ-CD1 3.91Å; F3-L7 HydrophobicContact CZ-CG 4.28Å; F3-L7 WeakPolarHBondContact O-CG 3.37Å; F3-L7 PolarHBondContact O-N 3.2Å
4Y67.3Low78.6Confident172 Ų172106.4 Ų106.468%0.67554%0.536SS*.Hα-helixtrans-72.1-39.8177.2-171.5-88.8000111.6M1 A2 E6 L7 T8M1-Y4 PolarHBondContact O-N 3.07Å; A2-Y4 VanDerWaalsContact C-N 3.27Å; A2-Y4 PolarHBondContact O-N 2.77Å; Y4-E6 VanDerWaalsContact C-N 3.34Å; Y4-L7 PolarHBondContact O-N 3.43Å; Y4-T8 HydrophobicContact CD1-CG2 4.12Å; Y4-T8 HydrophobicContact CE1-CG2 3.72Å; Y4-T8 PolarHBondContact O-N 2.95Å; Y4-T8 PolarHBondContact O-OG1 2.69Å
5K71.6Confident79.4Confident146 Ų146106.1 Ų106.164%0.63553%0.532SS*.Hα-helixtrans-61-45.4173.9-73-174.9173.9-172.10110.8M1 A2 L7 T8 T9M1-K5 PolarHBondContact O-N 3.49Å; M1-K5 VanDerWaalsContact O-N 3.12Å; A2-K5 WeakPolarHBondContact O-CB 3.41Å; A2-K5 PolarHBondContact O-N 3.05Å; K5-L7 PolarHBondContact O-N 2.75Å; K5-T8 WeakPolarHBondContact CA-OG1 3.43Å; K5-T8 PolarHBondContact O-N 3.06Å; K5-T8 PolarHBondContact O-OG1 2.77Å; K5-T9 PolarHBondContact O-N 3.18Å; K5-T9 PolarHBondContact O-OG1 3.16Å
6E76.3Confident80Confident121 Ų121104.4 Ų104.457%0.56552%0.522SS*.Hα-helixtrans-57.8-48.3176.5-170.7178.7179.300111.8A2 Y4 T8 T9 V10A2-E6 PolarHBondContact O-N 2.82Å; Y4-E6 VanDerWaalsContact C-N 3.34Å; E6-T8 VanDerWaalsContact C-N 3.33Å; E6-T8 PolarHBondContact O-N 2.77Å; E6-T9 PolarHBondContact O-N 3.49Å; E6-V10 WeakPolarHBondContact O-CG2 3.03Å; E6-V10 PolarHBondContact O-N 2.96Å
7L76Confident80.5Confident78 Ų78101.4 Ų101.441%0.40850%0.504SS..Hα-helixtrans-60.6-38.5175.4-76.9171.5000113.5F3 Y4 K5 R11F3-L7 HydrophobicContact CD1-CD1 3.81Å; F3-L7 HydrophobicContact CD1-CG 4.49Å; F3-L7 HydrophobicContact CE1-CD1 3.38Å; F3-L7 HydrophobicContact CE1-CG 4.16Å; F3-L7 HydrophobicContact CZ-CD1 3.91Å; F3-L7 HydrophobicContact CZ-CG 4.28Å; F3-L7 WeakPolarHBondContact O-CG 3.37Å; F3-L7 PolarHBondContact O-N 3.2Å; Y4-L7 PolarHBondContact O-N 3.43Å; K5-L7 PolarHBondContact O-N 2.75Å; L7-R11 WeakPolarHBondContact O-CG 3.14Å; L7-R11 PolarHBondContact O-N 3.36Å; L7-R11 VanDerWaalsContact O-N 3.16Å
8T79.6Confident81Confident65 Ų65101.4 Ų101.440%0.39950%0.501SS..Hα-helixtrans-68-39.2175.747.70000111.9Y4 K5 E6 R11 A12Y4-T8 HydrophobicContact CD1-CG2 4.12Å; Y4-T8 HydrophobicContact CE1-CG2 3.72Å; Y4-T8 PolarHBondContact O-N 2.95Å; Y4-T8 PolarHBondContact O-OG1 2.69Å; K5-T8 WeakPolarHBondContact CA-OG1 3.43Å; K5-T8 PolarHBondContact O-N 3.06Å; K5-T8 PolarHBondContact O-OG1 2.77Å; E6-T8 VanDerWaalsContact C-N 3.33Å; E6-T8 PolarHBondContact O-N 2.77Å; T8-R11 PolarHBondContact O-N 3.37Å; T8-A12 PolarHBondContact O-N 3.14Å
9T84.4Confident81.3Confident77 Ų77100.8 Ų100.847%0.47250%0.499SS..Hα-helixtrans-63.6-50.3176.1-56.40000110.6K5 E6 R11 A12 V13K5-T9 PolarHBondContact O-N 3.18Å; K5-T9 PolarHBondContact O-OG1 3.16Å; E6-T9 PolarHBondContact O-N 3.49Å; T9-R11 PolarHBondContact O-N 3.26Å; T9-A12 PolarHBondContact O-N 3.03Å; T9-V13 HydrophobicContact CG2-CG2 4.29Å; T9-V13 VanDerWaalsContact O-CG2 3.31Å; T9-V13 WeakPolarHBondContact O-CG2 3.22Å; T9-V13 PolarHBondContact O-N 2.96Å
10V86.7Confident81.6Confident75 Ų7596.5 Ų96.546%0.45548%0.476SS..Hα-helixtrans-57.5-38.5178.7172.20000111.8E6 N14E6-V10 WeakPolarHBondContact O-CG2 3.03Å; E6-V10 PolarHBondContact O-N 2.96Å; V10-N14 WeakPolarHBondContact O-CB 3.48Å; V10-N14 PolarHBondContact O-N 2.87Å; V10-N14 VanDerWaalsContact O-N 3.09Å; V10-N14 PolarHBondContact O-ND2 3.32Å
11R87Confident81.8Confident189 Ų18996 Ų9671%0.71347%0.471SS*.Hα-helixtrans-65.9-45.1175.1-76179178.7-172.1-0.1112.6L7 T8 T9 N14 E15L7-R11 WeakPolarHBondContact O-CG 3.14Å; L7-R11 PolarHBondContact O-N 3.36Å; L7-R11 VanDerWaalsContact O-N 3.16Å; T8-R11 PolarHBondContact O-N 3.37Å; T9-R11 PolarHBondContact O-N 3.26Å; R11-N14 PolarHBondContact O-N 3.01Å; R11-E15 WeakPolarHBondContact O-CG 3.22Å; R11-E15 PolarHBondContact O-N 3.25Å; R11-E15 VanDerWaalsContact O-N 3.08Å
12A89.1Confident83Confident49 Ų4994.7 Ų94.741%0.40546%0.455SS..Hα-helixtrans-61.3-46.317800000111.3T8 T9 N14 E15 E16T8-A12 PolarHBondContact O-N 3.14Å; T9-A12 PolarHBondContact O-N 3.03Å; A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 3.29Å; A12-E15 PolarHBondContact O-N 2.83Å; A12-E16 WeakPolarHBondContact O-CG 3.33Å; A12-E16 PolarHBondContact O-N 2.79Å
13V89.5Confident83.5Confident14 Ų1495.4 Ų95.49%0.08545%0.445CS..Hα-helixtrans-56.8-45.9176.9173.80000111.6T9 E15 E16 Y17 T376T9-V13 HydrophobicContact CG2-CG2 4.29Å; T9-V13 VanDerWaalsContact O-CG2 3.31Å; T9-V13 WeakPolarHBondContact O-CG2 3.22Å; T9-V13 PolarHBondContact O-N 2.96Å; V13-E15 PolarHBondContact O-N 3.4Å; V13-E16 PolarHBondContact O-N 2.98Å; V13-Y17 WeakPolarHBondContact O-CB 3.03Å; V13-Y17 PolarHBondContact O-N 2.88Å; V13-T376 HydrophobicContact CG1-CG2 3.88Å
14N89.5Confident84.1Confident74 Ų7488.6 Ų88.640%0.39642%0.415SS..Hα-helixtrans-66.2-35.9179.1-77.8-37.8000113.2V10 R11 A12 K18V10-N14 WeakPolarHBondContact O-CB 3.48Å; V10-N14 PolarHBondContact O-N 2.87Å; V10-N14 VanDerWaalsContact O-N 3.09Å; V10-N14 PolarHBondContact O-ND2 3.32Å; R11-N14 PolarHBondContact O-N 3.01Å; A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 3.29Å; N14-K18 VanDerWaalsContact O-CG 3.29Å; N14-K18 WeakPolarHBondContact O-CG 3.12Å; N14-K18 PolarHBondContact O-N 2.75Å; N14-K18 VanDerWaalsContact O-N 3.12Å
15E89.7Confident84.6Confident102 Ų10281.6 Ų81.648%0.47739%0.39SS..Hα-helixtrans-71.1-42.1175.9-70.3-57.3136.700111.7R11 A12 V13 Y17 K18 I19R11-E15 WeakPolarHBondContact O-CG 3.22Å; R11-E15 PolarHBondContact O-N 3.25Å; R11-E15 VanDerWaalsContact O-N 3.08Å; A12-E15 PolarHBondContact O-N 2.83Å; V13-E15 PolarHBondContact O-N 3.4Å; E15-Y17 VanDerWaalsContact C-N 3.34Å; E15-Y17 PolarHBondContact O-N 2.85Å; E15-K18 PolarHBondContact O-N 3.46Å; E15-K18 IonicContact OE1-NZ 3.81Å; E15-K18 PolarHBondContact OE1-NZ 3.02Å; E15-I19 WeakPolarHBondContact O-CG1 3.43Å; E15-I19 PolarHBondContact O-N 3.23Å; E15-I19 VanDerWaalsContact O-N 3.07Å
16E88.7Confident84.9Confident79 Ų7978.2 Ų78.237%0.36938%0.376SS..Hα-helixtrans-58-46.1172.2-73.2173.1-173.600111.6A12 V13 K18 I19 W20 R326 R327A12-E16 WeakPolarHBondContact O-CG 3.33Å; A12-E16 PolarHBondContact O-N 2.79Å; V13-E16 PolarHBondContact O-N 2.98Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 3.04Å; E16-I19 WeakPolarHBondContact O-CB 3.5Å; E16-I19 PolarHBondContact O-N 2.75Å; E16-I19 VanDerWaalsContact O-N 3.12Å; E16-W20 PolarHBondContact O-N 2.73Å; E16-R326 IonicContact OE2-NH2 3.53Å; E16-R326 PolarHBondContact OE2-NH2 3.18Å; E16-R327 IonicContact OE2-CZ 2.83Å; E16-R327 IonicContact OE2-NH2 3.43Å; E16-R327 PolarHBondContact OE2-NH2 3.33Å
17Y89.3Confident85.1Confident53 Ų5374 Ų7421%0.20836%0.357CS..Hα-helixtrans-60.8-41.3178.6-179.4-101.2000112.1V13 E15 I19 W20 K21 G374 T376V13-Y17 WeakPolarHBondContact O-CB 3.03Å; V13-Y17 PolarHBondContact O-N 2.88Å; E15-Y17 VanDerWaalsContact C-N 3.34Å; E15-Y17 PolarHBondContact O-N 2.85Å; Y17-I19 VanDerWaalsContact C-N 3.32Å; Y17-I19 PolarHBondContact O-N 2.9Å; Y17-W20 AromaticContact CD2-CE3 3.86Å; Y17-W20 HydrophobicContact CD2-CE3 3.86Å; Y17-W20 HydrophobicContact CD2-CZ3 4.13Å; Y17-W20 AromaticContact CE2-CE3 3.69Å; Y17-W20 HydrophobicContact CE2-CE3 3.69Å; Y17-W20 AromaticContact CE2-CZ3 3.47Å; Y17-W20 HydrophobicContact CE2-CZ3 3.47Å; Y17-W20 VanDerWaalsContact CE2-CZ3 3.47Å; Y17-W20 PolarHBondContact O-N 2.96Å; Y17-K21 HydrophobicContact CE1-CD 4.39Å; Y17-K21 VanDerWaalsContact O-CB 3.25Å; Y17-K21 WeakPolarHBondContact O-CB 3.1Å; Y17-K21 PolarHBondContact O-N 2.79Å; Y17-G374 VanDerWaalsContact CE2-O 3.28Å; Y17-G374 WeakPolarHBondContact CE2-O 3.45Å; Y17-T376 HydrophobicContact CD2-CG2 3.74Å; Y17-T376 HydrophobicContact CE2-CG2 4.41Å; Y17-T376 HydrophobicContact CG-CG2 3.86Å
18K88.3Confident85.6Confident103 Ų10370.3 Ų70.345%0.44834%0.337SS..Hα-helixtrans-62.6-38.5174.4-73171.1-168.2170.30112.3N14 E15 E16 R22N14-K18 VanDerWaalsContact O-CG 3.29Å; N14-K18 WeakPolarHBondContact O-CG 3.12Å; N14-K18 PolarHBondContact O-N 2.75Å; N14-K18 VanDerWaalsContact O-N 3.12Å; E15-K18 PolarHBondContact O-N 3.46Å; E15-K18 IonicContact OE1-NZ 3.81Å; E15-K18 PolarHBondContact OE1-NZ 3.02Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 3.04Å; K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 3.33Å
19I87Confident85.8Confident90 Ų9070 Ų7046%0.46233%0.333SS..Hα-helixtrans-67.1-50.2176.8-66.3165.4000109.8E15 E16 Y17 K21 R22 H23E15-I19 WeakPolarHBondContact O-CG1 3.43Å; E15-I19 PolarHBondContact O-N 3.23Å; E15-I19 VanDerWaalsContact O-N 3.07Å; E16-I19 WeakPolarHBondContact O-CB 3.5Å; E16-I19 PolarHBondContact O-N 2.75Å; E16-I19 VanDerWaalsContact O-N 3.12Å; Y17-I19 VanDerWaalsContact C-N 3.32Å; Y17-I19 PolarHBondContact O-N 2.9Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 3.22Å; I19-R22 WeakPolarHBondContact O-CB 3.33Å; I19-R22 PolarHBondContact O-N 3.08Å; I19-R22 VanDerWaalsContact O-N 3.1Å; I19-H23 PolarHBondContact O-N 2.96Å
20W88.4Confident85.9Confident13 Ų1366.7 Ų66.75%0.04931%0.312CS..Hα-helixtrans-53.9-46.8176.3169.381.3000111.4E16 Y17 R22 H23 V24 M27 Y28 L31 A373 G374E16-W20 PolarHBondContact O-N 2.73Å; Y17-W20 AromaticContact CD2-CE3 3.86Å; Y17-W20 HydrophobicContact CD2-CE3 3.86Å; Y17-W20 HydrophobicContact CD2-CZ3 4.13Å; Y17-W20 AromaticContact CE2-CE3 3.69Å; Y17-W20 HydrophobicContact CE2-CE3 3.69Å; Y17-W20 AromaticContact CE2-CZ3 3.47Å; Y17-W20 HydrophobicContact CE2-CZ3 3.47Å; Y17-W20 VanDerWaalsContact CE2-CZ3 3.47Å; Y17-W20 PolarHBondContact O-N 2.96Å; W20-R22 VanDerWaalsContact C-N 3.25Å; W20-R22 PolarHBondContact O-N 3.15Å; W20-H23 WeakPolarHBondContact O-CA 3.24Å; W20-H23 PolarHBondContact O-N 3.36Å; W20-V24 HydrophobicContact CD2-CG2 4.1Å; W20-V24 HydrophobicContact CE3-CG2 4.15Å; W20-V24 HydrophobicContact CH2-CG2 3.95Å; W20-V24 HydrophobicContact CZ2-CG2 3.85Å; W20-V24 HydrophobicContact CZ3-CG2 4.08Å; W20-V24 PolarHBondContact O-N 3.35Å; W20-M27 HydrophobicContact CG-CE 4.5Å; W20-Y28 AromaticContact CE2-CE2 3.91Å; W20-Y28 AromaticContact CZ2-CE2 3.86Å; W20-Y28 HydrophobicContact CZ2-CE2 3.86Å; W20-Y28 AromaticContact NE1-CE2 3.53Å; W20-Y28 AromaticContact NE1-CZ 3.67Å; W20-Y28 PolarHBondContact NE1-OH 3.23Å; W20-L31 HydrophobicContact CH2-CD1 4.31Å; W20-L31 HydrophobicContact CH2-CD2 3.54Å; W20-L31 HydrophobicContact CZ2-CD2 3.99Å; W20-L31 HydrophobicContact CZ3-CD2 4.45Å; W20-A373 HydrophobicContact CB-CB 4.45Å; W20-A373 HydrophobicContact CG-CB 4.17Å; W20-G374 VanDerWaalsContact CE2-CA 3.46Å; W20-G374 VanDerWaalsContact CH2-CA 3.44Å
21K86.2Confident86Confident87 Ų8763.1 Ų63.138%0.37829%0.291SS..Hα-helixtrans-57.4-34.9179.2-172.4175.9179.4178.10113.2Y17 I19 H23 F98Y17-K21 HydrophobicContact CE1-CD 4.39Å; Y17-K21 VanDerWaalsContact O-CB 3.25Å; Y17-K21 WeakPolarHBondContact O-CB 3.1Å; Y17-K21 PolarHBondContact O-N 2.79Å; I19-K21 VanDerWaalsContact C-N 3.29Å; I19-K21 PolarHBondContact O-N 3.22Å; K21-H23 PolarHBondContact O-N 3.03Å; K21-F98 HydrophobicContact CD-CE1 4.35Å; K21-F98 HydrophobicContact CD-CZ 4.35Å
22R84.6Confident86.2Confident177 Ų17754.4 Ų54.467%0.66826%0.258SS*.Hα-helixtrans-70.5-19.4175.5-70173.2-177.71762.7113.3K18 I19 W20K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 3.33Å; I19-R22 WeakPolarHBondContact O-CB 3.33Å; I19-R22 PolarHBondContact O-N 3.08Å; I19-R22 VanDerWaalsContact O-N 3.1Å; W20-R22 VanDerWaalsContact C-N 3.25Å; W20-R22 PolarHBondContact O-N 3.15Å
23H82.9Confident86.3Confident94 Ų9453 Ų5344%0.43524%0.244SC..Hα-helixtrans-102.8-5.5-178.4-61.6161.1000113.8I19 W20 K21 T25 F26 M27I19-H23 PolarHBondContact O-N 2.96Å; W20-H23 WeakPolarHBondContact O-CA 3.24Å; W20-H23 PolarHBondContact O-N 3.36Å; K21-H23 PolarHBondContact O-N 3.03Å; H23-T25 VanDerWaalsContact C-N 3.25Å; H23-T25 PolarHBondContact O-N 2.96Å; H23-T25 VanDerWaalsContact O-N 3.16Å; H23-F26 HydrophobicContact CB-CD2 4.43Å; H23-F26 PolarHBondContact O-N 3.31Å; H23-M27 HydrophobicContact CB-CE 3.69Å; H23-M27 HydrophobicContact CB-SD 4.24Å; H23-M27 PolarHBondContact O-N 3.02Å
24V84Confident86.4Confident2 Ų255.3 Ų55.31%0.01225%0.254CS..Hα-helixtrans-50.7-43.3-176.4163.90000112.5W20 F26 M27 Y28 L31W20-V24 HydrophobicContact CD2-CG2 4.1Å; W20-V24 HydrophobicContact CE3-CG2 4.15Å; W20-V24 HydrophobicContact CH2-CG2 3.95Å; W20-V24 HydrophobicContact CZ2-CG2 3.85Å; W20-V24 HydrophobicContact CZ3-CG2 4.08Å; W20-V24 PolarHBondContact O-N 3.35Å; V24-F26 PolarHBondContact O-N 2.84Å; V24-F26 VanDerWaalsContact O-N 3.11Å; V24-M27 PolarHBondContact O-N 3.07Å; V24-M27 VanDerWaalsContact O-N 3.1Å; V24-Y28 HydrophobicContact CB-CD2 4.24Å; V24-Y28 HydrophobicContact CG1-CD2 3.98Å; V24-Y28 HydrophobicContact CG2-CD2 4.29Å; V24-Y28 HydrophobicContact CG2-CE2 4.27Å; V24-Y28 WeakPolarHBondContact O-CD2 3.36Å; V24-Y28 PolarHBondContact O-N 3.15Å; V24-L31 HydrophobicContact CB-CD2 4.49Å; V24-L31 HydrophobicContact CG1-CB 4.43Å; V24-L31 HydrophobicContact CG1-CD2 3.64Å; V24-L31 HydrophobicContact CG2-CD2 3.95Å
25T78.3Confident86.6Confident25 Ų2554.9 Ų54.915%0.15326%0.256CS..Hα-helixtrans-56.9-26.5178.445.70000114.6H23 Y88H23-T25 VanDerWaalsContact C-N 3.25Å; H23-T25 PolarHBondContact O-N 2.96Å; H23-T25 VanDerWaalsContact O-N 3.16Å; T25-Y88 HydrophobicContact CG2-CD2 4.16Å; T25-Y88 HydrophobicContact CG2-CE1 3.86Å; T25-Y88 HydrophobicContact CG2-CE2 3.3Å; T25-Y88 WeakPolarHBondContact CG2-OH 3.14Å
26F77.7Confident86.8Confident76 Ų7650.7 Ų50.733%0.33324%0.237SC..Hα-helixtrans-94.6-16.4-176.8-51.9-70.5000112.4H23 V24 F359H23-F26 HydrophobicContact CB-CD2 4.43Å; H23-F26 PolarHBondContact O-N 3.31Å; V24-F26 PolarHBondContact O-N 2.84Å; V24-F26 VanDerWaalsContact O-N 3.11Å; F26-F359 HydrophobicContact CD1-CD2 4.08Å; F26-F359 HydrophobicContact CD1-CE2 4.16Å; F26-F359 AromaticContact CE1-CD2 3.91Å; F26-F359 HydrophobicContact CE1-CD2 3.91Å; F26-F359 AromaticContact CE1-CE2 3.74Å; F26-F359 HydrophobicContact CE1-CE2 3.74Å
27M80.7Confident87.1Confident33 Ų3353.8 Ų53.816%0.16325%0.251CS..Hα-helixtrans-112.2-22.3-168.3-61.2-171.1-59.500113.6W20 H23 V24 I355 F370 V407W20-M27 HydrophobicContact CG-CE 4.5Å; H23-M27 HydrophobicContact CB-CE 3.69Å; H23-M27 HydrophobicContact CB-SD 4.24Å; H23-M27 PolarHBondContact O-N 3.02Å; V24-M27 PolarHBondContact O-N 3.07Å; V24-M27 VanDerWaalsContact O-N 3.1Å; M27-I355 HydrophobicContact CB-CD1 3.97Å; M27-I355 HydrophobicContact CG-CD1 4.01Å; M27-F370 HydrophobicContact CB-CE2 4.18Å; M27-V407 PolarHBondContact O-N 2.86Å; M27-V407 VanDerWaalsContact O-N 3.16Å
28Y85.1Confident87.4Confident0 Ų054.7 Ų54.70%026%0.255CS..EExtended strand (participates in β ladder)trans-129.5134.2-175.1-54.3-85.1000112.1W20 V24 M30 F370 H372 W404 Q405W20-Y28 AromaticContact CE2-CE2 3.91Å; W20-Y28 AromaticContact CZ2-CE2 3.86Å; W20-Y28 HydrophobicContact CZ2-CE2 3.86Å; W20-Y28 AromaticContact NE1-CE2 3.53Å; W20-Y28 AromaticContact NE1-CZ 3.67Å; W20-Y28 PolarHBondContact NE1-OH 3.23Å; V24-Y28 HydrophobicContact CB-CD2 4.24Å; V24-Y28 HydrophobicContact CG1-CD2 3.98Å; V24-Y28 HydrophobicContact CG2-CD2 4.29Å; V24-Y28 HydrophobicContact CG2-CE2 4.27Å; V24-Y28 WeakPolarHBondContact O-CD2 3.36Å; V24-Y28 PolarHBondContact O-N 3.15Å; Y28-M30 VanDerWaalsContact C-N 3.34Å; Y28-F370 HydrophobicContact CD1-CE2 4.38Å; Y28-F370 HydrophobicContact CD1-CZ 4.17Å; Y28-F370 AromaticContact CE1-CE2 3.86Å; Y28-F370 HydrophobicContact CE1-CE2 3.86Å; Y28-F370 AromaticContact CE1-CZ 3.48Å; Y28-F370 HydrophobicContact CE1-CZ 3.48Å; Y28-F370 VanDerWaalsContact CE1-CZ 3.48Å; Y28-F370 AromaticContact CZ-CZ 4Å; Y28-H372 AromaticContact CE1-ND1 3.73Å; Y28-H372 AromaticContact CZ-ND1 3.73Å; Y28-H372 PolarHBondContact OH-ND1 2.74Å; Y28-H372 VanDerWaalsContact OH-ND1 3.14Å; Y28-W404 HydrophobicContact CD1-CB 4.22Å; Y28-W404 AromaticContact CD1-CE3 3.88Å; Y28-W404 HydrophobicContact CD1-CE3 3.88Å; Y28-W404 HydrophobicContact CE1-CB 4.48Å; Y28-W404 HydrophobicContact CE1-CD2 4.12Å; Y28-W404 AromaticContact CE1-CE3 3.58Å; Y28-W404 HydrophobicContact CE1-CE3 3.58Å; Y28-W404 HydrophobicContact CE1-CZ3 4.01Å; Y28-Q405 CarbonylContact C-O 3.49Å; Y28-Q405 VanDerWaalsContact CA-O 3.26Å; Y28-Q405 WeakPolarHBondContact CA-O 3.5Å; Y28-Q405 WeakPolarHBondContact CB-O 3.43Å
29D84.2Confident87.8Confident58 Ų5850.6 Ų50.631%0.3124%0.238SC..EExtended strand (participates in β ladder)trans-75.8-29.9164.9-73.1-27.2000110.9Q358 Q405D29-Q358 PolarHBondContact OD1-NE2 3.09Å; D29-Q405 PolarHBondContact N-O 2.83Å
30M86.3Confident88.3Confident7 Ų746.3 Ų46.33%0.03422%0.216CC..EExtended strand (participates in β ladder)trans-143.5138.7179.3-165.5-173.867.100111.7Y28 I32 L76 P77 M391 I403 W404 Q405Y28-M30 VanDerWaalsContact C-N 3.34Å; M30-I32 HydrophobicContact CE-CD1 4.44Å; M30-I32 HydrophobicContact CG-CG1 4.48Å; M30-I32 HydrophobicContact SD-CD1 4.2Å; M30-L76 HydrophobicContact CE-CD2 3.89Å; M30-L76 HydrophobicContact SD-CD2 3.95Å; M30-P77 HydrophobicContact CG-CG 4.33Å; M30-P77 WeakPolarHBondContact SD-CD 3.4Å; M30-P77 HydrophobicContact SD-CG 3.96Å; M30-M391 HydrophobicContact CE-CE 3.38Å; M30-M391 HydrophobicContact CE-CG 4.08Å; M30-M391 HydrophobicContact CE-SD 3.7Å; M30-M391 HydrophobicContact SD-CE 4.09Å; M30-I403 HydrophobicContact CE-CG2 3.73Å; M30-W404 CarbonylContact O-C 3.51Å; M30-W404 WeakPolarHBondContact O-CA 3.18Å; M30-W404 WeakPolarHBondContact O-CB 3.35Å; M30-Q405 HydrophobicContact CB-CB 3.96Å; M30-Q405 PolarHBondContact N-O 3.38Å; M30-Q405 PolarHBondContact O-N 2.82Å
31L90Very high88.8Confident1 Ų147 Ų471%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-149.9118.4171.4175.866.6000109.4W20 V24 F98 L99 I403 W404W20-L31 HydrophobicContact CH2-CD1 4.31Å; W20-L31 HydrophobicContact CH2-CD2 3.54Å; W20-L31 HydrophobicContact CZ2-CD2 3.99Å; W20-L31 HydrophobicContact CZ3-CD2 4.45Å; V24-L31 HydrophobicContact CB-CD2 4.49Å; V24-L31 HydrophobicContact CG1-CB 4.43Å; V24-L31 HydrophobicContact CG1-CD2 3.64Å; V24-L31 HydrophobicContact CG2-CD2 3.95Å; L31-F98 HydrophobicContact CD2-CB 4.4Å; L31-L99 HydrophobicContact CB-CD1 4.26Å; L31-I403 CarbonylContact C-O 3.58Å; L31-W404 HydrophobicContact CD1-CB 3.73Å; L31-W404 HydrophobicContact CD1-CG 4.46Å
32I90.4Very high89.3Confident5 Ų542.8 Ų42.83%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-117.9124.7172.7-53.6169.5000106.4M30 L76 T103 V105 Q402 I403M30-I32 HydrophobicContact CE-CD1 4.44Å; M30-I32 HydrophobicContact CG-CG1 4.48Å; M30-I32 HydrophobicContact SD-CD1 4.2Å; I32-L76 HydrophobicContact CD1-CD2 4.38Å; I32-T103 HydrophobicContact CD1-CG2 3.76Å; I32-T103 HydrophobicContact CG1-CG2 4.31Å; I32-V105 HydrophobicContact CG2-CG2 4.33Å; I32-Q402 VanDerWaalsContact O-CA 3.3Å; I32-Q402 WeakPolarHBondContact O-CA 3.18Å; I32-I403 HydrophobicContact CB-CB 4.23Å; I32-I403 HydrophobicContact CD1-CB 4.42Å; I32-I403 HydrophobicContact CD1-CG2 4.47Å; I32-I403 PolarHBondContact N-O 3.32Å; I32-I403 PolarHBondContact O-N 3.3Å
33T91.5Very high90Very high19 Ų1934.4 Ų34.412%0.11717%0.171CC..EExtended strand (participates in β ladder)trans-113.2122173.9-54.70000108.3I400 Q402T33-I400 HydrophobicContact CG2-CG2 3.92Å; T33-Q402 HydrophobicContact CG2-CG 4.34Å
34H91.7Very high90.8Very high63 Ų6331.2 Ų31.229%0.29216%0.156SC..EExtended strand (participates in β ladder)trans-124.9127-178.5-172.479.1000109.7M401H34-M401 HydrophobicContact CB-CE 4.05Å; H34-M401 PolarHBondContact N-O 2.87Å; H34-M401 PolarHBondContact O-N 3.34Å
35C94Very high91.4Very high66 Ų6631.2 Ų31.245%0.44616%0.156SC..EExtended strand (participates in β ladder)trans-88.1112.2175.2-171.40000108.6F95 I400C35-F95 HydrophobicContact CB-CD1 4.35Å; C35-I400 HydrophobicContact CB-CD1 4.42Å
36L94.4Very high92.3Very high14 Ų1430.2 Ų30.27%0.07315%0.15CC..  trans-73.9153.6175.6-62.9171.1000110.3W38 I58 L72 N399 M401L36-W38 WeakPolarHBondContact CB-O 3.26Å; L36-W38 PolarHBondContact O-N 2.76Å; L36-I58 HydrophobicContact CD1-CD1 4.27Å; L36-I58 HydrophobicContact CD2-CD1 3.75Å; L36-L72 HydrophobicContact CD2-CD1 4.45Å; L36-N399 WeakPolarHBondContact CB-O 3.43Å; L36-N399 PolarHBondContact N-O 3.09Å; L36-N399 WeakPolarHBondContact O-CB 3.5Å; L36-N399 PolarHBondContact O-ND2 3.21Å; L36-M401 HydrophobicContact CD1-CB 4.05Å; L36-M401 HydrophobicContact CG-CB 4.11Å
37E93.3Very high93.2Very high143 Ų14328.5 Ų28.567%0.66815%0.147SC*.SBendtrans-61.4-39172.7-170.5179.3175.300111.2N399E37-N399 PolarHBondContact O-ND2 3.32Å; E37-N399 VanDerWaalsContact O-ND2 3.1Å
38W95.7Very high93.6Very high73 Ų7331.4 Ų31.428%0.27716%0.16SC..SBendtrans-134.8150.7178.5-64.3108.6000109.9L36 T60 T62 E65L36-W38 WeakPolarHBondContact CB-O 3.26Å; L36-W38 PolarHBondContact O-N 2.76Å; W38-T60 HydrophobicContact CB-CG2 4.29Å; W38-T62 HydrophobicContact CB-CG2 4.03Å; W38-T62 HydrophobicContact CD2-CG2 3.59Å; W38-T62 HydrophobicContact CE3-CG2 4.13Å; W38-T62 HydrophobicContact CG-CG2 3.49Å; W38-T62 VanDerWaalsContact CG-CG2 3.49Å; W38-E65 HydrophobicContact CZ2-CG 4.24Å; W38-E65 WeakPolarHBondContact CZ2-OE1 3.44Å; W38-E65 VanDerWaalsContact CZ2-OE2 3.22Å; W38-E65 WeakPolarHBondContact CZ2-OE2 3.1Å
39P97Very high93.7Very high16 Ų1636.6 Ų36.610%0.10418%0.179CC..  trans-65.1151.417827.5-29.3000110.3T60 H61 N399P39-T60 CarbonylContact O-C 3.05Å; P39-H61 WeakPolarHBondContact CD-O 3.5Å; P39-H61 HydrophobicContact CG-CB 4.27Å; P39-H61 WeakPolarHBondContact CG-O 3.42Å; P39-H61 PolarHBondContact O-N 2.87Å; P39-N399 WeakPolarHBondContact CD-OD1 3.32Å
40S98.1Very high93.7Very high0 Ų036.1 Ų36.10%018%0.179CC..  trans-112.2128.8174.4-171.70000109.5T42 G59 V395S40-T42 VanDerWaalsContact C-N 3.28Å; S40-T42 PolarHBondContact OG-N 3.14Å; S40-T42 PolarHBondContact OG-O 3.05Å; S40-G59 WeakPolarHBondContact CA-O 3.34Å; S40-G59 VanDerWaalsContact CB-O 3.24Å; S40-G59 WeakPolarHBondContact CB-O 3.29Å; S40-G59 PolarHBondContact OG-N 3.48Å; S40-G59 PolarHBondContact OG-O 3.41Å; S40-G59 VanDerWaalsContact OG-O 3.1Å; S40-V395 VanDerWaalsContact O-CG2 3.24Å; S40-V395 WeakPolarHBondContact O-CG2 3.42Å
41L97.9Very high93.4Very high27 Ų2743 Ų4314%0.14122%0.215CC..SBendtrans-83.7-7.9173-63.4176.5000112.9H61 E116 D381L41-H61 HydrophobicContact CD1-CB 4.09Å; L41-H61 HydrophobicContact CG-CB 3.94Å; L41-E116 HydrophobicContact CD1-CG 4.39Å; L41-D381 WeakPolarHBondContact O-CB 3.4Å
42T98.6Very high93.1Very high0 Ų050.1 Ų50.10%025%0.253CS..  trans-138.2146.2-174.2-174.10000110.7S40 V117 A120 R121 D381S40-T42 VanDerWaalsContact C-N 3.28Å; S40-T42 PolarHBondContact OG-N 3.14Å; S40-T42 PolarHBondContact OG-O 3.05Å; T42-V117 HydrophobicContact CG2-CB 4.49Å; T42-V117 HydrophobicContact CG2-CG1 3.88Å; T42-A120 HydrophobicContact CG2-CB 3.87Å; T42-A120 PolarHBondContact OG1-N 3.1Å; T42-A120 PolarHBondContact OG1-O 2.94Å; T42-R121 PolarHBondContact OG1-NH1 3.04Å; T42-D381 WeakPolarHBondContact CA-OD2 3.24Å
43V98.4Very high93.1Very high0 Ų050 Ų500%025%0.253CS..EExtended strand (participates in β ladder)trans-147.4136.8168.666.80000109.3M56 I57 I58 D381 F382 V395V43-M56 HydrophobicContact CG2-CE 3.2Å; V43-I57 WeakPolarHBondContact CA-O 3.44Å; V43-I58 HydrophobicContact CG2-CG2 4.11Å; V43-D381 HydrophobicContact CG1-CB 4.07Å; V43-D381 PolarHBondContact N-OD2 2.95Å; V43-F382 VanDerWaalsContact CG1-CA 3.44Å; V43-V395 HydrophobicContact CB-CG1 4.03Å; V43-V395 HydrophobicContact CB-CG2 3.97Å; V43-V395 HydrophobicContact CG1-CG1 4.49Å; V43-V395 HydrophobicContact CG1-CG2 3.97Å; V43-V395 HydrophobicContact CG2-CG1 4.29Å
44Q98.6Very high93.3Very high28 Ų2849.1 Ų49.113%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-151.1131.1172.6-163.4-177.133.800110.7M56 I57 R121 Y122 D383Q44-M56 CarbonylContact O-C 3.6Å; Q44-M56 WeakPolarHBondContact O-CA 3.32Å; Q44-I57 PolarHBondContact N-O 2.82Å; Q44-I57 PolarHBondContact O-N 2.88Å; Q44-R121 VanDerWaalsContact OE1-CA 3.24Å; Q44-Y122 VanDerWaalsContact CD-CD1 3.42Å; Q44-Y122 HydrophobicContact CG-CD1 4.18Å; Q44-Y122 HydrophobicContact CG-CE1 4.14Å; Q44-D383 WeakPolarHBondContact CA-OD2 3.27Å; Q44-D383 WeakPolarHBondContact CG-OD2 3.29Å
45W98.2Very high93.5Very high1 Ų148.2 Ų48.20%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-68.9139170.6-69.498.5000110.8D54 M56 V74 Y122 D383 H385 P386 I403W45-D54 HydrophobicContact CE3-CB 4.25Å; W45-D54 HydrophobicContact CZ3-CB 3.74Å; W45-M56 HydrophobicContact CD2-CE 4.06Å; W45-M56 HydrophobicContact CD2-CG 3.6Å; W45-M56 HydrophobicContact CD2-SD 4.03Å; W45-M56 HydrophobicContact CE3-CG 3.21Å; W45-M56 HydrophobicContact CE3-SD 3.89Å; W45-M56 HydrophobicContact CG-CG 4.37Å; W45-M56 HydrophobicContact CH2-CE 4.21Å; W45-M56 HydrophobicContact CH2-CG 3.82Å; W45-M56 HydrophobicContact CH2-SD 3.32Å; W45-M56 WeakPolarHBondContact CH2-SD 3.43Å; W45-M56 HydrophobicContact CZ2-CE 3.71Å; W45-M56 HydrophobicContact CZ2-CG 4.14Å; W45-M56 HydrophobicContact CZ2-SD 3.47Å; W45-M56 WeakPolarHBondContact CZ2-SD 3.39Å; W45-M56 HydrophobicContact CZ3-CG 3.33Å; W45-M56 HydrophobicContact CZ3-SD 3.53Å; W45-M56 VanDerWaalsContact CZ3-SD 3.53Å; W45-V74 HydrophobicContact CH2-CG1 4.43Å; W45-V74 HydrophobicContact CH2-CG2 4.42Å; W45-V74 HydrophobicContact CZ3-CB 4.38Å; W45-V74 HydrophobicContact CZ3-CG2 4.29Å; W45-Y122 VanDerWaalsContact O-CE1 3.27Å; W45-Y122 WeakPolarHBondContact O-CE1 3.4Å; W45-D383 PolarHBondContact N-OD2 3.12Å; W45-D383 PolarHBondContact NE1-O 3.32Å; W45-H385 HydrophobicContact CD2-CB 4.4Å; W45-H385 AromaticContact CD2-CD2 3.58Å; W45-H385 AromaticContact CE2-CD2 3.81Å; W45-H385 AromaticContact CE3-CD2 3.49Å; W45-H385 VanDerWaalsContact CE3-CD2 3.49Å; W45-H385 HydrophobicContact CG-CB 4.47Å; W45-H385 AromaticContact CH2-CD2 3.89Å; W45-H385 AromaticContact CZ2-CD2 3.96Å; W45-H385 AromaticContact CZ3-CD2 3.67Å; W45-P386 VanDerWaalsContact CB-CD 3.48Å; W45-P386 HydrophobicContact CB-CG 4.24Å; W45-I403 HydrophobicContact CH2-CD1 4.06Å; W45-I403 HydrophobicContact CH2-CG1 4.33Å; W45-I403 HydrophobicContact CH2-CG2 3.81Å; W45-I403 HydrophobicContact CZ2-CD1 4.5Å; W45-I403 HydrophobicContact CZ2-CG1 4.3Å; W45-I403 HydrophobicContact CZ2-CG2 3.79Å
46L97.3Very high93.6Very high4 Ų445 Ų452%0.02122%0.221CC..  trans-83.1142.2167.4-75.7171.5000110E48 R55 I57 I71 Y122 P127L46-E48 PolarHBondContact O-N 3.18Å; L46-E48 VanDerWaalsContact O-N 3.12Å; L46-R55 HydrophobicContact CB-CB 4.09Å; L46-R55 HydrophobicContact CD1-CB 3.89Å; L46-R55 HydrophobicContact CG-CB 4.49Å; L46-R55 PolarHBondContact N-O 3.45Å; L46-I57 HydrophobicContact CD1-CG1 4.36Å; L46-I57 HydrophobicContact CD2-CD1 3.79Å; L46-I57 HydrophobicContact CD2-CG1 4.12Å; L46-I57 HydrophobicContact CG-CD1 4.26Å; L46-I57 HydrophobicContact CG-CG1 4.05Å; L46-I71 HydrophobicContact CD1-CD1 4.07Å; L46-I71 HydrophobicContact CD1-CG1 4.44Å; L46-I71 HydrophobicContact CD1-CG2 4.09Å; L46-Y122 HydrophobicContact CD2-CD1 4Å; L46-Y122 HydrophobicContact CD2-CG 4.06Å; L46-P127 HydrophobicContact CD2-CB 4.24Å
47P94.8Very high93.8Very high41 Ų4144.4 Ų44.427%0.26622%0.217SC..SBendtrans-74.1-4.1-175.531.4-37000113.2Y122 P127 R387P47-Y122 HydrophobicContact CG-CD2 4.49Å; P47-Y122 HydrophobicContact CG-CE2 3.79Å; P47-P127 HydrophobicContact CG-CB 3.83Å; P47-P127 HydrophobicContact CG-CG 3.48Å; P47-P127 VanDerWaalsContact CG-CG 3.48Å; P47-R387 VanDerWaalsContact C-NH1 3.31Å; P47-R387 PolarHBondContact O-NH1 3.3Å
48E89.1Confident94Very high94 Ų9437.7 Ų37.744%0.43919%0.186SC..SBendtrans-120.9133.6-175.1-68.5-179.6175.300111.7L46 R55L46-E48 PolarHBondContact O-N 3.18Å; L46-E48 VanDerWaalsContact O-N 3.12Å; E48-R55 PolarHBondContact O-NE 3.48Å; E48-R55 PolarHBondContact O-NH2 2.81Å; E48-R55 IonicContact OE2-NH2 2.77Å
49R87.4Confident94.1Very high108 Ų10834.2 Ų34.241%0.40817%0.173SC..  trans-76.8148.8165.8-71.8-168.3171.7159.90.9110.9A53 D54 R387 E388R49-A53 VanDerWaalsContact CA-O 3.32Å; R49-A53 WeakPolarHBondContact CA-O 3.42Å; R49-D54 VanDerWaalsContact CG-OD1 3.29Å; R49-D54 WeakPolarHBondContact CG-OD1 3.42Å; R49-D54 IonicContact CZ-OD1 3.35Å; R49-D54 IonicContact CZ-OD2 2.7Å; R49-D54 IonicContact NE-OD1 3.2Å; R49-D54 PolarHBondContact NE-OD1 3.06Å; R49-D54 IonicContact NE-OD2 3.28Å; R49-D54 PolarHBondContact NE-OD2 3.48Å; R49-D54 IonicContact NH2-OD1 2.68Å; R49-D54 IonicContact NH2-OD2 3.8Å; R49-D54 PolarHBondContact NH2-OD2 2.97Å; R49-R387 VanDerWaalsContact CG-NH2 3.33Å; R49-E388 IonicContact NH2-OE1 2.77Å; R49-E388 PolarHBondContact NH2-OE1 3.19Å
50T84.3Confident94.2Very high49 Ų4933.5 Ų33.530%0.30117%0.168SC..BIsolated β-bridgetrans-136.9130.3170.4-60.10000108.5N52 A53 R55T50-N52 VanDerWaalsContact C-N 3.25Å; T50-N52 PolarHBondContact O-N 2.86Å; T50-A53 PolarHBondContact N-O 3.11Å; T50-A53 PolarHBondContact O-N 2.81Å; T50-R55 PolarHBondContact OG1-NE 2.76Å; T50-R55 PolarHBondContact OG1-NH1 2.95Å; T50-R55 PolarHBondContact OG1-NH2 3.22Å
51D81.5Confident94.1Very high151 Ų15137 Ų3781%0.80718%0.184SC*.THydrogen-bonded Turntrans50.741.8-178.6-58.4-35.5000114A53D51-A53 PolarHBondContact O-N 3.24Å
52N83Confident93.8Very high150 Ų15035.9 Ų35.980%0.80218%0.179SC*.THydrogen-bonded Turntrans63.26.3-175.2-61.7-30.1000116.2T50T50-N52 VanDerWaalsContact C-N 3.25Å; T50-N52 PolarHBondContact O-N 2.86Å
53A91.1Very high93.2Very high3 Ų341 Ų413%0.02521%0.214CC..BIsolated β-bridgetrans-95.6139.5171.100000111R49 T50 D51 N73 E75R49-A53 VanDerWaalsContact CA-O 3.32Å; R49-A53 WeakPolarHBondContact CA-O 3.42Å; T50-A53 PolarHBondContact N-O 3.11Å; T50-A53 PolarHBondContact O-N 2.81Å; D51-A53 PolarHBondContact O-N 3.24Å; A53-N73 HydrophobicContact CB-CB 3.89Å; A53-E75 HydrophobicContact CB-CG 4.46Å
54D94.4Very high92.5Very high1 Ų148.9 Ų48.91%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-74.1155.8160.7-69-71.9000108.7W45 R49 N73 V74 L76 H385 R387W45-D54 HydrophobicContact CE3-CB 4.25Å; W45-D54 HydrophobicContact CZ3-CB 3.74Å; R49-D54 VanDerWaalsContact CG-OD1 3.29Å; R49-D54 WeakPolarHBondContact CG-OD1 3.42Å; R49-D54 IonicContact CZ-OD1 3.35Å; R49-D54 IonicContact CZ-OD2 2.7Å; R49-D54 IonicContact NE-OD1 3.2Å; R49-D54 PolarHBondContact NE-OD1 3.06Å; R49-D54 IonicContact NE-OD2 3.28Å; R49-D54 PolarHBondContact NE-OD2 3.48Å; R49-D54 IonicContact NH2-OD1 2.68Å; R49-D54 IonicContact NH2-OD2 3.8Å; R49-D54 PolarHBondContact NH2-OD2 2.97Å; D54-N73 CarbonylContact O-C 3.59Å; D54-V74 PolarHBondContact N-O 3.05Å; D54-V74 PolarHBondContact O-N 3Å; D54-L76 HydrophobicContact CB-CD1 4.37Å; D54-L76 WeakPolarHBondContact OD2-CD1 3.21Å; D54-H385 IonicContact OD1-CE1 2.92Å; D54-H385 IonicContact OD1-NE2 2.87Å; D54-H385 PolarHBondContact OD1-NE2 2.94Å; D54-H385 VanDerWaalsContact OD1-NE2 3.15Å; D54-H385 IonicContact OD2-NE2 3.76Å; D54-R387 IonicContact OD1-CZ 3.8Å; D54-R387 IonicContact OD1-NE 3.83Å; D54-R387 IonicContact OD1-NH2 3.21Å; D54-R387 PolarHBondContact OD1-NH2 3.27Å
55R95.9Very high92.2Very high43 Ų4352.9 Ų52.916%0.16228%0.275CS..EExtended strand (participates in β ladder)trans-130.3146.1-173.5-62.9-176.6-66.7173.5-1111.5L46 E48 T50 I71 L72 N73L46-R55 HydrophobicContact CB-CB 4.09Å; L46-R55 HydrophobicContact CD1-CB 3.89Å; L46-R55 HydrophobicContact CG-CB 4.49Å; L46-R55 PolarHBondContact N-O 3.45Å; E48-R55 PolarHBondContact O-NE 3.48Å; E48-R55 PolarHBondContact O-NH2 2.81Å; E48-R55 IonicContact OE2-NH2 2.77Å; T50-R55 PolarHBondContact OG1-NE 2.76Å; T50-R55 PolarHBondContact OG1-NH1 2.95Å; T50-R55 PolarHBondContact OG1-NH2 3.22Å; R55-I71 HydrophobicContact CB-CG2 4.07Å; R55-I71 HydrophobicContact CG-CG2 4.49Å; R55-L72 CarbonylContact C-O 3.58Å; R55-L72 WeakPolarHBondContact CA-O 3.29Å; R55-N73 WeakPolarHBondContact CG-OD1 3.49Å
56M97Very high92Very high0 Ų056.7 Ų56.70%029%0.293CS..EExtended strand (participates in β ladder)trans-134.8138.3-178.8-61.4177.67700110.7V43 Q44 W45 I71 L72 V74 I403V43-M56 HydrophobicContact CG2-CE 3.2Å; Q44-M56 CarbonylContact O-C 3.6Å; Q44-M56 WeakPolarHBondContact O-CA 3.32Å; W45-M56 HydrophobicContact CD2-CE 4.06Å; W45-M56 HydrophobicContact CD2-CG 3.6Å; W45-M56 HydrophobicContact CD2-SD 4.03Å; W45-M56 HydrophobicContact CE3-CG 3.21Å; W45-M56 HydrophobicContact CE3-SD 3.89Å; W45-M56 HydrophobicContact CG-CG 4.37Å; W45-M56 HydrophobicContact CH2-CE 4.21Å; W45-M56 HydrophobicContact CH2-CG 3.82Å; W45-M56 HydrophobicContact CH2-SD 3.32Å; W45-M56 WeakPolarHBondContact CH2-SD 3.43Å; W45-M56 HydrophobicContact CZ2-CE 3.71Å; W45-M56 HydrophobicContact CZ2-CG 4.14Å; W45-M56 HydrophobicContact CZ2-SD 3.47Å; W45-M56 WeakPolarHBondContact CZ2-SD 3.39Å; W45-M56 HydrophobicContact CZ3-CG 3.33Å; W45-M56 HydrophobicContact CZ3-SD 3.53Å; W45-M56 VanDerWaalsContact CZ3-SD 3.53Å; M56-I71 CarbonylContact O-C 3.57Å; M56-I71 VanDerWaalsContact O-CA 3.26Å; M56-I71 WeakPolarHBondContact O-CA 3.22Å; M56-L72 PolarHBondContact N-O 2.99Å; M56-L72 PolarHBondContact O-N 3.01Å; M56-V74 HydrophobicContact CG-CG2 4.19Å; M56-V74 HydrophobicContact SD-CG2 3.86Å; M56-I403 HydrophobicContact SD-CD1 3.7Å; M56-I403 HydrophobicContact SD-CG1 4.07Å
57I98.2Very high92Very high1 Ų156.9 Ų56.91%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-84.9130.4167.6-58.4166.3000107.8V43 Q44 L46 L69 M70 A120 Y122 V130V43-I57 WeakPolarHBondContact CA-O 3.44Å; Q44-I57 PolarHBondContact N-O 2.82Å; Q44-I57 PolarHBondContact O-N 2.88Å; L46-I57 HydrophobicContact CD1-CG1 4.36Å; L46-I57 HydrophobicContact CD2-CD1 3.79Å; L46-I57 HydrophobicContact CD2-CG1 4.12Å; L46-I57 HydrophobicContact CG-CD1 4.26Å; L46-I57 HydrophobicContact CG-CG1 4.05Å; I57-L69 HydrophobicContact CG2-CD1 3.78Å; I57-M70 WeakPolarHBondContact CA-O 3.11Å; I57-A120 HydrophobicContact CG2-CB 3.66Å; I57-Y122 HydrophobicContact CD1-CD1 4.39Å; I57-V130 HydrophobicContact CD1-CG1 4.2Å; I57-V130 HydrophobicContact CD1-CG2 3.74Å; I57-V130 HydrophobicContact CG2-CG1 4.44Å
58I98.2Very high92Very high1 Ų158 Ų581%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-136.4164.3168.863.3162.7000110.2L36 V43 M70 L72 M401L36-I58 HydrophobicContact CD1-CD1 4.27Å; L36-I58 HydrophobicContact CD2-CD1 3.75Å; V43-I58 HydrophobicContact CG2-CG2 4.11Å; I58-M70 HydrophobicContact CD1-CE 3.64Å; I58-M70 HydrophobicContact CG1-CB 4.03Å; I58-M70 HydrophobicContact CG1-CE 4Å; I58-M70 PolarHBondContact N-O 3.46Å; I58-M70 PolarHBondContact O-N 2.76Å; I58-M70 VanDerWaalsContact O-O 3.14Å; I58-L72 HydrophobicContact CD1-CD1 3.6Å; I58-L72 HydrophobicContact CD1-CD2 3.97Å; I58-L72 HydrophobicContact CD1-CG 3.8Å; I58-L72 HydrophobicContact CG1-CD1 4.15Å; I58-L72 HydrophobicContact CG1-CD2 4.42Å; I58-L72 HydrophobicContact CG1-CG 3.98Å; I58-L72 HydrophobicContact CG2-CD1 4.31Å; I58-M401 HydrophobicContact CG2-SD 4.45Å
59G97.9Very high92.4Very high0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-117176.3174.100000111.9S40S40-G59 WeakPolarHBondContact CA-O 3.34Å; S40-G59 VanDerWaalsContact CB-O 3.24Å; S40-G59 WeakPolarHBondContact CB-O 3.29Å; S40-G59 PolarHBondContact OG-N 3.48Å; S40-G59 PolarHBondContact OG-O 3.41Å; S40-G59 VanDerWaalsContact OG-O 3.1Å
60T97.5Very high92.8Very high2 Ų249.2 Ų49.21%0.01226%0.258CS..  trans-114.1149.3164.564.30000110.1W38 P39 N67 Y68 M70 E116 V117W38-T60 HydrophobicContact CB-CG2 4.29Å; P39-T60 CarbonylContact O-C 3.05Å; T60-N67 PolarHBondContact O-OD1 3.13Å; T60-N67 WeakPolarHBondContact OG1-CA 3.47Å; T60-N67 WeakPolarHBondContact OG1-CB 3.49Å; T60-N67 PolarHBondContact OG1-OD1 2.92Å; T60-Y68 HydrophobicContact CG2-CD2 4.49Å; T60-Y68 PolarHBondContact N-O 2.59Å; T60-Y68 VanDerWaalsContact N-O 3.11Å; T60-Y68 PolarHBondContact OG1-N 2.99Å; T60-M70 HydrophobicContact CG2-CE 3.54Å; T60-M70 HydrophobicContact CG2-SD 4.36Å; T60-E116 WeakPolarHBondContact O-CA 3.35Å; T60-E116 WeakPolarHBondContact O-CB 3.49Å; T60-V117 PolarHBondContact O-N 2.71Å
61H96.2Very high93.4Very high72 Ų7247.2 Ų47.233%0.33325%0.245SC..  trans-124.496.3166.3175.5-164.7000108.8P39 L41 E116P39-H61 WeakPolarHBondContact CD-O 3.5Å; P39-H61 HydrophobicContact CG-CB 4.27Å; P39-H61 WeakPolarHBondContact CG-O 3.42Å; P39-H61 PolarHBondContact O-N 2.87Å; L41-H61 HydrophobicContact CD1-CB 4.09Å; L41-H61 HydrophobicContact CG-CB 3.94Å; H61-E116 HydrophobicContact CB-CB 4.1Å
62T93Very high94.1Very high4 Ų440.1 Ų40.13%0.02521%0.207CC..  trans-111.1147.7-179.878.20000110.4W38 E65 N67W38-T62 HydrophobicContact CB-CG2 4.03Å; W38-T62 HydrophobicContact CD2-CG2 3.59Å; W38-T62 HydrophobicContact CE3-CG2 4.13Å; W38-T62 HydrophobicContact CG-CG2 3.49Å; W38-T62 VanDerWaalsContact CG-CG2 3.49Å; T62-E65 HydrophobicContact CG2-CB 4.32Å; T62-E65 PolarHBondContact OG1-N 2.82Å; T62-E65 PolarHBondContact OG1-O 3.44Å; T62-N67 WeakPolarHBondContact CG2-OD1 3.18Å; T62-N67 PolarHBondContact N-OD1 3.24Å; T62-N67 PolarHBondContact OG1-ND2 3.26Å; T62-N67 PolarHBondContact OG1-OD1 3.36Å
63S84.8Confident94.7Very high107 Ų10734.9 Ų34.975%0.74818%0.179SC*.SBendtrans-80.1-36.2-178.1-48.70000114.1
64N84.8Confident94.8Very high166 Ų16634.7 Ų34.789%0.88818%0.178SC*.SBendtrans-147.515.8-175.8-70.1-61.8000112.6
65E92Very high94.6Very high113 Ų11339.1 Ų39.153%0.52820%0.198SC..SBendtrans-108.8173179.9-63.1-162.8-173.200111W38 T62 N67W38-E65 HydrophobicContact CZ2-CG 4.24Å; W38-E65 WeakPolarHBondContact CZ2-OE1 3.44Å; W38-E65 VanDerWaalsContact CZ2-OE2 3.22Å; W38-E65 WeakPolarHBondContact CZ2-OE2 3.1Å; T62-E65 HydrophobicContact CG2-CB 4.32Å; T62-E65 PolarHBondContact OG1-N 2.82Å; T62-E65 PolarHBondContact OG1-O 3.44Å; E65-N67 PolarHBondContact O-N 3.2Å
66Q94Very high94.1Very high80 Ų8038.5 Ų38.537%0.37420%0.198SC..  trans-69.7122.9174.6178.157.767.100108.8Y68 P112 H113Q66-Y68 HydrophobicContact CB-CE2 4.07Å; Q66-Y68 HydrophobicContact CG-CE1 4.01Å; Q66-Y68 HydrophobicContact CG-CE2 3.93Å; Q66-Y68 VanDerWaalsContact O-CD2 3.22Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.41Å; Q66-Y68 WeakPolarHBondContact O-CE2 3.29Å; Q66-P112 HydrophobicContact CG-CB 4.3Å; Q66-H113 PolarHBondContact NE2-O 3.25Å
67N96.2Very high93.2Very high9 Ų940 Ų405%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-81.4154.4173.2-77.1-69.7000111.6T60 T62 E65 H113 G115 E116T60-N67 PolarHBondContact O-OD1 3.13Å; T60-N67 WeakPolarHBondContact OG1-CA 3.47Å; T60-N67 WeakPolarHBondContact OG1-CB 3.49Å; T60-N67 PolarHBondContact OG1-OD1 2.92Å; T62-N67 WeakPolarHBondContact CG2-OD1 3.18Å; T62-N67 PolarHBondContact N-OD1 3.24Å; T62-N67 PolarHBondContact OG1-ND2 3.26Å; T62-N67 PolarHBondContact OG1-OD1 3.36Å; E65-N67 PolarHBondContact O-N 3.2Å; N67-H113 PolarHBondContact O-N 3.41Å; N67-G115 WeakPolarHBondContact CB-O 3.42Å; N67-E116 PolarHBondContact ND2-N 3.05Å
68Y96.3Very high91.7Very high64 Ų6446 Ų4625%0.25124%0.239SC..EExtended strand (participates in β ladder)trans-135.5141.2-178.5-61.1-88000111.5T60 Q66 I111 P112T60-Y68 HydrophobicContact CG2-CD2 4.49Å; T60-Y68 PolarHBondContact N-O 2.59Å; T60-Y68 VanDerWaalsContact N-O 3.11Å; T60-Y68 PolarHBondContact OG1-N 2.99Å; Q66-Y68 HydrophobicContact CB-CE2 4.07Å; Q66-Y68 HydrophobicContact CG-CE1 4.01Å; Q66-Y68 HydrophobicContact CG-CE2 3.93Å; Q66-Y68 VanDerWaalsContact O-CD2 3.22Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.41Å; Q66-Y68 WeakPolarHBondContact O-CE2 3.29Å; Y68-I111 VanDerWaalsContact CA-O 3.29Å; Y68-I111 WeakPolarHBondContact CA-O 3.5Å; Y68-P112 HydrophobicContact CE1-CG 4.17Å
69L97.1Very high90.1Very high1 Ų153.8 Ų53.81%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-89.7131.2157.4175.969.5000107.4I57 W109 R110 I111 V117 A120 V130 T132 F142I57-L69 HydrophobicContact CG2-CD1 3.78Å; L69-W109 HydrophobicContact CB-CZ3 4.47Å; L69-W109 HydrophobicContact CD2-CH2 4.13Å; L69-W109 HydrophobicContact CD2-CZ3 4.06Å; L69-W109 HydrophobicContact CG-CZ3 4Å; L69-R110 CarbonylContact O-C 3.46Å; L69-R110 VanDerWaalsContact O-CA 3.3Å; L69-R110 WeakPolarHBondContact O-CA 3.25Å; L69-I111 HydrophobicContact CB-CG2 3.98Å; L69-I111 HydrophobicContact CD2-CG2 4.46Å; L69-I111 PolarHBondContact N-O 3.17Å; L69-I111 PolarHBondContact O-N 2.88Å; L69-V117 HydrophobicContact CB-CG2 4.45Å; L69-V117 HydrophobicContact CD1-CG1 4.29Å; L69-A120 HydrophobicContact CD1-CB 3.76Å; L69-V130 HydrophobicContact CD1-CG1 4.47Å; L69-V130 HydrophobicContact CD2-CB 4.49Å; L69-V130 HydrophobicContact CD2-CG1 4.09Å; L69-T132 HydrophobicContact CD1-CG2 3.84Å; L69-T132 HydrophobicContact CD2-CG2 3.79Å; L69-T132 HydrophobicContact CG-CG2 4.33Å; L69-F142 HydrophobicContact CD2-CB 4.13Å; L69-F142 HydrophobicContact CD2-CD2 3.74Å; L69-F142 HydrophobicContact CD2-CE2 4.38Å; L69-F142 HydrophobicContact CD2-CG 4.02Å
70M96.4Very high87.9Confident17 Ų1763 Ų638%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-134.3151.7-172-53.7-173.1-71.500112.2I57 I58 T60 I107 W109 R110I57-M70 WeakPolarHBondContact CA-O 3.11Å; I58-M70 HydrophobicContact CD1-CE 3.64Å; I58-M70 HydrophobicContact CG1-CB 4.03Å; I58-M70 HydrophobicContact CG1-CE 4Å; I58-M70 PolarHBondContact N-O 3.46Å; I58-M70 PolarHBondContact O-N 2.76Å; I58-M70 VanDerWaalsContact O-O 3.14Å; T60-M70 HydrophobicContact CG2-CE 3.54Å; T60-M70 HydrophobicContact CG2-SD 4.36Å; M70-I107 HydrophobicContact SD-CD1 3.91Å; M70-I107 HydrophobicContact SD-CG1 4.37Å; M70-I107 HydrophobicContact SD-CG2 4.43Å; M70-W109 CarbonylContact C-O 3.6Å; M70-W109 WeakPolarHBondContact CA-O 3.1Å; M70-R110 HydrophobicContact CB-CB 4.37Å; M70-R110 HydrophobicContact CG-CB 3.74Å; M70-R110 HydrophobicContact SD-CB 4.4Å
71I96.4Very high85.7Confident6 Ų666.2 Ų66.23%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-114.7127.5165.3-62.2172.3000108L46 R55 M56 S108 W109 T144L46-I71 HydrophobicContact CD1-CD1 4.07Å; L46-I71 HydrophobicContact CD1-CG1 4.44Å; L46-I71 HydrophobicContact CD1-CG2 4.09Å; R55-I71 HydrophobicContact CB-CG2 4.07Å; R55-I71 HydrophobicContact CG-CG2 4.49Å; M56-I71 CarbonylContact O-C 3.57Å; M56-I71 VanDerWaalsContact O-CA 3.26Å; M56-I71 WeakPolarHBondContact O-CA 3.22Å; I71-S108 PolarHBondContact O-N 3.18Å; I71-S108 PolarHBondContact O-OG 2.92Å; I71-W109 HydrophobicContact CB-CB 4.21Å; I71-W109 HydrophobicContact CD1-CE3 4.13Å; I71-W109 HydrophobicContact CG1-CE3 3.98Å; I71-W109 PolarHBondContact N-O 2.99Å; I71-W109 PolarHBondContact O-N 3.31Å; I71-T144 HydrophobicContact CD1-CG2 3.59Å
72L95.8Very high83.3Confident2 Ų268.1 Ų68.11%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-94.7140.3170.7-57-175.1000109.9L36 R55 M56 I58 V105 E106 I107 M401L36-L72 HydrophobicContact CD2-CD1 4.45Å; R55-L72 CarbonylContact C-O 3.58Å; R55-L72 WeakPolarHBondContact CA-O 3.29Å; M56-L72 PolarHBondContact N-O 2.99Å; M56-L72 PolarHBondContact O-N 3.01Å; I58-L72 HydrophobicContact CD1-CD1 3.6Å; I58-L72 HydrophobicContact CD1-CD2 3.97Å; I58-L72 HydrophobicContact CD1-CG 3.8Å; I58-L72 HydrophobicContact CG1-CD1 4.15Å; I58-L72 HydrophobicContact CG1-CD2 4.42Å; I58-L72 HydrophobicContact CG1-CG 3.98Å; I58-L72 HydrophobicContact CG2-CD1 4.31Å; L72-V105 HydrophobicContact CB-CG1 4.4Å; L72-V105 HydrophobicContact CD1-CG1 3.85Å; L72-E106 CarbonylContact C-O 3.49Å; L72-E106 VanDerWaalsContact CA-O 3.31Å; L72-E106 WeakPolarHBondContact CA-O 3.23Å; L72-I107 HydrophobicContact CD2-CB 4.25Å; L72-I107 HydrophobicContact CD2-CG1 3.56Å; L72-M401 HydrophobicContact CD1-CE 3.62Å; L72-M401 HydrophobicContact CD1-SD 3.73Å
73N95Very high81.3Confident40 Ų4071.6 Ų71.621%0.21437%0.372CS..EExtended strand (participates in β ladder)trans-92.9132.6159.2-74.93.7000108.3A53 D54 R55 V105 E106 S108A53-N73 HydrophobicContact CB-CB 3.89Å; D54-N73 CarbonylContact O-C 3.59Å; R55-N73 WeakPolarHBondContact CG-OD1 3.49Å; N73-V105 WeakPolarHBondContact O-CA 3.42Å; N73-E106 PolarHBondContact N-O 3.38Å; N73-E106 PolarHBondContact O-N 3.16Å; N73-S108 WeakPolarHBondContact ND2-CB 3.36Å; N73-S108 WeakPolarHBondContact OD1-CB 3.17Å; N73-S108 PolarHBondContact OD1-OG 2.7Å
74V93.6Very high79.6Confident0 Ų070 Ų700%036%0.356CS..EExtended strand (participates in β ladder)trans-121109.9179.5-1770000107.9W45 D54 M56 L76 V105 I403W45-V74 HydrophobicContact CH2-CG1 4.43Å; W45-V74 HydrophobicContact CH2-CG2 4.42Å; W45-V74 HydrophobicContact CZ3-CB 4.38Å; W45-V74 HydrophobicContact CZ3-CG2 4.29Å; D54-V74 PolarHBondContact N-O 3.05Å; D54-V74 PolarHBondContact O-N 3Å; M56-V74 HydrophobicContact CG-CG2 4.19Å; M56-V74 HydrophobicContact SD-CG2 3.86Å; V74-L76 HydrophobicContact CG1-CD2 3.7Å; V74-L76 HydrophobicContact CG1-CG 4.37Å; V74-L76 PolarHBondContact O-N 3.39Å; V74-V105 HydrophobicContact CG1-CG2 4.43Å; V74-I403 HydrophobicContact CB-CD1 4.22Å; V74-I403 HydrophobicContact CG1-CD1 3.51Å; V74-I403 HydrophobicContact CG2-CD1 3.64Å
75E90.6Very high78Confident94 Ų9466.3 Ų66.344%0.43934%0.336SS..  trans-80.7105.7170.9-67.2-179.8-175.500108.9A53 T103 K104A53-E75 HydrophobicContact CB-CG 4.46Å; E75-T103 VanDerWaalsContact O-CB 3.25Å; E75-T103 WeakPolarHBondContact O-CB 3.3Å; E75-T103 WeakPolarHBondContact O-CG2 3.45Å; E75-K104 HydrophobicContact CB-CB 4.3Å; E75-K104 HydrophobicContact CG-CB 4.24Å; E75-K104 PolarHBondContact N-O 3.19Å
76L85.7Confident75.7Confident29 Ų2966 Ų6615%0.15234%0.342CS..PPolyproline II helixtrans-80.6148.7176-62.7-177000111.1M30 I32 D54 V74 E388 M391 I403M30-L76 HydrophobicContact CE-CD2 3.89Å; M30-L76 HydrophobicContact SD-CD2 3.95Å; I32-L76 HydrophobicContact CD1-CD2 4.38Å; D54-L76 HydrophobicContact CB-CD1 4.37Å; D54-L76 WeakPolarHBondContact OD2-CD1 3.21Å; V74-L76 HydrophobicContact CG1-CD2 3.7Å; V74-L76 HydrophobicContact CG1-CG 4.37Å; V74-L76 PolarHBondContact O-N 3.39Å; L76-E388 HydrophobicContact CD1-CG 4.46Å; L76-M391 HydrophobicContact CD1-CE 3.89Å; L76-M391 HydrophobicContact CD1-SD 3.57Å; L76-M391 VanDerWaalsContact CD1-SD 3.57Å; L76-M391 HydrophobicContact CD2-CE 4.49Å; L76-M391 HydrophobicContact CD2-SD 4.06Å; L76-I403 HydrophobicContact CD2-CG2 4.37Å
77P76.9Confident73.4Confident31 Ų3165.7 Ų65.720%0.20134%0.342CS..PPolyproline II helixtrans-64.2143175.4-8.922.7000111.4M30 K79 F101 T103M30-P77 HydrophobicContact CG-CG 4.33Å; M30-P77 WeakPolarHBondContact SD-CD 3.4Å; M30-P77 HydrophobicContact SD-CG 3.96Å; P77-K79 PolarHBondContact O-N 3.3Å; P77-F101 HydrophobicContact CB-CB 4.07Å; P77-F101 HydrophobicContact CB-CD1 3.38Å; P77-F101 HydrophobicContact CB-CD2 3.98Å; P77-F101 HydrophobicContact CB-CE1 3.66Å; P77-F101 HydrophobicContact CB-CE2 4.23Å; P77-F101 HydrophobicContact CB-CG 3.54Å; P77-F101 HydrophobicContact CB-CZ 4.08Å; P77-F101 HydrophobicContact CG-CB 3.74Å; P77-F101 HydrophobicContact CG-CD1 3.78Å; P77-F101 HydrophobicContact CG-CD2 3.4Å; P77-F101 VanDerWaalsContact CG-CD2 3.4Å; P77-F101 HydrophobicContact CG-CE1 4.18Å; P77-F101 HydrophobicContact CG-CE2 3.86Å; P77-F101 HydrophobicContact CG-CG 3.35Å; P77-F101 HydrophobicContact CG-CZ 4.21Å; P77-T103 HydrophobicContact CG-CG2 3.68Å
78N68.5Low71Confident127 Ų12768.4 Ų68.468%0.67935%0.352SS*.PPolyproline II helixtrans-67.2131.3169.6-74.7-21.6000109.3E80 T81N78-E80 PolarHBondContact O-N 3.07Å; N78-T81 HydrophobicContact CB-CG2 4.41Å; N78-T81 PolarHBondContact O-N 3.27Å; N78-T81 PolarHBondContact O-OG1 3.31Å
79K62.9Low68.2Low165 Ų16572.3 Ų72.372%0.71738%0.377SS*.THydrogen-bonded Turntrans-55.8-17.9179.5-64.6-172.8-180-177.40114.5P77 E388P77-K79 PolarHBondContact O-N 3.3Å; K79-E388 WeakPolarHBondContact CE-OE2 3.49Å; K79-E388 IonicContact NZ-OE2 3.96Å; K79-E388 PolarHBondContact NZ-OE2 3.39Å
80E52Low65.8Low194 Ų19479.9 Ų79.991%0.90741%0.414SS*.THydrogen-bonded Turntrans-86.1-6.4177.7-61.6-173.5171.400114.1N78 S82N78-E80 PolarHBondContact O-N 3.07Å; E80-S82 PolarHBondContact O-N 2.97Å
81T51.5Low63.3Low70 Ų7086.4 Ų86.443%0.42945%0.45SS..SBendtrans-74.9118.7176.449.20000110N78 F83 F101N78-T81 HydrophobicContact CB-CG2 4.41Å; N78-T81 PolarHBondContact O-N 3.27Å; N78-T81 PolarHBondContact O-OG1 3.31Å; T81-F83 PolarHBondContact O-N 2.75Å; T81-F101 VanDerWaalsContact OG1-CE1 3.29Å; T81-F101 WeakPolarHBondContact OG1-CE1 3.27Å
82S46.8Very low60.9Low111 Ų11195.2 Ų95.278%0.77649%0.491SS*.PPolyproline II helixtrans-61.3129.7178.754.30000110.7E80 D84E80-S82 PolarHBondContact O-N 2.97Å; S82-D84 PolarHBondContact O-N 2.81Å
83F50.3Low58.1Low77 Ų7798.9 Ų98.934%0.33852%0.517SS..PPolyproline II helixtrans-53.8117172.6-162.7-112.1000110.8T81 N85 L99T81-F83 PolarHBondContact O-N 2.75Å; F83-N85 VanDerWaalsContact CD1-OD1 3.26Å; F83-N85 WeakPolarHBondContact CD1-OD1 3.33Å; F83-N85 WeakPolarHBondContact CE1-OD1 3.27Å; F83-L99 HydrophobicContact CE2-CD2 3.75Å; F83-L99 HydrophobicContact CZ-CD2 4Å
84D49.2Very low55.2Low75 Ų75104.2 Ų104.240%0.40155%0.545SS..  trans-97.599.7174.5-168.9-6.3000110.5S82 T86 I87S82-D84 PolarHBondContact O-N 2.81Å; D84-T86 VanDerWaalsContact CG-OG1 3.29Å; D84-T86 PolarHBondContact O-N 2.93Å; D84-T86 WeakPolarHBondContact OD1-CB 3.46Å; D84-T86 PolarHBondContact OD1-N 3.39Å; D84-T86 PolarHBondContact OD1-OG1 3.01Å; D84-T86 PolarHBondContact OD2-OG1 3.41Å; D84-I87 HydrophobicContact CB-CD1 4.05Å
85N50Low52.6Low88 Ų88111.7 Ų111.747%0.47158%0.578SS.*G310 helixtrans-71.9-1.9176.3-86.6-38.2000114.5F83 Y88F83-N85 VanDerWaalsContact CD1-OD1 3.26Å; F83-N85 WeakPolarHBondContact CD1-OD1 3.33Å; F83-N85 WeakPolarHBondContact CE1-OD1 3.27Å; N85-Y88 WeakPolarHBondContact O-CD2 3.39Å
86T44.4Very low50.3Low105 Ų105109.7 Ų109.764%0.64458%0.582SS**G310 helixtrans-89.4-5.6-175.165.70000114D84 Y88D84-T86 VanDerWaalsContact CG-OG1 3.29Å; D84-T86 PolarHBondContact O-N 2.93Å; D84-T86 WeakPolarHBondContact OD1-CB 3.46Å; D84-T86 PolarHBondContact OD1-N 3.39Å; D84-T86 PolarHBondContact OD1-OG1 3.01Å; D84-T86 PolarHBondContact OD2-OG1 3.41Å; T86-Y88 PolarHBondContact O-N 3.45Å
87I46.3Very low48.5Very low74 Ų74109.9 Ų109.938%0.37959%0.586SS.*G310 helixtrans-83.10.1-177.1-60.8164.3000111.8D84 D89D84-I87 HydrophobicContact CB-CD1 4.05Å; I87-D89 PolarHBondContact O-N 3.42Å; I87-D89 VanDerWaalsContact O-N 3.1Å
88Y46.4Very low47.1Very low66 Ų66110.4 Ų110.426%0.25959%0.585SS.*  trans-79.732172.1-63.2-74.4000113.9T25 N85 T86 M90 L99T25-Y88 HydrophobicContact CG2-CD2 4.16Å; T25-Y88 HydrophobicContact CG2-CE1 3.86Å; T25-Y88 HydrophobicContact CG2-CE2 3.3Å; T25-Y88 WeakPolarHBondContact CG2-OH 3.14Å; N85-Y88 WeakPolarHBondContact O-CD2 3.39Å; T86-Y88 PolarHBondContact O-N 3.45Å; Y88-M90 WeakPolarHBondContact O-CG 3.16Å; Y88-M90 PolarHBondContact O-N 2.83Å; Y88-M90 VanDerWaalsContact O-N 3.1Å; Y88-L99 WeakPolarHBondContact OH-CD2 3.09Å
89D37.6Very low46.2Very low146 Ų146104.6 Ų104.678%0.78155%0.554SS**  trans-74103.4165.6-104.2-17.1000108.5I87 D91I87-D89 PolarHBondContact O-N 3.42Å; I87-D89 VanDerWaalsContact O-N 3.1Å; D89-D91 PolarHBondContact O-N 2.93Å
90M45.3Very low45.4Very low160 Ų16098.5 Ų98.579%0.78854%0.538SS*.THydrogen-bonded Turntrans-70.89.7-153.4-65.4-166.8-66.200116.8Y88Y88-M90 WeakPolarHBondContact O-CG 3.16Å; Y88-M90 PolarHBondContact O-N 2.83Å; Y88-M90 VanDerWaalsContact O-N 3.1Å
91D44.2Very low45.4Very low154 Ų15490.7 Ų90.782%0.82450%0.501SS*.THydrogen-bonded Turntrans-131-4.2-162.6-70.9-36.2000116.7D89D89-D91 PolarHBondContact O-N 2.93Å
92E45.4Very low45.7Very low191 Ų19195.5 Ų95.589%0.89352%0.524SS*.SBendtrans-133.62-167.7-71.5-161.516300119.4
93S36.8Very low46.7Very low80 Ų8091.2 Ų91.256%0.55949%0.494SS*.  trans-117.188175.157.40000113.2F95S93-F95 PolarHBondContact O-N 3.04Å
94D34.5Very low48.3Very low151 Ų15192.1 Ų92.181%0.80750%0.497SS*.  trans-60109.9157.9-83-28.3000108.8
95F39.9Very low50.2Low157 Ų15789.4 Ų89.469%0.68948%0.483SS*.SBendtrans60.6114.9167.6-59.4-90.4000117.1C35 S93C35-F95 HydrophobicContact CB-CD1 4.35Å; S93-F95 PolarHBondContact O-N 3.04Å
96G42.9Very low52.3Low52 Ų5289.7 Ų89.754%0.53648%0.482SS..SBendtrans161.6-35155.500000119.9
97C46.1Very low54.6Low34 Ų3488.6 Ų88.623%0.2347%0.471CS..  trans-170.9127.7173.7-160.70000110.5F101C97-F101 PolarHBondContact SG-O 3.27Å
98F48.4Very low56.8Low41 Ų4188 Ų8818%0.1847%0.473CS..SBendtrans-92.5-14.3-175-96.1-74000115K21 L31K21-F98 HydrophobicContact CD-CE1 4.35Å; K21-F98 HydrophobicContact CD-CZ 4.35Å; L31-F98 HydrophobicContact CD2-CB 4.4Å
99L50.4Low59Low5 Ų586.4 Ų86.43%0.02647%0.467CS..SBendtrans-118.421.4-173.6-64.7179.3000114.5L31 F83 Y88 F101L31-L99 HydrophobicContact CB-CD1 4.26Å; F83-L99 HydrophobicContact CE2-CD2 3.75Å; F83-L99 HydrophobicContact CZ-CD2 4Å; Y88-L99 WeakPolarHBondContact OH-CD2 3.09Å; L99-F101 HydrophobicContact CB-CD2 3.57Å; L99-F101 HydrophobicContact CB-CE2 3.54Å; L99-F101 HydrophobicContact CD1-CE2 4.11Å; L99-F101 PolarHBondContact O-N 3.14Å
100G44.1Very low61.7Low37 Ų3785.4 Ų85.438%0.38145%0.452SS..SBendtrans69.53.5174.900000116.2
101F53.4Low64Low31 Ų3178.3 Ų78.314%0.13642%0.417CS..  trans-78131.2171.6-54.2-61.9000109.6P77 T81 C97 L99 T103P77-F101 HydrophobicContact CB-CB 4.07Å; P77-F101 HydrophobicContact CB-CD1 3.38Å; P77-F101 HydrophobicContact CB-CD2 3.98Å; P77-F101 HydrophobicContact CB-CE1 3.66Å; P77-F101 HydrophobicContact CB-CE2 4.23Å; P77-F101 HydrophobicContact CB-CG 3.54Å; P77-F101 HydrophobicContact CB-CZ 4.08Å; P77-F101 HydrophobicContact CG-CB 3.74Å; P77-F101 HydrophobicContact CG-CD1 3.78Å; P77-F101 HydrophobicContact CG-CD2 3.4Å; P77-F101 VanDerWaalsContact CG-CD2 3.4Å; P77-F101 HydrophobicContact CG-CE1 4.18Å; P77-F101 HydrophobicContact CG-CE2 3.86Å; P77-F101 HydrophobicContact CG-CG 3.35Å; P77-F101 HydrophobicContact CG-CZ 4.21Å; T81-F101 VanDerWaalsContact OG1-CE1 3.29Å; T81-F101 WeakPolarHBondContact OG1-CE1 3.27Å; C97-F101 PolarHBondContact SG-O 3.27Å; L99-F101 HydrophobicContact CB-CD2 3.57Å; L99-F101 HydrophobicContact CB-CE2 3.54Å; L99-F101 HydrophobicContact CD1-CE2 4.11Å; L99-F101 PolarHBondContact O-N 3.14Å; F101-T103 HydrophobicContact CB-CG2 3.66Å; F101-T103 PolarHBondContact O-N 3.28Å
102N56.5Low66.4Low170 Ų17071.4 Ų71.491%0.90938%0.381SS*.  trans-7571.1162.4-88.5-21.2000107.9
103T69.1Low68.8Low22 Ų2262.4 Ų62.414%0.13534%0.339CS..  trans-84.5136.3171.751.70000108.9I32 E75 P77 F101I32-T103 HydrophobicContact CD1-CG2 3.76Å; I32-T103 HydrophobicContact CG1-CG2 4.31Å; E75-T103 VanDerWaalsContact O-CB 3.25Å; E75-T103 WeakPolarHBondContact O-CB 3.3Å; E75-T103 WeakPolarHBondContact O-CG2 3.45Å; P77-T103 HydrophobicContact CG-CG2 3.68Å; F101-T103 HydrophobicContact CB-CG2 3.66Å; F101-T103 PolarHBondContact O-N 3.28Å
104K82.8Confident71.5Confident95 Ų9562.3 Ų62.341%0.41333%0.33SS..  trans-113.2124.5-178.6-148.3-168.6-167.9-158.20108.4E75 E106E75-K104 HydrophobicContact CB-CB 4.3Å; E75-K104 HydrophobicContact CG-CB 4.24Å; E75-K104 PolarHBondContact N-O 3.19Å; K104-E106 VanDerWaalsContact CD-CD 3.48Å; K104-E106 HydrophobicContact CD-CG 3.86Å; K104-E106 WeakPolarHBondContact CE-OE1 3.21Å; K104-E106 WeakPolarHBondContact CE-OE2 3.14Å; K104-E106 HydrophobicContact CG-CG 3.84Å; K104-E106 IonicContact NZ-OE1 3.16Å; K104-E106 PolarHBondContact NZ-OE1 3.02Å; K104-E106 IonicContact NZ-OE2 3.06Å; K104-E106 PolarHBondContact NZ-OE2 3.36Å
105V90.5Very high74.3Confident18 Ų1856.4 Ų56.411%0.10931%0.305CS..EExtended strand (participates in β ladder)trans-112.1115.4170.4179.70000107I32 L72 N73 V74 M401 I403I32-V105 HydrophobicContact CG2-CG2 4.33Å; L72-V105 HydrophobicContact CB-CG1 4.4Å; L72-V105 HydrophobicContact CD1-CG1 3.85Å; N73-V105 WeakPolarHBondContact O-CA 3.42Å; V74-V105 HydrophobicContact CG1-CG2 4.43Å; V105-M401 HydrophobicContact CG1-CE 3.72Å; V105-I403 HydrophobicContact CG2-CD1 4.5Å
106E92.8Very high77Confident95 Ų9551.2 Ų51.244%0.44428%0.283SS..EExtended strand (participates in β ladder)trans-134.1145.1-177.5-61.4-165.4130.300111.9L72 N73 K104 S108L72-E106 CarbonylContact C-O 3.49Å; L72-E106 VanDerWaalsContact CA-O 3.31Å; L72-E106 WeakPolarHBondContact CA-O 3.23Å; N73-E106 PolarHBondContact N-O 3.38Å; N73-E106 PolarHBondContact O-N 3.16Å; K104-E106 VanDerWaalsContact CD-CD 3.48Å; K104-E106 HydrophobicContact CD-CG 3.86Å; K104-E106 WeakPolarHBondContact CE-OE1 3.21Å; K104-E106 WeakPolarHBondContact CE-OE2 3.14Å; K104-E106 HydrophobicContact CG-CG 3.84Å; K104-E106 IonicContact NZ-OE1 3.16Å; K104-E106 PolarHBondContact NZ-OE1 3.02Å; K104-E106 IonicContact NZ-OE2 3.06Å; K104-E106 PolarHBondContact NZ-OE2 3.36Å; E106-S108 PolarHBondContact O-N 3.41Å
107I92.8Very high79.6Confident82 Ų8248.7 Ų48.742%0.42126%0.257SS..EExtended strand (participates in β ladder)trans-71.9111.6171.3-58.4165.8000108.3M70 L72 W109 R110M70-I107 HydrophobicContact SD-CD1 3.91Å; M70-I107 HydrophobicContact SD-CG1 4.37Å; M70-I107 HydrophobicContact SD-CG2 4.43Å; L72-I107 HydrophobicContact CD2-CB 4.25Å; L72-I107 HydrophobicContact CD2-CG1 3.56Å; I107-W109 WeakPolarHBondContact CG2-O 3.33Å; I107-R110 HydrophobicContact CG2-CB 4.13Å; I107-R110 HydrophobicContact CG2-CG 4.48Å
108S92.3Very high82Confident60 Ų6047.2 Ų47.242%0.4225%0.247SC..EExtended strand (participates in β ladder)trans-92.1-27.9177.962.80000112.7I71 N73 E106I71-S108 PolarHBondContact O-N 3.18Å; I71-S108 PolarHBondContact O-OG 2.92Å; N73-S108 WeakPolarHBondContact ND2-CB 3.36Å; N73-S108 WeakPolarHBondContact OD1-CB 3.17Å; N73-S108 PolarHBondContact OD1-OG 2.7Å; E106-S108 PolarHBondContact O-N 3.41Å
109W93Very high84.4Confident34 Ų3446.5 Ų46.513%0.12924%0.243CC..EExtended strand (participates in β ladder)trans-147.7144.2177.1179.396.7000110.3L69 M70 I71 I107 I111 T144 K146L69-W109 HydrophobicContact CB-CZ3 4.47Å; L69-W109 HydrophobicContact CD2-CH2 4.13Å; L69-W109 HydrophobicContact CD2-CZ3 4.06Å; L69-W109 HydrophobicContact CG-CZ3 4Å; M70-W109 CarbonylContact C-O 3.6Å; M70-W109 WeakPolarHBondContact CA-O 3.1Å; I71-W109 HydrophobicContact CB-CB 4.21Å; I71-W109 HydrophobicContact CD1-CE3 4.13Å; I71-W109 HydrophobicContact CG1-CE3 3.98Å; I71-W109 PolarHBondContact N-O 2.99Å; I71-W109 PolarHBondContact O-N 3.31Å; I107-W109 WeakPolarHBondContact CG2-O 3.33Å; W109-I111 HydrophobicContact CH2-CB 3.71Å; W109-I111 HydrophobicContact CH2-CG2 3.28Å; W109-I111 HydrophobicContact CZ2-CB 3.79Å; W109-I111 HydrophobicContact CZ2-CD1 4.37Å; W109-I111 HydrophobicContact CZ2-CG2 3.87Å; W109-I111 HydrophobicContact CZ3-CB 4.36Å; W109-I111 HydrophobicContact CZ3-CG2 3.89Å; W109-T144 HydrophobicContact CH2-CG2 4.35Å; W109-T144 HydrophobicContact CZ3-CG2 4.42Å; W109-T144 PolarHBondContact NE1-O 2.91Å; W109-K146 PolarHBondContact NE1-O 3.05Å
110R93.8Very high86.7Confident124 Ų12446.2 Ų46.247%0.46824%0.241SC..EExtended strand (participates in β ladder)trans-150.3147.5171.365.5178.9-176.2-177.31.5110.9L69 M70 I107 V148L69-R110 CarbonylContact O-C 3.46Å; L69-R110 VanDerWaalsContact O-CA 3.3Å; L69-R110 WeakPolarHBondContact O-CA 3.25Å; M70-R110 HydrophobicContact CB-CB 4.37Å; M70-R110 HydrophobicContact CG-CB 3.74Å; M70-R110 HydrophobicContact SD-CB 4.4Å; I107-R110 HydrophobicContact CG2-CB 4.13Å; I107-R110 HydrophobicContact CG2-CG 4.48Å; R110-V148 WeakPolarHBondContact O-CG2 3.41Å
111I94.4Very high89.3Confident11 Ų1145.9 Ų45.96%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-133.9142.3172.3-163.2167.6000110Y68 L69 W109 H113 F142Y68-I111 VanDerWaalsContact CA-O 3.29Å; Y68-I111 WeakPolarHBondContact CA-O 3.5Å; L69-I111 HydrophobicContact CB-CG2 3.98Å; L69-I111 HydrophobicContact CD2-CG2 4.46Å; L69-I111 PolarHBondContact N-O 3.17Å; L69-I111 PolarHBondContact O-N 2.88Å; W109-I111 HydrophobicContact CH2-CB 3.71Å; W109-I111 HydrophobicContact CH2-CG2 3.28Å; W109-I111 HydrophobicContact CZ2-CB 3.79Å; W109-I111 HydrophobicContact CZ2-CD1 4.37Å; W109-I111 HydrophobicContact CZ2-CG2 3.87Å; W109-I111 HydrophobicContact CZ3-CB 4.36Å; W109-I111 HydrophobicContact CZ3-CG2 3.89Å; I111-H113 PolarHBondContact O-N 3.36Å; I111-F142 HydrophobicContact CD1-CD1 3.99Å; I111-F142 HydrophobicContact CD1-CE1 4.22Å; I111-F142 HydrophobicContact CG2-CD1 4.06Å; I111-F142 HydrophobicContact CG2-CE1 4.16Å
112P94.9Very high91.4Very high9 Ų946.5 Ų46.56%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-57.5135.2171.1-23.834.1000111.2Q66 Y68 V148 C154Q66-P112 HydrophobicContact CG-CB 4.3Å; Y68-P112 HydrophobicContact CE1-CG 4.17Å; P112-V148 HydrophobicContact CG-CG1 4.34Å; P112-C154 WeakPolarHBondContact O-CA 3.38Å
113H95.1Very high93.4Very high2 Ų239 Ų391%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-116.6148.9179-168.5-97.7000111Q66 N67 I111 G115 E116 V117 T132 F140 F142Q66-H113 PolarHBondContact NE2-O 3.25Å; N67-H113 PolarHBondContact O-N 3.41Å; I111-H113 PolarHBondContact O-N 3.36Å; H113-G115 PolarHBondContact ND1-O 3.1Å; H113-G115 PolarHBondContact O-N 3.23Å; H113-E116 PolarHBondContact CE1-O 2.97Å; H113-V117 HydrophobicContact CB-CG2 4.17Å; H113-T132 WeakPolarHBondContact NE2-CB 3.28Å; H113-T132 PolarHBondContact NE2-OG1 3.07Å; H113-F140 AromaticContact NE2-CD2 3.69Å; H113-F142 AromaticContact CD2-CE2 3.64Å; H113-F142 AromaticContact CD2-CZ 3.76Å
114E93.3Very high94.7Very high78 Ų7840.4 Ų40.436%0.36420%0.199SC..SBendtrans-86.1102.7177.6-172.7174.7161.900108.7S134 F140 C154 R159E114-S134 VanDerWaalsContact O-CB 3.24Å; E114-S134 WeakPolarHBondContact O-CB 3.43Å; E114-F140 HydrophobicContact CB-CE2 4.11Å; E114-F140 HydrophobicContact CB-CZ 4.02Å; E114-F140 HydrophobicContact CG-CZ 4.49Å; E114-C154 HydrophobicContact CB-CB 4.12Å; E114-R159 IonicContact OE2-CZ 2.97Å; E114-R159 IonicContact OE2-NH1 2.8Å; E114-R159 PolarHBondContact OE2-NH1 3.37Å; E114-R159 IonicContact OE2-NH2 3.82Å; E114-R159 PolarHBondContact OE2-NH2 2.6Å
115G94Very high95.4Very high28 Ų2839.2 Ų39.229%0.28920%0.195SC..SBendtrans76.2176.3-170.300000113N67 H113N67-G115 WeakPolarHBondContact CB-O 3.42Å; H113-G115 PolarHBondContact ND1-O 3.1Å; H113-G115 PolarHBondContact O-N 3.23Å
116E96.2Very high95.7Very high47 Ų4741.1 Ų41.122%0.2221%0.205CC..  trans-61.1158.4173.657.8-88.7-154.600111.8L41 T60 H61 N67 H113 N118 S134 P135L41-E116 HydrophobicContact CD1-CG 4.39Å; T60-E116 WeakPolarHBondContact O-CA 3.35Å; T60-E116 WeakPolarHBondContact O-CB 3.49Å; H61-E116 HydrophobicContact CB-CB 4.1Å; N67-E116 PolarHBondContact ND2-N 3.05Å; H113-E116 PolarHBondContact CE1-O 2.97Å; E116-N118 WeakPolarHBondContact CG-OD1 3.36Å; E116-N118 PolarHBondContact O-N 2.85Å; E116-S134 WeakPolarHBondContact O-CA 3.33Å; E116-P135 HydrophobicContact CG-CG 3.62Å; E116-P135 WeakPolarHBondContact O-CD 3.18Å; E116-P135 WeakPolarHBondContact OE1-CG 3.3Å; E116-P135 WeakPolarHBondContact OE2-CG 2.97Å
117V97.7Very high95.8Very high0 Ų037.5 Ų37.50%019%0.19CC..  trans-9792-179.9-174.50000108.1T42 T60 L69 H113 R119 A120 T132T42-V117 HydrophobicContact CG2-CB 4.49Å; T42-V117 HydrophobicContact CG2-CG1 3.88Å; T60-V117 PolarHBondContact O-N 2.71Å; L69-V117 HydrophobicContact CB-CG2 4.45Å; L69-V117 HydrophobicContact CD1-CG1 4.29Å; H113-V117 HydrophobicContact CB-CG2 4.17Å; V117-R119 VanDerWaalsContact C-N 3.33Å; V117-R119 PolarHBondContact O-N 2.93Å; V117-A120 HydrophobicContact CG1-CB 3.87Å; V117-T132 HydrophobicContact CG1-CG2 4.08Å
118N97.7Very high95.9Very high2 Ų238.2 Ų38.21%0.01119%0.19CC..SBendtrans-60.6-43.3-178.5-733.3000111.5E116 I133 E166 G167 Y168E116-N118 WeakPolarHBondContact CG-OD1 3.36Å; E116-N118 PolarHBondContact O-N 2.85Å; N118-I133 HydrophobicContact CB-CB 4.38Å; N118-I133 HydrophobicContact CB-CG2 4.37Å; N118-I133 PolarHBondContact N-O 2.91Å; N118-E166 PolarHBondContact ND2-OE2 2.99Å; N118-G167 PolarHBondContact ND2-O 3.18Å; N118-Y168 HydrophobicContact CB-CD1 3.77Å; N118-Y168 HydrophobicContact CB-CE1 3.71Å
119R98.4Very high96.1Very high26 Ų2636.9 Ų36.910%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-152.1141.6172.8-165.2163.1-66.4166.93.2110.5V117 R121 T132 I133 Y168 L170 D219V117-R119 VanDerWaalsContact C-N 3.33Å; V117-R119 PolarHBondContact O-N 2.93Å; R119-R121 HydrophobicContact CG-CG 4.26Å; R119-T132 CarbonylContact O-C 3.42Å; R119-T132 WeakPolarHBondContact O-CA 3.24Å; R119-I133 PolarHBondContact O-N 2.9Å; R119-Y168 WeakPolarHBondContact CB-O 3.43Å; R119-Y168 WeakPolarHBondContact CD-O 3.47Å; R119-Y168 PolarHBondContact NE-O 2.98Å; R119-Y168 VanDerWaalsContact NE-O 3.07Å; R119-Y168 PolarHBondContact NH1-O 3.06Å; R119-L170 HydrophobicContact CB-CB 4.48Å; R119-L170 HydrophobicContact CG-CB 4.3Å; R119-D219 IonicContact NH1-OD1 3.45Å; R119-D219 PolarHBondContact NH1-OD1 3.34Å
120A98.6Very high96.3Very high0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-129.1130.5173.100000110.6T42 I57 L69 V117 V130 A131 T132T42-A120 HydrophobicContact CG2-CB 3.87Å; T42-A120 PolarHBondContact OG1-N 3.1Å; T42-A120 PolarHBondContact OG1-O 2.94Å; I57-A120 HydrophobicContact CG2-CB 3.66Å; L69-A120 HydrophobicContact CD1-CB 3.76Å; V117-A120 HydrophobicContact CG1-CB 3.87Å; A120-V130 HydrophobicContact CB-CG1 4.21Å; A120-A131 CarbonylContact C-O 3.6Å; A120-A131 VanDerWaalsContact CA-O 3.3Å; A120-A131 WeakPolarHBondContact CA-O 3.16Å; A120-T132 HydrophobicContact CB-CG2 3.85Å
121R98.7Very high96.5Very high29 Ų2929.4 Ų29.411%0.10915%0.149CC..EExtended strand (participates in β ladder)trans-138.4133.3179.8-62.7-65.6-179.8-101.810.5112.1T42 Q44 R119 A131 L170 W172 D381T42-R121 PolarHBondContact OG1-NH1 3.04Å; Q44-R121 VanDerWaalsContact OE1-CA 3.24Å; R119-R121 HydrophobicContact CG-CG 4.26Å; R121-A131 PolarHBondContact N-O 2.93Å; R121-A131 PolarHBondContact O-N 3.07Å; R121-L170 HydrophobicContact CB-CD2 4.14Å; R121-L170 HydrophobicContact CG-CD2 4.21Å; R121-W172 PolarHBondContact O-NE1 3.42Å; R121-D381 IonicContact CZ-OD2 2.79Å; R121-D381 IonicContact NH1-OD2 2.76Å; R121-D381 PolarHBondContact NH1-OD2 2.61Å; R121-D381 VanDerWaalsContact NH1-OD2 3.13Å; R121-D381 IonicContact NH2-OD1 2.69Å; R121-D381 PolarHBondContact NH2-OD1 3.21Å; R121-D381 IonicContact NH2-OD2 2.89Å; R121-D381 PolarHBondContact NH2-OD2 3.31Å
122Y98.2Very high96.7Very high44 Ų4428.9 Ų28.917%0.17315%0.146CC..EExtended strand (participates in β ladder)trans-78.5149.9174.875.5-95.2000112Q44 W45 L46 P47 I57 P124 P127 M129 W172Q44-Y122 VanDerWaalsContact CD-CD1 3.42Å; Q44-Y122 HydrophobicContact CG-CD1 4.18Å; Q44-Y122 HydrophobicContact CG-CE1 4.14Å; W45-Y122 VanDerWaalsContact O-CE1 3.27Å; W45-Y122 WeakPolarHBondContact O-CE1 3.4Å; L46-Y122 HydrophobicContact CD2-CD1 4Å; L46-Y122 HydrophobicContact CD2-CG 4.06Å; P47-Y122 HydrophobicContact CG-CD2 4.49Å; P47-Y122 HydrophobicContact CG-CE2 3.79Å; I57-Y122 HydrophobicContact CD1-CD1 4.39Å; Y122-P124 WeakPolarHBondContact O-CD 3.5Å; Y122-P127 HydrophobicContact CD2-CB 3.71Å; Y122-P127 HydrophobicContact CD2-CG 4.03Å; Y122-P127 HydrophobicContact CE2-CB 4.25Å; Y122-P127 HydrophobicContact CE2-CG 4.19Å; Y122-P127 HydrophobicContact CG-CB 4.26Å; Y122-M129 CarbonylContact C-O 3.56Å; Y122-M129 WeakPolarHBondContact CA-O 3.45Å; Y122-W172 VanDerWaalsContact C-CD1 3.45Å
123M98Very high96.8Very high12 Ų1228.7 Ų28.76%0.05915%0.145CC..EExtended strand (participates in β ladder)trans-76.4121.3173.7-176.5172.967.400110.3Q125 D126 M129 W172 G178 I194M123-Q125 VanDerWaalsContact CG-OE1 3.27Å; M123-Q125 PolarHBondContact O-N 2.98Å; M123-D126 HydrophobicContact CE-CB 3.5Å; M123-D126 VanDerWaalsContact CE-CB 3.5Å; M123-D126 CarbonylContact O-C 3.5Å; M123-D126 PolarHBondContact O-N 3.18Å; M123-M129 HydrophobicContact CB-CB 4.17Å; M123-M129 HydrophobicContact CE-CB 4.15Å; M123-M129 HydrophobicContact CE-CG 4.1Å; M123-M129 PolarHBondContact N-O 3.19Å; M123-W172 HydrophobicContact CB-CD2 3.86Å; M123-W172 HydrophobicContact CB-CE3 4.13Å; M123-W172 HydrophobicContact CB-CG 4.32Å; M123-W172 HydrophobicContact CB-CH2 4.44Å; M123-W172 HydrophobicContact CB-CZ2 4.13Å; M123-W172 HydrophobicContact CB-CZ3 4.43Å; M123-W172 HydrophobicContact CG-CD2 4.03Å; M123-W172 HydrophobicContact CG-CE3 3.85Å; M123-W172 HydrophobicContact CG-CZ3 4.22Å; M123-W172 HydrophobicContact SD-CE3 4.13Å; M123-W172 HydrophobicContact SD-CH2 4.43Å; M123-W172 HydrophobicContact SD-CZ3 3.95Å; M123-G178 PolarHBondContact SD-N 2.86Å; M123-G178 VanDerWaalsContact SD-N 3.38Å; M123-I194 HydrophobicContact SD-CD1 4.18Å
124P96.9Very high96.8Very high52 Ų5228.6 Ų28.634%0.33815%0.145SC..THydrogen-bonded Turntrans-54.2-34.1-174.3-30.236.4000115.3Y122 W172Y122-P124 WeakPolarHBondContact O-CD 3.5Å; P124-W172 VanDerWaalsContact CD-CB 3.44Å; P124-W172 HydrophobicContact CG-CB 4.24Å
125Q96.4Very high96.8Very high70 Ų7027 Ų2733%0.32714%0.141SC..THydrogen-bonded Turntrans-85.3-19.8-177-53.386.6-3.600113.8M123 N173 C174 P177M123-Q125 VanDerWaalsContact CG-OE1 3.27Å; M123-Q125 PolarHBondContact O-N 2.98Å; Q125-N173 PolarHBondContact NE2-O 3.23Å; Q125-C174 PolarHBondContact NE2-O 3.3Å; Q125-P177 HydrophobicContact CB-CB 4.3Å; Q125-P177 HydrophobicContact CG-CB 4.2Å; Q125-P177 HydrophobicContact CG-CG 4.1Å
126D96Very high96.8Very high59 Ų5927.3 Ų27.332%0.31614%0.138SC..EExtended strand (participates in β ladder)trans-147.289.7170.6-175.37.8000109.3M123 K128 M129M123-D126 HydrophobicContact CE-CB 3.5Å; M123-D126 VanDerWaalsContact CE-CB 3.5Å; M123-D126 CarbonylContact O-C 3.5Å; M123-D126 PolarHBondContact O-N 3.18Å; D126-K128 PolarHBondContact O-N 3.2Å; D126-K128 WeakPolarHBondContact OD1-CB 3.43Å; D126-K128 WeakPolarHBondContact OD1-CD 3.35Å; D126-K128 PolarHBondContact OD1-N 2.91Å; D126-M129 HydrophobicContact CB-CG 4.43Å; D126-M129 PolarHBondContact O-N 2.67Å
127P95.8Very high96.6Very high18 Ų1826.5 Ų26.512%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-61.7-6.8-174.6-25.334.8000115.3L46 P47 Y122 M129L46-P127 HydrophobicContact CD2-CB 4.24Å; P47-P127 HydrophobicContact CG-CB 3.83Å; P47-P127 HydrophobicContact CG-CG 3.48Å; P47-P127 VanDerWaalsContact CG-CG 3.48Å; Y122-P127 HydrophobicContact CD2-CB 3.71Å; Y122-P127 HydrophobicContact CD2-CG 4.03Å; Y122-P127 HydrophobicContact CE2-CB 4.25Å; Y122-P127 HydrophobicContact CE2-CG 4.19Å; Y122-P127 HydrophobicContact CG-CB 4.26Å; P127-M129 VanDerWaalsContact C-N 3.29Å
128K94.5Very high96.4Very high97 Ų9728.2 Ų28.242%0.42215%0.149SC..EExtended strand (participates in β ladder)trans-73.2-26.1173.7-63.9163.2-175.7165.30112.4D126 T144 T145D126-K128 PolarHBondContact O-N 3.2Å; D126-K128 WeakPolarHBondContact OD1-CB 3.43Å; D126-K128 WeakPolarHBondContact OD1-CD 3.35Å; D126-K128 PolarHBondContact OD1-N 2.91Å; K128-T144 VanDerWaalsContact CA-OG1 3.26Å; K128-T144 WeakPolarHBondContact CA-OG1 3.48Å; K128-T144 WeakPolarHBondContact O-CB 3.13Å; K128-T144 VanDerWaalsContact O-CG2 3.29Å; K128-T144 WeakPolarHBondContact O-CG2 3.16Å; K128-T144 PolarHBondContact O-N 3.09Å; K128-T144 PolarHBondContact O-OG1 3.38Å; K128-T145 HydrophobicContact CB-CG2 4.22Å; K128-T145 HydrophobicContact CD-CG2 3.63Å; K128-T145 HydrophobicContact CG-CG2 3.88Å
129M96.4Very high96.4Very high32 Ų3228.2 Ų28.216%0.15815%0.149CC..EExtended strand (participates in β ladder)trans-87.6118.8178.7-60.2-57.3-66.700109.2Y122 M123 D126 P127 I141 F142 D143Y122-M129 CarbonylContact C-O 3.56Å; Y122-M129 WeakPolarHBondContact CA-O 3.45Å; M123-M129 HydrophobicContact CB-CB 4.17Å; M123-M129 HydrophobicContact CE-CB 4.15Å; M123-M129 HydrophobicContact CE-CG 4.1Å; M123-M129 PolarHBondContact N-O 3.19Å; D126-M129 HydrophobicContact CB-CG 4.43Å; D126-M129 PolarHBondContact O-N 2.67Å; P127-M129 VanDerWaalsContact C-N 3.29Å; M129-I141 HydrophobicContact CE-CG2 3.39Å; M129-F142 WeakPolarHBondContact CA-O 3.33Å; M129-D143 HydrophobicContact SD-CB 3.92Å
130V97.8Very high96.3Very high1 Ų127 Ų271%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-119.4124.8-178.71780000109.3I57 L69 A120 T132 I141 F142 T144I57-V130 HydrophobicContact CD1-CG1 4.2Å; I57-V130 HydrophobicContact CD1-CG2 3.74Å; I57-V130 HydrophobicContact CG2-CG1 4.44Å; L69-V130 HydrophobicContact CD1-CG1 4.47Å; L69-V130 HydrophobicContact CD2-CB 4.49Å; L69-V130 HydrophobicContact CD2-CG1 4.09Å; A120-V130 HydrophobicContact CB-CG1 4.21Å; V130-T132 HydrophobicContact CG1-CG2 4.25Å; V130-I141 CarbonylContact O-C 3.58Å; V130-I141 WeakPolarHBondContact O-CA 3.08Å; V130-F142 PolarHBondContact N-O 2.99Å; V130-F142 PolarHBondContact O-N 3.34Å; V130-T144 HydrophobicContact CB-CG2 4.41Å; V130-T144 HydrophobicContact CG2-CG2 3.61Å
131A98.4Very high96.3Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-88.7144.6168.600000110.3A120 R121 F140 I141 L170 W172 L180A120-A131 CarbonylContact C-O 3.6Å; A120-A131 VanDerWaalsContact CA-O 3.3Å; A120-A131 WeakPolarHBondContact CA-O 3.16Å; R121-A131 PolarHBondContact N-O 2.93Å; R121-A131 PolarHBondContact O-N 3.07Å; A131-F140 CarbonylContact C-O 3.55Å; A131-F140 VanDerWaalsContact CA-O 3.22Å; A131-F140 WeakPolarHBondContact CA-O 3.41Å; A131-I141 HydrophobicContact CB-CD1 3.59Å; A131-L170 HydrophobicContact CB-CD1 4.25Å; A131-L170 HydrophobicContact CB-CD2 3.86Å; A131-L170 HydrophobicContact CB-CG 4.41Å; A131-L170 WeakPolarHBondContact O-CD2 3.28Å; A131-W172 HydrophobicContact CB-CH2 4.41Å; A131-W172 HydrophobicContact CB-CZ2 3.45Å; A131-W172 VanDerWaalsContact CB-CZ2 3.45Å; A131-L180 HydrophobicContact CB-CD1 4.26Å; A131-L180 HydrophobicContact CB-CD2 3.61Å
132T98.4Very high96.1Very high0 Ų025.7 Ų25.70%014%0.14CC..EExtended strand (participates in β ladder)trans-135147.5172.8660000112.4L69 H113 V117 R119 A120 V130 V139 F140 F142L69-T132 HydrophobicContact CD1-CG2 3.84Å; L69-T132 HydrophobicContact CD2-CG2 3.79Å; L69-T132 HydrophobicContact CG-CG2 4.33Å; H113-T132 WeakPolarHBondContact NE2-CB 3.28Å; H113-T132 PolarHBondContact NE2-OG1 3.07Å; V117-T132 HydrophobicContact CG1-CG2 4.08Å; R119-T132 CarbonylContact O-C 3.42Å; R119-T132 WeakPolarHBondContact O-CA 3.24Å; A120-T132 HydrophobicContact CB-CG2 3.85Å; V130-T132 HydrophobicContact CG1-CG2 4.25Å; T132-V139 WeakPolarHBondContact O-CA 3.24Å; T132-V139 VanDerWaalsContact O-CG1 3.29Å; T132-V139 WeakPolarHBondContact O-CG1 3.46Å; T132-F140 PolarHBondContact N-O 2.96Å; T132-F140 PolarHBondContact O-N 3.29Å; T132-F142 HydrophobicContact CG2-CD2 4.13Å; T132-F142 HydrophobicContact CG2-CE2 4.22Å; T132-F142 WeakPolarHBondContact OG1-CE2 3.45Å
133I97.6Very high95.9Very high6 Ų625.1 Ų25.13%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-104.3146.5165.7-56.4-178.6000108.9N118 R119 V139 G167 G169 L170N118-I133 HydrophobicContact CB-CB 4.38Å; N118-I133 HydrophobicContact CB-CG2 4.37Å; N118-I133 PolarHBondContact N-O 2.91Å; R119-I133 PolarHBondContact O-N 2.9Å; I133-V139 HydrophobicContact CG1-CG1 4.42Å; I133-V139 HydrophobicContact CG1-CG2 4.19Å; I133-G167 WeakPolarHBondContact CG2-O 3.47Å; I133-G169 WeakPolarHBondContact CD1-O 3.15Å; I133-L170 HydrophobicContact CD1-CB 3.87Å; I133-L170 HydrophobicContact CD1-CD1 3.97Å; I133-L170 HydrophobicContact CD1-CG 4.39Å; I133-L170 HydrophobicContact CG1-CB 4.32Å; I133-L170 HydrophobicContact CG1-CD1 3.92Å; I133-L170 HydrophobicContact CG1-CD2 4.27Å; I133-L170 HydrophobicContact CG1-CG 4.4Å
134S94.2Very high95.6Very high0 Ų025.4 Ų25.40%014%0.142CC..  trans-128.5174.617869.80000110.1E114 E116 S136 F140 E166E114-S134 VanDerWaalsContact O-CB 3.24Å; E114-S134 WeakPolarHBondContact O-CB 3.43Å; E116-S134 WeakPolarHBondContact O-CA 3.33Å; S134-S136 PolarHBondContact O-N 2.89Å; S134-S136 WeakPolarHBondContact OG-CB 3.43Å; S134-S136 PolarHBondContact OG-N 2.87Å; S134-S136 PolarHBondContact OG-OG 2.92Å; S134-F140 WeakPolarHBondContact OG-CE2 3.34Å; S134-E166 WeakPolarHBondContact O-CB 3.43Å
135P94.3Very high95.2Very high44 Ų4427 Ų2729%0.28615%0.151SC..SBendtrans-63.8-12.1166.8-21.731.6000114.2E116E116-P135 HydrophobicContact CG-CG 3.62Å; E116-P135 WeakPolarHBondContact O-CD 3.18Å; E116-P135 WeakPolarHBondContact OE1-CG 3.3Å; E116-P135 WeakPolarHBondContact OE2-CG 2.97Å
136S92.2Very high94.7Very high34 Ų3428 Ų2824%0.23816%0.155CC..SBendtrans-78.5160.6169.585.20000110.5S134 D138S134-S136 PolarHBondContact O-N 2.89Å; S134-S136 WeakPolarHBondContact OG-CB 3.43Å; S134-S136 PolarHBondContact OG-N 2.87Å; S134-S136 PolarHBondContact OG-OG 2.92Å; S136-D138 PolarHBondContact O-N 3.29Å; S136-D138 PolarHBondContact OG-N 3.17Å
137A92.8Very high93.6Very high30 Ų3034.6 Ų34.625%0.24818%0.18CC..SBendtrans-72-15179.200000113.8P163A137-P163 WeakPolarHBondContact CB-O 3.49Å; A137-P163 WeakPolarHBondContact O-CB 3.35Å
138D94.5Very high92.4Very high36 Ų3637 Ų3719%0.19320%0.195CC..  trans-84.2141.4-178.9-71-5.6000110.7S136 F140 R159S136-D138 PolarHBondContact O-N 3.29Å; S136-D138 PolarHBondContact OG-N 3.17Å; D138-F140 HydrophobicContact CB-CE1 3.95Å; D138-F140 HydrophobicContact CB-CZ 4.09Å; D138-R159 IonicContact OD2-NH1 3.35Å
139V97.2Very high90.9Very high3 Ų334.1 Ų34.12%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-95.6135166.6179.70000108.3T132 I133 L160 L170 L180 W192T132-V139 WeakPolarHBondContact O-CA 3.24Å; T132-V139 VanDerWaalsContact O-CG1 3.29Å; T132-V139 WeakPolarHBondContact O-CG1 3.46Å; I133-V139 HydrophobicContact CG1-CG1 4.42Å; I133-V139 HydrophobicContact CG1-CG2 4.19Å; V139-L160 HydrophobicContact CB-CB 4.12Å; V139-L160 HydrophobicContact CB-CD1 4.38Å; V139-L160 HydrophobicContact CG1-CD1 4.19Å; V139-L160 PolarHBondContact N-O 2.84Å; V139-L160 PolarHBondContact O-N 2.87Å; V139-L170 HydrophobicContact CG1-CD1 4.03Å; V139-L180 HydrophobicContact CG1-CD2 4.19Å; V139-W192 HydrophobicContact CG2-CH2 3.9Å; V139-W192 HydrophobicContact CG2-CZ3 4.4Å
140F96.8Very high89.2Confident0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-106.7144.5-175.4-57.4-65.5000111.9H113 E114 A131 T132 S134 D138 F142 P156 R159H113-F140 AromaticContact NE2-CD2 3.69Å; E114-F140 HydrophobicContact CB-CE2 4.11Å; E114-F140 HydrophobicContact CB-CZ 4.02Å; E114-F140 HydrophobicContact CG-CZ 4.49Å; A131-F140 CarbonylContact C-O 3.55Å; A131-F140 VanDerWaalsContact CA-O 3.22Å; A131-F140 WeakPolarHBondContact CA-O 3.41Å; T132-F140 PolarHBondContact N-O 2.96Å; T132-F140 PolarHBondContact O-N 3.29Å; S134-F140 WeakPolarHBondContact OG-CE2 3.34Å; D138-F140 HydrophobicContact CB-CE1 3.95Å; D138-F140 HydrophobicContact CB-CZ 4.09Å; F140-F142 HydrophobicContact CB-CD2 4.16Å; F140-F142 HydrophobicContact CB-CE2 3.41Å; F140-F142 VanDerWaalsContact CB-CE2 3.41Å; F140-F142 HydrophobicContact CB-CZ 3.91Å; F140-F142 HydrophobicContact CG-CE2 4.28Å; F140-F142 HydrophobicContact CG-CZ 4.42Å; F140-P156 HydrophobicContact CB-CB 4.04Å; F140-P156 HydrophobicContact CD1-CB 4Å; F140-P156 HydrophobicContact CD1-CG 3.77Å; F140-P156 HydrophobicContact CE1-CG 4.36Å; F140-P156 HydrophobicContact CG-CB 4.39Å; F140-R159 HydrophobicContact CD1-CG 3.95Å; F140-R159 HydrophobicContact CE1-CG 3.94Å
141I96.6Very high87.6Confident0 Ų043.9 Ų43.90%026%0.258CS..EExtended strand (participates in β ladder)trans-112.7130.8170.8-57.6-56.6000108.9M129 V130 A131 P156 E157 R158 L160 W172 L180 I194M129-I141 HydrophobicContact CE-CG2 3.39Å; V130-I141 CarbonylContact O-C 3.58Å; V130-I141 WeakPolarHBondContact O-CA 3.08Å; A131-I141 HydrophobicContact CB-CD1 3.59Å; I141-P156 CarbonylContact O-C 3.54Å; I141-E157 HydrophobicContact CG2-CB 4.43Å; I141-E157 WeakPolarHBondContact O-CB 3.3Å; I141-E157 PolarHBondContact O-N 2.8Å; I141-R158 HydrophobicContact CB-CB 4.12Å; I141-R158 HydrophobicContact CG1-CB 4.22Å; I141-R158 PolarHBondContact N-O 2.93Å; I141-R158 PolarHBondContact O-N 3.21Å; I141-L160 HydrophobicContact CD1-CD1 3.88Å; I141-L160 HydrophobicContact CD1-CG 4.47Å; I141-L160 HydrophobicContact CG1-CD1 3.95Å; I141-L160 HydrophobicContact CG1-CD2 4.12Å; I141-L160 HydrophobicContact CG1-CG 4.04Å; I141-W172 HydrophobicContact CD1-CH2 3.72Å; I141-W172 HydrophobicContact CD1-CZ2 3.81Å; I141-L180 HydrophobicContact CD1-CD2 3.97Å; I141-I194 HydrophobicContact CG1-CG2 4.41Å
142F95.6Very high86.2Confident2 Ų246 Ų461%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-123.5141.9177.8-65.2-83.7000111.4L69 I111 H113 M129 V130 T132 F140 P156L69-F142 HydrophobicContact CD2-CB 4.13Å; L69-F142 HydrophobicContact CD2-CD2 3.74Å; L69-F142 HydrophobicContact CD2-CE2 4.38Å; L69-F142 HydrophobicContact CD2-CG 4.02Å; I111-F142 HydrophobicContact CD1-CD1 3.99Å; I111-F142 HydrophobicContact CD1-CE1 4.22Å; I111-F142 HydrophobicContact CG2-CD1 4.06Å; I111-F142 HydrophobicContact CG2-CE1 4.16Å; H113-F142 AromaticContact CD2-CE2 3.64Å; H113-F142 AromaticContact CD2-CZ 3.76Å; M129-F142 WeakPolarHBondContact CA-O 3.33Å; V130-F142 PolarHBondContact N-O 2.99Å; V130-F142 PolarHBondContact O-N 3.34Å; T132-F142 HydrophobicContact CG2-CD2 4.13Å; T132-F142 HydrophobicContact CG2-CE2 4.22Å; T132-F142 WeakPolarHBondContact OG1-CE2 3.45Å; F140-F142 HydrophobicContact CB-CD2 4.16Å; F140-F142 HydrophobicContact CB-CE2 3.41Å; F140-F142 VanDerWaalsContact CB-CE2 3.41Å; F140-F142 HydrophobicContact CB-CZ 3.91Å; F140-F142 HydrophobicContact CG-CE2 4.28Å; F140-F142 HydrophobicContact CG-CZ 4.42Å; F142-P156 HydrophobicContact CD1-CB 4.3Å; F142-P156 HydrophobicContact CE1-CB 3.84Å; F142-P156 HydrophobicContact CZ-CB 3.95Å
143D94Very high85.4Confident31 Ų3147.5 Ų47.517%0.16630%0.295CS..EExtended strand (participates in β ladder)trans-99113.1167.1177-6.9000109M129 T145 K146 E157M129-D143 HydrophobicContact SD-CB 3.92Å; D143-T145 VanDerWaalsContact CG-OG1 3.26Å; D143-T145 PolarHBondContact O-N 3.43Å; D143-T145 WeakPolarHBondContact OD1-CB 3.39Å; D143-T145 PolarHBondContact OD1-N 3Å; D143-T145 PolarHBondContact OD1-OG1 3.28Å; D143-T145 PolarHBondContact OD2-OG1 3.22Å; D143-K146 HydrophobicContact CB-CD 4.27Å; D143-K146 HydrophobicContact CB-CG 4.21Å; D143-K146 PolarHBondContact O-N 2.87Å; D143-E157 HydrophobicContact CB-CG 3.82Å
144T92.1Very high84.8Confident19 Ų1948.6 Ų48.612%0.11730%0.303CS..THydrogen-bonded Turntrans-70.1-9.8-176.358.70000113.8I71 W109 K128 V130I71-T144 HydrophobicContact CD1-CG2 3.59Å; W109-T144 HydrophobicContact CH2-CG2 4.35Å; W109-T144 HydrophobicContact CZ3-CG2 4.42Å; W109-T144 PolarHBondContact NE1-O 2.91Å; K128-T144 VanDerWaalsContact CA-OG1 3.26Å; K128-T144 WeakPolarHBondContact CA-OG1 3.48Å; K128-T144 WeakPolarHBondContact O-CB 3.13Å; K128-T144 VanDerWaalsContact O-CG2 3.29Å; K128-T144 WeakPolarHBondContact O-CG2 3.16Å; K128-T144 PolarHBondContact O-N 3.09Å; K128-T144 PolarHBondContact O-OG1 3.38Å; V130-T144 HydrophobicContact CB-CG2 4.41Å; V130-T144 HydrophobicContact CG2-CG2 3.61Å
145T89Confident84.5Confident86 Ų8650.6 Ų50.653%0.52832%0.319SS..THydrogen-bonded Turntrans-82.5-18.2174.270.50000113.1K128 D143K128-T145 HydrophobicContact CB-CG2 4.22Å; K128-T145 HydrophobicContact CD-CG2 3.63Å; K128-T145 HydrophobicContact CG-CG2 3.88Å; D143-T145 VanDerWaalsContact CG-OG1 3.26Å; D143-T145 PolarHBondContact O-N 3.43Å; D143-T145 WeakPolarHBondContact OD1-CB 3.39Å; D143-T145 PolarHBondContact OD1-N 3Å; D143-T145 PolarHBondContact OD1-OG1 3.28Å; D143-T145 PolarHBondContact OD2-OG1 3.22Å
146K84.3Confident84.4Confident91 Ų9148.9 Ų48.940%0.39631%0.309SS..SBendtrans-80.8143.5-178.8-66.4-172-171.7-175.50111.2W109 D143 E157W109-K146 PolarHBondContact NE1-O 3.05Å; D143-K146 HydrophobicContact CB-CD 4.27Å; D143-K146 HydrophobicContact CB-CG 4.21Å; D143-K146 PolarHBondContact O-N 2.87Å; K146-E157 WeakPolarHBondContact CD-OE1 3.34Å; K146-E157 VanDerWaalsContact CE-OE1 3.25Å; K146-E157 WeakPolarHBondContact CE-OE1 3.43Å; K146-E157 IonicContact NZ-OE1 3.71Å; K146-E157 PolarHBondContact NZ-OE1 3.32Å; K146-E157 IonicContact NZ-OE2 3.51Å; K146-E157 PolarHBondContact NZ-OE2 3Å
147K72.7Confident84.4Confident196 Ų19650.1 Ų50.185%0.85231%0.311SS*.  trans-85.1150175.9-67.3-173.2177.6-176.10110.2S149K147-S149 PolarHBondContact O-N 2.85Å
148V70.3Confident84.3Confident70 Ų7050.1 Ų50.142%0.42430%0.304SS..  trans-45.8127175.3-175.70000110.2R110 P112R110-V148 WeakPolarHBondContact O-CG2 3.41Å; P112-V148 HydrophobicContact CG-CG1 4.34Å
149S63.8Low84.3Confident36 Ų3651.5 Ų51.525%0.25231%0.307SS..  trans-60.8143176.762.30000109.9K147 S151 G152K147-S149 PolarHBondContact O-N 2.85Å; S149-S151 PolarHBondContact O-N 3.38Å; S149-S151 PolarHBondContact OG-OG 2.9Å; S149-G152 PolarHBondContact O-N 2.83Å; S149-G152 VanDerWaalsContact O-N 3.14Å
150S61.1Low84.3Confident139 Ų13951.4 Ų51.497%0.97231%0.306SS*.THydrogen-bonded Turntrans-61-15.2179.354.50000113.9G152S150-G152 VanDerWaalsContact C-N 3.33Å
151S63.2Low84.2Confident98 Ų9856.3 Ų56.369%0.68533%0.325SS*.THydrogen-bonded Turntrans-79.9-9.7178.552.20000114.2S149 G153S149-S151 PolarHBondContact O-N 3.38Å; S149-S151 PolarHBondContact OG-OG 2.9Å; S151-G153 PolarHBondContact O-N 2.99Å
152G69.7Low84.1Confident44 Ų4458 Ų5845%0.45434%0.341SS..  trans67.80.717700000115.5S149 S150S149-G152 PolarHBondContact O-N 2.83Å; S149-G152 VanDerWaalsContact O-N 3.14Å; S150-G152 VanDerWaalsContact C-N 3.33Å
153G81.1Confident84Confident32 Ų3258.4 Ų58.433%0.3335%0.345SS..SBendtrans-92.2165177.100000113S151 A155S151-G153 PolarHBondContact O-N 2.99Å; G153-A155 PolarHBondContact O-N 3.19Å
154C85.6Confident84.1Confident29 Ų2961.9 Ų61.920%0.19637%0.367CS..  trans-61.6116.9170.8-1770000109.9P112 E114 P156P112-C154 WeakPolarHBondContact O-CA 3.38Å; E114-C154 HydrophobicContact CB-CB 4.12Å; C154-P156 WeakPolarHBondContact O-CD 3.44Å
155A88.1Confident84.3Confident42 Ų4266.1 Ų66.135%0.34738%0.384SS..  trans-12675.7-178.100000109.5G153G153-A155 PolarHBondContact O-N 3.19Å
156P91.9Very high84.6Confident9 Ų964.8 Ų64.86%0.05837%0.372CS..  trans-69.3151.9176.131.6-35.3000110.4F140 I141 F142 C154 R158 R159F140-P156 HydrophobicContact CB-CB 4.04Å; F140-P156 HydrophobicContact CD1-CB 4Å; F140-P156 HydrophobicContact CD1-CG 3.77Å; F140-P156 HydrophobicContact CE1-CG 4.36Å; F140-P156 HydrophobicContact CG-CB 4.39Å; I141-P156 CarbonylContact O-C 3.54Å; F142-P156 HydrophobicContact CD1-CB 4.3Å; F142-P156 HydrophobicContact CE1-CB 3.84Å; F142-P156 HydrophobicContact CZ-CB 3.95Å; C154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-R158 VanDerWaalsContact C-N 3.32Å; P156-R159 HydrophobicContact CG-CG 3.78Å
157E91Very high85.2Confident60 Ų6060.5 Ų60.528%0.2835%0.353SS..SBendtrans-63.9-42.3171.8-67.4-58.6124.500111.1I141 D143 K146I141-E157 HydrophobicContact CG2-CB 4.43Å; I141-E157 WeakPolarHBondContact O-CB 3.3Å; I141-E157 PolarHBondContact O-N 2.8Å; D143-E157 HydrophobicContact CB-CG 3.82Å; K146-E157 WeakPolarHBondContact CD-OE1 3.34Å; K146-E157 VanDerWaalsContact CE-OE1 3.25Å; K146-E157 WeakPolarHBondContact CE-OE1 3.43Å; K146-E157 IonicContact NZ-OE1 3.71Å; K146-E157 PolarHBondContact NZ-OE1 3.32Å; K146-E157 IonicContact NZ-OE2 3.51Å; K146-E157 PolarHBondContact NZ-OE2 3Å
158R92.1Very high86.4Confident30 Ų3055.1 Ų55.111%0.11333%0.328CS..EExtended strand (participates in β ladder)trans-142.6146.1175.5-54.9-166.9-171.5-8919.5110.9I141 P156 L160 I194 H197 S198 E201 L202I141-R158 HydrophobicContact CB-CB 4.12Å; I141-R158 HydrophobicContact CG1-CB 4.22Å; I141-R158 PolarHBondContact N-O 2.93Å; I141-R158 PolarHBondContact O-N 3.21Å; P156-R158 VanDerWaalsContact C-N 3.32Å; R158-L160 HydrophobicContact CB-CD2 4.11Å; R158-I194 PolarHBondContact NE-O 2.89Å; R158-I194 PolarHBondContact NH2-O 3.07Å; R158-H197 PolarHBondContact NH2-O 2.95Å; R158-S198 PolarHBondContact NH1-O 2.78Å; R158-S198 PolarHBondContact NH2-O 2.74Å; R158-E201 PolarHBondContact NH1-O 3.35Å; R158-L202 CarbonylContact C-O 3.48Å; R158-L202 WeakPolarHBondContact CA-O 3.45Å
159R95.1Very high87.7Confident65 Ų6551.8 Ų51.825%0.24531%0.308CS..EExtended strand (participates in β ladder)trans-106.9115.8166.6-60.6-174170.4-125.3-6.1107.7E114 D138 F140 P156 L202 T203 V204E114-R159 IonicContact OE2-CZ 2.97Å; E114-R159 IonicContact OE2-NH1 2.8Å; E114-R159 PolarHBondContact OE2-NH1 3.37Å; E114-R159 IonicContact OE2-NH2 3.82Å; E114-R159 PolarHBondContact OE2-NH2 2.6Å; D138-R159 IonicContact OD2-NH1 3.35Å; F140-R159 HydrophobicContact CD1-CG 3.95Å; F140-R159 HydrophobicContact CE1-CG 3.94Å; P156-R159 HydrophobicContact CG-CG 3.78Å; R159-L202 PolarHBondContact N-O 2.76Å; R159-T203 HydrophobicContact CB-CG2 4.37Å; R159-T203 CarbonylContact O-C 3.55Å; R159-T203 VanDerWaalsContact O-CA 3.26Å; R159-T203 WeakPolarHBondContact O-CA 3.4Å; R159-V204 PolarHBondContact O-N 3.27Å
160L96.5Very high89.3Confident0 Ų050.4 Ų50.40%030%0.298CS..EExtended strand (participates in β ladder)trans-94.9117.7179.6-43.7-178.8000108.3V139 I141 R158 L180 W192 I194 V204V139-L160 HydrophobicContact CB-CB 4.12Å; V139-L160 HydrophobicContact CB-CD1 4.38Å; V139-L160 HydrophobicContact CG1-CD1 4.19Å; V139-L160 PolarHBondContact N-O 2.84Å; V139-L160 PolarHBondContact O-N 2.87Å; I141-L160 HydrophobicContact CD1-CD1 3.88Å; I141-L160 HydrophobicContact CD1-CG 4.47Å; I141-L160 HydrophobicContact CG1-CD1 3.95Å; I141-L160 HydrophobicContact CG1-CD2 4.12Å; I141-L160 HydrophobicContact CG1-CG 4.04Å; R158-L160 HydrophobicContact CB-CD2 4.11Å; L160-L180 HydrophobicContact CD1-CD2 3.64Å; L160-W192 HydrophobicContact CB-CD2 3.93Å; L160-W192 HydrophobicContact CB-CG 4.05Å; L160-W192 HydrophobicContact CB-CZ2 3.99Å; L160-W192 HydrophobicContact CD1-CB 4.23Å; L160-W192 HydrophobicContact CD1-CD2 4.02Å; L160-W192 HydrophobicContact CD1-CE3 4.26Å; L160-W192 HydrophobicContact CD1-CG 4.02Å; L160-W192 HydrophobicContact CG-CG 4.45Å; L160-I194 HydrophobicContact CD1-CG2 4.3Å; L160-I194 HydrophobicContact CD2-CG2 4.15Å; L160-V204 CarbonylContact C-O 3.51Å; L160-V204 WeakPolarHBondContact CA-O 3.34Å; L160-V204 HydrophobicContact CD2-CB 3.78Å; L160-V204 HydrophobicContact CD2-CG1 4.43Å; L160-V204 HydrophobicContact CD2-CG2 4.21Å
161R95.5Very high91.1Very high104 Ų10444.6 Ų44.639%0.39226%0.257SS..EExtended strand (participates in β ladder)trans-101.6148.1-178.1-58.1-171.4-57.9-167-1110.3W192 V204 D205 A206R161-W192 PolarHBondContact O-NE1 3.46Å; R161-V204 PolarHBondContact N-O 3.36Å; R161-D205 IonicContact CZ-OD1 2.85Å; R161-D205 IonicContact NE-OD1 3.13Å; R161-D205 PolarHBondContact NE-OD1 2.89Å; R161-D205 VanDerWaalsContact NH2-CG 3.31Å; R161-D205 IonicContact NH2-OD1 3.47Å; R161-D205 PolarHBondContact NH2-OD1 3.43Å; R161-D205 IonicContact NH2-OD2 3.29Å; R161-D205 PolarHBondContact NH2-OD2 3.27Å; R161-D205 CarbonylContact O-C 3.55Å; R161-A206 PolarHBondContact O-N 3.48Å
162G92.7Very high92.8Very high34 Ų3440.5 Ų40.535%0.35123%0.227SC..  trans163.9-60.1179.300000111
163P95.1Very high94.2Very high12 Ų1238.4 Ų38.48%0.07821%0.205CC..  trans-59.1155.2171.4-20.331.4000111.4A137 D186 C190 W192A137-P163 WeakPolarHBondContact CB-O 3.49Å; A137-P163 WeakPolarHBondContact O-CB 3.35Å; P163-D186 WeakPolarHBondContact CA-OD2 3.29Å; P163-C190 HydrophobicContact CG-CB 4.34Å; P163-W192 HydrophobicContact CG-CH2 3.98Å; P163-W192 HydrophobicContact CG-CZ2 4.32Å
164T95.1Very high94.9Very high104 Ų10439.6 Ų39.664%0.63821%0.208SC*.SBendtrans-113.4-6.7177.257.30000112.9D186T164-D186 PolarHBondContact N-OD2 2.98Å; T164-D186 WeakPolarHBondContact OG1-CB 3.39Å; T164-D186 PolarHBondContact OG1-OD2 2.83Å
165K96.2Very high95.4Very high107 Ų10741.3 Ų41.347%0.46522%0.217SC..SBendtrans-139.6174.5175.6-63.7-175-171.8169.30109.2S184 D185 D186K165-S184 PolarHBondContact O-OG 3.32Å; K165-D185 HydrophobicContact CB-CB 3.82Å; K165-D185 HydrophobicContact CD-CB 3.72Å; K165-D185 PolarHBondContact NZ-O 3.47Å; K165-D185 VanDerWaalsContact NZ-O 3.16Å; K165-D186 HydrophobicContact CB-CB 4.33Å; K165-D186 HydrophobicContact CD-CB 4.37Å; K165-D186 HydrophobicContact CG-CB 4.22Å
166E95.8Very high95.9Very high59 Ų5941.3 Ų41.328%0.27621%0.211SC..  trans-65.5-178.3172.470.9-177121.900112.7N118 S134 S184 D185N118-E166 PolarHBondContact ND2-OE2 2.99Å; S134-E166 WeakPolarHBondContact O-CB 3.43Å; E166-S184 WeakPolarHBondContact O-CA 2.95Å; E166-S184 WeakPolarHBondContact O-CB 3.35Å; E166-S184 PolarHBondContact O-OG 3.22Å; E166-D185 PolarHBondContact O-N 2.87Å
167G96.4Very high96.1Very high1 Ų144 Ų441%0.0123%0.229CC..  trans-174.2-172.3172.400000111.4N118 I133N118-G167 PolarHBondContact ND2-O 3.18Å; I133-G167 WeakPolarHBondContact CG2-O 3.47Å
168Y97.2Very high96.3Very high82 Ų8241.1 Ų41.132%0.32222%0.215SC..  trans-129.6-38.6-179.8-68.5-87.3000112.2N118 R119 L170N118-Y168 HydrophobicContact CB-CD1 3.77Å; N118-Y168 HydrophobicContact CB-CE1 3.71Å; R119-Y168 WeakPolarHBondContact CB-O 3.43Å; R119-Y168 WeakPolarHBondContact CD-O 3.47Å; R119-Y168 PolarHBondContact NE-O 2.98Å; R119-Y168 VanDerWaalsContact NE-O 3.07Å; R119-Y168 PolarHBondContact NH1-O 3.06Å; Y168-L170 PolarHBondContact O-N 2.96Å
169G98Very high96.6Very high0 Ų041.7 Ų41.70%022%0.219CC..  trans-58.6124.1179.400000113.9I133 S182 A183 E218 D219I133-G169 WeakPolarHBondContact CD1-O 3.15Å; G169-S182 CarbonylContact O-C 3.48Å; G169-S182 WeakPolarHBondContact O-CA 3.39Å; G169-A183 PolarHBondContact O-N 3.09Å; G169-E218 WeakPolarHBondContact CA-O 3Å; G169-E218 PolarHBondContact N-O 3.39Å; G169-D219 WeakPolarHBondContact CA-OD1 3.26Å
170L98.4Very high96.8Very high8 Ų838.6 Ų38.64%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-151.3120.6-178.8-170.269.3000110R119 R121 A131 I133 V139 Y168 L180 L181R119-L170 HydrophobicContact CB-CB 4.48Å; R119-L170 HydrophobicContact CG-CB 4.3Å; R121-L170 HydrophobicContact CB-CD2 4.14Å; R121-L170 HydrophobicContact CG-CD2 4.21Å; A131-L170 HydrophobicContact CB-CD1 4.25Å; A131-L170 HydrophobicContact CB-CD2 3.86Å; A131-L170 HydrophobicContact CB-CG 4.41Å; A131-L170 WeakPolarHBondContact O-CD2 3.28Å; I133-L170 HydrophobicContact CD1-CB 3.87Å; I133-L170 HydrophobicContact CD1-CD1 3.97Å; I133-L170 HydrophobicContact CD1-CG 4.39Å; I133-L170 HydrophobicContact CG1-CB 4.32Å; I133-L170 HydrophobicContact CG1-CD1 3.92Å; I133-L170 HydrophobicContact CG1-CD2 4.27Å; I133-L170 HydrophobicContact CG1-CG 4.4Å; V139-L170 HydrophobicContact CG1-CD1 4.03Å; Y168-L170 PolarHBondContact O-N 2.96Å; L170-L180 HydrophobicContact CD1-CD1 3.68Å; L170-L180 HydrophobicContact CD1-CD2 4.08Å; L170-L180 HydrophobicContact CD1-CG 4.09Å; L170-L180 HydrophobicContact CG-CD1 4.1Å; L170-L181 WeakPolarHBondContact CA-O 3.28Å
171S98.6Very high96.9Very high17 Ų1738.6 Ų38.612%0.11921%0.207CC..EExtended strand (participates in β ladder)trans-145.3123.7-177.4-177.90000112.7L180 L181 V220 W222S171-L180 WeakPolarHBondContact O-CD1 3.47Å; S171-L181 PolarHBondContact N-O 3.38Å; S171-L181 PolarHBondContact O-N 3.06Å; S171-V220 WeakPolarHBondContact CB-O 3.47Å; S171-W222 PolarHBondContact O-NE1 3.06Å; S171-W222 PolarHBondContact OG-N 2.9Å; S171-W222 VanDerWaalsContact OG-N 3.11Å
172W98.6Very high97Very high11 Ų1133.7 Ų33.74%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-81.3142.9171.3-72.1102.8000111R121 Y122 M123 P124 A131 I141 C174 L180 I194R121-W172 PolarHBondContact O-NE1 3.42Å; Y122-W172 VanDerWaalsContact C-CD1 3.45Å; M123-W172 HydrophobicContact CB-CD2 3.86Å; M123-W172 HydrophobicContact CB-CE3 4.13Å; M123-W172 HydrophobicContact CB-CG 4.32Å; M123-W172 HydrophobicContact CB-CH2 4.44Å; M123-W172 HydrophobicContact CB-CZ2 4.13Å; M123-W172 HydrophobicContact CB-CZ3 4.43Å; M123-W172 HydrophobicContact CG-CD2 4.03Å; M123-W172 HydrophobicContact CG-CE3 3.85Å; M123-W172 HydrophobicContact CG-CZ3 4.22Å; M123-W172 HydrophobicContact SD-CE3 4.13Å; M123-W172 HydrophobicContact SD-CH2 4.43Å; M123-W172 HydrophobicContact SD-CZ3 3.95Å; P124-W172 VanDerWaalsContact CD-CB 3.44Å; P124-W172 HydrophobicContact CG-CB 4.24Å; A131-W172 HydrophobicContact CB-CH2 4.41Å; A131-W172 HydrophobicContact CB-CZ2 3.45Å; A131-W172 VanDerWaalsContact CB-CZ2 3.45Å; I141-W172 HydrophobicContact CD1-CH2 3.72Å; I141-W172 HydrophobicContact CD1-CZ2 3.81Å; W172-C174 PolarHBondContact O-N 3.08Å; W172-L180 HydrophobicContact CD2-CB 4.38Å; W172-L180 HydrophobicContact CD2-CD1 3.69Å; W172-L180 HydrophobicContact CD2-CG 4.49Å; W172-L180 HydrophobicContact CE3-CB 3.84Å; W172-L180 HydrophobicContact CE3-CD1 4.04Å; W172-L180 HydrophobicContact CE3-CG 4.42Å; W172-L180 HydrophobicContact CG-CD1 3.95Å; W172-L180 HydrophobicContact CH2-CB 4.24Å; W172-L180 HydrophobicContact CH2-CD2 4.01Å; W172-L180 HydrophobicContact CZ2-CD1 4.33Å; W172-L180 HydrophobicContact CZ2-CD2 4.1Å; W172-L180 HydrophobicContact CZ3-CB 3.74Å; W172-L180 HydrophobicContact CZ3-CD1 4.45Å; W172-L180 HydrophobicContact CZ3-CD2 4.35Å; W172-L180 HydrophobicContact CZ3-CG 4.41Å; W172-I194 HydrophobicContact CH2-CD1 3.71Å; W172-I194 HydrophobicContact CH2-CG2 4.38Å; W172-I194 HydrophobicContact CZ3-CD1 3.86Å; W172-I194 HydrophobicContact CZ3-CG2 4.47Å
173N98.5Very high97.3Very high1 Ų132.1 Ų32.11%0.00517%0.172CC..  trans-74.2122.6174.4-166.9-54.8000109.8Q125 V175 L176 F179 W222 A227Q125-N173 PolarHBondContact NE2-O 3.23Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 3.42Å; N173-V175 WeakPolarHBondContact OD1-CA 3.37Å; N173-V175 PolarHBondContact OD1-N 2.85Å; N173-L176 HydrophobicContact CB-CB 4.48Å; N173-L176 PolarHBondContact OD1-N 2.92Å; N173-F179 HydrophobicContact CB-CB 3.62Å; N173-F179 WeakPolarHBondContact CB-O 3.38Å; N173-F179 PolarHBondContact N-O 2.89Å; N173-W222 HydrophobicContact CB-CD2 4.01Å; N173-W222 HydrophobicContact CB-CG 4.06Å; N173-W222 HydrophobicContact CB-CZ2 4.39Å; N173-W222 VanDerWaalsContact N-CD1 3.32Å; N173-W222 VanDerWaalsContact ND2-CE3 3.31Å; N173-W222 WeakPolarHBondContact ND2-CZ3 3.41Å; N173-A227 PolarHBondContact ND2-O 3.05Å
174C96.3Very high97.4Very high56 Ų5631.6 Ų31.638%0.37817%0.169SC..SBendtrans-70.7-21.2179.7-62.80000113.3Q125 W172Q125-C174 PolarHBondContact NE2-O 3.3Å; W172-C174 PolarHBondContact O-N 3.08Å
175V97.2Very high97.6Very high66 Ų6628.6 Ų28.640%0.415%0.149SC..SBendtrans-101.2-45.1-174.3-173.60000112.3N173 A227N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 3.42Å; N173-V175 WeakPolarHBondContact OD1-CA 3.37Å; N173-V175 PolarHBondContact OD1-N 2.85Å; V175-A227 HydrophobicContact CB-CB 3.95Å; V175-A227 HydrophobicContact CG1-CB 3.85Å
176L97.4Very high97.6Very high42 Ų4224.1 Ų24.122%0.2213%0.13CC..SBendtrans-99.4112-179.4-63.8177.3000110.6N173 G178 F179 A227 Y228N173-L176 HydrophobicContact CB-CB 4.48Å; N173-L176 PolarHBondContact OD1-N 2.92Å; L176-G178 PolarHBondContact O-N 2.6Å; L176-F179 HydrophobicContact CB-CB 4.2Å; L176-F179 HydrophobicContact CB-CD2 3.62Å; L176-F179 HydrophobicContact CB-CE2 4.18Å; L176-F179 HydrophobicContact CB-CG 3.91Å; L176-F179 HydrophobicContact CD1-CD1 4.29Å; L176-F179 HydrophobicContact CD1-CD2 4.4Å; L176-F179 HydrophobicContact CD1-CE1 4.32Å; L176-F179 HydrophobicContact CD1-CE2 4.43Å; L176-F179 HydrophobicContact CD1-CG 4.34Å; L176-F179 HydrophobicContact CD1-CZ 4.4Å; L176-F179 PolarHBondContact O-N 2.99Å; L176-A227 HydrophobicContact CD1-CB 3.95Å; L176-A227 HydrophobicContact CD2-CB 4.37Å; L176-A227 HydrophobicContact CG-CB 3.82Å; L176-Y228 HydrophobicContact CD1-CE1 4.12Å
177P96.5Very high97.7Very high65 Ų6524.7 Ų24.742%0.42213%0.132SC..THydrogen-bonded Turntrans-61.7131.9-179-18.528.9000111.9Q125 F179 N195Q125-P177 HydrophobicContact CB-CB 4.3Å; Q125-P177 HydrophobicContact CG-CB 4.2Å; Q125-P177 HydrophobicContact CG-CG 4.1Å; P177-F179 VanDerWaalsContact C-N 3.32Å; P177-N195 PolarHBondContact O-ND2 2.75Å
178G96Very high97.7Very high0 Ų025.9 Ų25.90%014%0.138CC..THydrogen-bonded Turntrans83.40.7175.200000115.8M123 L176 I194M123-G178 PolarHBondContact SD-N 2.86Å; M123-G178 VanDerWaalsContact SD-N 3.38Å; L176-G178 PolarHBondContact O-N 2.6Å; G178-I194 PolarHBondContact O-N 3.13Å
179F98.1Very high97.8Very high42 Ų4222 Ų2218%0.18412%0.123CC..EExtended strand (participates in β ladder)trans-83.6123.2173.2-79.5-113.7000109.8N173 L176 P177 L191 W192 D193 L207N173-F179 HydrophobicContact CB-CB 3.62Å; N173-F179 WeakPolarHBondContact CB-O 3.38Å; N173-F179 PolarHBondContact N-O 2.89Å; L176-F179 HydrophobicContact CB-CB 4.2Å; L176-F179 HydrophobicContact CB-CD2 3.62Å; L176-F179 HydrophobicContact CB-CE2 4.18Å; L176-F179 HydrophobicContact CB-CG 3.91Å; L176-F179 HydrophobicContact CD1-CD1 4.29Å; L176-F179 HydrophobicContact CD1-CD2 4.4Å; L176-F179 HydrophobicContact CD1-CE1 4.32Å; L176-F179 HydrophobicContact CD1-CE2 4.43Å; L176-F179 HydrophobicContact CD1-CG 4.34Å; L176-F179 HydrophobicContact CD1-CZ 4.4Å; L176-F179 PolarHBondContact O-N 2.99Å; P177-F179 VanDerWaalsContact C-N 3.32Å; F179-L191 HydrophobicContact CD1-CD1 4.09Å; F179-W192 VanDerWaalsContact CA-O 3.32Å; F179-W192 WeakPolarHBondContact CA-O 3.2Å; F179-D193 HydrophobicContact CD2-CB 4.36Å; F179-D193 HydrophobicContact CE1-CB 4.32Å; F179-D193 HydrophobicContact CE2-CB 3.94Å; F179-D193 HydrophobicContact CZ-CB 3.92Å; F179-L207 HydrophobicContact CE1-CD2 4.33Å
180L98.4Very high97.8Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-129.9135.9-175.7-179.561.7000110.4A131 V139 I141 L160 L170 S171 W172 L191 W192A131-L180 HydrophobicContact CB-CD1 4.26Å; A131-L180 HydrophobicContact CB-CD2 3.61Å; V139-L180 HydrophobicContact CG1-CD2 4.19Å; I141-L180 HydrophobicContact CD1-CD2 3.97Å; L160-L180 HydrophobicContact CD1-CD2 3.64Å; L170-L180 HydrophobicContact CD1-CD1 3.68Å; L170-L180 HydrophobicContact CD1-CD2 4.08Å; L170-L180 HydrophobicContact CD1-CG 4.09Å; L170-L180 HydrophobicContact CG-CD1 4.1Å; S171-L180 WeakPolarHBondContact O-CD1 3.47Å; W172-L180 HydrophobicContact CD2-CB 4.38Å; W172-L180 HydrophobicContact CD2-CD1 3.69Å; W172-L180 HydrophobicContact CD2-CG 4.49Å; W172-L180 HydrophobicContact CE3-CB 3.84Å; W172-L180 HydrophobicContact CE3-CD1 4.04Å; W172-L180 HydrophobicContact CE3-CG 4.42Å; W172-L180 HydrophobicContact CG-CD1 3.95Å; W172-L180 HydrophobicContact CH2-CB 4.24Å; W172-L180 HydrophobicContact CH2-CD2 4.01Å; W172-L180 HydrophobicContact CZ2-CD1 4.33Å; W172-L180 HydrophobicContact CZ2-CD2 4.1Å; W172-L180 HydrophobicContact CZ3-CB 3.74Å; W172-L180 HydrophobicContact CZ3-CD1 4.45Å; W172-L180 HydrophobicContact CZ3-CD2 4.35Å; W172-L180 HydrophobicContact CZ3-CG 4.41Å; L180-L191 WeakPolarHBondContact O-CA 3.43Å; L180-L191 WeakPolarHBondContact O-CD1 3.32Å; L180-W192 PolarHBondContact N-O 2.8Å; L180-W192 PolarHBondContact O-N 3.21Å
181L98.7Very high97.8Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-107.3146.3168.9-70.8168.7000110.7L170 S171 I189 C190 L191 F210 V220 W222 F230L170-L181 WeakPolarHBondContact CA-O 3.28Å; S171-L181 PolarHBondContact N-O 3.38Å; S171-L181 PolarHBondContact O-N 3.06Å; L181-I189 HydrophobicContact CD2-CG2 3.84Å; L181-C190 VanDerWaalsContact CA-O 3.3Å; L181-C190 WeakPolarHBondContact CA-O 3.48Å; L181-L191 HydrophobicContact CD2-CB 3.84Å; L181-L191 HydrophobicContact CD2-CD1 3.95Å; L181-L191 HydrophobicContact CD2-CG 4.42Å; L181-L191 HydrophobicContact CG-CD1 4.37Å; L181-F210 HydrophobicContact CD2-CE2 4.38Å; L181-V220 HydrophobicContact CB-CB 4.49Å; L181-V220 HydrophobicContact CB-CG1 3.87Å; L181-V220 HydrophobicContact CB-CG2 3.76Å; L181-V220 HydrophobicContact CD1-CG2 3.57Å; L181-V220 HydrophobicContact CG-CG2 4.2Å; L181-W222 HydrophobicContact CD1-CD2 3.61Å; L181-W222 HydrophobicContact CD1-CE3 4.23Å; L181-W222 HydrophobicContact CD1-CG 4.01Å; L181-W222 HydrophobicContact CD1-CH2 4.1Å; L181-W222 HydrophobicContact CD1-CZ2 3.51Å; L181-W222 HydrophobicContact CD1-CZ3 4.43Å; L181-W222 VanDerWaalsContact CD1-NE1 3.34Å; L181-W222 HydrophobicContact CD2-CZ2 4.01Å; L181-W222 HydrophobicContact CG-CD2 4.35Å; L181-W222 VanDerWaalsContact CG-CE2 3.44Å; L181-W222 HydrophobicContact CG-CH2 4.39Å; L181-W222 HydrophobicContact CG-CZ2 3.49Å; L181-W222 VanDerWaalsContact CG-CZ2 3.49Å; L181-W222 VanDerWaalsContact CG-NE1 3.34Å; L181-F230 HydrophobicContact CD1-CB 3.61Å; L181-F230 HydrophobicContact CD1-CD1 3.94Å; L181-F230 HydrophobicContact CD1-CD2 3.56Å; L181-F230 HydrophobicContact CD1-CE1 4.47Å; L181-F230 HydrophobicContact CD1-CE2 4.13Å; L181-F230 HydrophobicContact CD1-CG 3.44Å; L181-F230 VanDerWaalsContact CD1-CG 3.44Å; L181-F230 HydrophobicContact CD2-CE2 4.38Å; L181-F230 HydrophobicContact CD2-CZ 4.35Å
182S98.5Very high97.7Very high1 Ų121 Ų211%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-132.5149.1163.677.50000111.9G169 I189 C190 W192G169-S182 CarbonylContact O-C 3.48Å; G169-S182 WeakPolarHBondContact O-CA 3.39Å; S182-I189 CarbonylContact O-C 3.56Å; S182-I189 VanDerWaalsContact O-CA 3.23Å; S182-I189 WeakPolarHBondContact O-CA 3.47Å; S182-I189 WeakPolarHBondContact O-CG2 3.48Å; S182-C190 PolarHBondContact N-O 2.95Å; S182-C190 PolarHBondContact O-N 3.23Å; S182-W192 WeakPolarHBondContact OG-CH2 3.26Å; S182-W192 WeakPolarHBondContact OG-CZ3 3.26Å
183A98.3Very high97.6Very high1 Ų122.1 Ų22.11%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-108.5148.317000000109.9G169 A217 V220G169-A183 PolarHBondContact O-N 3.09Å; A183-A217 CarbonylContact C-O 3.55Å; A183-A217 HydrophobicContact CB-CB 3.92Å; A183-A217 VanDerWaalsContact CB-O 3.27Å; A183-A217 WeakPolarHBondContact CB-O 3.2Å; A183-V220 HydrophobicContact CB-CB 4.26Å; A183-V220 HydrophobicContact CB-CG1 4.13Å
184S98.1Very high97.3Very high1 Ų122.4 Ų22.41%0.00713%0.125CC..  trans-143.3156.3-172.6177.70000113.5K165 E166 D186 H187 N188 A217K165-S184 PolarHBondContact O-OG 3.32Å; E166-S184 WeakPolarHBondContact O-CA 2.95Å; E166-S184 WeakPolarHBondContact O-CB 3.35Å; E166-S184 PolarHBondContact O-OG 3.22Å; S184-D186 PolarHBondContact O-N 3.45Å; S184-D186 VanDerWaalsContact O-N 3.07Å; S184-D186 PolarHBondContact OG-N 2.92Å; S184-H187 PolarHBondContact O-N 3.18Å; S184-N188 PolarHBondContact N-O 3.29Å; S184-A217 PolarHBondContact N-O 2.69Å; S184-A217 PolarHBondContact O-N 3.21Å; S184-A217 VanDerWaalsContact O-N 3.15Å
185D97.7Very high97Very high41 Ų4124.4 Ų24.422%0.21913%0.132CC..THydrogen-bonded Turntrans-59.7-10.2170.1-71.529.3000114.7K165 E166 V216K165-D185 HydrophobicContact CB-CB 3.82Å; K165-D185 HydrophobicContact CD-CB 3.72Å; K165-D185 PolarHBondContact NZ-O 3.47Å; K165-D185 VanDerWaalsContact NZ-O 3.16Å; E166-D185 PolarHBondContact O-N 2.87Å; D185-V216 HydrophobicContact CB-CG1 4.47Å; D185-V216 HydrophobicContact CB-CG2 4.41Å
186D96.8Very high96.3Very high13 Ų1323.9 Ų23.97%0.0714%0.14CC..THydrogen-bonded Turntrans-87.49.1172.777.89000114.1P163 T164 K165 S184 N188P163-D186 WeakPolarHBondContact CA-OD2 3.29Å; T164-D186 PolarHBondContact N-OD2 2.98Å; T164-D186 WeakPolarHBondContact OG1-CB 3.39Å; T164-D186 PolarHBondContact OG1-OD2 2.83Å; K165-D186 HydrophobicContact CB-CB 4.33Å; K165-D186 HydrophobicContact CD-CB 4.37Å; K165-D186 HydrophobicContact CG-CB 4.22Å; S184-D186 PolarHBondContact O-N 3.45Å; S184-D186 VanDerWaalsContact O-N 3.07Å; S184-D186 PolarHBondContact OG-N 2.92Å; D186-N188 PolarHBondContact O-N 3.43Å; D186-N188 PolarHBondContact O-ND2 2.87Å; D186-N188 VanDerWaalsContact OD1-CB 3.27Å; D186-N188 WeakPolarHBondContact OD1-CB 3.39Å; D186-N188 PolarHBondContact OD1-N 3.09Å; D186-N188 PolarHBondContact OD1-ND2 3.04Å; D186-N188 PolarHBondContact OD2-ND2 3.08Å
187H97.4Very high95.3Very high70 Ų7024.9 Ų24.932%0.32414%0.143SC..SBendtrans75.21.6176.6-37-46.2000114.3S184 S215 V216S184-H187 PolarHBondContact O-N 3.18Å; H187-S215 WeakPolarHBondContact CA-O 3.35Å; H187-S215 VanDerWaalsContact CB-O 3.24Å; H187-S215 WeakPolarHBondContact CB-O 3.46Å; H187-S215 WeakPolarHBondContact ND1-CA 3.38Å; H187-S215 PolarHBondContact ND1-O 3.38Å; H187-V216 PolarHBondContact ND1-N 3.07Å; H187-V216 VanDerWaalsContact ND1-N 3.15Å
188N97.6Very high94.2Very high26 Ų2624.5 Ų24.514%0.13914%0.143CC..  trans-105.1156.3-175.4-48.4-69.4000111.8S184 D186 V209 K211S184-N188 PolarHBondContact N-O 3.29Å; D186-N188 PolarHBondContact O-N 3.43Å; D186-N188 PolarHBondContact O-ND2 2.87Å; D186-N188 VanDerWaalsContact OD1-CB 3.27Å; D186-N188 WeakPolarHBondContact OD1-CB 3.39Å; D186-N188 PolarHBondContact OD1-N 3.09Å; D186-N188 PolarHBondContact OD1-ND2 3.04Å; D186-N188 PolarHBondContact OD2-ND2 3.08Å; N188-V209 HydrophobicContact CB-CG1 3.75Å; N188-K211 WeakPolarHBondContact OD1-CG 3.44Å
189I98.3Very high93Very high1 Ų129.3 Ų29.31%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-111.4128.9167.4-60.2148.9000107.3L181 S182 V209 F210 A217 V220 F230 S232 W242L181-I189 HydrophobicContact CD2-CG2 3.84Å; S182-I189 CarbonylContact O-C 3.56Å; S182-I189 VanDerWaalsContact O-CA 3.23Å; S182-I189 WeakPolarHBondContact O-CA 3.47Å; S182-I189 WeakPolarHBondContact O-CG2 3.48Å; I189-V209 CarbonylContact O-C 3.52Å; I189-V209 WeakPolarHBondContact O-CA 3.48Å; I189-F210 HydrophobicContact CB-CB 4.22Å; I189-F210 HydrophobicContact CB-CD2 4.39Å; I189-F210 HydrophobicContact CG2-CD2 4.27Å; I189-F210 PolarHBondContact N-O 3.44Å; I189-F210 VanDerWaalsContact N-O 3.09Å; I189-F210 WeakPolarHBondContact O-CD2 3.32Å; I189-F210 PolarHBondContact O-N 3.12Å; I189-A217 HydrophobicContact CG1-CB 4.44Å; I189-V220 HydrophobicContact CG2-CG2 4.04Å; I189-F230 HydrophobicContact CD1-CE2 4.4Å; I189-F230 HydrophobicContact CG2-CE2 4.14Å; I189-S232 WeakPolarHBondContact CD1-OG 3.25Å; I189-W242 HydrophobicContact CD1-CZ2 3.8Å
190C98.1Very high91.6Very high0 Ų033.7 Ų33.70%020%0.202CC..EExtended strand (participates in β ladder)trans-107.2143.4178.2-70.10000110.6P163 L181 S182 W192 A206P163-C190 HydrophobicContact CG-CB 4.34Å; L181-C190 VanDerWaalsContact CA-O 3.3Å; L181-C190 WeakPolarHBondContact CA-O 3.48Å; S182-C190 PolarHBondContact N-O 2.95Å; S182-C190 PolarHBondContact O-N 3.23Å; C190-W192 HydrophobicContact CB-CE3 4.22Å; C190-W192 HydrophobicContact CB-CH2 3.18Å; C190-W192 HydrophobicContact CB-CZ2 3.54Å; C190-W192 HydrophobicContact CB-CZ3 3.53Å; C190-W192 WeakPolarHBondContact O-CZ3 3.46Å; C190-A206 HydrophobicContact CB-CB 4.2Å
191L98.1Very high90.7Very high4 Ų437.6 Ų37.62%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-119.5134.3175.6171.559.9000110F179 L180 L181 A206 L207 S208 F210 W222F179-L191 HydrophobicContact CD1-CD1 4.09Å; L180-L191 WeakPolarHBondContact O-CA 3.43Å; L180-L191 WeakPolarHBondContact O-CD1 3.32Å; L181-L191 HydrophobicContact CD2-CB 3.84Å; L181-L191 HydrophobicContact CD2-CD1 3.95Å; L181-L191 HydrophobicContact CD2-CG 4.42Å; L181-L191 HydrophobicContact CG-CD1 4.37Å; L191-A206 CarbonylContact O-C 3.58Å; L191-L207 HydrophobicContact CD2-CD2 4.5Å; L191-L207 WeakPolarHBondContact O-CB 3.31Å; L191-L207 PolarHBondContact O-N 3.29Å; L191-S208 PolarHBondContact N-O 3.32Å; L191-S208 PolarHBondContact O-N 3.14Å; L191-F210 HydrophobicContact CB-CE2 3.83Å; L191-F210 HydrophobicContact CD2-CE2 4.24Å; L191-F210 HydrophobicContact CD2-CZ 4.26Å; L191-W222 HydrophobicContact CD1-CH2 4.26Å; L191-W222 HydrophobicContact CD1-CZ2 3.65Å
192W97.5Very high90.2Very high0 Ų043 Ų430%025%0.248CC..EExtended strand (participates in β ladder)trans-125.6151172-60-93.6000111.6V139 L160 R161 P163 F179 L180 S182 C190 A206V139-W192 HydrophobicContact CG2-CH2 3.9Å; V139-W192 HydrophobicContact CG2-CZ3 4.4Å; L160-W192 HydrophobicContact CB-CD2 3.93Å; L160-W192 HydrophobicContact CB-CG 4.05Å; L160-W192 HydrophobicContact CB-CZ2 3.99Å; L160-W192 HydrophobicContact CD1-CB 4.23Å; L160-W192 HydrophobicContact CD1-CD2 4.02Å; L160-W192 HydrophobicContact CD1-CE3 4.26Å; L160-W192 HydrophobicContact CD1-CG 4.02Å; L160-W192 HydrophobicContact CG-CG 4.45Å; R161-W192 PolarHBondContact O-NE1 3.46Å; P163-W192 HydrophobicContact CG-CH2 3.98Å; P163-W192 HydrophobicContact CG-CZ2 4.32Å; F179-W192 VanDerWaalsContact CA-O 3.32Å; F179-W192 WeakPolarHBondContact CA-O 3.2Å; L180-W192 PolarHBondContact N-O 2.8Å; L180-W192 PolarHBondContact O-N 3.21Å; S182-W192 WeakPolarHBondContact OG-CH2 3.26Å; S182-W192 WeakPolarHBondContact OG-CZ3 3.26Å; C190-W192 HydrophobicContact CB-CE3 4.22Å; C190-W192 HydrophobicContact CB-CH2 3.18Å; C190-W192 HydrophobicContact CB-CZ2 3.54Å; C190-W192 HydrophobicContact CB-CZ3 3.53Å; C190-W192 WeakPolarHBondContact O-CZ3 3.46Å; W192-A206 VanDerWaalsContact CD1-CA 3.47Å; W192-A206 HydrophobicContact CZ2-CB 4.4Å; W192-A206 VanDerWaalsContact NE1-CA 3.28Å
193D95.6Very high89.9Confident35 Ų3545.8 Ų45.819%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-113.4104.8160.1174.72.7000107.9F179 N195 G196 H197 L207F179-D193 HydrophobicContact CD2-CB 4.36Å; F179-D193 HydrophobicContact CE1-CB 4.32Å; F179-D193 HydrophobicContact CE2-CB 3.94Å; F179-D193 HydrophobicContact CZ-CB 3.92Å; D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 WeakPolarHBondContact OD1-CA 3.47Å; D193-N195 WeakPolarHBondContact OD1-CB 3.49Å; D193-N195 PolarHBondContact OD1-N 3.05Å; D193-G196 PolarHBondContact OD1-N 2.88Å; D193-G196 PolarHBondContact OD2-N 2.84Å; D193-H197 PolarHBondContact O-ND1 2.85Å; D193-L207 HydrophobicContact CB-CD2 4.4Å
194I93.1Very high89.7Confident6 Ų645.8 Ų45.83%0.03127%0.265CS..SBendtrans-73.1-17.2-17873.7177.3000113M123 I141 R158 L160 W172 G178M123-I194 HydrophobicContact SD-CD1 4.18Å; I141-I194 HydrophobicContact CG1-CG2 4.41Å; R158-I194 PolarHBondContact NE-O 2.89Å; R158-I194 PolarHBondContact NH2-O 3.07Å; L160-I194 HydrophobicContact CD1-CG2 4.3Å; L160-I194 HydrophobicContact CD2-CG2 4.15Å; W172-I194 HydrophobicContact CH2-CD1 3.71Å; W172-I194 HydrophobicContact CH2-CG2 4.38Å; W172-I194 HydrophobicContact CZ3-CD1 3.86Å; W172-I194 HydrophobicContact CZ3-CG2 4.47Å; G178-I194 PolarHBondContact O-N 3.13Å
195N90.3Very high89.5Confident98 Ų9849.9 Ų49.952%0.52429%0.287SS..SBendtrans-94.5-20.9-176.9-69.9-35.5000112P177 D193 H197P177-N195 PolarHBondContact O-ND2 2.75Å; D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 WeakPolarHBondContact OD1-CA 3.47Å; D193-N195 WeakPolarHBondContact OD1-CB 3.49Å; D193-N195 PolarHBondContact OD1-N 3.05Å; N195-H197 PolarHBondContact O-N 3.49Å
196G81.8Confident89.4Confident56 Ų5649.2 Ų49.258%0.57729%0.287SS*.SBendtrans-68.1-14.1175.400000114.6D193D193-G196 PolarHBondContact OD1-N 2.88Å; D193-G196 PolarHBondContact OD2-N 2.84Å
197H76.4Confident89.3Confident62 Ų6253.5 Ų53.529%0.28731%0.309SS..SBendtrans-107.6152.2-175.5-64.180.9000111.9R158 D193 N195 E201 V204R158-H197 PolarHBondContact NH2-O 2.95Å; D193-H197 PolarHBondContact O-ND1 2.85Å; N195-H197 PolarHBondContact O-N 3.49Å; H197-E201 IonicContact CD2-OE2 2.99Å; H197-E201 PolarHBondContact CD2-OE2 3.35Å; H197-E201 IonicContact CG-OE2 3.35Å; H197-V204 HydrophobicContact CB-CG2 4.2Å; H197-V204 VanDerWaalsContact CE1-CG1 3.42Å; H197-V204 WeakPolarHBondContact CE1-CG1 3.22Å; H197-V204 WeakPolarHBondContact ND1-CG1 3.31Å
198S73Confident89.3Confident58 Ų5851 Ų5141%0.40630%0.3SS..  trans-58.9145.7177.370.30000111.2R158 D200 E201R158-S198 PolarHBondContact NH1-O 2.78Å; R158-S198 PolarHBondContact NH2-O 2.74Å; S198-D200 PolarHBondContact O-N 3.02Å; S198-D200 VanDerWaalsContact O-N 3.08Å; S198-E201 PolarHBondContact O-N 2.91Å; S198-E201 WeakPolarHBondContact OG-CG 3.43Å; S198-E201 PolarHBondContact OG-OE1 3.06Å
199S70.3Confident89.2Confident101 Ų10152.1 Ų52.171%0.70631%0.308SS*.THydrogen-bonded Turntrans-58.1-21.9178.652.30000113.4
200D70.5Confident89.2Confident134 Ų13452.1 Ų52.172%0.71731%0.308SS*.THydrogen-bonded Turntrans-86.5-13.2-173.8-60.4-10000112.5S198 L202S198-D200 PolarHBondContact O-N 3.02Å; S198-D200 VanDerWaalsContact O-N 3.08Å; D200-L202 PolarHBondContact O-N 2.86Å
201E77.7Confident89.1Confident82 Ų8259.5 Ų59.538%0.38334%0.339SS..  trans-78.8102.3176.6-79165.3-133.400111.1R158 H197 S198 T203R158-E201 PolarHBondContact NH1-O 3.35Å; H197-E201 IonicContact CD2-OE2 2.99Å; H197-E201 PolarHBondContact CD2-OE2 3.35Å; H197-E201 IonicContact CG-OE2 3.35Å; S198-E201 PolarHBondContact O-N 2.91Å; S198-E201 WeakPolarHBondContact OG-CG 3.43Å; S198-E201 PolarHBondContact OG-OE1 3.06Å; E201-T203 PolarHBondContact O-N 2.98Å
202L88.8Confident89Confident113 Ų11360.1 Ų60.159%0.59235%0.347SS*.SBendtrans-66-20.6172.2-81.4116.2000113.1R158 R159 D200R158-L202 CarbonylContact C-O 3.48Å; R158-L202 WeakPolarHBondContact CA-O 3.45Å; R159-L202 PolarHBondContact N-O 2.76Å; D200-L202 PolarHBondContact O-N 2.86Å
203T91.7Very high89Confident59 Ų5960.6 Ų60.636%0.36235%0.349SS..EExtended strand (participates in β ladder)trans-123129.5-178.359.60000110.4R159 E201R159-T203 HydrophobicContact CB-CG2 4.37Å; R159-T203 CarbonylContact O-C 3.55Å; R159-T203 VanDerWaalsContact O-CA 3.26Å; R159-T203 WeakPolarHBondContact O-CA 3.4Å; E201-T203 PolarHBondContact O-N 2.98Å
204V93.9Very high89.1Confident1 Ų164.9 Ų64.91%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-123.4123.7179-179.10000108.9R159 L160 R161 H197R159-V204 PolarHBondContact O-N 3.27Å; L160-V204 CarbonylContact C-O 3.51Å; L160-V204 WeakPolarHBondContact CA-O 3.34Å; L160-V204 HydrophobicContact CD2-CB 3.78Å; L160-V204 HydrophobicContact CD2-CG1 4.43Å; L160-V204 HydrophobicContact CD2-CG2 4.21Å; R161-V204 PolarHBondContact N-O 3.36Å; H197-V204 HydrophobicContact CB-CG2 4.2Å; H197-V204 VanDerWaalsContact CE1-CG1 3.42Å; H197-V204 WeakPolarHBondContact CE1-CG1 3.22Å; H197-V204 WeakPolarHBondContact ND1-CG1 3.31Å
205D94.5Very high89.3Confident87 Ų8766.4 Ų66.447%0.46538%0.382SS..EExtended strand (participates in β ladder)trans-81.6151.9176.2-66.7-36.5000110.9R161 L207R161-D205 IonicContact CZ-OD1 2.85Å; R161-D205 IonicContact NE-OD1 3.13Å; R161-D205 PolarHBondContact NE-OD1 2.89Å; R161-D205 VanDerWaalsContact NH2-CG 3.31Å; R161-D205 IonicContact NH2-OD1 3.47Å; R161-D205 PolarHBondContact NH2-OD1 3.43Å; R161-D205 IonicContact NH2-OD2 3.29Å; R161-D205 PolarHBondContact NH2-OD2 3.27Å; R161-D205 CarbonylContact O-C 3.55Å; D205-L207 PolarHBondContact O-N 3.34Å
206A95.9Very high89.6Confident27 Ų2762.8 Ų62.822%0.22336%0.364CS..  trans-57128.717900000111.3R161 C190 L191 W192 S208 V209R161-A206 PolarHBondContact O-N 3.48Å; C190-A206 HydrophobicContact CB-CB 4.2Å; L191-A206 CarbonylContact O-C 3.58Å; W192-A206 VanDerWaalsContact CD1-CA 3.47Å; W192-A206 HydrophobicContact CZ2-CB 4.4Å; W192-A206 VanDerWaalsContact NE1-CA 3.28Å; A206-S208 VanDerWaalsContact C-N 3.35Å; A206-V209 HydrophobicContact CB-CG2 3.96Å
207L95.1Very high90.4Very high103 Ų10360.1 Ų60.154%0.53934%0.336SS..SBendtrans-64.4-43.1173.9177.963.9000110.6F179 L191 D193 D205F179-L207 HydrophobicContact CE1-CD2 4.33Å; L191-L207 HydrophobicContact CD2-CD2 4.5Å; L191-L207 WeakPolarHBondContact O-CB 3.31Å; L191-L207 PolarHBondContact O-N 3.29Å; D193-L207 HydrophobicContact CB-CD2 4.4Å; D205-L207 PolarHBondContact O-N 3.34Å
208S96.5Very high91.5Very high18 Ų1858.6 Ų58.613%0.12633%0.33CS..EExtended strand (participates in β ladder)trans-143.2147.8178.1-57.10000110.3L191 A206 H249L191-S208 PolarHBondContact N-O 3.32Å; L191-S208 PolarHBondContact O-N 3.14Å; A206-S208 VanDerWaalsContact C-N 3.35Å; S208-H249 PolarHBondContact OG-CE1 3.5Å
209V97Very high92.7Very high50 Ų5056.2 Ų56.230%0.30331%0.312SS..EExtended strand (participates in β ladder)trans-125.3115.4173.4-177.10000108.3N188 I189 A206 K211N188-V209 HydrophobicContact CB-CG1 3.75Å; I189-V209 CarbonylContact O-C 3.52Å; I189-V209 WeakPolarHBondContact O-CA 3.48Å; A206-V209 HydrophobicContact CB-CG2 3.96Å; V209-K211 HydrophobicContact CG1-CG 4.28Å
210F98.2Very high94.1Very high1 Ų151.5 Ų51.50%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-93.8125.1-178.6-54.3-95.6000109.9L181 I189 L191 F230 W242 H249L181-F210 HydrophobicContact CD2-CE2 4.38Å; I189-F210 HydrophobicContact CB-CB 4.22Å; I189-F210 HydrophobicContact CB-CD2 4.39Å; I189-F210 HydrophobicContact CG2-CD2 4.27Å; I189-F210 PolarHBondContact N-O 3.44Å; I189-F210 VanDerWaalsContact N-O 3.09Å; I189-F210 WeakPolarHBondContact O-CD2 3.32Å; I189-F210 PolarHBondContact O-N 3.12Å; L191-F210 HydrophobicContact CB-CE2 3.83Å; L191-F210 HydrophobicContact CD2-CE2 4.24Å; L191-F210 HydrophobicContact CD2-CZ 4.26Å; F210-F230 AromaticContact CD1-CZ 3.91Å; F210-F230 HydrophobicContact CD1-CZ 3.91Å; F210-F230 AromaticContact CD2-CZ 3.85Å; F210-F230 HydrophobicContact CD2-CZ 3.85Å; F210-F230 HydrophobicContact CE1-CE1 4.05Å; F210-F230 AromaticContact CE1-CZ 3.82Å; F210-F230 HydrophobicContact CE1-CZ 3.82Å; F210-F230 HydrophobicContact CE2-CE1 4.19Å; F210-F230 AromaticContact CE2-CZ 3.77Å; F210-F230 HydrophobicContact CE2-CZ 3.77Å; F210-F230 AromaticContact CG-CZ 3.93Å; F210-F230 HydrophobicContact CG-CZ 3.93Å; F210-F230 AromaticContact CZ-CE1 3.85Å; F210-F230 HydrophobicContact CZ-CE1 3.85Å; F210-F230 AromaticContact CZ-CZ 3.76Å; F210-F230 HydrophobicContact CZ-CZ 3.76Å; F210-W242 HydrophobicContact CB-CE3 4.21Å; F210-W242 HydrophobicContact CB-CH2 4Å; F210-W242 HydrophobicContact CB-CZ2 4.49Å; F210-W242 HydrophobicContact CB-CZ3 3.88Å; F210-W242 AromaticContact CD1-CE3 3.93Å; F210-W242 HydrophobicContact CD1-CE3 3.93Å; F210-W242 HydrophobicContact CD1-CZ3 4.25Å; F210-W242 HydrophobicContact CG-CE3 4.43Å; F210-H249 HydrophobicContact CD1-CB 3.7Å; F210-H249 HydrophobicContact CE1-CB 4.1Å; F210-H249 AromaticContact CE1-ND1 3.63Å; F210-H249 HydrophobicContact CG-CB 4.46Å
211K96.2Very high95.4Very high154 Ų15445.8 Ų45.867%0.6725%0.249SC*.  trans-120.979.7-172.6-54.1-161.3172.6-176.10111.1N188 V209N188-K211 WeakPolarHBondContact OD1-CG 3.44Å; V209-K211 HydrophobicContact CG1-CG 4.28Å
212G95.2Very high96.4Very high17 Ų1742 Ų4218%0.17523%0.231CC..  trans-128.6-25-178.600000115.4
213H97.7Very high96.9Very high11 Ų1137 Ų375%0.05121%0.205CC..  trans-72.2147.4172.3-76.1-73.7000110.8S232 V233 D236H213-S232 PolarHBondContact NE2-OG 3.33Å; H213-V233 VanDerWaalsContact CE1-C 3.42Å; H213-D236 WeakPolarHBondContact CA-OD2 3.45Å; H213-D236 IonicContact CE1-OD1 2.7Å; H213-D236 IonicContact CG-OD2 3.84Å; H213-D236 IonicContact ND1-OD1 3.66Å; H213-D236 PolarHBondContact ND1-OD1 3.38Å; H213-D236 IonicContact ND1-OD2 2.9Å; H213-D236 PolarHBondContact ND1-OD2 3.2Å
214L96.6Very high97.1Very high124 Ų12436.6 Ų36.665%0.64920%0.201SC*.SBendtrans-101.1-7.5179.3-57.9178.5000112.8D236L214-D236 HydrophobicContact CB-CB 4.15Å; L214-D236 PolarHBondContact N-OD2 3.06Å
215S97.6Very high97.2Very high38 Ų3840 Ų4027%0.26623%0.225SC..SBendtrans-141.8-171.2175.8-162.40000109H187 A217 D235H187-S215 WeakPolarHBondContact CA-O 3.35Å; H187-S215 VanDerWaalsContact CB-O 3.24Å; H187-S215 WeakPolarHBondContact CB-O 3.46Å; H187-S215 WeakPolarHBondContact ND1-CA 3.38Å; H187-S215 PolarHBondContact ND1-O 3.38Å; S215-A217 PolarHBondContact O-N 3.06Å; S215-D235 VanDerWaalsContact OG-CB 3.29Å; S215-D235 WeakPolarHBondContact OG-CB 3.26Å
216V97.9Very high97.3Very high22 Ų2238.7 Ų38.713%0.13322%0.218CC..  trans-47.6132.3179.5175.30000110.3D185 H187 E218 G234 D235D185-V216 HydrophobicContact CB-CG1 4.47Å; D185-V216 HydrophobicContact CB-CG2 4.41Å; H187-V216 PolarHBondContact ND1-N 3.07Å; H187-V216 VanDerWaalsContact ND1-N 3.15Å; V216-E218 HydrophobicContact CG1-CG 4.4Å; V216-E218 WeakPolarHBondContact CG1-OE1 3.48Å; V216-G234 CarbonylContact O-C 3.59Å; V216-G234 WeakPolarHBondContact O-CA 3.37Å; V216-D235 HydrophobicContact CB-CB 4.2Å; V216-D235 PolarHBondContact O-N 2.86Å
217A98.3Very high97.4Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-90.8110.6171.200000107.4A183 S184 I189 S215A183-A217 CarbonylContact C-O 3.55Å; A183-A217 HydrophobicContact CB-CB 3.92Å; A183-A217 VanDerWaalsContact CB-O 3.27Å; A183-A217 WeakPolarHBondContact CB-O 3.2Å; S184-A217 PolarHBondContact N-O 2.69Å; S184-A217 PolarHBondContact O-N 3.21Å; S184-A217 VanDerWaalsContact O-N 3.15Å; I189-A217 HydrophobicContact CG1-CB 4.44Å; S215-A217 PolarHBondContact O-N 3.06Å
218E98.5Very high97.5Very high31 Ų3137.5 Ų37.515%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-82.4-46.5-169.7-72.5-64.1151.400111.4G169 V216 V233 D235 V262 F263G169-E218 WeakPolarHBondContact CA-O 3Å; G169-E218 PolarHBondContact N-O 3.39Å; V216-E218 HydrophobicContact CG1-CG 4.4Å; V216-E218 WeakPolarHBondContact CG1-OE1 3.48Å; E218-V233 PolarHBondContact N-O 3.36Å; E218-D235 VanDerWaalsContact OE1-OD1 3.13Å; E218-V262 WeakPolarHBondContact CB-O 3.48Å; E218-F263 HydrophobicContact CG-CD1 4.06Å
219D98.7Very high97.6Very high8 Ų837.7 Ų37.74%0.04320%0.203CC..EExtended strand (participates in β ladder)trans-146.1156.8-174.8-160.423.5000113.5R119 G169 S232 V233 F263 C264 V265R119-D219 IonicContact NH1-OD1 3.45Å; R119-D219 PolarHBondContact NH1-OD1 3.34Å; G169-D219 WeakPolarHBondContact CA-OD1 3.26Å; D219-S232 VanDerWaalsContact O-CA 3.28Å; D219-S232 WeakPolarHBondContact O-CA 3.38Å; D219-V233 HydrophobicContact CB-CG2 3.71Å; D219-V233 PolarHBondContact N-O 2.88Å; D219-V233 PolarHBondContact O-N 2.89Å; D219-F263 WeakPolarHBondContact CB-O 3.36Å; D219-C264 WeakPolarHBondContact OD2-CA 3.38Å; D219-V265 HydrophobicContact CB-CG1 4.4Å; D219-V265 PolarHBondContact OD2-N 2.99Å
220V98.7Very high97.7Very high2 Ų235.3 Ų35.31%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-145.2135.6-17962.20000109.5S171 L181 A183 I189 F230 A231S171-V220 WeakPolarHBondContact CB-O 3.47Å; L181-V220 HydrophobicContact CB-CB 4.49Å; L181-V220 HydrophobicContact CB-CG1 3.87Å; L181-V220 HydrophobicContact CB-CG2 3.76Å; L181-V220 HydrophobicContact CD1-CG2 3.57Å; L181-V220 HydrophobicContact CG-CG2 4.2Å; A183-V220 HydrophobicContact CB-CB 4.26Å; A183-V220 HydrophobicContact CB-CG1 4.13Å; I189-V220 HydrophobicContact CG2-CG2 4.04Å; V220-F230 HydrophobicContact CG2-CD2 3.9Å; V220-F230 HydrophobicContact CG2-CE2 4.41Å; V220-A231 WeakPolarHBondContact CA-O 3.29Å; V220-A231 WeakPolarHBondContact CG2-O 3.48Å
221C98.6Very high97.7Very high13 Ų1335.3 Ų35.39%0.08819%0.189CC..EExtended strand (participates in β ladder)trans-138.4126.8-179.9-173.30000111.1F230 A231 V265 F267C221-F230 CarbonylContact O-C 3.1Å; C221-F230 VanDerWaalsContact O-CA 3.31Å; C221-F230 WeakPolarHBondContact O-CA 3.48Å; C221-F230 WeakPolarHBondContact O-CB 3.48Å; C221-A231 PolarHBondContact N-O 2.65Å; C221-A231 PolarHBondContact O-N 3.19Å; C221-V265 HydrophobicContact CB-CG1 4.03Å; C221-V265 WeakPolarHBondContact CB-O 3.3Å; C221-F267 HydrophobicContact CB-CD2 4.26Å; C221-F267 WeakPolarHBondContact O-CE2 3.43Å
222W98.7Very high97.9Very high2 Ų228 Ų281%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-68.2147.8168.7-77.6104.9000111.5S171 N173 L181 L191 A227 F230 F267S171-W222 PolarHBondContact O-NE1 3.06Å; S171-W222 PolarHBondContact OG-N 2.9Å; S171-W222 VanDerWaalsContact OG-N 3.11Å; N173-W222 HydrophobicContact CB-CD2 4.01Å; N173-W222 HydrophobicContact CB-CG 4.06Å; N173-W222 HydrophobicContact CB-CZ2 4.39Å; N173-W222 VanDerWaalsContact N-CD1 3.32Å; N173-W222 VanDerWaalsContact ND2-CE3 3.31Å; N173-W222 WeakPolarHBondContact ND2-CZ3 3.41Å; L181-W222 HydrophobicContact CD1-CD2 3.61Å; L181-W222 HydrophobicContact CD1-CE3 4.23Å; L181-W222 HydrophobicContact CD1-CG 4.01Å; L181-W222 HydrophobicContact CD1-CH2 4.1Å; L181-W222 HydrophobicContact CD1-CZ2 3.51Å; L181-W222 HydrophobicContact CD1-CZ3 4.43Å; L181-W222 VanDerWaalsContact CD1-NE1 3.34Å; L181-W222 HydrophobicContact CD2-CZ2 4.01Å; L181-W222 HydrophobicContact CG-CD2 4.35Å; L181-W222 VanDerWaalsContact CG-CE2 3.44Å; L181-W222 HydrophobicContact CG-CH2 4.39Å; L181-W222 HydrophobicContact CG-CZ2 3.49Å; L181-W222 VanDerWaalsContact CG-CZ2 3.49Å; L181-W222 VanDerWaalsContact CG-NE1 3.34Å; L191-W222 HydrophobicContact CD1-CH2 4.26Å; L191-W222 HydrophobicContact CD1-CZ2 3.65Å; W222-A227 WeakPolarHBondContact CZ3-O 3.45Å; W222-F230 HydrophobicContact CD2-CB 4.13Å; W222-F230 HydrophobicContact CE3-CB 3.76Å; W222-F230 HydrophobicContact CE3-CD1 4.22Å; W222-F230 HydrophobicContact CE3-CG 4.41Å; W222-F230 HydrophobicContact CH2-CD1 4.06Å; W222-F230 HydrophobicContact CZ3-CB 4.17Å; W222-F230 AromaticContact CZ3-CD1 3.74Å; W222-F230 HydrophobicContact CZ3-CD1 3.74Å; W222-F230 HydrophobicContact CZ3-CG 4.35Å; W222-F267 WeakPolarHBondContact O-CD2 3.48Å
223H98.6Very high98Very high8 Ų827.1 Ų27.14%0.03715%0.148CC..  trans-67.3133.7168.1-171.6-91.1000111.1S225 N226 L229 F267 E272H223-S225 VanDerWaalsContact C-N 3.29Å; H223-S225 PolarHBondContact CE1-OG 3.11Å; H223-S225 PolarHBondContact ND1-N 2.87Å; H223-S225 PolarHBondContact ND1-OG 2.85Å; H223-S225 PolarHBondContact O-N 3.34Å; H223-N226 HydrophobicContact CB-CB 4.06Å; H223-N226 WeakPolarHBondContact ND1-CB 3.46Å; H223-N226 PolarHBondContact ND1-N 3.39Å; H223-L229 HydrophobicContact CB-CB 3.85Å; H223-L229 HydrophobicContact CB-CD2 4.17Å; H223-L229 HydrophobicContact CB-CG 4.12Å; H223-L229 WeakPolarHBondContact CB-O 3.27Å; H223-L229 PolarHBondContact N-O 2.94Å; H223-F267 HydrophobicContact CB-CE2 4.45Å; H223-F267 HydrophobicContact CB-CZ 4.48Å; H223-F267 AromaticContact CD2-CD1 3.57Å; H223-F267 AromaticContact CD2-CE1 3.56Å; H223-E272 PolarHBondContact NE2-O 2.93Å
224N96.9Very high98.1Very high51 Ų5126.6 Ų26.627%0.27315%0.146SC..SBendtrans-61.4-29.7-172.5-74.3-53.6000114.9F267 S268 P269N224-F267 PolarHBondContact ND2-O 2.95Å; N224-S268 PolarHBondContact ND2-O 2.72Å; N224-S268 VanDerWaalsContact ND2-O 3.09Å; N224-P269 WeakPolarHBondContact ND2-CA 3.47Å
225S95.9Very high98.1Very high74 Ų7423 Ų2352%0.51713%0.128SC..SBendtrans-121.1-7.8-177.865.70000115.2H223H223-S225 VanDerWaalsContact C-N 3.29Å; H223-S225 PolarHBondContact CE1-OG 3.11Å; H223-S225 PolarHBondContact ND1-N 2.87Å; H223-S225 PolarHBondContact ND1-OG 2.85Å; H223-S225 PolarHBondContact O-N 3.34Å
226N97.5Very high98.2Very high59 Ų5922.9 Ų22.932%0.31612%0.124SC..  trans-113.5109.5-175.6-178.2-19.2000108.6H223 Y228 L229H223-N226 HydrophobicContact CB-CB 4.06Å; H223-N226 WeakPolarHBondContact ND1-CB 3.46Å; H223-N226 PolarHBondContact ND1-N 3.39Å; N226-Y228 PolarHBondContact O-N 2.79Å; N226-Y228 PolarHBondContact OD1-N 3.38Å; N226-L229 HydrophobicContact CB-CB 3.97Å; N226-L229 PolarHBondContact O-N 3.42Å
227A97.4Very high98.2Very high12 Ų1222.1 Ų22.110%0.09912%0.12CC..THydrogen-bonded Turntrans-55.5-21.6-176.100000115.5N173 V175 L176 W222N173-A227 PolarHBondContact ND2-O 3.05Å; V175-A227 HydrophobicContact CB-CB 3.95Å; V175-A227 HydrophobicContact CG1-CB 3.85Å; L176-A227 HydrophobicContact CD1-CB 3.95Å; L176-A227 HydrophobicContact CD2-CB 4.37Å; L176-A227 HydrophobicContact CG-CB 3.82Å; W222-A227 WeakPolarHBondContact CZ3-O 3.45Å
228Y97.8Very high98.2Very high93 Ų9325.8 Ų25.837%0.36513%0.134SC..THydrogen-bonded Turntrans-118.2-6.5-170.3-53.2-74.1000113.9L176 N226 D243 S244 R245L176-Y228 HydrophobicContact CD1-CE1 4.12Å; N226-Y228 PolarHBondContact O-N 2.79Å; N226-Y228 PolarHBondContact OD1-N 3.38Å; Y228-D243 CarbonylContact O-C 3.48Å; Y228-D243 WeakPolarHBondContact O-CA 3.27Å; Y228-S244 WeakPolarHBondContact CA-OG 3.36Å; Y228-S244 PolarHBondContact O-N 2.73Å; Y228-S244 PolarHBondContact O-OG 3.43Å; Y228-R245 HydrophobicContact CD1-CG 3.46Å; Y228-R245 VanDerWaalsContact CD1-CG 3.46Å; Y228-R245 HydrophobicContact CD2-CG 4.42Å; Y228-R245 HydrophobicContact CE1-CG 4.03Å; Y228-R245 VanDerWaalsContact CG-CD 3.45Å; Y228-R245 HydrophobicContact CG-CG 3.68Å
229L98.2Very high98.2Very high22 Ų2224.3 Ų24.312%0.11513%0.127CC..EExtended strand (participates in β ladder)trans-98.9133.3-178.2-176.165.4000110.1H223 N226 L241 W242 I289H223-L229 HydrophobicContact CB-CB 3.85Å; H223-L229 HydrophobicContact CB-CD2 4.17Å; H223-L229 HydrophobicContact CB-CG 4.12Å; H223-L229 WeakPolarHBondContact CB-O 3.27Å; H223-L229 PolarHBondContact N-O 2.94Å; N226-L229 HydrophobicContact CB-CB 3.97Å; N226-L229 PolarHBondContact O-N 3.42Å; L229-L241 HydrophobicContact CD1-CD1 3.63Å; L229-L241 HydrophobicContact CD1-CD2 3.9Å; L229-L241 HydrophobicContact CD1-CG 3.56Å; L229-L241 HydrophobicContact CD2-CD1 4.41Å; L229-L241 HydrophobicContact CG-CD1 4.06Å; L229-W242 WeakPolarHBondContact CA-O 3.46Å; L229-W242 VanDerWaalsContact CD1-O 3.25Å; L229-W242 WeakPolarHBondContact CD1-O 3.49Å; L229-I289 HydrophobicContact CD2-CD1 3.92Å
230F98.7Very high98.1Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-146160.7170.965.7-86.6000110.7L181 I189 F210 V220 C221 W222 W242L181-F230 HydrophobicContact CD1-CB 3.61Å; L181-F230 HydrophobicContact CD1-CD1 3.94Å; L181-F230 HydrophobicContact CD1-CD2 3.56Å; L181-F230 HydrophobicContact CD1-CE1 4.47Å; L181-F230 HydrophobicContact CD1-CE2 4.13Å; L181-F230 HydrophobicContact CD1-CG 3.44Å; L181-F230 VanDerWaalsContact CD1-CG 3.44Å; L181-F230 HydrophobicContact CD2-CE2 4.38Å; L181-F230 HydrophobicContact CD2-CZ 4.35Å; I189-F230 HydrophobicContact CD1-CE2 4.4Å; I189-F230 HydrophobicContact CG2-CE2 4.14Å; F210-F230 AromaticContact CD1-CZ 3.91Å; F210-F230 HydrophobicContact CD1-CZ 3.91Å; F210-F230 AromaticContact CD2-CZ 3.85Å; F210-F230 HydrophobicContact CD2-CZ 3.85Å; F210-F230 HydrophobicContact CE1-CE1 4.05Å; F210-F230 AromaticContact CE1-CZ 3.82Å; F210-F230 HydrophobicContact CE1-CZ 3.82Å; F210-F230 HydrophobicContact CE2-CE1 4.19Å; F210-F230 AromaticContact CE2-CZ 3.77Å; F210-F230 HydrophobicContact CE2-CZ 3.77Å; F210-F230 AromaticContact CG-CZ 3.93Å; F210-F230 HydrophobicContact CG-CZ 3.93Å; F210-F230 AromaticContact CZ-CE1 3.85Å; F210-F230 HydrophobicContact CZ-CE1 3.85Å; F210-F230 AromaticContact CZ-CZ 3.76Å; F210-F230 HydrophobicContact CZ-CZ 3.76Å; V220-F230 HydrophobicContact CG2-CD2 3.9Å; V220-F230 HydrophobicContact CG2-CE2 4.41Å; C221-F230 CarbonylContact O-C 3.1Å; C221-F230 VanDerWaalsContact O-CA 3.31Å; C221-F230 WeakPolarHBondContact O-CA 3.48Å; C221-F230 WeakPolarHBondContact O-CB 3.48Å; W222-F230 HydrophobicContact CD2-CB 4.13Å; W222-F230 HydrophobicContact CE3-CB 3.76Å; W222-F230 HydrophobicContact CE3-CD1 4.22Å; W222-F230 HydrophobicContact CE3-CG 4.41Å; W222-F230 HydrophobicContact CH2-CD1 4.06Å; W222-F230 HydrophobicContact CZ3-CB 4.17Å; W222-F230 AromaticContact CZ3-CD1 3.74Å; W222-F230 HydrophobicContact CZ3-CD1 3.74Å; W222-F230 HydrophobicContact CZ3-CG 4.35Å; F230-W242 HydrophobicContact CD1-CB 3.74Å; F230-W242 HydrophobicContact CD2-CB 3.84Å; F230-W242 AromaticContact CD2-CD1 3.46Å; F230-W242 VanDerWaalsContact CD2-CD1 3.46Å; F230-W242 AromaticContact CD2-CG 3.85Å; F230-W242 HydrophobicContact CD2-CG 3.85Å; F230-W242 HydrophobicContact CE1-CB 3.34Å; F230-W242 HydrophobicContact CE1-CG 4.1Å; F230-W242 HydrophobicContact CE2-CB 3.46Å; F230-W242 VanDerWaalsContact CE2-CB 3.46Å; F230-W242 AromaticContact CE2-CD1 3.19Å; F230-W242 HydrophobicContact CE2-CD2 4.02Å; F230-W242 AromaticContact CE2-CG 3.28Å; F230-W242 HydrophobicContact CE2-CG 3.28Å; F230-W242 AromaticContact CE2-NE1 3.82Å; F230-W242 HydrophobicContact CG-CB 3.97Å; F230-W242 HydrophobicContact CG-CG 4.47Å; F230-W242 HydrophobicContact CZ-CB 3.19Å; F230-W242 AromaticContact CZ-CD1 3.87Å; F230-W242 HydrophobicContact CZ-CD2 4.07Å; F230-W242 AromaticContact CZ-CG 3.44Å; F230-W242 HydrophobicContact CZ-CG 3.44Å; F230-W242 VanDerWaalsContact CZ-CG 3.44Å; F230-W242 PolarHBondContact N-O 2.88Å; F230-W242 PolarHBondContact O-N 2.84Å
231A98.7Very high98.1Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-116.5153.9174.800000110.2V220 C221 L239 L240 L241 V265 F267 L275V220-A231 WeakPolarHBondContact CA-O 3.29Å; V220-A231 WeakPolarHBondContact CG2-O 3.48Å; C221-A231 PolarHBondContact N-O 2.65Å; C221-A231 PolarHBondContact O-N 3.19Å; A231-L239 HydrophobicContact CB-CD1 4.05Å; A231-L240 CarbonylContact C-O 3.57Å; A231-L240 VanDerWaalsContact CA-O 3.26Å; A231-L240 WeakPolarHBondContact CA-O 3.3Å; A231-L241 HydrophobicContact CB-CD1 4.31Å; A231-V265 HydrophobicContact CB-CG2 4Å; A231-F267 HydrophobicContact CB-CE2 3.53Å; A231-F267 HydrophobicContact CB-CZ 3.72Å; A231-L275 HydrophobicContact CB-CD2 4.33Å
232S98.8Very high98.1Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-142.5155.9170.569.20000111.5I189 H213 D219 L240 W242I189-S232 WeakPolarHBondContact CD1-OG 3.25Å; H213-S232 PolarHBondContact NE2-OG 3.33Å; D219-S232 VanDerWaalsContact O-CA 3.28Å; D219-S232 WeakPolarHBondContact O-CA 3.38Å; S232-L240 PolarHBondContact N-O 3.47Å; S232-L240 PolarHBondContact O-N 3.07Å; S232-W242 PolarHBondContact OG-NE1 3.12Å
233V98.8Very high98.1Very high0 Ų025.6 Ų25.60%013%0.133CC..EExtended strand (participates in β ladder)trans-135.9159.9-179.3-67.70000110.9H213 E218 D219 R238 L239 V262 V265 T277H213-V233 VanDerWaalsContact CE1-C 3.42Å; E218-V233 PolarHBondContact N-O 3.36Å; D219-V233 HydrophobicContact CB-CG2 3.71Å; D219-V233 PolarHBondContact N-O 2.88Å; D219-V233 PolarHBondContact O-N 2.89Å; V233-R238 WeakPolarHBondContact CA-O 3.41Å; V233-L239 HydrophobicContact CG1-CB 4.39Å; V233-L239 HydrophobicContact CG1-CD1 3.8Å; V233-V262 HydrophobicContact CB-CB 3.83Å; V233-V262 HydrophobicContact CB-CG1 3.5Å; V233-V262 VanDerWaalsContact CB-CG1 3.5Å; V233-V262 HydrophobicContact CG1-CB 4.27Å; V233-V262 HydrophobicContact CG1-CG1 3.51Å; V233-V262 HydrophobicContact CG2-CG1 4.02Å; V233-V262 WeakPolarHBondContact CG2-O 3.35Å; V233-V265 HydrophobicContact CG1-CB 3.8Å; V233-V265 HydrophobicContact CG1-CG1 4.15Å; V233-V265 HydrophobicContact CG1-CG2 4.38Å; V233-V265 HydrophobicContact CG2-CB 4.07Å; V233-V265 HydrophobicContact CG2-CG1 3.93Å; V233-T277 HydrophobicContact CG1-CG2 3.98Å
234G98.4Very high98Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-166.4-179.2-179.500000115.1V216 D236 G237 V262V216-G234 CarbonylContact O-C 3.59Å; V216-G234 WeakPolarHBondContact O-CA 3.37Å; G234-D236 PolarHBondContact O-N 3.06Å; G234-D236 VanDerWaalsContact O-N 3.13Å; G234-G237 PolarHBondContact O-N 2.79Å; G234-V262 PolarHBondContact N-O 3.41Å; G234-V262 PolarHBondContact O-N 2.89Å
235D98.4Very high98Very high49 Ų4931.1 Ų31.126%0.26215%0.153SC..THydrogen-bonded Turntrans-63.5-15.2-179.3-84.23.8000114.1S215 V216 E218 G237 E261S215-D235 VanDerWaalsContact OG-CB 3.29Å; S215-D235 WeakPolarHBondContact OG-CB 3.26Å; V216-D235 HydrophobicContact CB-CB 4.2Å; V216-D235 PolarHBondContact O-N 2.86Å; E218-D235 VanDerWaalsContact OE1-OD1 3.13Å; D235-G237 PolarHBondContact O-N 3.25Å; D235-E261 HydrophobicContact CB-CG 4.01Å; D235-E261 WeakPolarHBondContact OD1-CB 3.25Å; D235-E261 VanDerWaalsContact OD1-CG 3.27Å; D235-E261 WeakPolarHBondContact OD1-CG 2.84Å
236D97.9Very high98Very high35 Ų3528.9 Ų28.919%0.18714%0.139CC..THydrogen-bonded Turntrans-75.14.5172.962.9-2.4000113.2H213 L214 G234 R238H213-D236 WeakPolarHBondContact CA-OD2 3.45Å; H213-D236 IonicContact CE1-OD1 2.7Å; H213-D236 IonicContact CG-OD2 3.84Å; H213-D236 IonicContact ND1-OD1 3.66Å; H213-D236 PolarHBondContact ND1-OD1 3.38Å; H213-D236 IonicContact ND1-OD2 2.9Å; H213-D236 PolarHBondContact ND1-OD2 3.2Å; L214-D236 HydrophobicContact CB-CB 4.15Å; L214-D236 PolarHBondContact N-OD2 3.06Å; G234-D236 PolarHBondContact O-N 3.06Å; G234-D236 VanDerWaalsContact O-N 3.13Å; D236-R238 HydrophobicContact CB-CG 4.4Å; D236-R238 PolarHBondContact O-N 2.7Å; D236-R238 WeakPolarHBondContact OD1-CB 3.4Å; D236-R238 PolarHBondContact OD1-N 2.89Å
237G97.8Very high97.7Very high6 Ų631.9 Ų31.96%0.06217%0.165CC..SBendtrans72.315.817900000112.9G234 D235 A257 H258 G260G234-G237 PolarHBondContact O-N 2.79Å; D235-G237 PolarHBondContact O-N 3.25Å; G237-A257 PolarHBondContact O-N 3.21Å; G237-H258 PolarHBondContact O-N 2.76Å; G237-G260 WeakPolarHBondContact CA-O 3.41Å
238R98.2Very high97.6Very high76 Ų7636.4 Ų36.429%0.28719%0.187SC..EExtended strand (participates in β ladder)trans-105146.9-170.8-62.9-173.2171.5-174.9-3.9113V233 D236 L240 V255V233-R238 WeakPolarHBondContact CA-O 3.41Å; D236-R238 HydrophobicContact CB-CG 4.4Å; D236-R238 PolarHBondContact O-N 2.7Å; D236-R238 WeakPolarHBondContact OD1-CB 3.4Å; D236-R238 PolarHBondContact OD1-N 2.89Å; R238-L240 HydrophobicContact CB-CD2 4.19Å; R238-L240 HydrophobicContact CB-CG 4.49Å; R238-V255 VanDerWaalsContact CA-O 3.26Å; R238-V255 WeakPolarHBondContact CA-O 3.29Å
239L98.6Very high97.4Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-105.8123.4159.9170.265.2000107.8A231 V233 V255 A257 V265 L275 T277 W287 L292A231-L239 HydrophobicContact CB-CD1 4.05Å; V233-L239 HydrophobicContact CG1-CB 4.39Å; V233-L239 HydrophobicContact CG1-CD1 3.8Å; L239-V255 HydrophobicContact CB-CG2 3.98Å; L239-V255 HydrophobicContact CD2-CG2 4.4Å; L239-V255 HydrophobicContact CG-CG2 4.46Å; L239-V255 PolarHBondContact N-O 2.69Å; L239-V255 PolarHBondContact O-N 2.99Å; L239-V255 VanDerWaalsContact O-N 3.07Å; L239-A257 HydrophobicContact CB-CB 3.66Å; L239-V265 HydrophobicContact CD1-CG2 4.15Å; L239-L275 HydrophobicContact CD1-CD1 4.23Å; L239-L275 HydrophobicContact CD2-CD1 3.75Å; L239-T277 HydrophobicContact CD1-CG2 4.19Å; L239-T277 HydrophobicContact CD2-CG2 4.33Å; L239-W287 HydrophobicContact CD2-CD2 4.1Å; L239-W287 HydrophobicContact CD2-CG 4.04Å; L239-L292 HydrophobicContact CD2-CD2 3.97Å
240L98.4Very high97.3Very high1 Ų136.1 Ų36.11%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-113.1137.3176.5-55.3-175000109.4A231 S232 R238 W242 P251 S254A231-L240 CarbonylContact C-O 3.57Å; A231-L240 VanDerWaalsContact CA-O 3.26Å; A231-L240 WeakPolarHBondContact CA-O 3.3Å; S232-L240 PolarHBondContact N-O 3.47Å; S232-L240 PolarHBondContact O-N 3.07Å; R238-L240 HydrophobicContact CB-CD2 4.19Å; R238-L240 HydrophobicContact CB-CG 4.49Å; L240-W242 HydrophobicContact CB-CZ2 3.86Å; L240-W242 HydrophobicContact CD1-CH2 4.04Å; L240-W242 HydrophobicContact CD1-CZ2 3.39Å; L240-W242 HydrophobicContact CG-CZ2 4.26Å; L240-P251 HydrophobicContact CB-CB 4.21Å; L240-P251 HydrophobicContact CD2-CB 4.45Å; L240-S254 WeakPolarHBondContact CD2-OG 3.18Å
241L98.4Very high97.2Very high7 Ų738 Ų384%0.03721%0.206CC..EExtended strand (participates in β ladder)trans-114131.4174.3-169.173.8000109.3L229 A231 P251 S252 Q253 F267 I289 L292L229-L241 HydrophobicContact CD1-CD1 3.63Å; L229-L241 HydrophobicContact CD1-CD2 3.9Å; L229-L241 HydrophobicContact CD1-CG 3.56Å; L229-L241 HydrophobicContact CD2-CD1 4.41Å; L229-L241 HydrophobicContact CG-CD1 4.06Å; A231-L241 HydrophobicContact CB-CD1 4.31Å; L241-P251 CarbonylContact O-C 3.6Å; L241-S252 PolarHBondContact O-N 3.3Å; L241-S252 PolarHBondContact O-OG 3.18Å; L241-Q253 HydrophobicContact CB-CB 4.12Å; L241-Q253 PolarHBondContact N-O 2.85Å; L241-Q253 PolarHBondContact O-N 3.47Å; L241-F267 HydrophobicContact CD1-CZ 3.97Å; L241-I289 HydrophobicContact CD1-CG2 4.42Å; L241-I289 HydrophobicContact CD2-CB 4.24Å; L241-L292 HydrophobicContact CB-CD1 3.99Å; L241-L292 HydrophobicContact CD2-CD1 4.19Å
242W98.5Very high97.1Very high1 Ų141.3 Ų41.30%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-125.2146.2-168-54.190.8000112.2I189 F210 L229 F230 S232 L240 H249 P251I189-W242 HydrophobicContact CD1-CZ2 3.8Å; F210-W242 HydrophobicContact CB-CE3 4.21Å; F210-W242 HydrophobicContact CB-CH2 4Å; F210-W242 HydrophobicContact CB-CZ2 4.49Å; F210-W242 HydrophobicContact CB-CZ3 3.88Å; F210-W242 AromaticContact CD1-CE3 3.93Å; F210-W242 HydrophobicContact CD1-CE3 3.93Å; F210-W242 HydrophobicContact CD1-CZ3 4.25Å; F210-W242 HydrophobicContact CG-CE3 4.43Å; L229-W242 WeakPolarHBondContact CA-O 3.46Å; L229-W242 VanDerWaalsContact CD1-O 3.25Å; L229-W242 WeakPolarHBondContact CD1-O 3.49Å; F230-W242 HydrophobicContact CD1-CB 3.74Å; F230-W242 HydrophobicContact CD2-CB 3.84Å; F230-W242 AromaticContact CD2-CD1 3.46Å; F230-W242 VanDerWaalsContact CD2-CD1 3.46Å; F230-W242 AromaticContact CD2-CG 3.85Å; F230-W242 HydrophobicContact CD2-CG 3.85Å; F230-W242 HydrophobicContact CE1-CB 3.34Å; F230-W242 HydrophobicContact CE1-CG 4.1Å; F230-W242 HydrophobicContact CE2-CB 3.46Å; F230-W242 VanDerWaalsContact CE2-CB 3.46Å; F230-W242 AromaticContact CE2-CD1 3.19Å; F230-W242 HydrophobicContact CE2-CD2 4.02Å; F230-W242 AromaticContact CE2-CG 3.28Å; F230-W242 HydrophobicContact CE2-CG 3.28Å; F230-W242 AromaticContact CE2-NE1 3.82Å; F230-W242 HydrophobicContact CG-CB 3.97Å; F230-W242 HydrophobicContact CG-CG 4.47Å; F230-W242 HydrophobicContact CZ-CB 3.19Å; F230-W242 AromaticContact CZ-CD1 3.87Å; F230-W242 HydrophobicContact CZ-CD2 4.07Å; F230-W242 AromaticContact CZ-CG 3.44Å; F230-W242 HydrophobicContact CZ-CG 3.44Å; F230-W242 VanDerWaalsContact CZ-CG 3.44Å; F230-W242 PolarHBondContact N-O 2.88Å; F230-W242 PolarHBondContact O-N 2.84Å; S232-W242 PolarHBondContact OG-NE1 3.12Å; L240-W242 HydrophobicContact CB-CZ2 3.86Å; L240-W242 HydrophobicContact CD1-CH2 4.04Å; L240-W242 HydrophobicContact CD1-CZ2 3.39Å; L240-W242 HydrophobicContact CG-CZ2 4.26Å; W242-H249 VanDerWaalsContact CZ3-O 3.28Å; W242-H249 WeakPolarHBondContact CZ3-O 3.41Å; W242-P251 HydrophobicContact CD2-CB 4.04Å; W242-P251 VanDerWaalsContact CE3-CA 3.44Å; W242-P251 HydrophobicContact CE3-CB 3.78Å; W242-P251 HydrophobicContact CH2-CB 4.09Å; W242-P251 HydrophobicContact CH2-CG 4.27Å; W242-P251 HydrophobicContact CZ2-CB 4.3Å; W242-P251 HydrophobicContact CZ3-CB 3.78Å; W242-P251 VanDerWaalsContact CZ3-CD 3.46Å; W242-P251 HydrophobicContact CZ3-CG 4.1Å; W242-P251 VanDerWaalsContact CZ3-N 3.32Å
243D97.7Very high97Very high43 Ų4344.4 Ų44.423%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-111.7115.8165-170.7-31.4000108Y228 R245 A246Y228-D243 CarbonylContact O-C 3.48Å; Y228-D243 WeakPolarHBondContact O-CA 3.27Å; D243-R245 PolarHBondContact O-N 3.41Å; D243-R245 VanDerWaalsContact OD1-CB 3.25Å; D243-R245 WeakPolarHBondContact OD1-CB 3.35Å; D243-R245 WeakPolarHBondContact OD1-CG 2.74Å; D243-R245 IonicContact OD1-CZ 3.63Å; D243-R245 PolarHBondContact OD1-N 2.92Å; D243-R245 IonicContact OD1-NE 3.52Å; D243-R245 PolarHBondContact OD1-NE 2.85Å; D243-R245 IonicContact OD1-NH2 2.77Å; D243-R245 IonicContact OD2-CZ 3.56Å; D243-R245 IonicContact OD2-NE 3.54Å; D243-R245 PolarHBondContact OD2-NE 3.02Å; D243-R245 IonicContact OD2-NH2 3.07Å; D243-R245 PolarHBondContact OD2-NH2 3.42Å; D243-A246 VanDerWaalsContact O-CB 3.29Å; D243-A246 WeakPolarHBondContact O-CB 3.42Å; D243-A246 PolarHBondContact O-N 2.91Å
244S96.9Very high96.9Very high22 Ų2247 Ų4715%0.15426%0.262CS..THydrogen-bonded Turntrans-64-13.3-177.965.30000113.4Y228Y228-S244 WeakPolarHBondContact CA-OG 3.36Å; Y228-S244 PolarHBondContact O-N 2.73Å; Y228-S244 PolarHBondContact O-OG 3.43Å
245R96.4Very high96.9Very high154 Ų15448.1 Ų48.158%0.58127%0.269SS*.THydrogen-bonded Turntrans-86.6-11.3175.8-54.2168.7-64.9177.84.4113Y228 D243 S247Y228-R245 HydrophobicContact CD1-CG 3.46Å; Y228-R245 VanDerWaalsContact CD1-CG 3.46Å; Y228-R245 HydrophobicContact CD2-CG 4.42Å; Y228-R245 HydrophobicContact CE1-CG 4.03Å; Y228-R245 VanDerWaalsContact CG-CD 3.45Å; Y228-R245 HydrophobicContact CG-CG 3.68Å; D243-R245 PolarHBondContact O-N 3.41Å; D243-R245 VanDerWaalsContact OD1-CB 3.25Å; D243-R245 WeakPolarHBondContact OD1-CB 3.35Å; D243-R245 WeakPolarHBondContact OD1-CG 2.74Å; D243-R245 IonicContact OD1-CZ 3.63Å; D243-R245 PolarHBondContact OD1-N 2.92Å; D243-R245 IonicContact OD1-NE 3.52Å; D243-R245 PolarHBondContact OD1-NE 2.85Å; D243-R245 IonicContact OD1-NH2 2.77Å; D243-R245 IonicContact OD2-CZ 3.56Å; D243-R245 IonicContact OD2-NE 3.54Å; D243-R245 PolarHBondContact OD2-NE 3.02Å; D243-R245 IonicContact OD2-NH2 3.07Å; D243-R245 PolarHBondContact OD2-NH2 3.42Å; R245-S247 PolarHBondContact O-N 2.8Å
246A95.6Very high96.8Very high27 Ų2750.9 Ų50.922%0.22329%0.288CS..  trans-63.8122.4179.400000110.2D243 D248 H249D243-A246 VanDerWaalsContact O-CB 3.29Å; D243-A246 WeakPolarHBondContact O-CB 3.42Å; D243-A246 PolarHBondContact O-N 2.91Å; A246-D248 PolarHBondContact O-N 3.03Å; A246-H249 PolarHBondContact O-N 2.84Å; A246-H249 VanDerWaalsContact O-N 3.14Å; A246-H249 PolarHBondContact O-ND1 2.76Å
247S92.4Very high96.8Very high122 Ų12249.3 Ų49.385%0.85328%0.279SS*.THydrogen-bonded Turntrans-67.9-23.3-172.856.50000114.2R245R245-S247 PolarHBondContact O-N 2.8Å
248D94.3Very high96.8Very high107 Ų10749.3 Ų49.357%0.57228%0.278SS*.THydrogen-bonded Turntrans-95.8-1.8178.667.1-7.4000112.8A246 S250A246-D248 PolarHBondContact O-N 3.03Å; D248-S250 PolarHBondContact O-N 3.21Å; D248-S250 VanDerWaalsContact O-N 3.14Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-N 3.07Å; D248-S250 PolarHBondContact OD1-OG 2.89Å; D248-S250 WeakPolarHBondContact OD2-CB 3.31Å; D248-S250 PolarHBondContact OD2-OG 3.06Å
249H93.8Very high96.8Very high59 Ų5952.2 Ų52.227%0.27330%0.304SS..  trans51.331.6-175.3-54.4-58.1000113.2S208 F210 W242 A246S208-H249 PolarHBondContact OG-CE1 3.5Å; F210-H249 HydrophobicContact CD1-CB 3.7Å; F210-H249 HydrophobicContact CE1-CB 4.1Å; F210-H249 AromaticContact CE1-ND1 3.63Å; F210-H249 HydrophobicContact CG-CB 4.46Å; W242-H249 VanDerWaalsContact CZ3-O 3.28Å; W242-H249 WeakPolarHBondContact CZ3-O 3.41Å; A246-H249 PolarHBondContact O-N 2.84Å; A246-H249 VanDerWaalsContact O-N 3.14Å; A246-H249 PolarHBondContact O-ND1 2.76Å
250S95.9Very high96.7Very high50 Ų5053 Ų5335%0.3531%0.313SS..  trans-84.9151174.769.10000111.4D248 S252D248-S250 PolarHBondContact O-N 3.21Å; D248-S250 VanDerWaalsContact O-N 3.14Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-N 3.07Å; D248-S250 PolarHBondContact OD1-OG 2.89Å; D248-S250 WeakPolarHBondContact OD2-CB 3.31Å; D248-S250 PolarHBondContact OD2-OG 3.06Å; S250-S252 PolarHBondContact O-N 3.27Å
251P97.3Very high96.7Very high38 Ų3857 Ų5725%0.24733%0.331CS..EExtended strand (participates in β ladder)trans-69.2133.2176.228.6-32.9000109.9L240 L241 W242 Q253L240-P251 HydrophobicContact CB-CB 4.21Å; L240-P251 HydrophobicContact CD2-CB 4.45Å; L241-P251 CarbonylContact O-C 3.6Å; W242-P251 HydrophobicContact CD2-CB 4.04Å; W242-P251 VanDerWaalsContact CE3-CA 3.44Å; W242-P251 HydrophobicContact CE3-CB 3.78Å; W242-P251 HydrophobicContact CH2-CB 4.09Å; W242-P251 HydrophobicContact CH2-CG 4.27Å; W242-P251 HydrophobicContact CZ2-CB 4.3Å; W242-P251 HydrophobicContact CZ3-CB 3.78Å; W242-P251 VanDerWaalsContact CZ3-CD 3.46Å; W242-P251 HydrophobicContact CZ3-CG 4.1Å; W242-P251 VanDerWaalsContact CZ3-N 3.32Å; P251-Q253 VanDerWaalsContact C-N 3.29Å; P251-Q253 PolarHBondContact O-N 3.39Å
252S96.1Very high96.7Very high70 Ų7056.6 Ų56.649%0.4933%0.33SS..EExtended strand (participates in β ladder)trans-65.5-34.3175.468.70000112.3L241 S250L241-S252 PolarHBondContact O-N 3.3Å; L241-S252 PolarHBondContact O-OG 3.18Å; S250-S252 PolarHBondContact O-N 3.27Å
253Q97Very high96.7Very high65 Ų6557.6 Ų57.630%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-141.1146.1173.6-60.9-174.467.700109.2L241 P251 I289 L292L241-Q253 HydrophobicContact CB-CB 4.12Å; L241-Q253 PolarHBondContact N-O 2.85Å; L241-Q253 PolarHBondContact O-N 3.47Å; P251-Q253 VanDerWaalsContact C-N 3.29Å; P251-Q253 PolarHBondContact O-N 3.39Å; Q253-I289 PolarHBondContact NE2-O 2.92Å; Q253-L292 HydrophobicContact CB-CD1 3.89Å; Q253-L292 HydrophobicContact CG-CD1 4.48Å
254S96.7Very high96.8Very high56 Ų5655.6 Ų55.639%0.39232%0.323SS..EExtended strand (participates in β ladder)trans-142.2124.6177.7178.90000108.7L240L240-S254 WeakPolarHBondContact CD2-OG 3.18Å
255V97.6Very high96.9Very high23 Ų2354.7 Ų54.714%0.13932%0.317CS..EExtended strand (participates in β ladder)trans-136.8146.1-179.5-60.20000110.6R238 L239 A257 W287 L292R238-V255 VanDerWaalsContact CA-O 3.26Å; R238-V255 WeakPolarHBondContact CA-O 3.29Å; L239-V255 HydrophobicContact CB-CG2 3.98Å; L239-V255 HydrophobicContact CD2-CG2 4.4Å; L239-V255 HydrophobicContact CG-CG2 4.46Å; L239-V255 PolarHBondContact N-O 2.69Å; L239-V255 PolarHBondContact O-N 2.99Å; L239-V255 VanDerWaalsContact O-N 3.07Å; V255-A257 PolarHBondContact O-N 3.27Å; V255-W287 HydrophobicContact CG2-CZ3 4.46Å; V255-L292 HydrophobicContact CG1-CB 3.92Å; V255-L292 WeakPolarHBondContact CG1-O 3.23Å; V255-L292 HydrophobicContact CG2-CB 4.28Å
256T97.7Very high97Very high106 Ų10648.7 Ų48.765%0.6530%0.296SS*.EExtended strand (participates in β ladder)trans-73.1105.1165-61.30000107.2H258T256-H258 WeakPolarHBondContact CG2-O 3.47Å
257A97.5Very high97.1Very high2 Ų247.5 Ų47.52%0.01729%0.286CS..  trans-81.4-43.6-172.800000111.1G237 L239 V255 V262 W287 K295G237-A257 PolarHBondContact O-N 3.21Å; L239-A257 HydrophobicContact CB-CB 3.66Å; V255-A257 PolarHBondContact O-N 3.27Å; A257-V262 HydrophobicContact CB-CG2 4.25Å; A257-W287 HydrophobicContact CB-CH2 4.06Å; A257-W287 HydrophobicContact CB-CZ2 3.61Å; A257-W287 WeakPolarHBondContact O-CZ2 3.44Å; A257-K295 WeakPolarHBondContact O-CE 3.34Å; A257-K295 PolarHBondContact O-NZ 2.97Å
258H98.2Very high97.4Very high6 Ų641.8 Ų41.83%0.02825%0.246CC..  trans-134.3172.2-175-75.3-96000112G237 T256 V262 T277 S279 D281 T283 A285G237-H258 PolarHBondContact O-N 2.76Å; T256-H258 WeakPolarHBondContact CG2-O 3.47Å; H258-V262 HydrophobicContact CB-CG2 3.77Å; H258-T277 PolarHBondContact NE2-OG1 3.24Å; H258-S279 VanDerWaalsContact CB-OG 3.3Å; H258-S279 WeakPolarHBondContact CB-OG 3.22Å; H258-S279 WeakPolarHBondContact ND1-CB 3.41Å; H258-S279 PolarHBondContact ND1-OG 2.99Å; H258-D281 VanDerWaalsContact CB-OD2 3.29Å; H258-D281 WeakPolarHBondContact CB-OD2 3.35Å; H258-D281 IonicContact CE1-OD1 3.43Å; H258-D281 IonicContact CG-OD1 2.84Å; H258-D281 IonicContact CG-OD2 2.73Å; H258-D281 VanDerWaalsContact ND1-CG 3.31Å; H258-D281 IonicContact ND1-OD1 3.95Å; H258-D281 PolarHBondContact ND1-OD1 2.96Å; H258-D281 IonicContact ND1-OD2 3.83Å; H258-D281 PolarHBondContact ND1-OD2 2.94Å; H258-T283 PolarHBondContact CE1-OG1 2.99Å; H258-T283 PolarHBondContact ND1-OG1 2.99Å; H258-A285 WeakPolarHBondContact NE2-CB 3.47Å
259T97.4Very high97.5Very high137 Ų13739.4 Ų39.484%0.8424%0.237SC*.SBendtrans-88.7-9.417757.40000113.5D281T259-D281 PolarHBondContact N-OD2 3.24Å; T259-D281 VanDerWaalsContact N-OD2 3.09Å; T259-D281 VanDerWaalsContact OG1-CB 3.27Å; T259-D281 WeakPolarHBondContact OG1-CB 3.39Å; T259-D281 PolarHBondContact OG1-OD2 3.14Å
260G97.4Very high97.7Very high18 Ų1841.3 Ų41.319%0.18624%0.244CC..SBendtrans-128.7-168.1170.700000111.7G237G237-G260 WeakPolarHBondContact CA-O 3.41Å
261E98.4Very high97.8Very high83 Ų8342 Ų4239%0.38824%0.244SC..  trans-57.1140.3175.6-61.586.2167.900111.1D235 F263 S279 A280D235-E261 HydrophobicContact CB-CG 4.01Å; D235-E261 WeakPolarHBondContact OD1-CB 3.25Å; D235-E261 VanDerWaalsContact OD1-CG 3.27Å; D235-E261 WeakPolarHBondContact OD1-CG 2.84Å; E261-F263 HydrophobicContact CB-CE1 3.82Å; E261-F263 HydrophobicContact CB-CZ 3.83Å; E261-S279 CarbonylContact O-C 3.57Å; E261-S279 WeakPolarHBondContact O-CA 3.42Å; E261-S279 WeakPolarHBondContact O-CB 3.29Å; E261-S279 PolarHBondContact O-OG 3.41Å; E261-A280 HydrophobicContact CB-CB 4.13Å; E261-A280 PolarHBondContact O-N 2.95Å; E261-A280 WeakPolarHBondContact OE2-CB 3.37Å
262V98.7Very high97.7Very high0 Ų045.7 Ų45.70%026%0.258CS..EExtended strand (participates in β ladder)trans-110109.7179.2-172.30000108.9E218 V233 G234 A257 H258 T277 G278E218-V262 WeakPolarHBondContact CB-O 3.48Å; V233-V262 HydrophobicContact CB-CB 3.83Å; V233-V262 HydrophobicContact CB-CG1 3.5Å; V233-V262 VanDerWaalsContact CB-CG1 3.5Å; V233-V262 HydrophobicContact CG1-CB 4.27Å; V233-V262 HydrophobicContact CG1-CG1 3.51Å; V233-V262 HydrophobicContact CG2-CG1 4.02Å; V233-V262 WeakPolarHBondContact CG2-O 3.35Å; G234-V262 PolarHBondContact N-O 3.41Å; G234-V262 PolarHBondContact O-N 2.89Å; A257-V262 HydrophobicContact CB-CG2 4.25Å; H258-V262 HydrophobicContact CB-CG2 3.77Å; V262-T277 HydrophobicContact CG1-CG2 4.34Å; V262-G278 WeakPolarHBondContact CG1-O 3.35Å
263F98.5Very high97.8Very high22 Ų2243.5 Ų43.510%0.09624%0.241CC..EExtended strand (participates in β ladder)trans-89.1-27.3-168.2-63.3-56.1000114.5E218 D219 E261 G278 A280 D305 V306 F307E218-F263 HydrophobicContact CG-CD1 4.06Å; D219-F263 WeakPolarHBondContact CB-O 3.36Å; E261-F263 HydrophobicContact CB-CE1 3.82Å; E261-F263 HydrophobicContact CB-CZ 3.83Å; F263-G278 PolarHBondContact N-O 2.84Å; F263-A280 HydrophobicContact CE2-CB 3.61Å; F263-A280 HydrophobicContact CZ-CB 3.89Å; F263-D305 HydrophobicContact CE2-CB 3.92Å; F263-V306 WeakPolarHBondContact CD2-O 3.28Å; F263-F307 HydrophobicContact CB-CD1 4.26Å; F263-F307 HydrophobicContact CD1-CD1 4.39Å; F263-F307 AromaticContact CD1-CE1 3.98Å; F263-F307 HydrophobicContact CD1-CE1 3.98Å; F263-F307 HydrophobicContact CD2-CD1 4.17Å; F263-F307 HydrophobicContact CD2-CE1 4.1Å; F263-F307 HydrophobicContact CD2-CG 4.48Å; F263-F307 HydrophobicContact CD2-CZ 4.33Å; F263-F307 HydrophobicContact CE1-CE1 4.09Å; F263-F307 HydrophobicContact CE1-CZ 4.39Å; F263-F307 HydrophobicContact CE2-CE1 4.17Å; F263-F307 HydrophobicContact CE2-CE2 4.37Å; F263-F307 HydrophobicContact CE2-CZ 4.02Å; F263-F307 HydrophobicContact CG-CD1 4.02Å; F263-F307 HydrophobicContact CG-CE1 4Å; F263-F307 HydrophobicContact CZ-CE1 4.17Å; F263-F307 HydrophobicContact CZ-CZ 4.05Å
264C98.5Very high97.9Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-146.7150.4-172.359.40000112.7D219 T277 G278 Q308 V309D219-C264 WeakPolarHBondContact OD2-CA 3.38Å; C264-T277 VanDerWaalsContact O-CA 3.27Å; C264-T277 WeakPolarHBondContact O-CA 3.39Å; C264-G278 PolarHBondContact O-N 2.89Å; C264-G278 VanDerWaalsContact O-N 3.12Å; C264-G278 VanDerWaalsContact SG-CA 3.5Å; C264-G278 PolarHBondContact SG-N 2.81Å; C264-G278 VanDerWaalsContact SG-N 3.44Å; C264-Q308 WeakPolarHBondContact SG-CA 3.49Å; C264-V309 HydrophobicContact CB-CG1 4.35Å; C264-V309 PolarHBondContact SG-N 2.99Å
265V98.7Very high97.9Very high3 Ų338.7 Ų38.72%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-143.5134.2175.160.50000110.9D219 C221 A231 V233 L239 L275 A276 T277D219-V265 HydrophobicContact CB-CG1 4.4Å; D219-V265 PolarHBondContact OD2-N 2.99Å; C221-V265 HydrophobicContact CB-CG1 4.03Å; C221-V265 WeakPolarHBondContact CB-O 3.3Å; A231-V265 HydrophobicContact CB-CG2 4Å; V233-V265 HydrophobicContact CG1-CB 3.8Å; V233-V265 HydrophobicContact CG1-CG1 4.15Å; V233-V265 HydrophobicContact CG1-CG2 4.38Å; V233-V265 HydrophobicContact CG2-CB 4.07Å; V233-V265 HydrophobicContact CG2-CG1 3.93Å; L239-V265 HydrophobicContact CD1-CG2 4.15Å; V265-L275 HydrophobicContact CG2-CD1 3.96Å; V265-A276 WeakPolarHBondContact CA-O 3.42Å; V265-T277 HydrophobicContact CB-CG2 4.22Å; V265-T277 HydrophobicContact CG2-CG2 3.99Å
266D98.7Very high98Very high29 Ų2937.6 Ų37.616%0.15521%0.206CC..EExtended strand (participates in β ladder)trans-140.1135176-166.726.3000112.6L275 A276 V309 I310 W311D266-L275 CarbonylContact O-C 3.54Å; D266-L275 WeakPolarHBondContact O-CA 3.42Å; D266-L275 WeakPolarHBondContact O-CB 3.44Å; D266-A276 PolarHBondContact N-O 2.93Å; D266-A276 PolarHBondContact O-N 2.91Å; D266-V309 HydrophobicContact CB-CG1 4.38Å; D266-V309 WeakPolarHBondContact CB-O 3.42Å; D266-I310 WeakPolarHBondContact OD2-CA 3.25Å; D266-W311 PolarHBondContact O-NE1 3.47Å; D266-W311 VanDerWaalsContact OD2-CD1 3.31Å; D266-W311 PolarHBondContact OD2-N 2.83Å
267F98.6Very high98Very high1 Ų132.5 Ų32.50%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-84.7139.7176-83.5-79.9000109.8C221 W222 H223 N224 A231 L241 L275 I289 W311C221-F267 HydrophobicContact CB-CD2 4.26Å; C221-F267 WeakPolarHBondContact O-CE2 3.43Å; W222-F267 WeakPolarHBondContact O-CD2 3.48Å; H223-F267 HydrophobicContact CB-CE2 4.45Å; H223-F267 HydrophobicContact CB-CZ 4.48Å; H223-F267 AromaticContact CD2-CD1 3.57Å; H223-F267 AromaticContact CD2-CE1 3.56Å; N224-F267 PolarHBondContact ND2-O 2.95Å; A231-F267 HydrophobicContact CB-CE2 3.53Å; A231-F267 HydrophobicContact CB-CZ 3.72Å; L241-F267 HydrophobicContact CD1-CZ 3.97Å; F267-L275 HydrophobicContact CD1-CB 3.8Å; F267-L275 HydrophobicContact CD1-CD2 4.2Å; F267-L275 HydrophobicContact CE1-CB 4.05Å; F267-L275 HydrophobicContact CE1-CD2 3.55Å; F267-L275 HydrophobicContact CE1-CG 4.41Å; F267-L275 HydrophobicContact CG-CB 4.22Å; F267-L275 HydrophobicContact CZ-CD2 3.74Å; F267-I289 HydrophobicContact CE1-CG2 3.96Å; F267-W311 VanDerWaalsContact C-CD1 3.43Å
268S98.2Very high98.1Very high3 Ų332.4 Ų32.42%0.02117%0.174CC..  trans-67.5137.6174.2105.90000110N224 F270 N271 L274N224-S268 PolarHBondContact ND2-O 2.72Å; N224-S268 VanDerWaalsContact ND2-O 3.09Å; S268-F270 VanDerWaalsContact C-N 3.26Å; S268-F270 PolarHBondContact O-N 2.83Å; S268-N271 WeakPolarHBondContact OG-CA 3.46Å; S268-N271 WeakPolarHBondContact OG-CB 3.48Å; S268-N271 PolarHBondContact OG-N 3.32Å; S268-N271 PolarHBondContact OG-O 3.37Å; S268-L274 PolarHBondContact N-O 3.29Å
269P97.1Very high98.1Very high57 Ų5732.1 Ų32.137%0.3717%0.173SC..SBendtrans-76.3-14.8178.727.2-31.3000113N224 W311N224-P269 WeakPolarHBondContact ND2-CA 3.47Å; P269-W311 HydrophobicContact CG-CB 4.41Å
270F97.5Very high98.2Very high98 Ų9826.4 Ų26.443%0.4314%0.139SC..SBendtrans-104.8-37.9-174.8-60.5-76.4000113.6S268 S312 P313 E316S268-F270 VanDerWaalsContact C-N 3.26Å; S268-F270 PolarHBondContact O-N 2.83Å; F270-S312 WeakPolarHBondContact CE2-O 3.25Å; F270-P313 VanDerWaalsContact CZ-O 3.28Å; F270-P313 WeakPolarHBondContact CZ-O 3.35Å; F270-E316 HydrophobicContact CB-CB 3.71Å; F270-E316 VanDerWaalsContact CD2-CA 3.46Å; F270-E316 HydrophobicContact CD2-CB 3.95Å; F270-E316 HydrophobicContact CG-CB 3.84Å
271N97.2Very high98.2Very high64 Ų6427.2 Ų27.234%0.34214%0.139SC..  trans-111.2111.3178.6-171.5-28.2000110.5S268 N273 L274S268-N271 WeakPolarHBondContact OG-CA 3.46Å; S268-N271 WeakPolarHBondContact OG-CB 3.48Å; S268-N271 PolarHBondContact OG-N 3.32Å; S268-N271 PolarHBondContact OG-O 3.37Å; N271-N273 PolarHBondContact O-N 2.97Å; N271-N273 PolarHBondContact OD1-N 2.77Å; N271-L274 HydrophobicContact CB-CB 4.24Å; N271-L274 HydrophobicContact CB-CD1 3.95Å; N271-L274 HydrophobicContact CB-CG 4.04Å; N271-L274 WeakPolarHBondContact ND2-CD1 3.34Å; N271-L274 PolarHBondContact O-N 2.82Å
272E96.9Very high98.2Very high116 Ų11627.6 Ų27.654%0.54214%0.14SC..THydrogen-bonded Turntrans-61.7-13.1179.967.6177.9-166.900114.5H223 I289H223-E272 PolarHBondContact NE2-O 2.93Å; E272-I289 VanDerWaalsContact O-CD1 3.23Å; E272-I289 WeakPolarHBondContact O-CD1 3.34Å
273N97.6Very high98.1Very high24 Ų2428.3 Ų28.313%0.12814%0.144CC..THydrogen-bonded Turntrans-101.7-9.9-177.9-60.8-72000113.1N271 D288 I289 R290N271-N273 PolarHBondContact O-N 2.97Å; N271-N273 PolarHBondContact OD1-N 2.77Å; N273-D288 CarbonylContact O-C 3.48Å; N273-D288 WeakPolarHBondContact O-CA 3.13Å; N273-I289 HydrophobicContact CB-CG1 4.35Å; N273-I289 PolarHBondContact O-N 2.89Å; N273-R290 HydrophobicContact CB-CG 4.45Å; N273-R290 WeakPolarHBondContact OD1-CD 3.18Å; N273-R290 VanDerWaalsContact OD1-CG 3.29Å; N273-R290 WeakPolarHBondContact OD1-CG 3.32Å
274L98.1Very high98.1Very high20 Ų2027.2 Ų27.211%0.10514%0.139CC..EExtended strand (participates in β ladder)trans-103.4137.8-172.4-64.4-177.4000112.2S268 N271 L286 W287 L296 W311 L333S268-L274 PolarHBondContact N-O 3.29Å; N271-L274 HydrophobicContact CB-CB 4.24Å; N271-L274 HydrophobicContact CB-CD1 3.95Å; N271-L274 HydrophobicContact CB-CG 4.04Å; N271-L274 WeakPolarHBondContact ND2-CD1 3.34Å; N271-L274 PolarHBondContact O-N 2.82Å; L274-L286 HydrophobicContact CD2-CD1 4.43Å; L274-W287 WeakPolarHBondContact CA-O 2.99Å; L274-W287 WeakPolarHBondContact CD2-O 3.33Å; L274-L296 HydrophobicContact CD2-CD1 3.51Å; L274-W311 HydrophobicContact CB-CH2 4.43Å; L274-W311 HydrophobicContact CB-CZ2 4.34Å; L274-W311 HydrophobicContact CD1-CH2 4.45Å; L274-L333 HydrophobicContact CD1-CD1 4.45Å
275L98.3Very high98.1Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-140.9159.2164.866.389000109.7A231 L239 V265 D266 F267 T277 W287 I289A231-L275 HydrophobicContact CB-CD2 4.33Å; L239-L275 HydrophobicContact CD1-CD1 4.23Å; L239-L275 HydrophobicContact CD2-CD1 3.75Å; V265-L275 HydrophobicContact CG2-CD1 3.96Å; D266-L275 CarbonylContact O-C 3.54Å; D266-L275 WeakPolarHBondContact O-CA 3.42Å; D266-L275 WeakPolarHBondContact O-CB 3.44Å; F267-L275 HydrophobicContact CD1-CB 3.8Å; F267-L275 HydrophobicContact CD1-CD2 4.2Å; F267-L275 HydrophobicContact CE1-CB 4.05Å; F267-L275 HydrophobicContact CE1-CD2 3.55Å; F267-L275 HydrophobicContact CE1-CG 4.41Å; F267-L275 HydrophobicContact CG-CB 4.22Å; F267-L275 HydrophobicContact CZ-CD2 3.74Å; L275-T277 HydrophobicContact CD1-CG2 3.93Å; L275-W287 HydrophobicContact CD1-CB 3.86Å; L275-W287 HydrophobicContact CD1-CG 3.95Å; L275-W287 HydrophobicContact CG-CB 4.04Å; L275-W287 PolarHBondContact N-O 3.3Å; L275-W287 PolarHBondContact O-N 3.19Å; L275-I289 HydrophobicContact CD2-CG2 3.47Å; L275-I289 VanDerWaalsContact CD2-CG2 3.47Å; L275-I289 HydrophobicContact CG-CG2 4.29Å
276A98.7Very high98.1Very high0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-119.4150.6174.300000110.5V265 D266 A285 V309 W311 L319V265-A276 WeakPolarHBondContact CA-O 3.42Å; D266-A276 PolarHBondContact N-O 2.93Å; D266-A276 PolarHBondContact O-N 2.91Å; A276-A285 CarbonylContact C-O 3.58Å; A276-A285 VanDerWaalsContact CA-O 3.23Å; A276-A285 WeakPolarHBondContact CA-O 3.2Å; A276-V309 HydrophobicContact CB-CG1 4.24Å; A276-V309 HydrophobicContact CB-CG2 3.86Å; A276-W311 HydrophobicContact CB-CZ2 4.13Å; A276-L319 HydrophobicContact CB-CD1 4.27Å
277T98.8Very high98.1Very high0 Ų026.5 Ų26.50%014%0.135CC..EExtended strand (participates in β ladder)trans-129.4149.2173.356.80000110.7V233 L239 H258 V262 C264 V265 L275 A284 A285 W287V233-T277 HydrophobicContact CG1-CG2 3.98Å; L239-T277 HydrophobicContact CD1-CG2 4.19Å; L239-T277 HydrophobicContact CD2-CG2 4.33Å; H258-T277 PolarHBondContact NE2-OG1 3.24Å; V262-T277 HydrophobicContact CG1-CG2 4.34Å; C264-T277 VanDerWaalsContact O-CA 3.27Å; C264-T277 WeakPolarHBondContact O-CA 3.39Å; V265-T277 HydrophobicContact CB-CG2 4.22Å; V265-T277 HydrophobicContact CG2-CG2 3.99Å; L275-T277 HydrophobicContact CD1-CG2 3.93Å; T277-A284 CarbonylContact O-C 3.54Å; T277-A284 WeakPolarHBondContact O-CA 3.27Å; T277-A284 WeakPolarHBondContact O-CB 3.4Å; T277-A285 PolarHBondContact N-O 3.18Å; T277-A285 PolarHBondContact O-N 3.27Å; T277-W287 PolarHBondContact OG1-NE1 3.2Å
278G98.6Very high98.1Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans-123.3149.2173.200000111.3V262 F263 C264 V306V262-G278 WeakPolarHBondContact CG1-O 3.35Å; F263-G278 PolarHBondContact N-O 2.84Å; C264-G278 PolarHBondContact O-N 2.89Å; C264-G278 VanDerWaalsContact O-N 3.12Å; C264-G278 VanDerWaalsContact SG-CA 3.5Å; C264-G278 PolarHBondContact SG-N 2.81Å; C264-G278 VanDerWaalsContact SG-N 3.44Å; G278-V306 CarbonylContact C-O 3.5Å
279S98.7Very high98Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-149.8164.1-166.61340000114.7H258 E261 D281 K282 T283 V306H258-S279 VanDerWaalsContact CB-OG 3.3Å; H258-S279 WeakPolarHBondContact CB-OG 3.22Å; H258-S279 WeakPolarHBondContact ND1-CB 3.41Å; H258-S279 PolarHBondContact ND1-OG 2.99Å; E261-S279 CarbonylContact O-C 3.57Å; E261-S279 WeakPolarHBondContact O-CA 3.42Å; E261-S279 WeakPolarHBondContact O-CB 3.29Å; E261-S279 PolarHBondContact O-OG 3.41Å; S279-D281 WeakPolarHBondContact CB-OD1 3.49Å; S279-D281 PolarHBondContact O-N 2.99Å; S279-D281 PolarHBondContact OG-N 2.85Å; S279-D281 PolarHBondContact OG-OD1 2.96Å; S279-K282 PolarHBondContact O-N 2.84Å; S279-K282 VanDerWaalsContact O-N 3.14Å; S279-T283 PolarHBondContact N-O 3.37Å; S279-V306 PolarHBondContact N-O 2.94Å; S279-V306 PolarHBondContact O-N 2.96Å
280A98.4Very high98Very high17 Ų1733.3 Ų33.314%0.1416%0.155CC..THydrogen-bonded Turntrans-64.1-15.5171.500000113.8E261 F263 K282 D305E261-A280 HydrophobicContact CB-CB 4.13Å; E261-A280 PolarHBondContact O-N 2.95Å; E261-A280 WeakPolarHBondContact OE2-CB 3.37Å; F263-A280 HydrophobicContact CE2-CB 3.61Å; F263-A280 HydrophobicContact CZ-CB 3.89Å; A280-K282 PolarHBondContact O-N 2.84Å; A280-K282 VanDerWaalsContact O-N 3.17Å; A280-D305 WeakPolarHBondContact CA-OD1 3.23Å
281D98Very high97.9Very high35 Ų3533.4 Ų33.419%0.18716%0.157CC..THydrogen-bonded Turntrans-75.210.2169.674.52.8000114H258 T259 S279 T283H258-D281 VanDerWaalsContact CB-OD2 3.29Å; H258-D281 WeakPolarHBondContact CB-OD2 3.35Å; H258-D281 IonicContact CE1-OD1 3.43Å; H258-D281 IonicContact CG-OD1 2.84Å; H258-D281 IonicContact CG-OD2 2.73Å; H258-D281 VanDerWaalsContact ND1-CG 3.31Å; H258-D281 IonicContact ND1-OD1 3.95Å; H258-D281 PolarHBondContact ND1-OD1 2.96Å; H258-D281 IonicContact ND1-OD2 3.83Å; H258-D281 PolarHBondContact ND1-OD2 2.94Å; T259-D281 PolarHBondContact N-OD2 3.24Å; T259-D281 VanDerWaalsContact N-OD2 3.09Å; T259-D281 VanDerWaalsContact OG1-CB 3.27Å; T259-D281 WeakPolarHBondContact OG1-CB 3.39Å; T259-D281 PolarHBondContact OG1-OD2 3.14Å; S279-D281 WeakPolarHBondContact CB-OD1 3.49Å; S279-D281 PolarHBondContact O-N 2.99Å; S279-D281 PolarHBondContact OG-N 2.85Å; S279-D281 PolarHBondContact OG-OD1 2.96Å; D281-T283 PolarHBondContact O-N 2.99Å; D281-T283 PolarHBondContact OD1-N 3.29Å; D281-T283 PolarHBondContact OD1-OG1 2.79Å
282K97.9Very high97.8Very high90 Ų9030.3 Ų30.339%0.39114%0.14SC..SBendtrans68.512.5174.4-44177.6176.1-157.90114.4S279 A280 H302 T303S279-K282 PolarHBondContact O-N 2.84Å; S279-K282 VanDerWaalsContact O-N 3.14Å; A280-K282 PolarHBondContact O-N 2.84Å; A280-K282 VanDerWaalsContact O-N 3.17Å; K282-H302 WeakPolarHBondContact O-CB 3.43Å; K282-T303 WeakPolarHBondContact CD-O 3.46Å; K282-T303 WeakPolarHBondContact CE-O 3.47Å; K282-T303 PolarHBondContact NZ-O 3.34Å
283T98Very high97.5Very high15 Ų1535 Ų359%0.09215%0.153CC..EExtended strand (participates in β ladder)trans-116.7150.4179.969.20000111H258 S279 D281 V298 F299H258-T283 PolarHBondContact CE1-OG1 2.99Å; H258-T283 PolarHBondContact ND1-OG1 2.99Å; S279-T283 PolarHBondContact N-O 3.37Å; D281-T283 PolarHBondContact O-N 2.99Å; D281-T283 PolarHBondContact OD1-N 3.29Å; D281-T283 PolarHBondContact OD1-OG1 2.79Å; T283-V298 HydrophobicContact CG2-CG1 3.78Å; T283-F299 WeakPolarHBondContact CA-O 3.19Å
284A98.3Very high97.4Very high0 Ų037.6 Ų37.60%017%0.17CC..EExtended strand (participates in β ladder)trans-98150.2155.800000109.3T277 F299T277-A284 CarbonylContact O-C 3.54Å; T277-A284 WeakPolarHBondContact O-CA 3.27Å; T277-A284 WeakPolarHBondContact O-CB 3.4Å; A284-F299 HydrophobicContact CB-CB 4.14Å; A284-F299 HydrophobicContact CB-CD2 3.85Å; A284-F299 HydrophobicContact CB-CG 4.45Å; A284-F299 PolarHBondContact N-O 2.85Å; A284-F299 PolarHBondContact O-N 3.39Å
285A98.5Very high97.4Very high0 Ų039.9 Ų39.90%018%0.179CC..EExtended strand (participates in β ladder)trans-128.5142.5178.900000111.3H258 A276 T277 W287 K295H258-A285 WeakPolarHBondContact NE2-CB 3.47Å; A276-A285 CarbonylContact C-O 3.58Å; A276-A285 VanDerWaalsContact CA-O 3.23Å; A276-A285 WeakPolarHBondContact CA-O 3.2Å; T277-A285 PolarHBondContact N-O 3.18Å; T277-A285 PolarHBondContact O-N 3.27Å; A285-W287 HydrophobicContact CB-CZ2 4.01Å; A285-K295 HydrophobicContact CB-CD 3.85Å; A285-K295 HydrophobicContact CB-CG 4.28Å
286L98.6Very high97.4Very high11 Ų1144.2 Ų44.26%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-100.3138174.9-175.168.7000110.4L274 L296 H297 F299 W311 L333L274-L286 HydrophobicContact CD2-CD1 4.43Å; L286-L296 HydrophobicContact CB-CB 4.31Å; L286-L296 HydrophobicContact CD2-CB 4.14Å; L286-L296 HydrophobicContact CD2-CD1 4.12Å; L286-L296 HydrophobicContact CG-CB 4.15Å; L286-L296 HydrophobicContact CG-CD1 4.1Å; L286-L296 WeakPolarHBondContact O-CB 3.33Å; L286-L296 PolarHBondContact O-N 2.98Å; L286-H297 HydrophobicContact CB-CB 4.1Å; L286-H297 HydrophobicContact CD2-CB 4.43Å; L286-H297 PolarHBondContact N-O 3.4Å; L286-F299 HydrophobicContact CB-CE2 3.98Å; L286-F299 HydrophobicContact CB-CZ 4.28Å; L286-W311 HydrophobicContact CD1-CH2 3.62Å; L286-W311 HydrophobicContact CD1-CZ2 3.64Å; L286-L333 HydrophobicContact CD2-CD1 4.32Å; L286-L333 HydrophobicContact CD2-CD2 3.9Å
287W98.5Very high97.3Very high5 Ų546.4 Ų46.42%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-131.9146.2-174.8-56.591.3000112.5L239 V255 A257 L274 L275 T277 A285 L292 K295L239-W287 HydrophobicContact CD2-CD2 4.1Å; L239-W287 HydrophobicContact CD2-CG 4.04Å; V255-W287 HydrophobicContact CG2-CZ3 4.46Å; A257-W287 HydrophobicContact CB-CH2 4.06Å; A257-W287 HydrophobicContact CB-CZ2 3.61Å; A257-W287 WeakPolarHBondContact O-CZ2 3.44Å; L274-W287 WeakPolarHBondContact CA-O 2.99Å; L274-W287 WeakPolarHBondContact CD2-O 3.33Å; L275-W287 HydrophobicContact CD1-CB 3.86Å; L275-W287 HydrophobicContact CD1-CG 3.95Å; L275-W287 HydrophobicContact CG-CB 4.04Å; L275-W287 PolarHBondContact N-O 3.3Å; L275-W287 PolarHBondContact O-N 3.19Å; T277-W287 PolarHBondContact OG1-NE1 3.2Å; A285-W287 HydrophobicContact CB-CZ2 4.01Å; W287-L292 HydrophobicContact CB-CD2 3.9Å; W287-L292 HydrophobicContact CE3-CD2 4.44Å; W287-L292 WeakPolarHBondContact CZ3-O 3.46Å; W287-K295 HydrophobicContact CD2-CG 4.47Å; W287-K295 HydrophobicContact CE3-CG 4.19Å; W287-K295 HydrophobicContact CH2-CB 4.44Å; W287-K295 HydrophobicContact CH2-CD 4.09Å; W287-K295 HydrophobicContact CH2-CG 3.25Å; W287-K295 HydrophobicContact CZ2-CD 4.12Å; W287-K295 HydrophobicContact CZ2-CG 3.57Å; W287-K295 HydrophobicContact CZ3-CB 4.38Å; W287-K295 HydrophobicContact CZ3-CG 3.6Å
288D98.1Very high97.3Very high21 Ų2149 Ų4911%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-103.8117.7165.6-167.3-42.3000109.2N273 R290 H291 L292 L296N273-D288 CarbonylContact O-C 3.48Å; N273-D288 WeakPolarHBondContact O-CA 3.13Å; D288-R290 PolarHBondContact O-N 2.88Å; D288-R290 VanDerWaalsContact O-N 3.14Å; D288-R290 WeakPolarHBondContact OD1-CB 3.48Å; D288-R290 VanDerWaalsContact OD1-CG 3.31Å; D288-R290 WeakPolarHBondContact OD1-CG 3.37Å; D288-R290 IonicContact OD1-CZ 2.74Å; D288-R290 PolarHBondContact OD1-N 3.33Å; D288-R290 IonicContact OD1-NE 3.86Å; D288-R290 PolarHBondContact OD1-NE 2.87Å; D288-R290 IonicContact OD1-NH2 3.51Å; D288-R290 IonicContact OD2-CZ 2.87Å; D288-R290 IonicContact OD2-NE 3.2Å; D288-R290 PolarHBondContact OD2-NE 3.49Å; D288-R290 IonicContact OD2-NH2 3.95Å; D288-R290 PolarHBondContact OD2-NH2 2.89Å; D288-H291 CarbonylContact O-C 3.48Å; D288-H291 PolarHBondContact O-N 3.14Å; D288-L292 PolarHBondContact O-N 3.45Å; D288-L296 HydrophobicContact CB-CD1 3.84Å; D288-L296 HydrophobicContact CB-CD2 4.1Å; D288-L296 HydrophobicContact CB-CG 4.03Å
289I97.4Very high97.2Very high16 Ų1649 Ų498%0.08223%0.228CC..G310 helixtrans-64.5-19.5-178.667.4-179.2000113.7L229 L241 Q253 F267 E272 N273 L275 H291 L292L229-I289 HydrophobicContact CD2-CD1 3.92Å; L241-I289 HydrophobicContact CD1-CG2 4.42Å; L241-I289 HydrophobicContact CD2-CB 4.24Å; Q253-I289 PolarHBondContact NE2-O 2.92Å; F267-I289 HydrophobicContact CE1-CG2 3.96Å; E272-I289 VanDerWaalsContact O-CD1 3.23Å; E272-I289 WeakPolarHBondContact O-CD1 3.34Å; N273-I289 HydrophobicContact CB-CG1 4.35Å; N273-I289 PolarHBondContact O-N 2.89Å; L275-I289 HydrophobicContact CD2-CG2 3.47Å; L275-I289 VanDerWaalsContact CD2-CG2 3.47Å; L275-I289 HydrophobicContact CG-CG2 4.29Å; I289-H291 PolarHBondContact O-N 2.94Å; I289-L292 HydrophobicContact CG2-CD2 4.39Å
290R96.6Very high97Very high167 Ų16754.2 Ų54.263%0.6326%0.255SS*.G310 helixtrans-73.8-20.6174.5-54.5170.6-68.4-170.52.4111.4N273 D288N273-R290 HydrophobicContact CB-CG 4.45Å; N273-R290 WeakPolarHBondContact OD1-CD 3.18Å; N273-R290 VanDerWaalsContact OD1-CG 3.29Å; N273-R290 WeakPolarHBondContact OD1-CG 3.32Å; D288-R290 PolarHBondContact O-N 2.88Å; D288-R290 VanDerWaalsContact O-N 3.14Å; D288-R290 WeakPolarHBondContact OD1-CB 3.48Å; D288-R290 VanDerWaalsContact OD1-CG 3.31Å; D288-R290 WeakPolarHBondContact OD1-CG 3.37Å; D288-R290 IonicContact OD1-CZ 2.74Å; D288-R290 PolarHBondContact OD1-N 3.33Å; D288-R290 IonicContact OD1-NE 3.86Å; D288-R290 PolarHBondContact OD1-NE 2.87Å; D288-R290 IonicContact OD1-NH2 3.51Å; D288-R290 IonicContact OD2-CZ 2.87Å; D288-R290 IonicContact OD2-NE 3.2Å; D288-R290 PolarHBondContact OD2-NE 3.49Å; D288-R290 IonicContact OD2-NH2 3.95Å; D288-R290 PolarHBondContact OD2-NH2 2.89Å
291H94.4Very high96.8Very high100 Ų10054.8 Ų54.846%0.46326%0.259SS..G310 helixtrans-147.464.8179.8-163.472000112.8D288 I289 R293 T294D288-H291 CarbonylContact O-C 3.48Å; D288-H291 PolarHBondContact O-N 3.14Å; I289-H291 PolarHBondContact O-N 2.94Å; H291-R293 PolarHBondContact O-N 3.34Å; H291-T294 PolarHBondContact CD2-OG1 3.41Å
292L94.7Very high96.6Very high0 Ų053.5 Ų53.50%025%0.251CS..THydrogen-bonded Turntrans-65.4-6.1-177.8-71178.8000115.4L239 L241 Q253 V255 W287 D288 I289 T294L239-L292 HydrophobicContact CD2-CD2 3.97Å; L241-L292 HydrophobicContact CB-CD1 3.99Å; L241-L292 HydrophobicContact CD2-CD1 4.19Å; Q253-L292 HydrophobicContact CB-CD1 3.89Å; Q253-L292 HydrophobicContact CG-CD1 4.48Å; V255-L292 HydrophobicContact CG1-CB 3.92Å; V255-L292 WeakPolarHBondContact CG1-O 3.23Å; V255-L292 HydrophobicContact CG2-CB 4.28Å; W287-L292 HydrophobicContact CB-CD2 3.9Å; W287-L292 HydrophobicContact CE3-CD2 4.44Å; W287-L292 WeakPolarHBondContact CZ3-O 3.46Å; D288-L292 PolarHBondContact O-N 3.45Å; I289-L292 HydrophobicContact CG2-CD2 4.39Å; L292-T294 PolarHBondContact O-N 3.12Å
293R92.1Very high96.5Very high214 Ų21453.9 Ų53.981%0.80826%0.261SS*.THydrogen-bonded Turntrans-67-22.2-175.7-67.4-174.7178.5-178.3-0.1113.6H291H291-R293 PolarHBondContact O-N 3.34Å
294T95.2Very high96.4Very high79 Ų7956 Ų5649%0.48527%0.272SS..SBendtrans-135.6138.3-179.7560000109.5H291 L292H291-T294 PolarHBondContact CD2-OG1 3.41Å; L292-T294 PolarHBondContact O-N 3.12Å
295K97.5Very high96.4Very high68 Ų6858 Ų5830%0.29628%0.283SS..  trans-58.2139167.5-64.7-178.5-177.8-174.80109.3A257 A285 W287 V298A257-K295 WeakPolarHBondContact O-CE 3.34Å; A257-K295 PolarHBondContact O-NZ 2.97Å; A285-K295 HydrophobicContact CB-CD 3.85Å; A285-K295 HydrophobicContact CB-CG 4.28Å; W287-K295 HydrophobicContact CD2-CG 4.47Å; W287-K295 HydrophobicContact CE3-CG 4.19Å; W287-K295 HydrophobicContact CH2-CB 4.44Å; W287-K295 HydrophobicContact CH2-CD 4.09Å; W287-K295 HydrophobicContact CH2-CG 3.25Å; W287-K295 HydrophobicContact CZ2-CD 4.12Å; W287-K295 HydrophobicContact CZ2-CG 3.57Å; W287-K295 HydrophobicContact CZ3-CB 4.38Å; W287-K295 HydrophobicContact CZ3-CG 3.6Å; K295-V298 HydrophobicContact CD-CG2 3.58Å
296L97.7Very high96.4Very high90 Ų9058 Ų5847%0.47128%0.283SS..SBendtrans-72.5-43.4167.2-72.1-178.7000110.4L274 L286 D288L274-L296 HydrophobicContact CD2-CD1 3.51Å; L286-L296 HydrophobicContact CB-CB 4.31Å; L286-L296 HydrophobicContact CD2-CB 4.14Å; L286-L296 HydrophobicContact CD2-CD1 4.12Å; L286-L296 HydrophobicContact CG-CB 4.15Å; L286-L296 HydrophobicContact CG-CD1 4.1Å; L286-L296 WeakPolarHBondContact O-CB 3.33Å; L286-L296 PolarHBondContact O-N 2.98Å; D288-L296 HydrophobicContact CB-CD1 3.84Å; D288-L296 HydrophobicContact CB-CD2 4.1Å; D288-L296 HydrophobicContact CB-CG 4.03Å
297H97.9Very high96.2Very high46 Ų4659.9 Ų59.921%0.21329%0.291CS..EExtended strand (participates in β ladder)trans-155.2162-177.5-165.456.3000111.3L286 F299 I336 E351L286-H297 HydrophobicContact CB-CB 4.1Å; L286-H297 HydrophobicContact CD2-CB 4.43Å; L286-H297 PolarHBondContact N-O 3.4Å; H297-F299 AromaticContact CD2-CD1 3.81Å; H297-F299 AromaticContact CD2-CE1 3.62Å; H297-I336 HydrophobicContact CB-CD1 4.27Å; H297-E351 IonicContact CD2-OE1 2.92Å; H297-E351 IonicContact CE1-OE1 3.03Å; H297-E351 IonicContact NE2-OE1 2.77Å; H297-E351 PolarHBondContact NE2-OE1 3.1Å
298V97.8Very high96.2Very high55 Ų5560.1 Ų60.133%0.33329%0.292SS..EExtended strand (participates in β ladder)trans-128.3124.7173.8178.90000108.2T283 K295T283-V298 HydrophobicContact CG2-CG1 3.78Å; K295-V298 HydrophobicContact CD-CG2 3.58Å
299F97.3Very high96.2Very high1 Ų159.1 Ų59.10%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-91111.9173.2-53.6-77.3000108.8T283 A284 L286 H297 L319 W331 L333 I336 E351T283-F299 WeakPolarHBondContact CA-O 3.19Å; A284-F299 HydrophobicContact CB-CB 4.14Å; A284-F299 HydrophobicContact CB-CD2 3.85Å; A284-F299 HydrophobicContact CB-CG 4.45Å; A284-F299 PolarHBondContact N-O 2.85Å; A284-F299 PolarHBondContact O-N 3.39Å; L286-F299 HydrophobicContact CB-CE2 3.98Å; L286-F299 HydrophobicContact CB-CZ 4.28Å; H297-F299 AromaticContact CD2-CD1 3.81Å; H297-F299 AromaticContact CD2-CE1 3.62Å; F299-L319 HydrophobicContact CE2-CD1 4.25Å; F299-L319 HydrophobicContact CE2-CD2 4.27Å; F299-L319 HydrophobicContact CZ-CD2 3.95Å; F299-W331 HydrophobicContact CB-CD2 3.9Å; F299-W331 HydrophobicContact CB-CE3 3.91Å; F299-W331 HydrophobicContact CB-CH2 3.73Å; F299-W331 HydrophobicContact CB-CZ2 3.8Å; F299-W331 HydrophobicContact CB-CZ3 3.82Å; F299-W331 HydrophobicContact CD1-CB 3.98Å; F299-W331 AromaticContact CD1-CD2 3.73Å; F299-W331 HydrophobicContact CD1-CD2 3.73Å; F299-W331 AromaticContact CD1-CE3 3.64Å; F299-W331 HydrophobicContact CD1-CE3 3.64Å; F299-W331 AromaticContact CD1-CG 3.91Å; F299-W331 HydrophobicContact CD1-CG 3.91Å; F299-W331 HydrophobicContact CD1-CZ3 4.28Å; F299-W331 HydrophobicContact CE1-CB 3.93Å; F299-W331 HydrophobicContact CE1-CG 4.32Å; F299-W331 AromaticContact CG-CD2 3.97Å; F299-W331 HydrophobicContact CG-CD2 3.97Å; F299-W331 HydrophobicContact CG-CE3 4.13Å; F299-W331 HydrophobicContact CG-CG 4.24Å; F299-L333 HydrophobicContact CE1-CD2 3.94Å; F299-L333 HydrophobicContact CZ-CD2 3.46Å; F299-L333 VanDerWaalsContact CZ-CD2 3.46Å; F299-I336 HydrophobicContact CE1-CD1 4.26Å; F299-E351 HydrophobicContact CD1-CG 3.85Å; F299-E351 HydrophobicContact CE1-CG 4.07Å
300D94.6Very high96.2Very high108 Ų10859.5 Ų59.558%0.57829%0.289SS*.EExtended strand (participates in β ladder)trans-121.8102-173.3-170.77.9000110
301S93.5Very high96.3Very high30 Ų3051.9 Ų51.921%0.2126%0.26CS..  trans-161.4-31.2177.4-1740000112H329 W331S301-H329 PolarHBondContact OG-CD2 3Å; S301-H329 VanDerWaalsContact OG-CD2 3.28Å; S301-H329 PolarHBondContact OG-NE2 2.76Å; S301-W331 VanDerWaalsContact CB-CH2 3.47Å
302H94.8Very high96.4Very high7 Ų747.1 Ų47.13%0.03224%0.238CC..  trans-58.5142.4174.9-84.7-75.1000111.5K282 V306 S321 G323 D325 R327 H329K282-H302 WeakPolarHBondContact O-CB 3.43Å; H302-V306 HydrophobicContact CB-CG2 3.8Å; H302-S321 PolarHBondContact CD2-OG 2.92Å; H302-S321 PolarHBondContact NE2-O 2.61Å; H302-S321 PolarHBondContact NE2-OG 3.02Å; H302-G323 PolarHBondContact CE1-N 3.02Å; H302-D325 WeakPolarHBondContact CA-OD2 3.46Å; H302-D325 IonicContact CE1-OD1 3.38Å; H302-D325 IonicContact CE1-OD2 3.64Å; H302-D325 IonicContact CG-OD2 3.15Å; H302-D325 IonicContact ND1-OD1 3.71Å; H302-D325 PolarHBondContact ND1-OD1 3.46Å; H302-D325 IonicContact ND1-OD2 2.61Å; H302-D325 PolarHBondContact ND1-OD2 2.95Å; H302-R327 PolarHBondContact CE1-O 2.68Å; H302-H329 AromaticContact CD2-ND1 3.86Å; H302-H329 AromaticContact CE1-CE1 3.79Å; H302-H329 AromaticContact CE1-CG 3.97Å; H302-H329 AromaticContact CE1-ND1 3.14Å; H302-H329 PolarHBondContact CE1-ND1 3.1Å; H302-H329 AromaticContact CG-CE1 3.94Å; H302-H329 AromaticContact CG-ND1 3.86Å; H302-H329 AromaticContact ND1-CE1 3.58Å; H302-H329 AromaticContact ND1-ND1 3.41Å; H302-H329 PolarHBondContact ND1-ND1 2.92Å; H302-H329 AromaticContact NE2-CG 3.79Å; H302-H329 AromaticContact NE2-ND1 3.41Å; H302-H329 PolarHBondContact NE2-ND1 3.1Å
303T94.8Very high96.5Very high98 Ų9849.7 Ų49.760%0.60126%0.255SS*.SBendtrans-101.8-5.3-17659.20000113.5K282 D325K282-T303 WeakPolarHBondContact CD-O 3.46Å; K282-T303 WeakPolarHBondContact CE-O 3.47Å; K282-T303 PolarHBondContact NZ-O 3.34Å; T303-D325 PolarHBondContact N-OD2 3.21Å; T303-D325 WeakPolarHBondContact OG1-CB 3.24Å
304D96.4Very high96.7Very high60 Ų6042.3 Ų42.332%0.32123%0.229SC..SBendtrans-148.5-179.8180-142.2-27.4000109.6V306 D325D304-V306 PolarHBondContact O-N 3.17Å; D304-D325 HydrophobicContact CB-CB 3.84Å
305D97.7Very high96.7Very high43 Ų4340 Ų4023%0.2321%0.214CC..  trans-50.5133.5-176.5-61.9-9.6000113.5F263 A280 F307 G323 T324F263-D305 HydrophobicContact CE2-CB 3.92Å; A280-D305 WeakPolarHBondContact CA-OD1 3.23Å; D305-F307 HydrophobicContact CB-CD2 4.01Å; D305-F307 HydrophobicContact CB-CE2 3.61Å; D305-F307 HydrophobicContact CB-CZ 4.43Å; D305-G323 CarbonylContact O-C 3.44Å; D305-G323 WeakPolarHBondContact O-CA 3.21Å; D305-T324 PolarHBondContact O-N 2.87Å
306V97.9Very high96.6Very high0 Ų043.1 Ų43.10%023%0.23CC..EExtended strand (participates in β ladder)trans-91.9107.3175.6-176.80000109.5F263 G278 S279 H302 D304F263-V306 WeakPolarHBondContact CD2-O 3.28Å; G278-V306 CarbonylContact C-O 3.5Å; S279-V306 PolarHBondContact N-O 2.94Å; S279-V306 PolarHBondContact O-N 2.96Å; H302-V306 HydrophobicContact CB-CG2 3.8Å; D304-V306 PolarHBondContact O-N 3.17Å
307F96Very high96.5Very high49 Ų4940.7 Ų40.722%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-92.2-22.7-172-91.8-77.8000114.6F263 D305 S322 T324 K378F263-F307 HydrophobicContact CB-CD1 4.26Å; F263-F307 HydrophobicContact CD1-CD1 4.39Å; F263-F307 AromaticContact CD1-CE1 3.98Å; F263-F307 HydrophobicContact CD1-CE1 3.98Å; F263-F307 HydrophobicContact CD2-CD1 4.17Å; F263-F307 HydrophobicContact CD2-CE1 4.1Å; F263-F307 HydrophobicContact CD2-CG 4.48Å; F263-F307 HydrophobicContact CD2-CZ 4.33Å; F263-F307 HydrophobicContact CE1-CE1 4.09Å; F263-F307 HydrophobicContact CE1-CZ 4.39Å; F263-F307 HydrophobicContact CE2-CE1 4.17Å; F263-F307 HydrophobicContact CE2-CE2 4.37Å; F263-F307 HydrophobicContact CE2-CZ 4.02Å; F263-F307 HydrophobicContact CG-CD1 4.02Å; F263-F307 HydrophobicContact CG-CE1 4Å; F263-F307 HydrophobicContact CZ-CE1 4.17Å; F263-F307 HydrophobicContact CZ-CZ 4.05Å; D305-F307 HydrophobicContact CB-CD2 4.01Å; D305-F307 HydrophobicContact CB-CE2 3.61Å; D305-F307 HydrophobicContact CB-CZ 4.43Å; F307-S322 PolarHBondContact N-O 2.82Å; F307-T324 WeakPolarHBondContact CD2-OG1 3.39Å; F307-T324 WeakPolarHBondContact CE2-OG1 3.35Å; F307-K378 HydrophobicContact CE2-CD 4.47Å; F307-K378 VanDerWaalsContact CE2-NZ 3.29Å
308Q97.4Very high96.4Very high11 Ų1138.5 Ų38.55%0.05121%0.208CC..EExtended strand (participates in β ladder)trans-146.4142.8-179.2-175.663.4-73.400110.6C264 I310 S321 S322 D381 F382C264-Q308 WeakPolarHBondContact SG-CA 3.49Å; Q308-I310 HydrophobicContact CG-CD1 3.82Å; Q308-I310 HydrophobicContact CG-CG1 3.77Å; Q308-S321 CarbonylContact O-C 3.56Å; Q308-S321 WeakPolarHBondContact O-CA 3.48Å; Q308-S322 WeakPolarHBondContact CB-OG 3.3Å; Q308-S322 PolarHBondContact N-O 3.42Å; Q308-S322 PolarHBondContact O-N 2.91Å; Q308-D381 PolarHBondContact NE2-OD1 3.41Å; Q308-F382 HydrophobicContact CB-CD1 4.11Å; Q308-F382 HydrophobicContact CB-CE1 3.74Å; Q308-F382 HydrophobicContact CG-CD1 3.79Å; Q308-F382 HydrophobicContact CG-CE1 3.43Å; Q308-F382 VanDerWaalsContact CG-CE1 3.43Å; Q308-F382 HydrophobicContact CG-CZ 4.2Å
309V98.2Very high96.3Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-137.8127.8173.170.50000108.4C264 D266 A276 L319 A320C264-V309 HydrophobicContact CB-CG1 4.35Å; C264-V309 PolarHBondContact SG-N 2.99Å; D266-V309 HydrophobicContact CB-CG1 4.38Å; D266-V309 WeakPolarHBondContact CB-O 3.42Å; A276-V309 HydrophobicContact CB-CG1 4.24Å; A276-V309 HydrophobicContact CB-CG2 3.86Å; V309-L319 HydrophobicContact CG2-CD1 3.54Å; V309-A320 CarbonylContact C-O 3.58Å; V309-A320 WeakPolarHBondContact CA-O 3.32Å
310I98.3Very high96.3Very high24 Ų2435.9 Ų35.912%0.12319%0.192CC..EExtended strand (participates in β ladder)trans-140.3127.7-177.7-48.5178.9000109.7D266 Q308 A320 F382 W384D266-I310 WeakPolarHBondContact OD2-CA 3.25Å; Q308-I310 HydrophobicContact CG-CD1 3.82Å; Q308-I310 HydrophobicContact CG-CG1 3.77Å; I310-A320 PolarHBondContact N-O 2.82Å; I310-A320 PolarHBondContact O-N 2.83Å; I310-F382 HydrophobicContact CB-CE2 3.89Å; I310-F382 HydrophobicContact CB-CZ 3.9Å; I310-F382 HydrophobicContact CD1-CD1 4.49Å; I310-F382 HydrophobicContact CD1-CD2 4.11Å; I310-F382 HydrophobicContact CD1-CE1 4.28Å; I310-F382 HydrophobicContact CD1-CE2 3.84Å; I310-F382 HydrophobicContact CD1-CG 4.43Å; I310-F382 HydrophobicContact CD1-CZ 3.93Å; I310-F382 WeakPolarHBondContact CD1-O 2.85Å; I310-F382 HydrophobicContact CG1-CE1 4.27Å; I310-F382 HydrophobicContact CG1-CE2 3.95Å; I310-F382 HydrophobicContact CG1-CZ 3.71Å; I310-W384 PolarHBondContact O-NE1 2.89Å
311W98.1Very high96.4Very high6 Ų630.7 Ų30.72%0.02317%0.165CC..EExtended strand (participates in β ladder)trans-67.9145.8173.9-70.892.2000111.8D266 F267 P269 L274 A276 L286 L319 L333 W384D266-W311 PolarHBondContact O-NE1 3.47Å; D266-W311 VanDerWaalsContact OD2-CD1 3.31Å; D266-W311 PolarHBondContact OD2-N 2.83Å; F267-W311 VanDerWaalsContact C-CD1 3.43Å; P269-W311 HydrophobicContact CG-CB 4.41Å; L274-W311 HydrophobicContact CB-CH2 4.43Å; L274-W311 HydrophobicContact CB-CZ2 4.34Å; L274-W311 HydrophobicContact CD1-CH2 4.45Å; A276-W311 HydrophobicContact CB-CZ2 4.13Å; L286-W311 HydrophobicContact CD1-CH2 3.62Å; L286-W311 HydrophobicContact CD1-CZ2 3.64Å; W311-L319 HydrophobicContact CD2-CB 4.11Å; W311-L319 HydrophobicContact CE3-CB 4.02Å; W311-L319 HydrophobicContact CE3-CD2 4.3Å; W311-L319 HydrophobicContact CG-CB 4.48Å; W311-L319 HydrophobicContact CH2-CD2 4.1Å; W311-L319 HydrophobicContact CZ3-CD2 3.96Å; W311-L333 HydrophobicContact CH2-CD1 3.72Å; W311-L333 HydrophobicContact CZ3-CD1 3.74Å; W311-L333 HydrophobicContact CZ3-CG 4.41Å; W311-W384 VanDerWaalsContact O-CD1 3.27Å; W311-W384 PolarHBondContact O-NE1 3.24Å
312S97.1Very high96.6Very high0 Ų029.3 Ų29.30%016%0.155CC..  trans-61.5134.3169.41760000109.2F270 H314 D315 V318F270-S312 WeakPolarHBondContact CE2-O 3.25Å; S312-H314 PolarHBondContact O-N 2.95Å; S312-H314 PolarHBondContact OG-N 3.14Å; S312-H314 VanDerWaalsContact OG-N 3.1Å; S312-D315 PolarHBondContact OG-N 3.48Å; S312-D315 VanDerWaalsContact OG-N 3.13Å; S312-D315 PolarHBondContact OG-OD2 2.82Å; S312-V318 WeakPolarHBondContact CB-O 3.29Å; S312-V318 PolarHBondContact N-O 3.21Å
313P96.5Very high96.4Very high55 Ų5529 Ų2936%0.35715%0.153SC..SBendtrans-78.8-2.3170.931.7-33.5000112.6F270 W384F270-P313 VanDerWaalsContact CZ-O 3.28Å; F270-P313 WeakPolarHBondContact CZ-O 3.35Å; P313-W384 VanDerWaalsContact CD-CB 3.42Å; P313-W384 HydrophobicContact CG-CB 3.82Å
314H95.8Very high96.4Very high59 Ų5926 Ų2627%0.27314%0.135SC..SBendtrans-114.1-30.9-175-58.7-70.6000113.9S312 H385 P386 R387 R389S312-H314 PolarHBondContact O-N 2.95Å; S312-H314 PolarHBondContact OG-N 3.14Å; S312-H314 VanDerWaalsContact OG-N 3.1Å; H314-H385 PolarHBondContact NE2-O 2.7Å; H314-P386 PolarHBondContact CE1-O 2.83Å; H314-P386 VanDerWaalsContact CE1-O 3.24Å; H314-R387 PolarHBondContact CE1-O 2.93Å; H314-R389 HydrophobicContact CB-CG 4.13Å
315D94.9Very high96.3Very high29 Ų2923.5 Ų23.516%0.15512%0.122CC..  trans-127.4122.9-170.1-58-87.8000110.7S312 T317 V318 R389S312-D315 PolarHBondContact OG-N 3.48Å; S312-D315 VanDerWaalsContact OG-N 3.13Å; S312-D315 PolarHBondContact OG-OD2 2.82Å; D315-T317 PolarHBondContact O-N 2.61Å; D315-V318 HydrophobicContact CB-CB 3.88Å; D315-V318 HydrophobicContact CB-CG2 3.64Å; D315-V318 PolarHBondContact O-N 3.15Å; D315-R389 IonicContact OD1-CZ 2.59Å; D315-R389 VanDerWaalsContact OD1-CZ 3.28Å; D315-R389 IonicContact OD1-NE 3.73Å; D315-R389 PolarHBondContact OD1-NE 3.39Å; D315-R389 IonicContact OD1-NH2 3.27Å; D315-R389 PolarHBondContact OD1-NH2 2.78Å; D315-R389 IonicContact OD2-CZ 3.38Å; D315-R389 IonicContact OD2-NE 3.87Å; D315-R389 PolarHBondContact OD2-NE 3.16Å; D315-R389 IonicContact OD2-NH2 2.71Å
316E95.8Very high96.1Very high135 Ų13523.8 Ų23.863%0.63112%0.12SC*.THydrogen-bonded Turntrans-66-21.6-173.962.7173.5-169.900115.1F270F270-E316 HydrophobicContact CB-CB 3.71Å; F270-E316 VanDerWaalsContact CD2-CA 3.46Å; F270-E316 HydrophobicContact CD2-CB 3.95Å; F270-E316 HydrophobicContact CG-CB 3.84Å
317T95.5Very high96Very high38 Ų3825.8 Ų25.823%0.23313%0.127CC..THydrogen-bonded Turntrans-103.5-2.5-178.763.50000113.1D315 D332 L333 A334D315-T317 PolarHBondContact O-N 2.61Å; T317-D332 WeakPolarHBondContact CB-OD1 3.11Å; T317-D332 WeakPolarHBondContact O-CA 3.45Å; T317-D332 PolarHBondContact OG1-OD1 3.48Å; T317-L333 HydrophobicContact CG2-CB 4.4Å; T317-L333 VanDerWaalsContact O-CG 3.29Å; T317-L333 WeakPolarHBondContact O-CG 3.33Å; T317-L333 PolarHBondContact O-N 3.4Å; T317-A334 HydrophobicContact CG2-CB 4.08Å
318V95.7Very high95.9Very high1 Ų123.4 Ų23.41%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-104.2132.9-173.4-177.90000111.2S312 D315 W331 L353 W384 F390S312-V318 WeakPolarHBondContact CB-O 3.29Å; S312-V318 PolarHBondContact N-O 3.21Å; D315-V318 HydrophobicContact CB-CB 3.88Å; D315-V318 HydrophobicContact CB-CG2 3.64Å; D315-V318 PolarHBondContact O-N 3.15Å; V318-W331 VanDerWaalsContact CA-O 3.27Å; V318-W331 WeakPolarHBondContact CA-O 3.22Å; V318-L353 HydrophobicContact CG1-CD1 4.44Å; V318-L353 HydrophobicContact CG2-CD1 4.49Å; V318-W384 HydrophobicContact CG1-CH2 4.02Å; V318-W384 HydrophobicContact CG1-CZ2 4.22Å; V318-F390 HydrophobicContact CG1-CE1 4.35Å; V318-F390 HydrophobicContact CG2-CE1 4.49Å
319L96.1Very high95.8Very high0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-134.2161.3164.664.6132.7000110.3A276 F299 V309 W311 W331 L333A276-L319 HydrophobicContact CB-CD1 4.27Å; F299-L319 HydrophobicContact CE2-CD1 4.25Å; F299-L319 HydrophobicContact CE2-CD2 4.27Å; F299-L319 HydrophobicContact CZ-CD2 3.95Å; V309-L319 HydrophobicContact CG2-CD1 3.54Å; W311-L319 HydrophobicContact CD2-CB 4.11Å; W311-L319 HydrophobicContact CE3-CB 4.02Å; W311-L319 HydrophobicContact CE3-CD2 4.3Å; W311-L319 HydrophobicContact CG-CB 4.48Å; W311-L319 HydrophobicContact CH2-CD2 4.1Å; W311-L319 HydrophobicContact CZ3-CD2 3.96Å; L319-W331 HydrophobicContact CD1-CG 4.37Å; L319-W331 HydrophobicContact CD2-CB 4.12Å; L319-W331 HydrophobicContact CG-CB 3.96Å; L319-W331 HydrophobicContact CG-CG 4.27Å; L319-W331 PolarHBondContact N-O 3.02Å; L319-W331 VanDerWaalsContact N-O 3.07Å; L319-W331 PolarHBondContact O-N 2.9Å; L319-L333 HydrophobicContact CD2-CD2 3.87Å; L319-L333 HydrophobicContact CD2-CG 4.34Å
320A97.2Very high95.7Very high0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-122.3152.9171.900000110.6V309 I310 H329 F330 F382 W384V309-A320 CarbonylContact C-O 3.58Å; V309-A320 WeakPolarHBondContact CA-O 3.32Å; I310-A320 PolarHBondContact N-O 2.82Å; I310-A320 PolarHBondContact O-N 2.83Å; A320-H329 CarbonylContact C-O 3.56Å; A320-H329 WeakPolarHBondContact CA-O 3.21Å; A320-F330 HydrophobicContact CB-CD1 3.95Å; A320-F330 HydrophobicContact CB-CE1 3.65Å; A320-F330 HydrophobicContact CB-CZ 4.05Å; A320-F382 HydrophobicContact CB-CE2 3.68Å; A320-F382 HydrophobicContact CB-CZ 3.82Å; A320-W384 HydrophobicContact CB-CH2 4.38Å; A320-W384 HydrophobicContact CB-CZ2 3.49Å; A320-W384 VanDerWaalsContact CB-CZ2 3.49Å
321S97.9Very high95.5Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-137.3143.1172.760.80000111.6H302 Q308 L328 H329 W331H302-S321 PolarHBondContact CD2-OG 2.92Å; H302-S321 PolarHBondContact NE2-O 2.61Å; H302-S321 PolarHBondContact NE2-OG 3.02Å; Q308-S321 CarbonylContact O-C 3.56Å; Q308-S321 WeakPolarHBondContact O-CA 3.48Å; S321-L328 CarbonylContact O-C 3.56Å; S321-L328 WeakPolarHBondContact O-CA 3.36Å; S321-H329 PolarHBondContact N-O 3.12Å; S321-H329 PolarHBondContact O-N 3.2Å; S321-W331 PolarHBondContact OG-NE1 3.28Å
322S96.8Very high95.4Very high0 Ų022.2 Ų22.20%011%0.111CC..EExtended strand (participates in β ladder)trans-120.4143.7175.765.90000111.6F307 Q308 R327 F382F307-S322 PolarHBondContact N-O 2.82Å; Q308-S322 WeakPolarHBondContact CB-OG 3.3Å; Q308-S322 PolarHBondContact N-O 3.42Å; Q308-S322 PolarHBondContact O-N 2.91Å; S322-R327 WeakPolarHBondContact CA-O 3.16Å; S322-F382 WeakPolarHBondContact OG-CD1 3.37Å
323G89.8Confident95.3Very high0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-129.2173.6179.900000115.1H302 D305 D325 R326 R327H302-G323 PolarHBondContact CE1-N 3.02Å; D305-G323 CarbonylContact O-C 3.44Å; D305-G323 WeakPolarHBondContact O-CA 3.21Å; G323-D325 PolarHBondContact O-N 2.84Å; G323-R326 PolarHBondContact O-N 3.06Å; G323-R327 PolarHBondContact N-O 3.07Å
324T95.4Very high95.2Very high37 Ų3724 Ų2423%0.22713%0.126CC..THydrogen-bonded Turntrans-64.1-16.8170.1-59.90000112.4D305 F307 R326 K378D305-T324 PolarHBondContact O-N 2.87Å; F307-T324 WeakPolarHBondContact CD2-OG1 3.39Å; F307-T324 WeakPolarHBondContact CE2-OG1 3.35Å; T324-R326 PolarHBondContact O-N 3.08Å; T324-R326 VanDerWaalsContact O-N 3.08Å; T324-K378 HydrophobicContact CG2-CD 4.24Å
325D93.6Very high95Very high6 Ų625.3 Ų25.33%0.03213%0.131CC..THydrogen-bonded Turntrans-67.6-0.3172.363.25.7000114.3H302 T303 D304 G323 R327H302-D325 WeakPolarHBondContact CA-OD2 3.46Å; H302-D325 IonicContact CE1-OD1 3.38Å; H302-D325 IonicContact CE1-OD2 3.64Å; H302-D325 IonicContact CG-OD2 3.15Å; H302-D325 IonicContact ND1-OD1 3.71Å; H302-D325 PolarHBondContact ND1-OD1 3.46Å; H302-D325 IonicContact ND1-OD2 2.61Å; H302-D325 PolarHBondContact ND1-OD2 2.95Å; T303-D325 PolarHBondContact N-OD2 3.21Å; T303-D325 WeakPolarHBondContact OG1-CB 3.24Å; D304-D325 HydrophobicContact CB-CB 3.84Å; G323-D325 PolarHBondContact O-N 2.84Å; D325-R327 PolarHBondContact O-N 2.87Å; D325-R327 WeakPolarHBondContact OD1-CB 3.46Å; D325-R327 PolarHBondContact OD1-N 3.09Å; D325-R327 VanDerWaalsContact OD1-N 3.09Å
326R94.8Very high95Very high49 Ų4926.7 Ų26.719%0.18514%0.138CC..SBendtrans68.324.7177.7-39.1173.3-65.6-65.4-5.3112.3E16 G323 T324 T376 A377E16-R326 IonicContact OE2-NH2 3.53Å; E16-R326 PolarHBondContact OE2-NH2 3.18Å; G323-R326 PolarHBondContact O-N 3.06Å; T324-R326 PolarHBondContact O-N 3.08Å; T324-R326 VanDerWaalsContact O-N 3.08Å; R326-T376 VanDerWaalsContact CD-C 3.49Å; R326-T376 WeakPolarHBondContact CD-O 3.43Å; R326-A377 WeakPolarHBondContact CB-O 3.43Å; R326-A377 VanDerWaalsContact CG-O 3.32Å; R326-A377 WeakPolarHBondContact CG-O 3.31Å
327R94.4Very high94.9Very high42 Ų4223.6 Ų23.616%0.15814%0.142CC..  trans-120.6144.3-179.2-60.3-58.1-177.9-119.82.2110.8E16 H302 S322 G323 D325 I371 H372 A373E16-R327 IonicContact OE2-CZ 2.83Å; E16-R327 IonicContact OE2-NH2 3.43Å; E16-R327 PolarHBondContact OE2-NH2 3.33Å; H302-R327 PolarHBondContact CE1-O 2.68Å; S322-R327 WeakPolarHBondContact CA-O 3.16Å; G323-R327 PolarHBondContact N-O 3.07Å; D325-R327 PolarHBondContact O-N 2.87Å; D325-R327 WeakPolarHBondContact OD1-CB 3.46Å; D325-R327 PolarHBondContact OD1-N 3.09Å; D325-R327 VanDerWaalsContact OD1-N 3.09Å; R327-I371 HydrophobicContact CB-CG2 3.73Å; R327-I371 HydrophobicContact CG-CG2 3.98Å; R327-H372 WeakPolarHBondContact CA-O 3.28Å; R327-A373 VanDerWaalsContact CZ-CB 3.44Å
328L95.8Very high94.7Very high0 Ų025.5 Ų25.50%015%0.151CC..EExtended strand (participates in β ladder)trans-109.9112.9167.7-96.7155.7000107.2S321 F330 H372 I379 F382 W404S321-L328 CarbonylContact O-C 3.56Å; S321-L328 WeakPolarHBondContact O-CA 3.36Å; L328-F330 HydrophobicContact CB-CE2 4.07Å; L328-F330 WeakPolarHBondContact O-CE2 3.29Å; L328-H372 HydrophobicContact CB-CB 3.83Å; L328-H372 PolarHBondContact N-O 3.24Å; L328-H372 PolarHBondContact O-N 2.84Å; L328-I379 HydrophobicContact CB-CD1 4.35Å; L328-I379 HydrophobicContact CD1-CD1 3.72Å; L328-I379 HydrophobicContact CD1-CG2 4.4Å; L328-I379 HydrophobicContact CG-CD1 3.7Å; L328-F382 HydrophobicContact CD1-CB 4.33Å; L328-F382 HydrophobicContact CD2-CB 4.32Å; L328-F382 HydrophobicContact CD2-CD1 3.59Å; L328-F382 HydrophobicContact CD2-CD2 3.95Å; L328-F382 HydrophobicContact CD2-CE1 3.74Å; L328-F382 HydrophobicContact CD2-CE2 4.12Å; L328-F382 HydrophobicContact CD2-CG 3.68Å; L328-F382 HydrophobicContact CD2-CZ 4.02Å; L328-W404 HydrophobicContact CB-CZ2 4.42Å; L328-W404 HydrophobicContact CD1-CZ2 3.94Å
329H94.8Very high94.5Very high4 Ų435 Ų352%0.01920%0.195CC..EExtended strand (participates in β ladder)trans-95.1149.4176.1-69.966000110S301 H302 A320 S321 W331 L352S301-H329 PolarHBondContact OG-CD2 3Å; S301-H329 VanDerWaalsContact OG-CD2 3.28Å; S301-H329 PolarHBondContact OG-NE2 2.76Å; H302-H329 AromaticContact CD2-ND1 3.86Å; H302-H329 AromaticContact CE1-CE1 3.79Å; H302-H329 AromaticContact CE1-CG 3.97Å; H302-H329 AromaticContact CE1-ND1 3.14Å; H302-H329 PolarHBondContact CE1-ND1 3.1Å; H302-H329 AromaticContact CG-CE1 3.94Å; H302-H329 AromaticContact CG-ND1 3.86Å; H302-H329 AromaticContact ND1-CE1 3.58Å; H302-H329 AromaticContact ND1-ND1 3.41Å; H302-H329 PolarHBondContact ND1-ND1 2.92Å; H302-H329 AromaticContact NE2-CG 3.79Å; H302-H329 AromaticContact NE2-ND1 3.41Å; H302-H329 PolarHBondContact NE2-ND1 3.1Å; A320-H329 CarbonylContact C-O 3.56Å; A320-H329 WeakPolarHBondContact CA-O 3.21Å; S321-H329 PolarHBondContact N-O 3.12Å; S321-H329 PolarHBondContact O-N 3.2Å; H329-W331 HydrophobicContact CB-CH2 4.38Å; H329-W331 HydrophobicContact CB-CZ2 3.57Å; H329-L352 HydrophobicContact CB-CD1 4.06Å
330F95Very high94.1Very high0 Ų038.1 Ų38.10%021%0.21CC..EExtended strand (participates in β ladder)trans-123131.1-179.9-70.3-91000108A320 L328 L352 L353 F370 H372 W384 I392 W404 M406A320-F330 HydrophobicContact CB-CD1 3.95Å; A320-F330 HydrophobicContact CB-CE1 3.65Å; A320-F330 HydrophobicContact CB-CZ 4.05Å; L328-F330 HydrophobicContact CB-CE2 4.07Å; L328-F330 WeakPolarHBondContact O-CE2 3.29Å; F330-L352 WeakPolarHBondContact O-CD1 3.2Å; F330-L353 HydrophobicContact CB-CB 3.68Å; F330-L353 HydrophobicContact CB-CD1 4.38Å; F330-L353 HydrophobicContact CB-CG 4.45Å; F330-L353 WeakPolarHBondContact O-CB 3.39Å; F330-L353 PolarHBondContact O-N 2.97Å; F330-F370 AromaticContact CD2-CD1 3.47Å; F330-F370 HydrophobicContact CD2-CD1 3.47Å; F330-F370 VanDerWaalsContact CD2-CD1 3.47Å; F330-F370 AromaticContact CD2-CE1 3.7Å; F330-F370 HydrophobicContact CD2-CE1 3.7Å; F330-F370 AromaticContact CE2-CD1 3.99Å; F330-F370 HydrophobicContact CE2-CD1 3.99Å; F330-F370 AromaticContact CE2-CE1 3.71Å; F330-F370 HydrophobicContact CE2-CE1 3.71Å; F330-F370 HydrophobicContact CG-CD1 4.06Å; F330-F370 HydrophobicContact CG-CE1 4.44Å; F330-F370 HydrophobicContact CZ-CE1 4.42Å; F330-H372 HydrophobicContact CE2-CB 4.35Å; F330-W384 AromaticContact CD1-CH2 3.57Å; F330-W384 HydrophobicContact CD1-CH2 3.57Å; F330-W384 HydrophobicContact CD1-CZ2 4.05Å; F330-W384 HydrophobicContact CD1-CZ3 4.46Å; F330-W384 AromaticContact CE1-CH2 3.35Å; F330-W384 HydrophobicContact CE1-CH2 3.35Å; F330-W384 AromaticContact CE1-CZ2 3.8Å; F330-W384 HydrophobicContact CE1-CZ2 3.8Å; F330-W384 AromaticContact CE1-CZ3 3.96Å; F330-W384 HydrophobicContact CE1-CZ3 3.96Å; F330-I392 HydrophobicContact CE1-CD1 3.29Å; F330-I392 HydrophobicContact CZ-CD1 3.31Å; F330-W404 HydrophobicContact CE1-CH2 4.31Å; F330-W404 AromaticContact CE2-CH2 3.45Å; F330-W404 HydrophobicContact CE2-CH2 3.45Å; F330-W404 VanDerWaalsContact CE2-CH2 3.45Å; F330-W404 HydrophobicContact CE2-CZ2 4.33Å; F330-W404 HydrophobicContact CE2-CZ3 4.28Å; F330-W404 AromaticContact CZ-CH2 3.25Å; F330-W404 HydrophobicContact CZ-CH2 3.25Å; F330-W404 HydrophobicContact CZ-CZ2 4.03Å; F330-W404 HydrophobicContact CZ-CZ3 4.04Å; F330-M406 HydrophobicContact CD1-CE 3.56Å; F330-M406 HydrophobicContact CD2-CE 4.49Å; F330-M406 HydrophobicContact CE1-CE 3.5Å; F330-M406 VanDerWaalsContact CE1-CE 3.5Å; F330-M406 HydrophobicContact CE2-CE 4.5Å; F330-M406 HydrophobicContact CG-CE 4.09Å; F330-M406 HydrophobicContact CZ-CE 4.05Å
331W95.3Very high93.7Very high0 Ų041.8 Ų41.80%023%0.232CC..EExtended strand (participates in β ladder)trans-122.2133.8-174.3-43.993.3000109.7F299 S301 V318 L319 S321 H329 P349 E351 L352F299-W331 HydrophobicContact CB-CD2 3.9Å; F299-W331 HydrophobicContact CB-CE3 3.91Å; F299-W331 HydrophobicContact CB-CH2 3.73Å; F299-W331 HydrophobicContact CB-CZ2 3.8Å; F299-W331 HydrophobicContact CB-CZ3 3.82Å; F299-W331 HydrophobicContact CD1-CB 3.98Å; F299-W331 AromaticContact CD1-CD2 3.73Å; F299-W331 HydrophobicContact CD1-CD2 3.73Å; F299-W331 AromaticContact CD1-CE3 3.64Å; F299-W331 HydrophobicContact CD1-CE3 3.64Å; F299-W331 AromaticContact CD1-CG 3.91Å; F299-W331 HydrophobicContact CD1-CG 3.91Å; F299-W331 HydrophobicContact CD1-CZ3 4.28Å; F299-W331 HydrophobicContact CE1-CB 3.93Å; F299-W331 HydrophobicContact CE1-CG 4.32Å; F299-W331 AromaticContact CG-CD2 3.97Å; F299-W331 HydrophobicContact CG-CD2 3.97Å; F299-W331 HydrophobicContact CG-CE3 4.13Å; F299-W331 HydrophobicContact CG-CG 4.24Å; S301-W331 VanDerWaalsContact CB-CH2 3.47Å; V318-W331 VanDerWaalsContact CA-O 3.27Å; V318-W331 WeakPolarHBondContact CA-O 3.22Å; L319-W331 HydrophobicContact CD1-CG 4.37Å; L319-W331 HydrophobicContact CD2-CB 4.12Å; L319-W331 HydrophobicContact CG-CB 3.96Å; L319-W331 HydrophobicContact CG-CG 4.27Å; L319-W331 PolarHBondContact N-O 3.02Å; L319-W331 VanDerWaalsContact N-O 3.07Å; L319-W331 PolarHBondContact O-N 2.9Å; S321-W331 PolarHBondContact OG-NE1 3.28Å; H329-W331 HydrophobicContact CB-CH2 4.38Å; H329-W331 HydrophobicContact CB-CZ2 3.57Å; W331-P349 HydrophobicContact CZ3-CG 4.11Å; W331-E351 CarbonylContact C-O 3.57Å; W331-E351 WeakPolarHBondContact CA-O 3.36Å; W331-E351 HydrophobicContact CE3-CG 4.14Å; W331-L352 HydrophobicContact CE3-CB 4.31Å; W331-L352 HydrophobicContact CE3-CD1 4.24Å; W331-L352 HydrophobicContact CZ3-CB 4.16Å; W331-L352 HydrophobicContact CZ3-CD1 4.17Å
332D94.5Very high93.2Very high12 Ų1249.2 Ų49.26%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-114.2108.3171.5-176.95.9000109.9T317 A334 K335 E351T317-D332 WeakPolarHBondContact CB-OD1 3.11Å; T317-D332 WeakPolarHBondContact O-CA 3.45Å; T317-D332 PolarHBondContact OG1-OD1 3.48Å; D332-A334 PolarHBondContact O-N 2.88Å; D332-A334 VanDerWaalsContact O-N 3.14Å; D332-A334 VanDerWaalsContact OD1-CB 3.3Å; D332-A334 WeakPolarHBondContact OD1-CB 3Å; D332-A334 PolarHBondContact OD1-N 2.88Å; D332-K335 HydrophobicContact CB-CG 4.05Å; D332-K335 PolarHBondContact O-N 2.98Å; D332-K335 VanDerWaalsContact O-N 3.11Å; D332-E351 PolarHBondContact N-O 3.28Å; D332-E351 WeakPolarHBondContact O-CB 3.39Å
333L95.2Very high92.7Very high29 Ų2955.3 Ų55.315%0.15230%0.304CS..G310 helixtrans-57.1-29178.3-57.9-175.9000113L274 L286 F299 W311 T317 L319 K335 I336L274-L333 HydrophobicContact CD1-CD1 4.45Å; L286-L333 HydrophobicContact CD2-CD1 4.32Å; L286-L333 HydrophobicContact CD2-CD2 3.9Å; F299-L333 HydrophobicContact CE1-CD2 3.94Å; F299-L333 HydrophobicContact CZ-CD2 3.46Å; F299-L333 VanDerWaalsContact CZ-CD2 3.46Å; W311-L333 HydrophobicContact CH2-CD1 3.72Å; W311-L333 HydrophobicContact CZ3-CD1 3.74Å; W311-L333 HydrophobicContact CZ3-CG 4.41Å; T317-L333 HydrophobicContact CG2-CB 4.4Å; T317-L333 VanDerWaalsContact O-CG 3.29Å; T317-L333 WeakPolarHBondContact O-CG 3.33Å; T317-L333 PolarHBondContact O-N 3.4Å; L319-L333 HydrophobicContact CD2-CD2 3.87Å; L319-L333 HydrophobicContact CD2-CG 4.34Å; L333-K335 PolarHBondContact O-N 3.1Å; L333-I336 HydrophobicContact CB-CD1 4.21Å; L333-I336 HydrophobicContact CD2-CD1 3.77Å; L333-I336 WeakPolarHBondContact O-CB 3.46Å; L333-I336 WeakPolarHBondContact O-CG1 3.46Å; L333-I336 PolarHBondContact O-N 3.02Å
334A94.3Very high92.4Very high63 Ų6358.1 Ų58.152%0.52132%0.319SS..G310 helixtrans-66.9-16.2-177.300000112.7T317 D332T317-A334 HydrophobicContact CG2-CB 4.08Å; D332-A334 PolarHBondContact O-N 2.88Å; D332-A334 VanDerWaalsContact O-N 3.14Å; D332-A334 VanDerWaalsContact OD1-CB 3.3Å; D332-A334 WeakPolarHBondContact OD1-CB 3Å; D332-A334 PolarHBondContact OD1-N 2.88Å
335K92.1Very high92Very high87 Ų8758.9 Ų58.938%0.37833%0.329SS..G310 helixtrans-98.5-3-179.8-55.8-61.4-179.7-177.30113.5D332 L333 G337 D338 P350D332-K335 HydrophobicContact CB-CG 4.05Å; D332-K335 PolarHBondContact O-N 2.98Å; D332-K335 VanDerWaalsContact O-N 3.11Å; L333-K335 PolarHBondContact O-N 3.1Å; K335-G337 PolarHBondContact O-N 3.22Å; K335-G337 VanDerWaalsContact O-N 3.09Å; K335-D338 WeakPolarHBondContact CD-OD2 3.19Å; K335-D338 IonicContact NZ-OD2 3.95Å; K335-D338 WeakPolarHBondContact O-CB 3.47Å; K335-D338 PolarHBondContact O-N 3.16Å; K335-P350 VanDerWaalsContact CB-O 3.27Å; K335-P350 WeakPolarHBondContact CB-O 3.46Å; K335-P350 WeakPolarHBondContact O-CB 3.41Å; K335-P350 WeakPolarHBondContact O-CG 3.41Å
336I94.7Very high91.6Very high58 Ų5864.3 Ų64.330%0.29736%0.362SS..THydrogen-bonded Turntrans-59.9119.1178-67171.1000109.1H297 F299 L333 E351H297-I336 HydrophobicContact CB-CD1 4.27Å; F299-I336 HydrophobicContact CE1-CD1 4.26Å; L333-I336 HydrophobicContact CB-CD1 4.21Å; L333-I336 HydrophobicContact CD2-CD1 3.77Å; L333-I336 WeakPolarHBondContact O-CB 3.46Å; L333-I336 WeakPolarHBondContact O-CG1 3.46Å; L333-I336 PolarHBondContact O-N 3.02Å; I336-E351 HydrophobicContact CG1-CB 3.69Å; I336-E351 HydrophobicContact CG1-CG 4.08Å
337G93.3Very high91.1Very high69 Ų6967 Ų6771%0.71138%0.38SS*.THydrogen-bonded Turntrans85.85.9179.200000115.3K335K335-G337 PolarHBondContact O-N 3.22Å; K335-G337 VanDerWaalsContact O-N 3.09Å
338D93.1Very high90.7Very high79 Ų7965.6 Ų65.642%0.42238%0.379SS..  trans-62.4144.8170-80.5-5.9000110.9K335 P350K335-D338 WeakPolarHBondContact CD-OD2 3.19Å; K335-D338 IonicContact NZ-OD2 3.95Å; K335-D338 WeakPolarHBondContact O-CB 3.47Å; K335-D338 PolarHBondContact O-N 3.16Å; D338-P350 HydrophobicContact CB-CB 4.02Å
339E91.5Very high90.6Very high200 Ų20067 Ų6794%0.93539%0.388SS*.  trans-75.3126.6176.2-66.6-176.7174.100110.5
340Q86.6Confident90.4Very high65 Ų6568 Ų6830%0.30440%0.395SS..  trans-106.8156.4174.4-72.9177.8-60.900111.6D344 A345 G348 P350Q340-D344 HydrophobicContact CB-CB 4.2Å; Q340-D344 HydrophobicContact CG-CB 4.42Å; Q340-A345 HydrophobicContact CB-CB 4.35Å; Q340-G348 PolarHBondContact NE2-O 3.12Å; Q340-G348 PolarHBondContact OE1-O 2.95Å; Q340-P350 HydrophobicContact CG-CB 3.88Å
341T88.7Confident90.3Very high77 Ų7768.5 Ų68.547%0.47240%0.397SS..  trans-70.2163.5164.8740000110.3D343 D344 A345T341-D343 PolarHBondContact O-N 3.11Å; T341-D343 PolarHBondContact OG1-N 3.07Å; T341-D344 WeakPolarHBondContact CB-OD2 3.26Å; T341-D344 WeakPolarHBondContact CG2-OD2 3.16Å; T341-D344 PolarHBondContact N-OD2 3.18Å; T341-D344 PolarHBondContact O-N 2.84Å; T341-D344 PolarHBondContact OG1-N 3.41Å; T341-D344 PolarHBondContact OG1-OD2 3.1Å; T341-A345 WeakPolarHBondContact O-CB 3.45Å; T341-A345 PolarHBondContact O-N 3.47Å
342L88.1Confident90.1Very high156 Ų15668.5 Ų68.582%0.81740%0.397SS*.THydrogen-bonded Turntrans-62-29.8176-72.2174000112.5V346L342-V346 WeakPolarHBondContact O-CG2 3.43Å
343D85Confident89.5Confident128 Ų12868.6 Ų68.668%0.68440%0.397SS*.THydrogen-bonded Turntrans-74.6-44.9179.3-65.4-27.2000110.2T341 A345 V346T341-D343 PolarHBondContact O-N 3.11Å; T341-D343 PolarHBondContact OG1-N 3.07Å; D343-A345 VanDerWaalsContact C-N 3.32Å; D343-A345 PolarHBondContact O-N 3.44Å; D343-V346 WeakPolarHBondContact O-CB 3.44Å; D343-V346 PolarHBondContact O-N 2.93Å; D343-V346 VanDerWaalsContact O-N 3.16Å
344D84.6Confident88Confident59 Ų5969.7 Ų69.732%0.31641%0.405SS..Hα-helixtrans-65.8-34.8178.8-53.3-47.3000112.4Q340 T341 V346 D347 G348 Q369Q340-D344 HydrophobicContact CB-CB 4.2Å; Q340-D344 HydrophobicContact CG-CB 4.42Å; T341-D344 WeakPolarHBondContact CB-OD2 3.26Å; T341-D344 WeakPolarHBondContact CG2-OD2 3.16Å; T341-D344 PolarHBondContact N-OD2 3.18Å; T341-D344 PolarHBondContact O-N 2.84Å; T341-D344 PolarHBondContact OG1-N 3.41Å; T341-D344 PolarHBondContact OG1-OD2 3.1Å; D344-V346 PolarHBondContact O-N 2.87Å; D344-D347 PolarHBondContact O-N 2.87Å; D344-D347 VanDerWaalsContact O-N 3.12Å; D344-G348 PolarHBondContact O-N 3.21Å; D344-Q369 PolarHBondContact O-NE2 3.16Å
345A86.1Confident86.5Confident54 Ų5467 Ų6745%0.44638%0.382SS..Hα-helixtrans-68.1-16178.200000113.3Q340 T341 D343Q340-A345 HydrophobicContact CB-CB 4.35Å; T341-A345 WeakPolarHBondContact O-CB 3.45Å; T341-A345 PolarHBondContact O-N 3.47Å; D343-A345 VanDerWaalsContact C-N 3.32Å; D343-A345 PolarHBondContact O-N 3.44Å
346V85.6Confident84.6Confident119 Ų11964.4 Ų64.472%0.72138%0.377SS*.Hα-helixtrans-76-32172.5172.80000111.1L342 D343 D344L342-V346 WeakPolarHBondContact O-CG2 3.43Å; D343-V346 WeakPolarHBondContact O-CB 3.44Å; D343-V346 PolarHBondContact O-N 2.93Å; D343-V346 VanDerWaalsContact O-N 3.16Å; D344-V346 PolarHBondContact O-N 2.87Å
347D83.5Confident82.6Confident106 Ų10663.3 Ų63.357%0.56737%0.374SS*.Hα-helixtrans-75.6-33.6-178.7-68.1-29.2000111.4D344 Q369D344-D347 PolarHBondContact O-N 2.87Å; D344-D347 VanDerWaalsContact O-N 3.12Å; D347-Q369 HydrophobicContact CB-CG 4.5Å; D347-Q369 PolarHBondContact O-OE1 3.2Å
348G87.5Confident80.6Confident12 Ų1263.9 Ų63.912%0.12436%0.358CS..  trans159.7176.3-178.900000113.7Q340 D344 Q369Q340-G348 PolarHBondContact NE2-O 3.12Å; Q340-G348 PolarHBondContact OE1-O 2.95Å; D344-G348 PolarHBondContact O-N 3.21Å; G348-Q369 VanDerWaalsContact CA-OE1 3.25Å; G348-Q369 VanDerWaalsContact N-NE2 3.17Å; G348-Q369 VanDerWaalsContact N-OE1 3.08Å; G348-Q369 PolarHBondContact O-NE2 3.38Å
349P92.3Very high78.6Confident29 Ų2966.2 Ų66.219%0.18837%0.365CS..  trans-69.1160-177.833.1-37.8000111.9W331 E351 L352W331-P349 HydrophobicContact CZ3-CG 4.11Å; P349-E351 HydrophobicContact CG-CG 4.49Å; P349-E351 PolarHBondContact O-N 3.45Å; P349-L352 HydrophobicContact CG-CB 4.2Å; P349-L352 WeakPolarHBondContact O-CB 3.07Å; P349-L352 PolarHBondContact O-N 2.74Å
350P91.3Very high76.3Confident26 Ų2662.8 Ų62.817%0.16936%0.36CS..THydrogen-bonded Turntrans-64.3-27.9-173.924.8-32.1000113.5K335 D338 Q340 L352K335-P350 VanDerWaalsContact CB-O 3.27Å; K335-P350 WeakPolarHBondContact CB-O 3.46Å; K335-P350 WeakPolarHBondContact O-CB 3.41Å; K335-P350 WeakPolarHBondContact O-CG 3.41Å; D338-P350 HydrophobicContact CB-CB 4.02Å; Q340-P350 HydrophobicContact CG-CB 3.88Å; P350-L352 VanDerWaalsContact C-N 3.29Å; P350-L352 PolarHBondContact O-N 3.38Å
351E93.1Very high74.2Confident10 Ų1062.3 Ų62.35%0.04736%0.363CS..THydrogen-bonded Turntrans-75.4-11.1176.167.6-86.5-16300114.8H297 F299 W331 D332 I336 P349 L353H297-E351 IonicContact CD2-OE1 2.92Å; H297-E351 IonicContact CE1-OE1 3.03Å; H297-E351 IonicContact NE2-OE1 2.77Å; H297-E351 PolarHBondContact NE2-OE1 3.1Å; F299-E351 HydrophobicContact CD1-CG 3.85Å; F299-E351 HydrophobicContact CE1-CG 4.07Å; W331-E351 CarbonylContact C-O 3.57Å; W331-E351 WeakPolarHBondContact CA-O 3.36Å; W331-E351 HydrophobicContact CE3-CG 4.14Å; D332-E351 PolarHBondContact N-O 3.28Å; D332-E351 WeakPolarHBondContact O-CB 3.39Å; I336-E351 HydrophobicContact CG1-CB 3.69Å; I336-E351 HydrophobicContact CG1-CG 4.08Å; P349-E351 HydrophobicContact CG-CG 4.49Å; P349-E351 PolarHBondContact O-N 3.45Å; E351-L353 PolarHBondContact O-N 3.47Å; E351-L353 VanDerWaalsContact O-N 3.11Å
352L91.6Very high72.2Confident0 Ų065.3 Ų65.30%038%0.382CS..BIsolated β-bridgetrans-71108169.9-178.153.9000108.2H329 F330 W331 P349 P350 V354 Q369 I371H329-L352 HydrophobicContact CB-CD1 4.06Å; F330-L352 WeakPolarHBondContact O-CD1 3.2Å; W331-L352 HydrophobicContact CE3-CB 4.31Å; W331-L352 HydrophobicContact CE3-CD1 4.24Å; W331-L352 HydrophobicContact CZ3-CB 4.16Å; W331-L352 HydrophobicContact CZ3-CD1 4.17Å; P349-L352 HydrophobicContact CG-CB 4.2Å; P349-L352 WeakPolarHBondContact O-CB 3.07Å; P349-L352 PolarHBondContact O-N 2.74Å; P350-L352 VanDerWaalsContact C-N 3.29Å; P350-L352 PolarHBondContact O-N 3.38Å; L352-V354 WeakPolarHBondContact O-CG2 3.38Å; L352-V354 PolarHBondContact O-N 3.44Å; L352-Q369 HydrophobicContact CD2-CB 4.29Å; L352-Q369 HydrophobicContact CG-CB 4.24Å; L352-Q369 HydrophobicContact CG-CG 4.45Å; L352-I371 HydrophobicContact CD1-CG1 4.37Å; L352-I371 HydrophobicContact CD2-CD1 4.08Å; L352-I371 HydrophobicContact CD2-CG1 4.17Å
353L80.9Confident70.1Confident14 Ų1467.5 Ų67.57%0.07339%0.385CS..  trans-50.5133-167-174.4147000110.8V318 F330 E351 I355 F370 M406V318-L353 HydrophobicContact CG1-CD1 4.44Å; V318-L353 HydrophobicContact CG2-CD1 4.49Å; F330-L353 HydrophobicContact CB-CB 3.68Å; F330-L353 HydrophobicContact CB-CD1 4.38Å; F330-L353 HydrophobicContact CB-CG 4.45Å; F330-L353 WeakPolarHBondContact O-CB 3.39Å; F330-L353 PolarHBondContact O-N 2.97Å; E351-L353 PolarHBondContact O-N 3.47Å; E351-L353 VanDerWaalsContact O-N 3.11Å; L353-I355 HydrophobicContact CD2-CG2 4.04Å; L353-F370 HydrophobicContact CD2-CB 4.15Å; L353-F370 WeakPolarHBondContact O-CB 3.43Å; L353-F370 PolarHBondContact O-N 3.48Å; L353-M406 HydrophobicContact CD2-SD 4.16Å
354V65.2Low68.2Low53 Ų5363 Ų6332%0.32136%0.363SS..EExtended strand (participates in β ladder)trans-110.6131.3-175.9-1800000109.4L352 L367 F368 Q369L352-V354 WeakPolarHBondContact O-CG2 3.38Å; L352-V354 PolarHBondContact O-N 3.44Å; V354-L367 HydrophobicContact CG1-CB 3.39Å; V354-L367 HydrophobicContact CG1-CD1 4.33Å; V354-L367 HydrophobicContact CG1-CD2 3.64Å; V354-L367 HydrophobicContact CG1-CG 3.92Å; V354-F368 CarbonylContact C-O 3.52Å; V354-F368 VanDerWaalsContact CA-O 3.3Å; V354-F368 WeakPolarHBondContact CA-O 3.29Å; V354-F368 WeakPolarHBondContact CG1-O 3.36Å; V354-Q369 HydrophobicContact CG2-CG 3.93Å
355I62.3Low66.5Low6 Ų667.9 Ų67.93%0.03139%0.389CS..EExtended strand (participates in β ladder)trans-100.7139.7168.458.2161000110.2M27 L353 F368 F370 L409M27-I355 HydrophobicContact CB-CD1 3.97Å; M27-I355 HydrophobicContact CG-CD1 4.01Å; L353-I355 HydrophobicContact CD2-CG2 4.04Å; I355-F368 HydrophobicContact CG1-CB 4.39Å; I355-F368 PolarHBondContact N-O 2.79Å; I355-F368 PolarHBondContact O-N 3.11Å; I355-F370 HydrophobicContact CD1-CD2 3.59Å; I355-F370 HydrophobicContact CD1-CE2 4.25Å; I355-F370 HydrophobicContact CG1-CB 4.15Å; I355-F370 HydrophobicContact CG1-CD2 3.99Å; I355-F370 HydrophobicContact CG2-CB 4Å; I355-F370 HydrophobicContact CG2-CD2 4.08Å; I355-F370 HydrophobicContact CG2-CG 4.21Å; I355-L409 HydrophobicContact CB-CD1 4.05Å
356A50.9Low65Low33 Ų3370 Ų7027%0.27339%0.393SS..EExtended strand (participates in β ladder)trans-76.6155.6167.900000111.9L367 L409A356-L367 HydrophobicContact CB-CD2 4.12Å; A356-L409 HydrophobicContact CB-CB 4.42Å; A356-L409 HydrophobicContact CB-CD1 3.9Å; A356-L409 HydrophobicContact CB-CD2 4.23Å; A356-L409 HydrophobicContact CB-CG 4.4Å; A356-L409 WeakPolarHBondContact O-CD1 3.06Å
357C53.4Low63.6Low34 Ų3469.4 Ų69.423%0.2338%0.384CS..PPolyproline II helixtrans-70.2133.2172.3-167.90000111.4F359 L366 F368C357-F359 PolarHBondContact O-N 3.24Å; C357-F359 VanDerWaalsContact O-N 3.15Å; C357-L366 PolarHBondContact N-O 3.35Å; C357-F368 HydrophobicContact CB-CD2 4.49Å; C357-F368 HydrophobicContact CB-CE2 3.96Å
358Q51.8Low62.4Low81 Ų8168.9 Ų68.938%0.37938%0.377SS..SBendtrans-64.7-12177.1-80.8-171.8-20.200115.2D29 V407D29-Q358 PolarHBondContact OD1-NE2 3.09Å; Q358-V407 HydrophobicContact CG-CB 4.43Å; Q358-V407 HydrophobicContact CG-CG1 3.63Å; Q358-V407 HydrophobicContact CG-CG2 4.06Å; Q358-V407 VanDerWaalsContact NE2-CG2 3.34Å
359F51.2Low61.5Low129 Ų12969.9 Ų69.957%0.56638%0.379SS*.SBendtrans-86.5125.9-178.7-89.5-89.2000111.9F26 C357 C361F26-F359 HydrophobicContact CD1-CD2 4.08Å; F26-F359 HydrophobicContact CD1-CE2 4.16Å; F26-F359 AromaticContact CE1-CD2 3.91Å; F26-F359 HydrophobicContact CE1-CD2 3.91Å; F26-F359 AromaticContact CE1-CE2 3.74Å; F26-F359 HydrophobicContact CE1-CE2 3.74Å; C357-F359 PolarHBondContact O-N 3.24Å; C357-F359 VanDerWaalsContact O-N 3.15Å; F359-C361 PolarHBondContact O-N 3.26Å
360P43.3Very low60.9Low128 Ų12868.5 Ų68.583%0.83137%0.37SS*.  trans-73.477.9171.431.3-33.2000108.8
361C42.7Very low60.7Low54 Ų5469.6 Ų69.637%0.36537%0.374SS..  trans-98.9114.3158.6125.90000107.5F359 F363 C364F359-C361 PolarHBondContact O-N 3.26Å; C361-F363 PolarHBondContact O-N 3.24Å; C361-C364 HydrophobicContact CB-CB 4.41Å; C361-C364 WeakPolarHBondContact CB-SG 3.34Å; C361-C364 PolarHBondContact O-N 3.05Å; C361-C364 WeakPolarHBondContact SG-CB 3.27Å; C361-C364 PolarHBondContact SG-N 3.42Å; C361-C364 CovalentContact SG-SG 2.03Å; C361-C364 PolarHBondContact SG-SG 3.21Å
362T45.7Very low60.7Low141 Ų14169.1 Ų69.187%0.86537%0.371SS*.THydrogen-bonded Turntrans-59.8-0.4178.930.40000114
363F44.5Very low60.7Low201 Ų20169.8 Ų69.888%0.88238%0.377SS*.THydrogen-bonded Turntrans-118.1-1.6177.9-86.5-87.2000114C361C361-F363 PolarHBondContact O-N 3.24Å
364C45.3Very low61.2Low34 Ų3469.2 Ų69.223%0.2337%0.374CS..  trans-133.277.6-176.953.30000111.2C361 L366C361-C364 HydrophobicContact CB-CB 4.41Å; C361-C364 WeakPolarHBondContact CB-SG 3.34Å; C361-C364 PolarHBondContact O-N 3.05Å; C361-C364 WeakPolarHBondContact SG-CB 3.27Å; C361-C364 PolarHBondContact SG-N 3.42Å; C361-C364 CovalentContact SG-SG 2.03Å; C361-C364 PolarHBondContact SG-SG 3.21Å; C364-L366 HydrophobicContact CB-CD1 3.94Å; C364-L366 PolarHBondContact O-N 3.01Å
365N48.7Very low62.6Low162 Ų16266.8 Ų66.887%0.86636%0.36SS*.  trans-74.856.1155.9-77.3-4.5000109.2L367N365-L367 PolarHBondContact O-N 3.04Å
366L53.8Low64.1Low99 Ų9968.6 Ų68.652%0.51837%0.371SS..  trans-78.8112.6175.2-90.2148.2000107.6C357 C364 F368C357-L366 PolarHBondContact N-O 3.35Å; C364-L366 HydrophobicContact CB-CD1 3.94Å; C364-L366 PolarHBondContact O-N 3.01Å; L366-F368 HydrophobicContact CB-CE1 4.42Å; L366-F368 HydrophobicContact CB-CE2 3.92Å; L366-F368 HydrophobicContact CB-CZ 3.77Å; L366-F368 HydrophobicContact CD2-CE1 4.3Å; L366-F368 HydrophobicContact CD2-CZ 4.33Å; L366-F368 HydrophobicContact CG-CZ 4.46Å
367L55.6Low66.2Low105 Ų10568 Ų6855%0.5537%0.366SS..EExtended strand (participates in β ladder)trans-90.7122.7173.3-85.7-176.5000106.6V354 A356 N365V354-L367 HydrophobicContact CG1-CB 3.39Å; V354-L367 HydrophobicContact CG1-CD1 4.33Å; V354-L367 HydrophobicContact CG1-CD2 3.64Å; V354-L367 HydrophobicContact CG1-CG 3.92Å; A356-L367 HydrophobicContact CB-CD2 4.12Å; N365-L367 PolarHBondContact O-N 3.04Å
368F58.8Low68.2Low95 Ų9568.8 Ų68.842%0.41737%0.365SS..EExtended strand (participates in β ladder)trans-112.7125.6179.6-62.7-72.5000109.6V354 I355 C357 L366 F370V354-F368 CarbonylContact C-O 3.52Å; V354-F368 VanDerWaalsContact CA-O 3.3Å; V354-F368 WeakPolarHBondContact CA-O 3.29Å; V354-F368 WeakPolarHBondContact CG1-O 3.36Å; I355-F368 HydrophobicContact CG1-CB 4.39Å; I355-F368 PolarHBondContact N-O 2.79Å; I355-F368 PolarHBondContact O-N 3.11Å; C357-F368 HydrophobicContact CB-CD2 4.49Å; C357-F368 HydrophobicContact CB-CE2 3.96Å; L366-F368 HydrophobicContact CB-CE1 4.42Å; L366-F368 HydrophobicContact CB-CE2 3.92Å; L366-F368 HydrophobicContact CB-CZ 3.77Å; L366-F368 HydrophobicContact CD2-CE1 4.3Å; L366-F368 HydrophobicContact CD2-CZ 4.33Å; L366-F368 HydrophobicContact CG-CZ 4.46Å; F368-F370 PolarHBondContact O-N 3.43Å
369Q69.8Low70.3Confident34 Ų3464.9 Ų64.916%0.15935%0.347CS..EExtended strand (participates in β ladder)trans-60.4126.6169.5-71175.61200109.5D344 D347 G348 L352 V354 I371D344-Q369 PolarHBondContact O-NE2 3.16Å; D347-Q369 HydrophobicContact CB-CG 4.5Å; D347-Q369 PolarHBondContact O-OE1 3.2Å; G348-Q369 VanDerWaalsContact CA-OE1 3.25Å; G348-Q369 VanDerWaalsContact N-NE2 3.17Å; G348-Q369 VanDerWaalsContact N-OE1 3.08Å; G348-Q369 PolarHBondContact O-NE2 3.38Å; L352-Q369 HydrophobicContact CD2-CB 4.29Å; L352-Q369 HydrophobicContact CG-CB 4.24Å; L352-Q369 HydrophobicContact CG-CG 4.45Å; V354-Q369 HydrophobicContact CG2-CG 3.93Å; Q369-I371 PolarHBondContact O-N 3.13Å
370F79.7Confident72.5Confident0 Ų059.9 Ų59.90%033%0.329CS..  trans-90.2107.3-176-173.2-95.5000110M27 Y28 F330 L353 I355 F368 H372 W404 M406M27-F370 HydrophobicContact CB-CE2 4.18Å; Y28-F370 HydrophobicContact CD1-CE2 4.38Å; Y28-F370 HydrophobicContact CD1-CZ 4.17Å; Y28-F370 AromaticContact CE1-CE2 3.86Å; Y28-F370 HydrophobicContact CE1-CE2 3.86Å; Y28-F370 AromaticContact CE1-CZ 3.48Å; Y28-F370 HydrophobicContact CE1-CZ 3.48Å; Y28-F370 VanDerWaalsContact CE1-CZ 3.48Å; Y28-F370 AromaticContact CZ-CZ 4Å; F330-F370 AromaticContact CD2-CD1 3.47Å; F330-F370 HydrophobicContact CD2-CD1 3.47Å; F330-F370 VanDerWaalsContact CD2-CD1 3.47Å; F330-F370 AromaticContact CD2-CE1 3.7Å; F330-F370 HydrophobicContact CD2-CE1 3.7Å; F330-F370 AromaticContact CE2-CD1 3.99Å; F330-F370 HydrophobicContact CE2-CD1 3.99Å; F330-F370 AromaticContact CE2-CE1 3.71Å; F330-F370 HydrophobicContact CE2-CE1 3.71Å; F330-F370 HydrophobicContact CG-CD1 4.06Å; F330-F370 HydrophobicContact CG-CE1 4.44Å; F330-F370 HydrophobicContact CZ-CE1 4.42Å; L353-F370 HydrophobicContact CD2-CB 4.15Å; L353-F370 WeakPolarHBondContact O-CB 3.43Å; L353-F370 PolarHBondContact O-N 3.48Å; I355-F370 HydrophobicContact CD1-CD2 3.59Å; I355-F370 HydrophobicContact CD1-CE2 4.25Å; I355-F370 HydrophobicContact CG1-CB 4.15Å; I355-F370 HydrophobicContact CG1-CD2 3.99Å; I355-F370 HydrophobicContact CG2-CB 4Å; I355-F370 HydrophobicContact CG2-CD2 4.08Å; I355-F370 HydrophobicContact CG2-CG 4.21Å; F368-F370 PolarHBondContact O-N 3.43Å; F370-H372 HydrophobicContact CE1-CB 4.3Å; F370-W404 AromaticContact CE1-CH2 3.85Å; F370-W404 HydrophobicContact CE1-CH2 3.85Å; F370-W404 AromaticContact CE1-CZ3 3.54Å; F370-W404 HydrophobicContact CE1-CZ3 3.54Å; F370-W404 HydrophobicContact CZ-CE3 4.28Å; F370-W404 HydrophobicContact CZ-CH2 4.2Å; F370-W404 AromaticContact CZ-CZ3 3.54Å; F370-W404 HydrophobicContact CZ-CZ3 3.54Å; F370-M406 HydrophobicContact CD1-CB 4.44Å; F370-M406 HydrophobicContact CD1-CE 4.3Å; F370-M406 HydrophobicContact CD1-SD 4.39Å; F370-M406 HydrophobicContact CD2-CB 4.3Å; F370-M406 HydrophobicContact CE1-CB 3.88Å; F370-M406 HydrophobicContact CE1-CE 3.92Å; F370-M406 HydrophobicContact CE1-SD 4.4Å; F370-M406 HydrophobicContact CE2-CB 3.68Å; F370-M406 HydrophobicContact CZ-CB 3.43Å; F370-M406 VanDerWaalsContact CZ-CB 3.43Å
371I86.6Confident75.1Confident48 Ų4853.9 Ų53.925%0.24629%0.289CS..EExtended strand (participates in β ladder)trans-119.8122.8168.2-56.1174.5000106.8R327 L352 Q369 A373R327-I371 HydrophobicContact CB-CG2 3.73Å; R327-I371 HydrophobicContact CG-CG2 3.98Å; L352-I371 HydrophobicContact CD1-CG1 4.37Å; L352-I371 HydrophobicContact CD2-CD1 4.08Å; L352-I371 HydrophobicContact CD2-CG1 4.17Å; Q369-I371 PolarHBondContact O-N 3.13Å; I371-A373 PolarHBondContact O-N 3.1Å
372H92.6Very high77.8Confident0 Ų051.3 Ų51.30%027%0.272CS..EExtended strand (participates in β ladder)trans-75.8113172.5171.987.2000109.9Y28 R327 L328 F330 F370 G374 H375 Q402 W404Y28-H372 AromaticContact CE1-ND1 3.73Å; Y28-H372 AromaticContact CZ-ND1 3.73Å; Y28-H372 PolarHBondContact OH-ND1 2.74Å; Y28-H372 VanDerWaalsContact OH-ND1 3.14Å; R327-H372 WeakPolarHBondContact CA-O 3.28Å; L328-H372 HydrophobicContact CB-CB 3.83Å; L328-H372 PolarHBondContact N-O 3.24Å; L328-H372 PolarHBondContact O-N 2.84Å; F330-H372 HydrophobicContact CE2-CB 4.35Å; F370-H372 HydrophobicContact CE1-CB 4.3Å; H372-G374 PolarHBondContact NE2-N 2.83Å; H372-H375 AromaticContact CD2-CD2 3.92Å; H372-H375 AromaticContact NE2-CD2 3.39Å; H372-H375 PolarHBondContact NE2-CD2 3.11Å; H372-H375 AromaticContact NE2-NE2 3.84Å; H372-Q402 PolarHBondContact CE1-OE1 2.9Å; H372-Q402 PolarHBondContact NE2-OE1 2.95Å; H372-W404 HydrophobicContact CB-CH2 3.4Å; H372-W404 VanDerWaalsContact CB-CH2 3.4Å; H372-W404 HydrophobicContact CB-CZ2 3.51Å; H372-W404 HydrophobicContact CB-CZ3 4.2Å; H372-W404 AromaticContact CD2-CZ2 3.76Å; H372-W404 AromaticContact CE1-CD1 3.75Å; H372-W404 AromaticContact CE1-CE2 3.64Å; H372-W404 AromaticContact CE1-NE1 3.48Å; H372-W404 PolarHBondContact CE1-NE1 2.83Å; H372-W404 AromaticContact CG-CE2 3.65Å; H372-W404 AromaticContact CG-CH2 3.68Å; H372-W404 AromaticContact CG-CZ2 3.29Å; H372-W404 AromaticContact ND1-CD2 3.69Å; H372-W404 AromaticContact ND1-CE2 3.41Å; H372-W404 AromaticContact ND1-CH2 3.93Å; H372-W404 AromaticContact ND1-CZ2 3.55Å; H372-W404 AromaticContact ND1-NE1 3.76Å; H372-W404 AromaticContact NE2-NE1 3.71Å
373A91.4Very high80.3Confident15 Ų1545.8 Ų45.812%0.12424%0.237CC..  trans-114.823.1-176.400000112.8W20 R327 I371W20-A373 HydrophobicContact CB-CB 4.45Å; W20-A373 HydrophobicContact CG-CB 4.17Å; R327-A373 VanDerWaalsContact CZ-CB 3.44Å; I371-A373 PolarHBondContact O-N 3.1Å
374G91Very high82.8Confident1 Ų136.5 Ų36.51%0.0120%0.196CC..  trans-76.4-18.9-175.400000114.9Y17 W20 H372 Q402Y17-G374 VanDerWaalsContact CE2-O 3.28Å; Y17-G374 WeakPolarHBondContact CE2-O 3.45Å; W20-G374 VanDerWaalsContact CE2-CA 3.46Å; W20-G374 VanDerWaalsContact CH2-CA 3.44Å; H372-G374 PolarHBondContact NE2-N 2.83Å; G374-Q402 PolarHBondContact O-NE2 2.84Å
375H94.7Very high85.3Confident2 Ų234.9 Ų34.91%0.00919%0.185CC..  trans-89.1142.2179.4-71.4-73.3000112.4H372 I379 S394 A396H372-H375 AromaticContact CD2-CD2 3.92Å; H372-H375 AromaticContact NE2-CD2 3.39Å; H372-H375 PolarHBondContact NE2-CD2 3.11Å; H372-H375 AromaticContact NE2-NE2 3.84Å; H375-I379 HydrophobicContact CB-CD1 4.36Å; H375-I379 HydrophobicContact CB-CG1 3.99Å; H375-S394 WeakPolarHBondContact NE2-CB 3.3Å; H375-S394 PolarHBondContact NE2-OG 3.24Å; H375-A396 HydrophobicContact CB-CB 4.31Å; H375-A396 VanDerWaalsContact ND1-CB 3.35Å; H375-A396 WeakPolarHBondContact ND1-CB 3.47Å
376T94.3Very high87.5Confident45 Ų4529.2 Ų29.228%0.27616%0.158SC..SBendtrans-104.1-6.5178.642.20000113.8V13 Y17 R326 D398V13-T376 HydrophobicContact CG1-CG2 3.88Å; Y17-T376 HydrophobicContact CD2-CG2 3.74Å; Y17-T376 HydrophobicContact CE2-CG2 4.41Å; Y17-T376 HydrophobicContact CG-CG2 3.86Å; R326-T376 VanDerWaalsContact CD-C 3.49Å; R326-T376 WeakPolarHBondContact CD-O 3.43Å; T376-D398 PolarHBondContact OG1-OD2 3.02Å
377A94.8Very high89.3Confident20 Ų2028.8 Ų28.817%0.16515%0.149CC..SBendtrans-127.8177.7171.300000111.5R326 I379 E397 D398R326-A377 WeakPolarHBondContact CB-O 3.43Å; R326-A377 VanDerWaalsContact CG-O 3.32Å; R326-A377 WeakPolarHBondContact CG-O 3.31Å; A377-I379 PolarHBondContact O-N 3.26Å; A377-E397 HydrophobicContact CB-CB 4.3Å; A377-D398 HydrophobicContact CB-CB 3.66Å; A377-D398 WeakPolarHBondContact CB-OD2 3.47Å; A377-D398 PolarHBondContact N-OD2 3.18Å
378K95.4Very high91Very high50 Ų5025.3 Ų25.322%0.21713%0.13CC..  trans-57134.1175.9168.6174.8171.4-172.50109.4F307 T324 A396 E397F307-K378 HydrophobicContact CE2-CD 4.47Å; F307-K378 VanDerWaalsContact CE2-NZ 3.29Å; T324-K378 HydrophobicContact CG2-CD 4.24Å; K378-A396 VanDerWaalsContact O-CA 3.28Å; K378-A396 WeakPolarHBondContact O-CA 3.39Å; K378-A396 WeakPolarHBondContact O-CB 3.34Å; K378-E397 HydrophobicContact CB-CG 4.29Å; K378-E397 WeakPolarHBondContact CD-OE1 3.42Å; K378-E397 PolarHBondContact O-N 3.14Å; K378-E397 VanDerWaalsContact O-N 3.07Å
379I97Very high92.6Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-79.3123175.1-58.5173.5000107.1L328 H375 A377L328-I379 HydrophobicContact CB-CD1 4.35Å; L328-I379 HydrophobicContact CD1-CD1 3.72Å; L328-I379 HydrophobicContact CD1-CG2 4.4Å; L328-I379 HydrophobicContact CG-CD1 3.7Å; H375-I379 HydrophobicContact CB-CD1 4.36Å; H375-I379 HydrophobicContact CB-CG1 3.99Å; A377-I379 PolarHBondContact O-N 3.26Å
380S97Very high93.6Very high24 Ų2422.2 Ų22.217%0.16811%0.114CC..EExtended strand (participates in β ladder)trans-86.3-42.3-176-53.20000112V395S380-V395 PolarHBondContact N-O 3.03Å
381D98.2Very high94.3Very high2 Ų222.4 Ų22.41%0.01112%0.115CC..EExtended strand (participates in β ladder)trans-158.1159.7177.4-15916.7000109L41 T42 V43 R121 Q308 V395L41-D381 WeakPolarHBondContact O-CB 3.4Å; T42-D381 WeakPolarHBondContact CA-OD2 3.24Å; V43-D381 HydrophobicContact CG1-CB 4.07Å; V43-D381 PolarHBondContact N-OD2 2.95Å; R121-D381 IonicContact CZ-OD2 2.79Å; R121-D381 IonicContact NH1-OD2 2.76Å; R121-D381 PolarHBondContact NH1-OD2 2.61Å; R121-D381 VanDerWaalsContact NH1-OD2 3.13Å; R121-D381 IonicContact NH2-OD1 2.69Å; R121-D381 PolarHBondContact NH2-OD1 3.21Å; R121-D381 IonicContact NH2-OD2 2.89Å; R121-D381 PolarHBondContact NH2-OD2 3.31Å; Q308-D381 PolarHBondContact NE2-OD1 3.41Å; D381-V395 HydrophobicContact CB-CG2 4.17Å; D381-V395 WeakPolarHBondContact O-CG2 3.4Å; D381-V395 PolarHBondContact O-N 2.77Å
382F98.4Very high94.8Very high0 Ų020.1 Ų20.10%010%0.103CC..EExtended strand (participates in β ladder)trans-146.7161.1170.973.8-86.2000109.7V43 Q308 I310 A320 S322 L328 I392 G393V43-F382 VanDerWaalsContact CG1-CA 3.44Å; Q308-F382 HydrophobicContact CB-CD1 4.11Å; Q308-F382 HydrophobicContact CB-CE1 3.74Å; Q308-F382 HydrophobicContact CG-CD1 3.79Å; Q308-F382 HydrophobicContact CG-CE1 3.43Å; Q308-F382 VanDerWaalsContact CG-CE1 3.43Å; Q308-F382 HydrophobicContact CG-CZ 4.2Å; I310-F382 HydrophobicContact CB-CE2 3.89Å; I310-F382 HydrophobicContact CB-CZ 3.9Å; I310-F382 HydrophobicContact CD1-CD1 4.49Å; I310-F382 HydrophobicContact CD1-CD2 4.11Å; I310-F382 HydrophobicContact CD1-CE1 4.28Å; I310-F382 HydrophobicContact CD1-CE2 3.84Å; I310-F382 HydrophobicContact CD1-CG 4.43Å; I310-F382 HydrophobicContact CD1-CZ 3.93Å; I310-F382 WeakPolarHBondContact CD1-O 2.85Å; I310-F382 HydrophobicContact CG1-CE1 4.27Å; I310-F382 HydrophobicContact CG1-CE2 3.95Å; I310-F382 HydrophobicContact CG1-CZ 3.71Å; A320-F382 HydrophobicContact CB-CE2 3.68Å; A320-F382 HydrophobicContact CB-CZ 3.82Å; S322-F382 WeakPolarHBondContact OG-CD1 3.37Å; L328-F382 HydrophobicContact CD1-CB 4.33Å; L328-F382 HydrophobicContact CD2-CB 4.32Å; L328-F382 HydrophobicContact CD2-CD1 3.59Å; L328-F382 HydrophobicContact CD2-CD2 3.95Å; L328-F382 HydrophobicContact CD2-CE1 3.74Å; L328-F382 HydrophobicContact CD2-CE2 4.12Å; L328-F382 HydrophobicContact CD2-CG 3.68Å; L328-F382 HydrophobicContact CD2-CZ 4.02Å; F382-I392 HydrophobicContact CB-CG2 4.29Å; F382-I392 HydrophobicContact CD2-CG2 4.36Å; F382-G393 CarbonylContact C-O 3.58Å; F382-G393 WeakPolarHBondContact CA-O 3.46Å; F382-G393 WeakPolarHBondContact CB-O 3.34Å
383D98.5Very high95Very high25 Ų2520.1 Ų20.113%0.13410%0.103CC..EExtended strand (participates in β ladder)trans-147.5143.5175.6-169.832.3000111.7Q44 W45 I392 G393Q44-D383 WeakPolarHBondContact CA-OD2 3.27Å; Q44-D383 WeakPolarHBondContact CG-OD2 3.29Å; W45-D383 PolarHBondContact N-OD2 3.12Å; W45-D383 PolarHBondContact NE1-O 3.32Å; D383-I392 WeakPolarHBondContact O-CA 3.26Å; D383-G393 PolarHBondContact N-O 3.36Å; D383-G393 PolarHBondContact O-N 3.27Å
384W98Very high95.4Very high5 Ų519.4 Ų19.42%0.01910%0.097CC..EExtended strand (participates in β ladder)trans-76.6137.1174.7-69.1100.8000110.2I310 W311 P313 V318 A320 F330 F390 I392 M406I310-W384 PolarHBondContact O-NE1 2.89Å; W311-W384 VanDerWaalsContact O-CD1 3.27Å; W311-W384 PolarHBondContact O-NE1 3.24Å; P313-W384 VanDerWaalsContact CD-CB 3.42Å; P313-W384 HydrophobicContact CG-CB 3.82Å; V318-W384 HydrophobicContact CG1-CH2 4.02Å; V318-W384 HydrophobicContact CG1-CZ2 4.22Å; A320-W384 HydrophobicContact CB-CH2 4.38Å; A320-W384 HydrophobicContact CB-CZ2 3.49Å; A320-W384 VanDerWaalsContact CB-CZ2 3.49Å; F330-W384 AromaticContact CD1-CH2 3.57Å; F330-W384 HydrophobicContact CD1-CH2 3.57Å; F330-W384 HydrophobicContact CD1-CZ2 4.05Å; F330-W384 HydrophobicContact CD1-CZ3 4.46Å; F330-W384 AromaticContact CE1-CH2 3.35Å; F330-W384 HydrophobicContact CE1-CH2 3.35Å; F330-W384 AromaticContact CE1-CZ2 3.8Å; F330-W384 HydrophobicContact CE1-CZ2 3.8Å; F330-W384 AromaticContact CE1-CZ3 3.96Å; F330-W384 HydrophobicContact CE1-CZ3 3.96Å; W384-F390 HydrophobicContact CH2-CD1 4.35Å; W384-F390 HydrophobicContact CZ3-CD1 4.03Å; W384-I392 HydrophobicContact CD2-CD1 3.99Å; W384-I392 HydrophobicContact CD2-CG1 3.98Å; W384-I392 HydrophobicContact CE3-CD1 3.64Å; W384-I392 HydrophobicContact CE3-CG1 3.54Å; W384-I392 HydrophobicContact CH2-CD1 4.01Å; W384-I392 HydrophobicContact CZ2-CD1 4.29Å; W384-I392 HydrophobicContact CZ3-CD1 3.62Å; W384-I392 HydrophobicContact CZ3-CG1 3.96Å; W384-M406 HydrophobicContact CZ3-CE 4.5Å
385H97Very high95.7Very high0 Ų019.3 Ų19.30%010%0.097CC..  trans-69.8130175-172.8-72.9000110W45 D54 H314 R387 E388 M391W45-H385 HydrophobicContact CD2-CB 4.4Å; W45-H385 AromaticContact CD2-CD2 3.58Å; W45-H385 AromaticContact CE2-CD2 3.81Å; W45-H385 AromaticContact CE3-CD2 3.49Å; W45-H385 VanDerWaalsContact CE3-CD2 3.49Å; W45-H385 HydrophobicContact CG-CB 4.47Å; W45-H385 AromaticContact CH2-CD2 3.89Å; W45-H385 AromaticContact CZ2-CD2 3.96Å; W45-H385 AromaticContact CZ3-CD2 3.67Å; D54-H385 IonicContact OD1-CE1 2.92Å; D54-H385 IonicContact OD1-NE2 2.87Å; D54-H385 PolarHBondContact OD1-NE2 2.94Å; D54-H385 VanDerWaalsContact OD1-NE2 3.15Å; D54-H385 IonicContact OD2-NE2 3.76Å; H314-H385 PolarHBondContact NE2-O 2.7Å; H385-R387 VanDerWaalsContact C-N 3.31Å; H385-R387 PolarHBondContact ND1-N 2.97Å; H385-R387 PolarHBondContact O-N 3.43Å; H385-E388 PolarHBondContact ND1-N 2.83Å; H385-M391 HydrophobicContact CB-CB 3.73Å; H385-M391 HydrophobicContact CB-CG 3.89Å; H385-M391 VanDerWaalsContact CB-O 3.3Å; H385-M391 WeakPolarHBondContact CB-O 3.18Å; H385-M391 HydrophobicContact CB-SD 4.27Å; H385-M391 PolarHBondContact N-O 3.05Å
386P94.6Very high95.8Very high44 Ų4419.3 Ų19.329%0.28610%0.097SC..SBendtrans-74.2-15.2-169.826.9-36000114.8W45 H314W45-P386 VanDerWaalsContact CB-CD 3.48Å; W45-P386 HydrophobicContact CB-CG 4.24Å; H314-P386 PolarHBondContact CE1-O 2.83Å; H314-P386 VanDerWaalsContact CE1-O 3.24Å
387R92Very high95.8Very high90 Ų9022 Ų2234%0.3411%0.106SC..SBendtrans-115-49.8178.5-59.8176.4-83.7-85.3-15.5114.9P47 R49 D54 H314 H385 R389P47-R387 VanDerWaalsContact C-NH1 3.31Å; P47-R387 PolarHBondContact O-NH1 3.3Å; R49-R387 VanDerWaalsContact CG-NH2 3.33Å; D54-R387 IonicContact OD1-CZ 3.8Å; D54-R387 IonicContact OD1-NE 3.83Å; D54-R387 IonicContact OD1-NH2 3.21Å; D54-R387 PolarHBondContact OD1-NH2 3.27Å; H314-R387 PolarHBondContact CE1-O 2.93Å; H385-R387 VanDerWaalsContact C-N 3.31Å; H385-R387 PolarHBondContact ND1-N 2.97Å; H385-R387 PolarHBondContact O-N 3.43Å; R387-R389 PolarHBondContact O-N 2.7Å
388E91.6Very high95.8Very high31 Ų3123.4 Ų23.415%0.14511%0.111CC..SBendtrans-79.1113.4178.1-56.1-62.2165.700110.7R49 L76 K79 H385 M391R49-E388 IonicContact NH2-OE1 2.77Å; R49-E388 PolarHBondContact NH2-OE1 3.19Å; L76-E388 HydrophobicContact CD1-CG 4.46Å; K79-E388 WeakPolarHBondContact CE-OE2 3.49Å; K79-E388 IonicContact NZ-OE2 3.96Å; K79-E388 PolarHBondContact NZ-OE2 3.39Å; H385-E388 PolarHBondContact ND1-N 2.83Å; E388-M391 HydrophobicContact CB-CB 3.89Å; E388-M391 HydrophobicContact CB-CE 3.77Å; E388-M391 HydrophobicContact CB-SD 4.06Å; E388-M391 HydrophobicContact CG-CE 3.92Å; E388-M391 HydrophobicContact CG-SD 4.26Å; E388-M391 PolarHBondContact O-N 2.82Å
389R91.8Very high95.9Very high59 Ų5923 Ų2322%0.22311%0.111CC..THydrogen-bonded Turntrans-59.1139.2176.3-174.8173177.7-105.52.2110.9H314 D315 R387 M391 Q405 D408 L410H314-R389 HydrophobicContact CB-CG 4.13Å; D315-R389 IonicContact OD1-CZ 2.59Å; D315-R389 VanDerWaalsContact OD1-CZ 3.28Å; D315-R389 IonicContact OD1-NE 3.73Å; D315-R389 PolarHBondContact OD1-NE 3.39Å; D315-R389 IonicContact OD1-NH2 3.27Å; D315-R389 PolarHBondContact OD1-NH2 2.78Å; D315-R389 IonicContact OD2-CZ 3.38Å; D315-R389 IonicContact OD2-NE 3.87Å; D315-R389 PolarHBondContact OD2-NE 3.16Å; D315-R389 IonicContact OD2-NH2 2.71Å; R387-R389 PolarHBondContact O-N 2.7Å; R389-M391 PolarHBondContact O-N 3.42Å; R389-M391 VanDerWaalsContact O-N 3.1Å; R389-Q405 PolarHBondContact O-NE2 2.62Å; R389-D408 IonicContact CZ-OD1 3.89Å; R389-D408 IonicContact NH1-OD1 2.69Å; R389-D408 PolarHBondContact NH1-OD1 2.78Å; R389-D408 IonicContact NH1-OD2 2.83Å; R389-D408 PolarHBondContact NH1-OD2 2.96Å; R389-L410 VanDerWaalsContact NH2-CD1 3.3Å
390F91.1Very high95.8Very high5 Ų524 Ų242%0.02212%0.116CC..THydrogen-bonded Turntrans58.212.9-178.1-60.2-44.9000118V318 W384 Q405 M406 D408 L410V318-F390 HydrophobicContact CG1-CE1 4.35Å; V318-F390 HydrophobicContact CG2-CE1 4.49Å; W384-F390 HydrophobicContact CH2-CD1 4.35Å; W384-F390 HydrophobicContact CZ3-CD1 4.03Å; F390-Q405 WeakPolarHBondContact O-CA 2.84Å; F390-M406 HydrophobicContact CB-CE 3.99Å; F390-M406 HydrophobicContact CB-CG 3.69Å; F390-M406 HydrophobicContact CB-SD 3.92Å; F390-M406 HydrophobicContact CD1-CE 3.99Å; F390-M406 HydrophobicContact CD1-SD 3.74Å; F390-M406 HydrophobicContact CD2-CG 4.14Å; F390-M406 HydrophobicContact CD2-SD 4.16Å; F390-M406 HydrophobicContact CE1-SD 4.24Å; F390-M406 HydrophobicContact CG-CE 4.2Å; F390-M406 HydrophobicContact CG-CG 3.93Å; F390-M406 HydrophobicContact CG-SD 3.71Å; F390-M406 PolarHBondContact O-N 3.42Å; F390-D408 HydrophobicContact CD2-CB 4.47Å; F390-L410 HydrophobicContact CE2-CD1 4.35Å; F390-L410 HydrophobicContact CZ-CD1 4Å
391M94.3Very high95.8Very high4 Ų422.9 Ų22.92%0.0211%0.109CC..EExtended strand (participates in β ladder)trans-90.5136.8171-178.6177.6-58.800110.4M30 L76 H385 E388 R389 W404 Q405M30-M391 HydrophobicContact CE-CE 3.38Å; M30-M391 HydrophobicContact CE-CG 4.08Å; M30-M391 HydrophobicContact CE-SD 3.7Å; M30-M391 HydrophobicContact SD-CE 4.09Å; L76-M391 HydrophobicContact CD1-CE 3.89Å; L76-M391 HydrophobicContact CD1-SD 3.57Å; L76-M391 VanDerWaalsContact CD1-SD 3.57Å; L76-M391 HydrophobicContact CD2-CE 4.49Å; L76-M391 HydrophobicContact CD2-SD 4.06Å; H385-M391 HydrophobicContact CB-CB 3.73Å; H385-M391 HydrophobicContact CB-CG 3.89Å; H385-M391 VanDerWaalsContact CB-O 3.3Å; H385-M391 WeakPolarHBondContact CB-O 3.18Å; H385-M391 HydrophobicContact CB-SD 4.27Å; H385-M391 PolarHBondContact N-O 3.05Å; E388-M391 HydrophobicContact CB-CB 3.89Å; E388-M391 HydrophobicContact CB-CE 3.77Å; E388-M391 HydrophobicContact CB-SD 4.06Å; E388-M391 HydrophobicContact CG-CE 3.92Å; E388-M391 HydrophobicContact CG-SD 4.26Å; E388-M391 PolarHBondContact O-N 2.82Å; R389-M391 PolarHBondContact O-N 3.42Å; R389-M391 VanDerWaalsContact O-N 3.1Å; M391-W404 CarbonylContact C-O 3.51Å; M391-W404 WeakPolarHBondContact CA-O 3.42Å; M391-Q405 HydrophobicContact CB-CB 4.21Å; M391-Q405 HydrophobicContact CB-CG 4.24Å; M391-Q405 HydrophobicContact CE-CB 4.36Å
392I97Very high95.7Very high0 Ų022.9 Ų22.90%011%0.108CC..EExtended strand (participates in β ladder)trans-133144.2-177.1-75173.4000110.3F330 F382 D383 W384 I403 W404F330-I392 HydrophobicContact CE1-CD1 3.29Å; F330-I392 HydrophobicContact CZ-CD1 3.31Å; F382-I392 HydrophobicContact CB-CG2 4.29Å; F382-I392 HydrophobicContact CD2-CG2 4.36Å; D383-I392 WeakPolarHBondContact O-CA 3.26Å; W384-I392 HydrophobicContact CD2-CD1 3.99Å; W384-I392 HydrophobicContact CD2-CG1 3.98Å; W384-I392 HydrophobicContact CE3-CD1 3.64Å; W384-I392 HydrophobicContact CE3-CG1 3.54Å; W384-I392 HydrophobicContact CH2-CD1 4.01Å; W384-I392 HydrophobicContact CZ2-CD1 4.29Å; W384-I392 HydrophobicContact CZ3-CD1 3.62Å; W384-I392 HydrophobicContact CZ3-CG1 3.96Å; I392-I403 WeakPolarHBondContact O-CA 3.48Å; I392-W404 HydrophobicContact CB-CD2 4.37Å; I392-W404 HydrophobicContact CB-CZ2 4.13Å; I392-W404 HydrophobicContact CD1-CH2 4.05Å; I392-W404 HydrophobicContact CD1-CZ2 4.21Å; I392-W404 HydrophobicContact CG2-CZ2 3.96Å; I392-W404 PolarHBondContact N-O 2.69Å; I392-W404 PolarHBondContact O-N 3.46Å
393G97.4Very high95.5Very high0 Ų022.9 Ų22.90%011%0.109CC..EExtended strand (participates in β ladder)trans-106.2132.2161.600000109.3F382 D383 Q402F382-G393 CarbonylContact C-O 3.58Å; F382-G393 WeakPolarHBondContact CA-O 3.46Å; F382-G393 WeakPolarHBondContact CB-O 3.34Å; D383-G393 PolarHBondContact N-O 3.36Å; D383-G393 PolarHBondContact O-N 3.27Å; G393-Q402 CarbonylContact C-O 3.56Å; G393-Q402 WeakPolarHBondContact CA-O 2.85Å
394S98.2Very high95.3Very high0 Ų021.7 Ų21.70%010%0.102CC..EExtended strand (participates in β ladder)trans-140.1142-177.952.90000110.8H375 M401 Q402 W404H375-S394 WeakPolarHBondContact NE2-CB 3.3Å; H375-S394 PolarHBondContact NE2-OG 3.24Å; S394-M401 CarbonylContact O-C 3.58Å; S394-M401 WeakPolarHBondContact O-CA 3.3Å; S394-Q402 PolarHBondContact N-O 3.15Å; S394-Q402 PolarHBondContact O-N 2.91Å; S394-Q402 PolarHBondContact OG-O 3.3Å; S394-W404 PolarHBondContact OG-NE1 3.48Å
395V98Very high95Very high0 Ų022.9 Ų22.90%011%0.108CC..EExtended strand (participates in β ladder)trans-126.7143.9-178.2-67.70000110.7S40 V43 S380 D381 M401S40-V395 VanDerWaalsContact O-CG2 3.24Å; S40-V395 WeakPolarHBondContact O-CG2 3.42Å; V43-V395 HydrophobicContact CB-CG1 4.03Å; V43-V395 HydrophobicContact CB-CG2 3.97Å; V43-V395 HydrophobicContact CG1-CG1 4.49Å; V43-V395 HydrophobicContact CG1-CG2 3.97Å; V43-V395 HydrophobicContact CG2-CG1 4.29Å; S380-V395 PolarHBondContact N-O 3.03Å; D381-V395 HydrophobicContact CB-CG2 4.17Å; D381-V395 WeakPolarHBondContact O-CG2 3.4Å; D381-V395 PolarHBondContact O-N 2.77Å; V395-M401 HydrophobicContact CG1-CB 4.1Å; V395-M401 HydrophobicContact CG1-CG 3.82Å; V395-M401 HydrophobicContact CG1-SD 4.44Å
396A97.4Very high94.5Very high1 Ų123 Ų231%0.00811%0.108CC..EExtended strand (participates in β ladder)trans-128.7164.5179.900000112.7H375 K378 D398 N399 I400H375-A396 HydrophobicContact CB-CB 4.31Å; H375-A396 VanDerWaalsContact ND1-CB 3.35Å; H375-A396 WeakPolarHBondContact ND1-CB 3.47Å; K378-A396 VanDerWaalsContact O-CA 3.28Å; K378-A396 WeakPolarHBondContact O-CA 3.39Å; K378-A396 WeakPolarHBondContact O-CB 3.34Å; A396-D398 WeakPolarHBondContact CB-OD1 3.27Å; A396-D398 PolarHBondContact O-N 2.92Å; A396-N399 PolarHBondContact O-N 2.99Å; A396-I400 PolarHBondContact N-O 3.39Å
397E95.1Very high93.6Very high101 Ų10121.1 Ų21.147%0.47210%0.096SC..THydrogen-bonded Turntrans-66.7-16.7-175.6-67.4-178169.100114.5A377 K378 N399A377-E397 HydrophobicContact CB-CB 4.3Å; K378-E397 HydrophobicContact CB-CG 4.29Å; K378-E397 WeakPolarHBondContact CD-OE1 3.42Å; K378-E397 PolarHBondContact O-N 3.14Å; K378-E397 VanDerWaalsContact O-N 3.07Å; E397-N399 VanDerWaalsContact C-N 3.26Å; E397-N399 PolarHBondContact O-N 2.68Å
398D94.6Very high92.5Very high51 Ų5120.4 Ų20.427%0.27310%0.099SC..THydrogen-bonded Turntrans-91.225.417859.5-2.8000113.4T376 A377 A396 I400T376-D398 PolarHBondContact OG1-OD2 3.02Å; A377-D398 HydrophobicContact CB-CB 3.66Å; A377-D398 WeakPolarHBondContact CB-OD2 3.47Å; A377-D398 PolarHBondContact N-OD2 3.18Å; A396-D398 WeakPolarHBondContact CB-OD1 3.27Å; A396-D398 PolarHBondContact O-N 2.92Å; D398-I400 PolarHBondContact O-N 3.09Å; D398-I400 WeakPolarHBondContact OD1-CB 3.4Å; D398-I400 WeakPolarHBondContact OD1-CG1 3.12Å
399N96Very high90.7Very high40 Ų4022.6 Ų22.621%0.21411%0.112CC..SBendtrans67.88.3-179.8-54.920.3000114.8L36 E37 P39 A396 E397L36-N399 WeakPolarHBondContact CB-O 3.43Å; L36-N399 PolarHBondContact N-O 3.09Å; L36-N399 WeakPolarHBondContact O-CB 3.5Å; L36-N399 PolarHBondContact O-ND2 3.21Å; E37-N399 PolarHBondContact O-ND2 3.32Å; E37-N399 VanDerWaalsContact O-ND2 3.1Å; P39-N399 WeakPolarHBondContact CD-OD1 3.32Å; A396-N399 PolarHBondContact O-N 2.99Å; E397-N399 VanDerWaalsContact C-N 3.26Å; E397-N399 PolarHBondContact O-N 2.68Å
400I96.4Very high88.6Confident22 Ų2227.5 Ų27.511%0.11314%0.141CC..EExtended strand (participates in β ladder)trans-86.2123.2-178.5-60.1-57.7000110.5T33 C35 A396 D398 Q402T33-I400 HydrophobicContact CG2-CG2 3.92Å; C35-I400 HydrophobicContact CB-CD1 4.42Å; A396-I400 PolarHBondContact N-O 3.39Å; D398-I400 PolarHBondContact O-N 3.09Å; D398-I400 WeakPolarHBondContact OD1-CB 3.4Å; D398-I400 WeakPolarHBondContact OD1-CG1 3.12Å; I400-Q402 HydrophobicContact CG2-CG 3.74Å
401M96.4Very high88.5Confident1 Ų128.6 Ų28.61%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-104.6133.4163.5-17518073.500109.3H34 L36 I58 L72 V105 S394 V395 I403H34-M401 HydrophobicContact CB-CE 4.05Å; H34-M401 PolarHBondContact N-O 2.87Å; H34-M401 PolarHBondContact O-N 3.34Å; L36-M401 HydrophobicContact CD1-CB 4.05Å; L36-M401 HydrophobicContact CG-CB 4.11Å; I58-M401 HydrophobicContact CG2-SD 4.45Å; L72-M401 HydrophobicContact CD1-CE 3.62Å; L72-M401 HydrophobicContact CD1-SD 3.73Å; V105-M401 HydrophobicContact CG1-CE 3.72Å; S394-M401 CarbonylContact O-C 3.58Å; S394-M401 WeakPolarHBondContact O-CA 3.3Å; V395-M401 HydrophobicContact CG1-CB 4.1Å; V395-M401 HydrophobicContact CG1-CG 3.82Å; V395-M401 HydrophobicContact CG1-SD 4.44Å; M401-I403 HydrophobicContact CE-CD1 4.04Å; M401-I403 HydrophobicContact CE-CG1 4.43Å
402Q95.6Very high88.2Confident1 Ų129.9 Ų29.91%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-123.5132.4173.8-57.9-170.4100110.6I32 T33 H372 G374 G393 S394 I400I32-Q402 VanDerWaalsContact O-CA 3.3Å; I32-Q402 WeakPolarHBondContact O-CA 3.18Å; T33-Q402 HydrophobicContact CG2-CG 4.34Å; H372-Q402 PolarHBondContact CE1-OE1 2.9Å; H372-Q402 PolarHBondContact NE2-OE1 2.95Å; G374-Q402 PolarHBondContact O-NE2 2.84Å; G393-Q402 CarbonylContact C-O 3.56Å; G393-Q402 WeakPolarHBondContact CA-O 2.85Å; S394-Q402 PolarHBondContact N-O 3.15Å; S394-Q402 PolarHBondContact O-N 2.91Å; S394-Q402 PolarHBondContact OG-O 3.3Å; I400-Q402 HydrophobicContact CG2-CG 3.74Å
403I95.1Very high87.7Confident1 Ų131.6 Ų31.61%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-115.9118.5170.8-58.2170000106.7M30 L31 I32 W45 M56 V74 L76 V105 I392 M401M30-I403 HydrophobicContact CE-CG2 3.73Å; L31-I403 CarbonylContact C-O 3.58Å; I32-I403 HydrophobicContact CB-CB 4.23Å; I32-I403 HydrophobicContact CD1-CB 4.42Å; I32-I403 HydrophobicContact CD1-CG2 4.47Å; I32-I403 PolarHBondContact N-O 3.32Å; I32-I403 PolarHBondContact O-N 3.3Å; W45-I403 HydrophobicContact CH2-CD1 4.06Å; W45-I403 HydrophobicContact CH2-CG1 4.33Å; W45-I403 HydrophobicContact CH2-CG2 3.81Å; W45-I403 HydrophobicContact CZ2-CD1 4.5Å; W45-I403 HydrophobicContact CZ2-CG1 4.3Å; W45-I403 HydrophobicContact CZ2-CG2 3.79Å; M56-I403 HydrophobicContact SD-CD1 3.7Å; M56-I403 HydrophobicContact SD-CG1 4.07Å; V74-I403 HydrophobicContact CB-CD1 4.22Å; V74-I403 HydrophobicContact CG1-CD1 3.51Å; V74-I403 HydrophobicContact CG2-CD1 3.64Å; L76-I403 HydrophobicContact CD2-CG2 4.37Å; V105-I403 HydrophobicContact CG2-CD1 4.5Å; I392-I403 WeakPolarHBondContact O-CA 3.48Å; M401-I403 HydrophobicContact CE-CD1 4.04Å; M401-I403 HydrophobicContact CE-CG1 4.43Å
404W93.4Very high87.1Confident0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-149.8154.9-168.754.7-89.7000111.7Y28 M30 L31 L328 F330 F370 H372 M391 I392 S394 M406Y28-W404 HydrophobicContact CD1-CB 4.22Å; Y28-W404 AromaticContact CD1-CE3 3.88Å; Y28-W404 HydrophobicContact CD1-CE3 3.88Å; Y28-W404 HydrophobicContact CE1-CB 4.48Å; Y28-W404 HydrophobicContact CE1-CD2 4.12Å; Y28-W404 AromaticContact CE1-CE3 3.58Å; Y28-W404 HydrophobicContact CE1-CE3 3.58Å; Y28-W404 HydrophobicContact CE1-CZ3 4.01Å; M30-W404 CarbonylContact O-C 3.51Å; M30-W404 WeakPolarHBondContact O-CA 3.18Å; M30-W404 WeakPolarHBondContact O-CB 3.35Å; L31-W404 HydrophobicContact CD1-CB 3.73Å; L31-W404 HydrophobicContact CD1-CG 4.46Å; L328-W404 HydrophobicContact CB-CZ2 4.42Å; L328-W404 HydrophobicContact CD1-CZ2 3.94Å; F330-W404 HydrophobicContact CE1-CH2 4.31Å; F330-W404 AromaticContact CE2-CH2 3.45Å; F330-W404 HydrophobicContact CE2-CH2 3.45Å; F330-W404 VanDerWaalsContact CE2-CH2 3.45Å; F330-W404 HydrophobicContact CE2-CZ2 4.33Å; F330-W404 HydrophobicContact CE2-CZ3 4.28Å; F330-W404 AromaticContact CZ-CH2 3.25Å; F330-W404 HydrophobicContact CZ-CH2 3.25Å; F330-W404 HydrophobicContact CZ-CZ2 4.03Å; F330-W404 HydrophobicContact CZ-CZ3 4.04Å; F370-W404 AromaticContact CE1-CH2 3.85Å; F370-W404 HydrophobicContact CE1-CH2 3.85Å; F370-W404 AromaticContact CE1-CZ3 3.54Å; F370-W404 HydrophobicContact CE1-CZ3 3.54Å; F370-W404 HydrophobicContact CZ-CE3 4.28Å; F370-W404 HydrophobicContact CZ-CH2 4.2Å; F370-W404 AromaticContact CZ-CZ3 3.54Å; F370-W404 HydrophobicContact CZ-CZ3 3.54Å; H372-W404 HydrophobicContact CB-CH2 3.4Å; H372-W404 VanDerWaalsContact CB-CH2 3.4Å; H372-W404 HydrophobicContact CB-CZ2 3.51Å; H372-W404 HydrophobicContact CB-CZ3 4.2Å; H372-W404 AromaticContact CD2-CZ2 3.76Å; H372-W404 AromaticContact CE1-CD1 3.75Å; H372-W404 AromaticContact CE1-CE2 3.64Å; H372-W404 AromaticContact CE1-NE1 3.48Å; H372-W404 PolarHBondContact CE1-NE1 2.83Å; H372-W404 AromaticContact CG-CE2 3.65Å; H372-W404 AromaticContact CG-CH2 3.68Å; H372-W404 AromaticContact CG-CZ2 3.29Å; H372-W404 AromaticContact ND1-CD2 3.69Å; H372-W404 AromaticContact ND1-CE2 3.41Å; H372-W404 AromaticContact ND1-CH2 3.93Å; H372-W404 AromaticContact ND1-CZ2 3.55Å; H372-W404 AromaticContact ND1-NE1 3.76Å; H372-W404 AromaticContact NE2-NE1 3.71Å; M391-W404 CarbonylContact C-O 3.51Å; M391-W404 WeakPolarHBondContact CA-O 3.42Å; I392-W404 HydrophobicContact CB-CD2 4.37Å; I392-W404 HydrophobicContact CB-CZ2 4.13Å; I392-W404 HydrophobicContact CD1-CH2 4.05Å; I392-W404 HydrophobicContact CD1-CZ2 4.21Å; I392-W404 HydrophobicContact CG2-CZ2 3.96Å; I392-W404 PolarHBondContact N-O 2.69Å; I392-W404 PolarHBondContact O-N 3.46Å; S394-W404 PolarHBondContact OG-NE1 3.48Å; W404-M406 HydrophobicContact CZ3-CE 4.18Å
405Q90.9Very high86.4Confident29 Ų2935.5 Ų35.514%0.13618%0.183CC..EExtended strand (participates in β ladder)trans-133.9120.9-180-174.4170.425.300108Y28 D29 M30 R389 F390 M391Y28-Q405 CarbonylContact C-O 3.49Å; Y28-Q405 VanDerWaalsContact CA-O 3.26Å; Y28-Q405 WeakPolarHBondContact CA-O 3.5Å; Y28-Q405 WeakPolarHBondContact CB-O 3.43Å; D29-Q405 PolarHBondContact N-O 2.83Å; M30-Q405 HydrophobicContact CB-CB 3.96Å; M30-Q405 PolarHBondContact N-O 3.38Å; M30-Q405 PolarHBondContact O-N 2.82Å; R389-Q405 PolarHBondContact O-NE2 2.62Å; F390-Q405 WeakPolarHBondContact O-CA 2.84Å; M391-Q405 HydrophobicContact CB-CB 4.21Å; M391-Q405 HydrophobicContact CB-CG 4.24Å; M391-Q405 HydrophobicContact CE-CB 4.36Å
406M86.8Confident85.6Confident2 Ų237.9 Ų37.91%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-67.3155.1174.179.7-160.659.100109.6F330 L353 F370 W384 F390 W404 D408F330-M406 HydrophobicContact CD1-CE 3.56Å; F330-M406 HydrophobicContact CD2-CE 4.49Å; F330-M406 HydrophobicContact CE1-CE 3.5Å; F330-M406 VanDerWaalsContact CE1-CE 3.5Å; F330-M406 HydrophobicContact CE2-CE 4.5Å; F330-M406 HydrophobicContact CG-CE 4.09Å; F330-M406 HydrophobicContact CZ-CE 4.05Å; L353-M406 HydrophobicContact CD2-SD 4.16Å; F370-M406 HydrophobicContact CD1-CB 4.44Å; F370-M406 HydrophobicContact CD1-CE 4.3Å; F370-M406 HydrophobicContact CD1-SD 4.39Å; F370-M406 HydrophobicContact CD2-CB 4.3Å; F370-M406 HydrophobicContact CE1-CB 3.88Å; F370-M406 HydrophobicContact CE1-CE 3.92Å; F370-M406 HydrophobicContact CE1-SD 4.4Å; F370-M406 HydrophobicContact CE2-CB 3.68Å; F370-M406 HydrophobicContact CZ-CB 3.43Å; F370-M406 VanDerWaalsContact CZ-CB 3.43Å; W384-M406 HydrophobicContact CZ3-CE 4.5Å; F390-M406 HydrophobicContact CB-CE 3.99Å; F390-M406 HydrophobicContact CB-CG 3.69Å; F390-M406 HydrophobicContact CB-SD 3.92Å; F390-M406 HydrophobicContact CD1-CE 3.99Å; F390-M406 HydrophobicContact CD1-SD 3.74Å; F390-M406 HydrophobicContact CD2-CG 4.14Å; F390-M406 HydrophobicContact CD2-SD 4.16Å; F390-M406 HydrophobicContact CE1-SD 4.24Å; F390-M406 HydrophobicContact CG-CE 4.2Å; F390-M406 HydrophobicContact CG-CG 3.93Å; F390-M406 HydrophobicContact CG-SD 3.71Å; F390-M406 PolarHBondContact O-N 3.42Å; W404-M406 HydrophobicContact CZ3-CE 4.18Å; M406-D408 PolarHBondContact O-N 2.03Å
407V77.4Confident84.8Confident6 Ų640.5 Ų40.54%0.03621%0.208CC..  trans-62.8126.9174.1-176.80000110M27 Q358 L409M27-V407 PolarHBondContact O-N 2.86Å; M27-V407 VanDerWaalsContact O-N 3.16Å; Q358-V407 HydrophobicContact CG-CB 4.43Å; Q358-V407 HydrophobicContact CG-CG1 3.63Å; Q358-V407 HydrophobicContact CG-CG2 4.06Å; Q358-V407 VanDerWaalsContact NE2-CG2 3.34Å; V407-L409 HydrophobicContact CB-CD1 4.07Å; V407-L409 HydrophobicContact CG1-CD1 3.7Å; V407-L409 HydrophobicContact CG1-CD2 4.32Å; V407-L409 HydrophobicContact CG1-CG 3.78Å; V407-L409 PolarHBondContact O-N 3.21Å
408D67.5Low84Confident75 Ų7535.8 Ų35.840%0.40119%0.188SC..  trans-78.4113.9175-162.9-4.4000111.1R389 F390 M406 L410R389-D408 IonicContact CZ-OD1 3.89Å; R389-D408 IonicContact NH1-OD1 2.69Å; R389-D408 PolarHBondContact NH1-OD1 2.78Å; R389-D408 IonicContact NH1-OD2 2.83Å; R389-D408 PolarHBondContact NH1-OD2 2.96Å; F390-D408 HydrophobicContact CD2-CB 4.47Å; M406-D408 PolarHBondContact O-N 2.03Å; D408-L410 PolarHBondContact OD1-N 2.85Å
409L54.6Low83.1Confident77 Ų7734.6 Ų34.640%0.40318%0.181SC..  trans-129.316.1-177.5-70.9153.4000113.3I355 A356 V407I355-L409 HydrophobicContact CB-CD1 4.05Å; A356-L409 HydrophobicContact CB-CB 4.42Å; A356-L409 HydrophobicContact CB-CD1 3.9Å; A356-L409 HydrophobicContact CB-CD2 4.23Å; A356-L409 HydrophobicContact CB-CG 4.4Å; A356-L409 WeakPolarHBondContact O-CD1 3.06Å; V407-L409 HydrophobicContact CB-CD1 4.07Å; V407-L409 HydrophobicContact CG1-CD1 3.7Å; V407-L409 HydrophobicContact CG1-CD2 4.32Å; V407-L409 HydrophobicContact CG1-CG 3.78Å; V407-L409 PolarHBondContact O-N 3.21Å
410L47.4Very low82Confident161 Ų16134.1 Ų34.184%0.84318%0.178SC*.  trans-88.60171.6-75.3171.8000112.4R389 F390 D408R389-L410 VanDerWaalsContact NH2-CD1 3.3Å; F390-L410 HydrophobicContact CE2-CD1 4.35Å; F390-L410 HydrophobicContact CZ-CD1 4Å; D408-L410 PolarHBondContact OD1-N 2.85Å

Retrieved 410 of 410 residues in 964.1 ms (Link to these results)

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