A0A087YEY9_POEFO Loading...

Periodic tryptophan protein 1 homolog

Chromatin-associated factor that regulates transcription. Regulates Pol I-mediated rRNA biogenesis and, probably, Pol III-mediated transcription. Regulates the epigenetic status of rDNA.

AlphaFold DB , UniProt , Accession A0A087YEY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M51Low86.6Confident183 Ų18334.6 Ų34.690%0.90119%0.193SC*.  0135.60-73.5177.3-105.400106.6S3 K153M1-S3 PolarHBondContact O-N 3.14Å; M1-K153 PolarHBondContact SD-NZ 2.78Å
2S67.9Low86.9Confident69 Ų6939.6 Ų39.648%0.48321%0.211SC..  trans-82101.5-175.267.80000109.8
3S82Confident87.1Confident19 Ų1941.3 Ų41.313%0.13321%0.212CC..  trans-78126.7161.31620000108.3M1 K150M1-S3 PolarHBondContact O-N 3.14Å; S3-K150 WeakPolarHBondContact OG-CD 3.28Å; S3-K150 WeakPolarHBondContact OG-CE 3.24Å; S3-K150 WeakPolarHBondContact OG-CG 3.43Å
4Q91.4Very high86.8Confident44 Ų4442.5 Ų42.521%0.20624%0.24CC..EExtended strand (participates in β ladder)trans-108.2139.6179.6-56.9-174.5-4.500109.3K150 T151 F431 G447 Q448Q4-K150 WeakPolarHBondContact O-CA 3.29Å; Q4-T151 PolarHBondContact N-O 3.25Å; Q4-T151 VanDerWaalsContact N-O 3.09Å; Q4-T151 PolarHBondContact O-N 3.47Å; Q4-F431 HydrophobicContact CB-CE2 4.42Å; Q4-G447 WeakPolarHBondContact CA-O 3.37Å; Q4-Q448 HydrophobicContact CG-CG 4.29Å; Q4-Q448 WeakPolarHBondContact CG-O 3.31Å
5I94.1Very high86.7Confident0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-108.5117.6171.1-59.7-58.8000108.9V8 A148 G149 K150 F431 G446 G447 G451 L452I5-V8 HydrophobicContact CG2-CG2 3.55Å; I5-A148 HydrophobicContact CD1-CB 4.24Å; I5-A148 HydrophobicContact CG2-CB 4.19Å; I5-G149 CarbonylContact C-O 3.52Å; I5-G149 WeakPolarHBondContact CA-O 3.3Å; I5-K150 HydrophobicContact CD1-CB 3.49Å; I5-K150 VanDerWaalsContact CD1-CB 3.49Å; I5-K150 HydrophobicContact CD1-CD 4.34Å; I5-K150 HydrophobicContact CD1-CG 3.91Å; I5-F431 WeakPolarHBondContact O-CD2 3.39Å; I5-G446 CarbonylContact O-C 3.57Å; I5-G447 PolarHBondContact N-O 2.96Å; I5-G451 WeakPolarHBondContact CG1-O 3.48Å; I5-L452 HydrophobicContact CG1-CB 4.07Å
6T93Very high86.6Confident15 Ų1539.4 Ų39.49%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-91.7-37.2-169.166.40000111.5G149 Y181 P182T6-G149 PolarHBondContact N-O 2.86Å; T6-G149 PolarHBondContact OG1-O 2.96Å; T6-Y181 HydrophobicContact CG2-CD1 4.42Å; T6-Y181 HydrophobicContact CG2-CE1 3.51Å; T6-Y181 HydrophobicContact CG2-CE2 4.06Å; T6-Y181 WeakPolarHBondContact CG2-OH 3.43Å; T6-P182 VanDerWaalsContact CB-O 3.28Å; T6-P182 WeakPolarHBondContact CB-O 3.31Å; T6-P182 PolarHBondContact OG1-O 2.93Å
7C93.9Very high86.4Confident8 Ų841.8 Ų41.85%0.05423%0.233CC..EExtended strand (participates in β ladder)trans-146.6150.1-177.754.40000110.7G149 L183 V185 C432C7-G149 PolarHBondContact O-N 3.32Å; C7-L183 WeakPolarHBondContact CB-O 3.26Å; C7-V185 HydrophobicContact CB-CG2 4.35Å; C7-C432 VanDerWaalsContact CA-SG 3.59Å
8V96.3Very high86.3Confident15 Ų1545.3 Ų45.39%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-138.1135.6-179175.10000110.2I5 I146 L147 C432 A444 L452I5-V8 HydrophobicContact CG2-CG2 3.55Å; V8-I146 HydrophobicContact CG1-CG2 3.79Å; V8-L147 CarbonylContact C-O 3.56Å; V8-L147 VanDerWaalsContact CA-O 3.24Å; V8-L147 WeakPolarHBondContact CA-O 3.47Å; V8-C432 VanDerWaalsContact CG2-SG 3.58Å; V8-A444 HydrophobicContact CG1-CB 3.71Å; V8-L452 HydrophobicContact CG1-CD1 4.37Å; V8-L452 HydrophobicContact CG2-CD1 3.69Å
9G94.5Very high86.1Confident8 Ų847 Ų478%0.08226%0.26CS..EExtended strand (participates in β ladder)trans-130.9160.8173.600000111.6I146 L147G9-I146 WeakPolarHBondContact O-CA 3.14Å; G9-L147 PolarHBondContact N-O 3.29Å; G9-L147 PolarHBondContact O-N 2.78Å
10W95.4Very high86Confident20 Ų2045.2 Ų45.28%0.07625%0.25CS..EExtended strand (participates in β ladder)trans-120.8143.1175.7-73.593.4000110.8N144 I146 Y163 S434 C435 C436 P437 V442 A444W10-N144 HydrophobicContact CE3-CB 3.98Å; W10-N144 HydrophobicContact CZ3-CB 3.76Å; W10-I146 HydrophobicContact CD2-CG1 3.9Å; W10-I146 HydrophobicContact CE3-CD1 4.28Å; W10-I146 HydrophobicContact CE3-CG1 3.44Å; W10-I146 VanDerWaalsContact CE3-CG1 3.44Å; W10-I146 HydrophobicContact CH2-CD1 3.39Å; W10-I146 HydrophobicContact CH2-CG1 3.52Å; W10-I146 HydrophobicContact CZ2-CD1 3.94Å; W10-I146 HydrophobicContact CZ2-CG1 3.96Å; W10-I146 HydrophobicContact CZ3-CD1 3.59Å; W10-I146 HydrophobicContact CZ3-CG1 3.23Å; W10-Y163 AromaticContact CH2-CD1 4Å; W10-Y163 HydrophobicContact CH2-CD1 4Å; W10-Y163 HydrophobicContact CH2-CG 4.42Å; W10-Y163 HydrophobicContact CZ3-CD1 4.01Å; W10-Y163 HydrophobicContact CZ3-CG 4.48Å; W10-S434 PolarHBondContact NE1-O 3.28Å; W10-C435 VanDerWaalsContact CD1-O 3.24Å; W10-C436 HydrophobicContact CD2-CB 4.15Å; W10-C436 HydrophobicContact CE3-CB 4.18Å; W10-C436 HydrophobicContact CH2-CB 3.99Å; W10-C436 HydrophobicContact CZ2-CB 3.94Å; W10-C436 HydrophobicContact CZ3-CB 4.11Å; W10-P437 VanDerWaalsContact CB-CD 3.46Å; W10-P437 HydrophobicContact CB-CG 4.11Å; W10-V442 HydrophobicContact CH2-CG1 3.97Å; W10-V442 HydrophobicContact CZ2-CG1 4.23Å; W10-A444 HydrophobicContact CZ2-CB 3.58Å
11V93.2Very high85.8Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-106.9138.9166.2-170.40000108.9V15 N144 L145 L147 W187 L216V11-V15 HydrophobicContact CG1-CB 4.03Å; V11-V15 HydrophobicContact CG1-CG1 4.09Å; V11-N144 PolarHBondContact O-ND2 2.82Å; V11-L145 HydrophobicContact CB-CB 3.86Å; V11-L145 HydrophobicContact CB-CD1 4.42Å; V11-L145 HydrophobicContact CB-CG 4.42Å; V11-L145 HydrophobicContact CG2-CB 3.94Å; V11-L145 HydrophobicContact CG2-CD1 4.43Å; V11-L145 PolarHBondContact N-O 2.97Å; V11-L147 HydrophobicContact CG2-CD1 4.04Å; V11-L147 HydrophobicContact CG2-CD2 4.31Å; V11-L147 HydrophobicContact CG2-CG 4.15Å; V11-W187 HydrophobicContact CG1-CD2 4.41Å; V11-W187 HydrophobicContact CG1-CG 4.38Å; V11-W187 HydrophobicContact CG2-CB 4.46Å; V11-W187 HydrophobicContact CG2-CG 4.05Å; V11-L216 HydrophobicContact CG2-CD1 3.88Å
12K89.9Confident87.1Confident94 Ų9444.5 Ų44.541%0.40924%0.243SC..  trans-69.8151.5178.5-73.2-177175.6-1740111.5V15 P437 D438K12-V15 HydrophobicContact CB-CG2 4.04Å; K12-V15 WeakPolarHBondContact O-CG2 2.98Å; K12-P437 HydrophobicContact CD-CB 4.4Å; K12-P437 HydrophobicContact CG-CB 3.76Å; K12-P437 HydrophobicContact CG-CG 3.6Å; K12-D438 WeakPolarHBondContact CA-OD2 3.39Å
13R89.7Confident87.6Confident62 Ų6243.9 Ų43.923%0.23424%0.237CC..THydrogen-bonded Turntrans-54.2142.2173.4-68.3178.9-173.5-152.3-11.2112.2V15 P141 T142 N144 S165 D438R13-V15 PolarHBondContact O-N 3.39Å; R13-P141 WeakPolarHBondContact CB-O 3.36Å; R13-T142 WeakPolarHBondContact CD-O 3.38Å; R13-T142 PolarHBondContact NE-O 2.78Å; R13-T142 VanDerWaalsContact NE-O 3.07Å; R13-T142 PolarHBondContact NH1-O 3.32Å; R13-N144 PolarHBondContact NE-OD1 3.28Å; R13-N144 PolarHBondContact NH2-OD1 3.15Å; R13-N144 VanDerWaalsContact NH2-OD1 3.14Å; R13-S165 PolarHBondContact NH2-OG 3.45Å; R13-D438 HydrophobicContact CG-CB 4.37Å; R13-D438 PolarHBondContact N-OD2 3.28Å
14G83Confident87.1Confident58 Ų5850.9 Ų50.960%0.59827%0.267SS*.THydrogen-bonded Turntrans67.116.9173.700000115.5P141G14-P141 PolarHBondContact N-O 3.11Å
15V85.4Confident86.2Confident14 Ų1452 Ų529%0.08528%0.275CS..  trans-88.8-46.1171.2171.40000110.9V11 K12 R13 W187 N200V11-V15 HydrophobicContact CG1-CB 4.03Å; V11-V15 HydrophobicContact CG1-CG1 4.09Å; K12-V15 HydrophobicContact CB-CG2 4.04Å; K12-V15 WeakPolarHBondContact O-CG2 2.98Å; R13-V15 PolarHBondContact O-N 3.39Å; V15-W187 HydrophobicContact CB-CZ2 4.36Å; V15-W187 HydrophobicContact CG1-CH2 4.49Å; V15-W187 HydrophobicContact CG1-CZ2 3.49Å; V15-W187 VanDerWaalsContact CG1-CZ2 3.49Å; V15-W187 HydrophobicContact CG2-CH2 4.36Å; V15-W187 HydrophobicContact CG2-CZ2 4.07Å; V15-N200 HydrophobicContact CG1-CB 4.22Å
16A85Confident85.3Confident22 Ų2254.5 Ų54.518%0.18229%0.292CS..SBendtrans-65.5149.2-175.400000111.8I139 L145 N200 D217A16-I139 HydrophobicContact CB-CD1 4.19Å; A16-I139 HydrophobicContact CB-CG2 4.26Å; A16-L145 HydrophobicContact CB-CD1 3.63Å; A16-L145 HydrophobicContact CB-CG 4.42Å; A16-N200 WeakPolarHBondContact CA-ND2 2.96Å; A16-D217 WeakPolarHBondContact CA-OD1 3.34Å
17K83.7Confident84.5Confident79 Ų7961.6 Ų61.634%0.34332%0.324SS..  trans-64134.2171.5-166.6179.6-175.9-173.60109.4T19 D21 D217K17-T19 VanDerWaalsContact C-N 3.25Å; K17-T19 VanDerWaalsContact CD-O 3.3Å; K17-T19 WeakPolarHBondContact CD-O 3.08Å; K17-T19 WeakPolarHBondContact CE-O 3.3Å; K17-T19 WeakPolarHBondContact CG-O 3.23Å; K17-T19 PolarHBondContact O-N 2.79Å; K17-D21 IonicContact NZ-OD1 2.99Å; K17-D21 PolarHBondContact NZ-OD1 2.91Å; K17-D21 IonicContact NZ-OD2 3.29Å; K17-D21 PolarHBondContact NZ-OD2 3.43Å; K17-D217 HydrophobicContact CB-CB 3.82Å; K17-D217 VanDerWaalsContact CB-CG 3.47Å; K17-D217 HydrophobicContact CD-CB 4.44Å; K17-D217 PolarHBondContact N-OD1 2.88Å
18E84.1Confident83.7Confident106 Ų10668.5 Ų68.550%0.49536%0.356SS..SBendtrans-59.2-37.5-177.4-178.9173.9-169.900112.4Q138 I139E18-Q138 HydrophobicContact CG-CG 3.66Å; E18-Q138 WeakPolarHBondContact O-CA 3.42Å; E18-Q138 PolarHBondContact OE1-NE2 2.69Å; E18-I139 PolarHBondContact O-N 2.99Å
19T82.9Confident82.8Confident77 Ų7772.3 Ų72.347%0.47237%0.372SS..SBendtrans-125.7104.5172.755.40000108.8K17 Q138K17-T19 VanDerWaalsContact C-N 3.25Å; K17-T19 VanDerWaalsContact CD-O 3.3Å; K17-T19 WeakPolarHBondContact CD-O 3.08Å; K17-T19 WeakPolarHBondContact CE-O 3.3Å; K17-T19 WeakPolarHBondContact CG-O 3.23Å; K17-T19 PolarHBondContact O-N 2.79Å; T19-Q138 HydrophobicContact CG2-CG 4.43Å
20P83.2Confident81.9Confident10 Ų1075.7 Ų75.77%0.06539%0.388CS..PPolyproline II helixtrans-58.3145.6175.5-27.437.6000112.2F137 I139 D217 V219P20-F137 HydrophobicContact CB-CE1 4.04Å; P20-F137 HydrophobicContact CG-CE1 4.27Å; P20-I139 HydrophobicContact CG-CD1 3.68Å; P20-I139 HydrophobicContact CG-CG1 4.3Å; P20-D217 CarbonylContact C-O 3.59Å; P20-D217 WeakPolarHBondContact CA-O 3.43Å; P20-D217 WeakPolarHBondContact CB-O 3.17Å; P20-V219 HydrophobicContact CB-CG2 3.66Å; P20-V219 HydrophobicContact CG-CG2 4.44Å
21D82.4Confident81Confident83 Ų8380.7 Ų80.744%0.44441%0.412SS..EExtended strand (participates in β ladder)trans-76.2129.8176.4-66.2-39.9000109.6K17 D217 V218 V219K17-D21 IonicContact NZ-OD1 2.99Å; K17-D21 PolarHBondContact NZ-OD1 2.91Å; K17-D21 IonicContact NZ-OD2 3.29Å; K17-D21 PolarHBondContact NZ-OD2 3.43Å; D21-D217 PolarHBondContact N-O 2.7Å; D21-V218 CarbonylContact O-C 3.39Å; D21-V218 WeakPolarHBondContact O-CA 3.43Å; D21-V219 PolarHBondContact O-N 3.28Å
22K78.6Confident80.4Confident131 Ų13189 Ų8957%0.5744%0.444SS*.EExtended strand (participates in β ladder)trans-94.3125.9176.8-166.9174.3-175.4177.10110E24 D220K22-E24 PolarHBondContact O-N 2.9Å; K22-D220 WeakPolarHBondContact CE-OD2 3.3Å
23V77.4Confident79.9Confident57 Ų5787.1 Ų87.135%0.34544%0.438SS..  trans-80.5110.5175.6-176.60000109.2L25 V218 V219V23-L25 HydrophobicContact CG1-CD2 4.15Å; V23-L25 HydrophobicContact CG1-CG 4.29Å; V23-V218 HydrophobicContact CG2-CG1 3.33Å; V23-V219 PolarHBondContact N-O 2.94Å; V23-V219 VanDerWaalsContact N-O 3.14Å
24E71.8Confident79.5Confident165 Ų16588.9 Ų88.977%0.77145%0.451SS*.  trans-100109.8169.6-67-172.8170.400109.5K22K22-E24 PolarHBondContact O-N 2.9Å
25L71.7Confident79.3Confident69 Ų6989.9 Ų89.936%0.36145%0.445SS..  trans-79.3132.4179.3-65.5164.8000110.5V23 E29 L30 I33 L222V23-L25 HydrophobicContact CG1-CD2 4.15Å; V23-L25 HydrophobicContact CG1-CG 4.29Å; L25-E29 HydrophobicContact CD2-CB 4.31Å; L25-L30 HydrophobicContact CD1-CD1 4.35Å; L25-I33 HydrophobicContact CD1-CD1 4.22Å; L25-I33 HydrophobicContact CD2-CD1 4.12Å; L25-L222 HydrophobicContact CD1-CD1 3.41Å; L25-L222 VanDerWaalsContact CD1-CD1 3.41Å; L25-L222 HydrophobicContact CD1-CG 4.28Å
26S77.2Confident79.1Confident51 Ų5194.1 Ų94.136%0.35746%0.464SS..  trans-68.7157168.666.60000111E28 E29 L30S26-E28 PolarHBondContact O-N 3.21Å; S26-E28 VanDerWaalsContact O-N 3.16Å; S26-E29 WeakPolarHBondContact CB-OE2 3.08Å; S26-E29 PolarHBondContact N-OE2 3.19Å; S26-E29 PolarHBondContact O-N 3.12Å; S26-E29 VanDerWaalsContact O-N 3.15Å; S26-E29 VanDerWaalsContact OG-CG 3.29Å; S26-E29 WeakPolarHBondContact OG-CG 3.5Å; S26-E29 PolarHBondContact OG-N 3.32Å; S26-E29 PolarHBondContact OG-OE2 3.23Å; S26-L30 PolarHBondContact O-N 3.07Å
27Q74.8Confident78.7Confident165 Ų16595.2 Ų95.277%0.77147%0.473SS*.Hα-helixtrans-56.1-33.1176.6-76.6-174.7-11.300112.7Q31Q27-Q31 WeakPolarHBondContact O-CB 3.38Å; Q27-Q31 VanDerWaalsContact O-CG 3.27Å; Q27-Q31 WeakPolarHBondContact O-CG 3.12Å; Q27-Q31 PolarHBondContact O-N 3.11Å
28E76.8Confident78.3Confident153 Ų15398.8 Ų98.872%0.71548%0.484SS*.Hα-helixtrans-72.1-39.4179.3-62.8-176.4-179.400112.4S26 R32S26-E28 PolarHBondContact O-N 3.21Å; S26-E28 VanDerWaalsContact O-N 3.16Å; E28-R32 PolarHBondContact O-N 3.49Å; E28-R32 VanDerWaalsContact O-N 3.08Å
29E77.3Confident77.9Confident94 Ų94100.9 Ų100.944%0.43949%0.494SS..Hα-helixtrans-68.9-43.4175.9-72.1161.8149.200110.9L25 S26 Q31 R32 I33L25-E29 HydrophobicContact CD2-CB 4.31Å; S26-E29 WeakPolarHBondContact CB-OE2 3.08Å; S26-E29 PolarHBondContact N-OE2 3.19Å; S26-E29 PolarHBondContact O-N 3.12Å; S26-E29 VanDerWaalsContact O-N 3.15Å; S26-E29 VanDerWaalsContact OG-CG 3.29Å; S26-E29 WeakPolarHBondContact OG-CG 3.5Å; S26-E29 PolarHBondContact OG-N 3.32Å; S26-E29 PolarHBondContact OG-OE2 3.23Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.41Å; E29-R32 WeakPolarHBondContact O-CB 3.25Å; E29-R32 PolarHBondContact O-N 3.31Å; E29-R32 VanDerWaalsContact O-N 3.13Å; E29-I33 WeakPolarHBondContact O-CG1 3.22Å; E29-I33 PolarHBondContact O-N 3.02Å
30L77.4Confident77.2Confident80 Ų80103.5 Ų103.542%0.41951%0.505SS..Hα-helixtrans-59.4-45175.5-172.968.8000111.2L25 S26 R32 I33 I34L25-L30 HydrophobicContact CD1-CD1 4.35Å; S26-L30 PolarHBondContact O-N 3.07Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.18Å; L30-I33 PolarHBondContact O-N 3.43Å; L30-I34 HydrophobicContact CD1-CD1 4.43Å; L30-I34 HydrophobicContact CD2-CD1 4.46Å; L30-I34 HydrophobicContact CG-CD1 3.89Å; L30-I34 WeakPolarHBondContact O-CB 3.49Å; L30-I34 WeakPolarHBondContact O-CD1 3.21Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 3.48Å
31Q74.8Confident76.6Confident125 Ų125109.5 Ų109.558%0.58454%0.536SS*.Hα-helixtrans-61-38.7175.5-80.6179.9-0.900112.6Q27 E29 T35Q27-Q31 WeakPolarHBondContact O-CB 3.38Å; Q27-Q31 VanDerWaalsContact O-CG 3.27Å; Q27-Q31 WeakPolarHBondContact O-CG 3.12Å; Q27-Q31 PolarHBondContact O-N 3.11Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.41Å; Q31-T35 WeakPolarHBondContact O-CB 3.37Å; Q31-T35 PolarHBondContact O-N 3.09Å; Q31-T35 PolarHBondContact O-OG1 2.96Å
32R80.9Confident75.1Confident175 Ų175107.3 Ų107.366%0.6653%0.533SS*.Hα-helixtrans-63.8-48.6176.5-171.4-176.7-57.8-1745.7111.4E28 E29 L30 I34 T35 E36E28-R32 PolarHBondContact O-N 3.49Å; E28-R32 VanDerWaalsContact O-N 3.08Å; E29-R32 WeakPolarHBondContact O-CB 3.25Å; E29-R32 PolarHBondContact O-N 3.31Å; E29-R32 VanDerWaalsContact O-N 3.13Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 3.18Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I34 PolarHBondContact O-N 3.11Å; R32-T35 WeakPolarHBondContact O-CB 3.2Å; R32-T35 PolarHBondContact O-N 3.23Å; R32-T35 VanDerWaalsContact O-N 3.13Å; R32-E36 PolarHBondContact O-N 3.24Å
33I78.9Confident73.7Confident54 Ų54105.8 Ų105.828%0.27753%0.531SS..Hα-helixtrans-61.6-43.6179.5-65.4167.2000110.5L25 E29 L30 T35 E36 A37 L222L25-I33 HydrophobicContact CD1-CD1 4.22Å; L25-I33 HydrophobicContact CD2-CD1 4.12Å; E29-I33 WeakPolarHBondContact O-CG1 3.22Å; E29-I33 PolarHBondContact O-N 3.02Å; L30-I33 PolarHBondContact O-N 3.43Å; I33-T35 VanDerWaalsContact C-N 3.29Å; I33-T35 PolarHBondContact O-N 3.43Å; I33-E36 PolarHBondContact O-N 2.88Å; I33-A37 VanDerWaalsContact O-CB 3.26Å; I33-A37 WeakPolarHBondContact O-CB 3.31Å; I33-A37 PolarHBondContact O-N 2.93Å; I33-L222 HydrophobicContact CD1-CD1 3.93Å; I33-L222 HydrophobicContact CG2-CD1 4.41Å
34I81.6Confident72.2Confident99 Ų99109.7 Ų109.751%0.50856%0.555SS.*Hα-helixtrans-60.7-41.5175.9-69.2166.3000111L30 R32 R38L30-I34 HydrophobicContact CD1-CD1 4.43Å; L30-I34 HydrophobicContact CD2-CD1 4.46Å; L30-I34 HydrophobicContact CG-CD1 3.89Å; L30-I34 WeakPolarHBondContact O-CB 3.49Å; L30-I34 WeakPolarHBondContact O-CD1 3.21Å; L30-I34 WeakPolarHBondContact O-CG1 3.45Å; L30-I34 PolarHBondContact O-N 3.48Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I34 PolarHBondContact O-N 3.11Å; I34-R38 VanDerWaalsContact O-CB 3.3Å; I34-R38 WeakPolarHBondContact O-CB 3.49Å; I34-R38 PolarHBondContact O-N 3.11Å
35T79.3Confident70.9Confident79 Ų79104.9 Ų104.949%0.48554%0.543SS..Hα-helixtrans-65.5-46.9179.6-540000110.9Q31 R32 I33 R38 E39Q31-T35 WeakPolarHBondContact O-CB 3.37Å; Q31-T35 PolarHBondContact O-N 3.09Å; Q31-T35 PolarHBondContact O-OG1 2.96Å; R32-T35 WeakPolarHBondContact O-CB 3.2Å; R32-T35 PolarHBondContact O-N 3.23Å; R32-T35 VanDerWaalsContact O-N 3.13Å; I33-T35 VanDerWaalsContact C-N 3.29Å; I33-T35 PolarHBondContact O-N 3.43Å; T35-R38 WeakPolarHBondContact O-CB 3.49Å; T35-R38 PolarHBondContact O-N 3.06Å; T35-E39 WeakPolarHBondContact O-CG 3.3Å; T35-E39 PolarHBondContact O-N 3.01Å
36E80.4Confident69.5Low102 Ų102108.2 Ų108.248%0.47756%0.561SS.*Hα-helixtrans-63.4-45.1177.5-177.5167.9-168.200112R32 I33 R38 E39 D40R32-E36 PolarHBondContact O-N 3.24Å; I33-E36 PolarHBondContact O-N 2.88Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 2.7Å; E36-E39 PolarHBondContact O-N 2.97Å; E36-E39 VanDerWaalsContact O-N 3.13Å; E36-D40 PolarHBondContact O-N 3.23Å
37A77.5Confident67.8Low45 Ų45114.7 Ų114.737%0.37259%0.586SS.*Hα-helixtrans-60.4-38.4175.400000112I33 D40 L41I33-A37 VanDerWaalsContact O-CB 3.26Å; I33-A37 WeakPolarHBondContact O-CB 3.31Å; I33-A37 PolarHBondContact O-N 2.93Å; A37-D40 PolarHBondContact O-N 3.33Å; A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 WeakPolarHBondContact O-CD1 3.49Å; A37-L41 VanDerWaalsContact O-CG 3.3Å; A37-L41 WeakPolarHBondContact O-CG 3.39Å; A37-L41 PolarHBondContact O-N 3.05Å
38R76.1Confident65.9Low155 Ų155114.6 Ų114.659%0.58559%0.591SS**Hα-helixtrans-66-39.8175.1-176179171.7169.92111.9I34 T35 E36 G42 D43I34-R38 VanDerWaalsContact O-CB 3.3Å; I34-R38 WeakPolarHBondContact O-CB 3.49Å; I34-R38 PolarHBondContact O-N 3.11Å; T35-R38 WeakPolarHBondContact O-CB 3.49Å; T35-R38 PolarHBondContact O-N 3.06Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 2.7Å; R38-G42 PolarHBondContact O-N 2.95Å; R38-G42 VanDerWaalsContact O-N 3.17Å; R38-D43 IonicContact NE-OD1 2.78Å; R38-D43 PolarHBondContact NE-OD1 3.3Å; R38-D43 IonicContact NH2-OD1 3.49Å
39E75.3Confident63.9Low149 Ų149116.4 Ų116.470%0.69660%0.6SS**Hα-helixtrans-65.2-40.6175.9-73.2-177178.100112.1T35 E36 G42T35-E39 WeakPolarHBondContact O-CG 3.3Å; T35-E39 PolarHBondContact O-N 3.01Å; E36-E39 PolarHBondContact O-N 2.97Å; E36-E39 VanDerWaalsContact O-N 3.13Å; E39-G42 PolarHBondContact O-N 2.69Å
40D67.9Low61.8Low132 Ų132121 Ų12171%0.70662%0.621SS**Hα-helixtrans-70.8-38.7178.8-90.5-5.2000113.1E36 A37 G42E36-D40 PolarHBondContact O-N 3.23Å; A37-D40 PolarHBondContact O-N 3.33Å; D40-G42 PolarHBondContact O-N 2.67Å
41L71.1Confident59.8Low136 Ų136125.7 Ų125.771%0.71264%0.641SS**Hα-helixtrans-68.4-18.6173-75.2162.9000112.3A37A37-L41 WeakPolarHBondContact O-CB 3.49Å; A37-L41 WeakPolarHBondContact O-CD1 3.49Å; A37-L41 VanDerWaalsContact O-CG 3.3Å; A37-L41 WeakPolarHBondContact O-CG 3.39Å; A37-L41 PolarHBondContact O-N 3.05Å
42G49.6Very low57.8Low38 Ų38127.5 Ų127.539%0.39265%0.654SS.*THydrogen-bonded Turntrans59.687.317400000112.6R38 E39 D40 V44R38-G42 PolarHBondContact O-N 2.95Å; R38-G42 VanDerWaalsContact O-N 3.17Å; E39-G42 PolarHBondContact O-N 2.69Å; D40-G42 PolarHBondContact O-N 2.67Å; G42-V44 PolarHBondContact O-N 2.89Å
43D49Very low55.4Low99 Ų99126.3 Ų126.353%0.52966%0.656SS.*  trans11.877.2173.5-72.5-38000114.4R38 A45R38-D43 IonicContact NE-OD1 2.78Å; R38-D43 PolarHBondContact NE-OD1 3.3Å; R38-D43 IonicContact NH2-OD1 3.49Å; D43-A45 PolarHBondContact O-N 2.79Å
44V47.5Very low53.2Low139 Ų139127.3 Ų127.384%0.84268%0.68SS**  trans-83.435160.2-164.10000109.1G42G42-V44 PolarHBondContact O-N 2.89Å
45A44.2Very low50.6Low63 Ų63129.5 Ų129.552%0.52169%0.691SS.*  trans-131.860.9178.100000107.6D43D43-A45 PolarHBondContact O-N 2.79Å
46D43Very low48.5Very low139 Ų139131 Ų13174%0.74370%0.702SS**SBendtrans-163.164.8166.4-89.1-29.6000107.7
47E40.1Very low46.5Very low187 Ų187137.4 Ų137.487%0.87472%0.722SS**SBendtrans178.669.6156.5-100.1172.4-149.600107.3
48D36.1Very low44.1Very low164 Ų164142.6 Ų142.688%0.87774%0.744SS**  trans-176.234.5151.9-88.9-18.5000110.8E50D48-E50 PolarHBondContact O-N 2.91Å
49E34.5Very low41.7Very low191 Ų191142.5 Ų142.589%0.89375%0.754SS**  trans-93.278.2156.8-74.4-171.1177.900107.1E51E49-E51 PolarHBondContact O-N 2.85Å
50E33.4Very low39.4Very low189 Ų189142.5 Ų142.588%0.88376%0.759SS**  trans-70.5120.8154.5-76.7-158.1168.100107.7D48 D52D48-E50 PolarHBondContact O-N 2.91Å; E50-D52 PolarHBondContact O-N 2.98Å
51E35.4Very low38.1Very low180 Ų180140.9 Ų140.984%0.84176%0.756SS**  trans-45.6112.5176.8-61.9167.2157.600111.9E49E49-E51 PolarHBondContact O-N 2.85Å
52D31.2Very low35.9Very low163 Ų163140 Ų14087%0.87276%0.761SS**  trans-10492.8154-161.223.5000108.4E50 G54E50-D52 PolarHBondContact O-N 2.98Å; D52-G54 PolarHBondContact O-N 2.84Å
53E31.2Very low34.8Very low149 Ų149141.4 Ų141.470%0.69678%0.776SS**  trans-56.7113.6174.9-80.2-115.1151.300110.9
54G32.5Very low33.7Very low75 Ų75145.2 Ų145.277%0.77379%0.791SS**  trans-69.4134.1168.500000112.5D52D52-G54 PolarHBondContact O-N 2.84Å
55I28.2Very low32.7Very low146 Ų146144.7 Ų144.775%0.74979%0.787SS**  trans-145.6157.1161.8-22.1172.3000107.4
56P34.6Very low31.8Very low109 Ų109148.5 Ų148.571%0.70880%0.804SS**  -120.1179.2-99.126.9-3.3000112.5
57R37.5Very low31.1Very low237 Ų237150.8 Ų150.889%0.89481%0.81SS**  trans-66.9130.5166.7-69.9178.4174.2173.5-2.2110.4
58D27.4Very low30.5Very low155 Ų155149 Ų14983%0.82981%0.807SS**  trans-158.4158.4146.8-89-31.2000110.6
59D26.5Very low30.1Very low152 Ų152148 Ų14881%0.81380%0.802SS**  trans-54.5156.9-160.7-65.5-72.9000120.4
60D25.9Very low29.9Very low149 Ų149146.6 Ų146.680%0.79780%0.8SS**  trans-36159.5155.6-153.127.9000113.2
61P40.7Very low29.6Very low99 Ų99143.3 Ų143.364%0.64379%0.788SS**  cis-145.9-178.917.240-17.4000118.2
62S26.2Very low29.2Very low116 Ų116143.1 Ų143.181%0.81179%0.792SS**  trans91.9129149.176.50000120.8
63G25.4Very low29.1Very low68 Ų68140.7 Ų140.770%0.70178%0.783SS**  105.4102.5128.700000118.4
64E26.8Very low29Very low180 Ų180140.6 Ų140.684%0.84179%0.787SS**  trans72.9111.3135-64.8-177.3172.800121.3
65T25.6Very low28.7Very low127 Ų127144.7 Ų144.778%0.77978%0.783SS**  79.1117.9128.660.30000119.6
66V26.4Very low28.6Very low144 Ų144144.2 Ų144.287%0.87379%0.787SS**  trans-111118.7157.1-162.70000105.9
67E27.7Very low28.3Very low186 Ų186142.7 Ų142.787%0.86979%0.792SS**  trans-87.7137.7164.4-76.7-176.3156.300108.9
68D26.9Very low27.9Very low150 Ų150138 Ų13880%0.80278%0.784SS**  trans-60.8156.3171-70.5-68.6000113.5
69D27.7Very low27.9Very low144 Ų144136.3 Ų136.377%0.7778%0.775SS**  165.4125.7124.2-102.9-50.8000109.5
70D29.7Very low28.1Very low160 Ų160136.8 Ų136.886%0.85677%0.773SS**  176.6135.694-115.3-40.4000111.6
71D27.8Very low28.3Very low120 Ų120137.6 Ų137.664%0.64277%0.772SS**  trans-94.5149.8-170-163.13.9000111
72L27.8Very low28Very low176 Ų176141.2 Ų141.292%0.92178%0.78SS**  trans-138.291.8166-90.9175000110.6
73V28.6Very low28.6Very low112 Ų112145.2 Ų145.268%0.67979%0.786SS**  trans-72.7136.8173.7177.80000112.2
74L28.1Very low29.8Very low147 Ų147150.1 Ų150.177%0.7780%0.796SS**  trans-128.4109.1156.2-86.4170.4000111.9
75K28.3Very low31.3Very low161 Ų161147.5 Ų147.570%0.779%0.788SS**  78.1116.4129.5-76.7-174.5-178.1171.60121.8
76T25.8Very low32.7Very low136 Ų136149.1 Ų149.183%0.83479%0.787SS**  79.2116.312456.70000119
77G27.8Very low34Very low78 Ų78147.7 Ų147.780%0.80477%0.774SS**  trans152.185.815200000114
78N28.2Very low35.3Very low137 Ų137141.4 Ų141.473%0.73375%0.753SS**  trans-9.6131.7158.1-120.956.5000118.7
79D28.4Very low36.6Very low121 Ų121141.2 Ų141.265%0.64775%0.748SS**  42.1126.9127.8-54.8-15.9000117.5
80E30.2Very low37.9Very low161 Ų161142.6 Ų142.675%0.75274%0.743SS**  cis-172.5142.326.3-108.4160.6-166.700107.8
81E30.3Very low39.2Very low166 Ų166137.4 Ų137.478%0.77673%0.727SS**  trans63.4123.6141.4-65.1-176.1176.600123.4
82E34.6Very low40.6Very low176 Ų176136 Ų13682%0.82272%0.719SS**  trans80.997.8145.5-68.7-179.3-179.300119.1
83E38Very low42.2Very low199 Ų199132.7 Ų132.793%0.9370%0.703SS**  -169.792.4122.7-101.4170.2-168.100110.2
84D50.7Low43.4Very low171 Ų171134.9 Ų134.991%0.91470%0.703SS**  trans-66.4113.7150.4-91.4-28.9000107.2
85D58.4Low44.7Very low126 Ų126136.7 Ų136.767%0.67470%0.701SS**  trans-176.26.4145.7-132-6.5000117
86E54.6Low46Very low161 Ų161136.5 Ų136.575%0.75271%0.708SS**Hα-helixtrans-84.1-25-174.4-116.5-179.6-176.200114.6Y90E86-Y90 WeakPolarHBondContact O-CD2 3.2Å
87L55Low47.7Very low114 Ų114137.6 Ų137.660%0.59770%0.704SS**Hα-helixtrans-80.3-27.4178.9-93129.6000113.4L92L87-L92 HydrophobicContact CD2-CB 4.33Å
88A55.3Low48.6Very low54 Ų54142.8 Ų142.845%0.44671%0.707SS.*Hα-helixtrans-72.3-29.817600000112.4Y90 G91A88-Y90 VanDerWaalsContact C-N 3.25Å; A88-Y90 PolarHBondContact O-N 3.35Å; A88-G91 PolarHBondContact O-N 2.8Å
89E52.7Low49.3Very low146 Ų146144 Ų14468%0.68271%0.713SS**Hα-helixtrans-63.1-31.9179.4-170.1172.8-165.800112.3
90Y54.6Low50.3Low172 Ų172143.2 Ų143.268%0.67572%0.724SS**THydrogen-bonded Turntrans-97.41.6179.3-64.4-81.6000113.9E86 A88 L92E86-Y90 WeakPolarHBondContact O-CD2 3.2Å; A88-Y90 VanDerWaalsContact C-N 3.25Å; A88-Y90 PolarHBondContact O-N 3.35Å; Y90-L92 PolarHBondContact O-N 3.13Å
91G57.5Low50.7Low51 Ų51139.5 Ų139.553%0.52672%0.72SS.*THydrogen-bonded Turntrans60.424.8178.400000114.3A88 D93A88-G91 PolarHBondContact O-N 2.8Å; G91-D93 VanDerWaalsContact C-N 3.29Å; G91-D93 PolarHBondContact O-N 3.44Å
92L58.5Low51.7Low90 Ų90139 Ų13947%0.47173%0.728SS.*G310 helixtrans-76.5-17.2-176.6-79.9163.3000113.1L87 Y90 K94 Y95L87-L92 HydrophobicContact CD2-CB 4.33Å; Y90-L92 PolarHBondContact O-N 3.13Å; L92-K94 PolarHBondContact O-N 3.48Å; L92-Y95 HydrophobicContact CD2-CD2 4.21Å; L92-Y95 HydrophobicContact CD2-CG 4.45Å; L92-Y95 VanDerWaalsContact O-CB 3.3Å; L92-Y95 WeakPolarHBondContact O-CB 3.35Å; L92-Y95 PolarHBondContact O-N 2.96Å; L92-Y95 VanDerWaalsContact O-N 3.12Å
93D59.9Low52Low108 Ų108133.9 Ų133.958%0.57872%0.716SS**G310 helixtrans-68.1-6.2178.4-54.2-29.8000113.6G91G91-D93 VanDerWaalsContact C-N 3.29Å; G91-D93 PolarHBondContact O-N 3.44Å
94K54.9Low52.5Low157 Ų157130.4 Ų130.468%0.68371%0.705SS**G310 helixtrans-121.214.4176.5-65-173.2177.8-1780113.2L92 D96 E97L92-K94 PolarHBondContact O-N 3.48Å; K94-D96 VanDerWaalsContact C-N 3.25Å; K94-D96 PolarHBondContact O-N 3.34Å; K94-E97 PolarHBondContact O-N 3.14Å
95Y54.4Low52.2Low185 Ų185129.7 Ų129.773%0.72570%0.7SS**THydrogen-bonded Turntrans-65.2-29-174.5-167.5-99.2000113.1L92L92-Y95 HydrophobicContact CD2-CD2 4.21Å; L92-Y95 HydrophobicContact CD2-CG 4.45Å; L92-Y95 VanDerWaalsContact O-CB 3.3Å; L92-Y95 WeakPolarHBondContact O-CB 3.35Å; L92-Y95 PolarHBondContact O-N 2.96Å; L92-Y95 VanDerWaalsContact O-N 3.12Å
96D56.5Low51.5Low157 Ų157126.5 Ų126.584%0.8470%0.697SS**THydrogen-bonded Turntrans-99.6-1.1178.3-70.3-16.5000113.6K94K94-D96 VanDerWaalsContact C-N 3.25Å; K94-D96 PolarHBondContact O-N 3.34Å
97E60.7Low51.2Low160 Ų160125 Ų12575%0.74869%0.694SS**  trans-116.661.9-179-69.4-169.4170.600111.7K94K94-E97 PolarHBondContact O-N 3.14Å
98E46.8Very low50.9Low187 Ų187124.6 Ų124.687%0.87470%0.7SS**  trans-118.5114152.9-85-164164.300111.7
99D43.4Very low50.4Low163 Ų163127.5 Ų127.587%0.87271%0.708SS**  trans-48.5143169.9-99.2-42.6000112.7A101D99-A101 PolarHBondContact O-N 2.68Å
100A49.2Very low50.1Low104 Ų104123.3 Ų123.386%0.8670%0.698SS**  trans-54.788173.100000113
101A38.9Very low49.7Very low83 Ų83118.5 Ų118.569%0.68670%0.701SS**  trans-102.399.4159.600000108.5D99 A103D99-A101 PolarHBondContact O-N 2.68Å; A101-A103 PolarHBondContact O-N 3.35Å
102T50.4Low49.3Very low154 Ų154121.8 Ų121.895%0.94571%0.706SS**  trans-62.279.2164.435.40000110
103A42.5Very low49.2Very low69 Ų69120.9 Ų120.957%0.5770%0.704SS**SBendtrans-146.2103.4169.300000109.5A101A101-A103 PolarHBondContact O-N 3.35Å
104N46.8Very low49Very low127 Ų127122.2 Ų122.268%0.67972%0.716SS**  trans74.533.3153.9-53.9-12.6000119.5G106 D107N104-G106 PolarHBondContact O-N 3.02Å; N104-D107 HydrophobicContact CB-CB 4.47Å; N104-D107 PolarHBondContact O-N 3.43Å
105L45.7Very low49.2Very low156 Ų156117.2 Ų117.282%0.81769%0.694SS**Hα-helixtrans-64.9-16.7158.3-109108.7000113.1D107 L109L105-D107 VanDerWaalsContact C-N 3.34Å; L105-L109 PolarHBondContact O-N 2.95Å
106G44.3Very low49.4Very low59 Ų59113.4 Ų113.461%0.60869%0.694SS**Hα-helixtrans-69.8-26.2174.300000114.2N104 A110N104-G106 PolarHBondContact O-N 3.02Å; G106-A110 VanDerWaalsContact O-CB 3.31Å; G106-A110 WeakPolarHBondContact O-CB 3.3Å; G106-A110 PolarHBondContact O-N 3.15Å
107D47.9Very low49.3Very low130 Ų130108.2 Ų108.270%0.69567%0.67SS**Hα-helixtrans-92-22.6-173.4-117.86.6000113N104 L105N104-D107 HydrophobicContact CB-CB 4.47Å; N104-D107 PolarHBondContact O-N 3.43Å; L105-D107 VanDerWaalsContact C-N 3.34Å
108S47.3Very low49.4Very low104 Ų104105 Ų10573%0.72766%0.658SS**Hα-helixtrans-89.9-20.9173.5-168.80000113.3
109L46.1Very low50.3Low115 Ų115101.1 Ų101.160%0.60264%0.644SS**Hα-helixtrans-88.3-15.5169.7-162.570000111.9L105 G111 L112L105-L109 PolarHBondContact O-N 2.95Å; L109-G111 PolarHBondContact O-N 3.16Å; L109-G111 VanDerWaalsContact O-N 3.14Å; L109-L112 HydrophobicContact CD1-CB 3.97Å; L109-L112 HydrophobicContact CD1-CD1 4.1Å; L109-L112 HydrophobicContact CG-CB 4.49Å; L109-L112 CarbonylContact O-C 3.56Å; L109-L112 WeakPolarHBondContact O-CA 3.29Å; L109-L112 PolarHBondContact O-N 3.08Å
110A45.7Very low51.2Low59 Ų5998.9 Ų98.949%0.48863%0.628SS.*THydrogen-bonded Turntrans-63.1-14.5173.600000114G106G106-A110 VanDerWaalsContact O-CB 3.31Å; G106-A110 WeakPolarHBondContact O-CB 3.3Å; G106-A110 PolarHBondContact O-N 3.15Å
111G46.6Very low52.3Low70 Ų7095.6 Ų95.672%0.72260%0.596SS**THydrogen-bonded Turntrans-87.4-15.8169.400000114.3L109 T113L109-G111 PolarHBondContact O-N 3.16Å; L109-G111 VanDerWaalsContact O-N 3.14Å; G111-T113 VanDerWaalsContact C-N 3.31Å; G111-T113 PolarHBondContact O-N 2.92Å
112L49.6Very low53.5Low120 Ų12096.2 Ų96.263%0.62859%0.593SS**SBendtrans-96.264168.4-89.7130.1000107.8L109 V114L109-L112 HydrophobicContact CD1-CB 3.97Å; L109-L112 HydrophobicContact CD1-CD1 4.1Å; L109-L112 HydrophobicContact CG-CB 4.49Å; L109-L112 CarbonylContact O-C 3.56Å; L109-L112 WeakPolarHBondContact O-CA 3.29Å; L109-L112 PolarHBondContact O-N 3.08Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.2Å
113T54.6Low54.2Low71 Ų7198 Ų9844%0.43658%0.583SS.*  trans-63.598.7166.744.70000107.9G111 F115G111-T113 VanDerWaalsContact C-N 3.31Å; G111-T113 PolarHBondContact O-N 2.92Å; T113-F115 HydrophobicContact CG2-CE1 4.4Å; T113-F115 HydrophobicContact CG2-CZ 4.13Å; T113-F115 VanDerWaalsContact O-CD2 3.23Å; T113-F115 WeakPolarHBondContact O-CD2 3.27Å; T113-F115 VanDerWaalsContact O-CE2 3.3Å; T113-F115 WeakPolarHBondContact O-CE2 3.48Å; T113-F115 PolarHBondContact O-N 3.27Å; T113-F115 WeakPolarHBondContact OG1-CE2 3.21Å; T113-F115 WeakPolarHBondContact OG1-CZ 3.48Å
114V56.2Low55.1Low136 Ų13696.3 Ų96.382%0.82457%0.566SS**  trans-75.5105.7163179.60000105.5L112L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.2Å
115F59.8Low55.7Low53 Ų5396.6 Ų96.623%0.23257%0.573CS.*  trans-74.7137.7176.7-61.5-76.8000109.2T113 S117 E120 D121 P122T113-F115 HydrophobicContact CG2-CE1 4.4Å; T113-F115 HydrophobicContact CG2-CZ 4.13Å; T113-F115 VanDerWaalsContact O-CD2 3.23Å; T113-F115 WeakPolarHBondContact O-CD2 3.27Å; T113-F115 VanDerWaalsContact O-CE2 3.3Å; T113-F115 WeakPolarHBondContact O-CE2 3.48Å; T113-F115 PolarHBondContact O-N 3.27Å; T113-F115 WeakPolarHBondContact OG1-CE2 3.21Å; T113-F115 WeakPolarHBondContact OG1-CZ 3.48Å; F115-S117 PolarHBondContact O-N 3.41Å; F115-E120 HydrophobicContact CB-CB 4.21Å; F115-E120 HydrophobicContact CD1-CB 3.96Å; F115-E120 WeakPolarHBondContact CD1-O 3.48Å; F115-E120 WeakPolarHBondContact CE1-O 3.47Å; F115-E120 HydrophobicContact CG-CB 4.5Å; F115-D121 HydrophobicContact CB-CB 3.81Å; F115-D121 HydrophobicContact CD1-CB 4.44Å; F115-D121 VanDerWaalsContact CD2-CA 3.45Å; F115-D121 HydrophobicContact CD2-CB 3.36Å; F115-D121 WeakPolarHBondContact CD2-OD1 3.31Å; F115-D121 WeakPolarHBondContact CD2-OD2 3.41Å; F115-D121 HydrophobicContact CE2-CB 3.99Å; F115-D121 VanDerWaalsContact CE2-CG 3.47Å; F115-D121 VanDerWaalsContact CE2-OD1 3.26Å; F115-D121 WeakPolarHBondContact CE2-OD1 3.49Å; F115-D121 VanDerWaalsContact CG-CA 3.41Å; F115-D121 HydrophobicContact CG-CB 3.6Å; F115-P122 VanDerWaalsContact CE1-CD 3.47Å; F115-P122 HydrophobicContact CE1-CG 4.26Å; F115-P122 VanDerWaalsContact CE2-CD 3.41Å; F115-P122 HydrophobicContact CZ-CG 3.85Å
116S58Low56.3Low104 Ų10493.1 Ų93.173%0.72755%0.554SS**SBendtrans-73.6-20.3-175.971.60000112.5E120S116-E120 PolarHBondContact OG-OE2 3.33Å
117S55.4Low56.9Low48 Ų4896.2 Ų96.234%0.33655%0.551SS.*SBendtrans-148.7159.617367.10000110.6F115 D119 E120F115-S117 PolarHBondContact O-N 3.41Å; S117-D119 PolarHBondContact O-N 3.14Å; S117-D119 VanDerWaalsContact O-N 3.11Å; S117-E120 PolarHBondContact O-N 2.85Å; S117-E120 VanDerWaalsContact O-N 3.15Å
118N62.7Low57.2Low93 Ų9394.2 Ų94.250%0.49754%0.54SS..THydrogen-bonded Turntrans-56-25.5175.2-87.817.6000113.2E120 D121 V124N118-E120 VanDerWaalsContact C-N 3.31Å; N118-E120 PolarHBondContact O-N 2.78Å; N118-D121 PolarHBondContact O-N 3.07Å; N118-V124 HydrophobicContact CB-CG1 4.26Å
119D64.8Low57.5Low106 Ų10692.1 Ų92.157%0.56752%0.523SS*.THydrogen-bonded Turntrans-67.1-32.6-179.8-70.4-48.3000113.5S117 K127S117-D119 PolarHBondContact O-N 3.14Å; S117-D119 VanDerWaalsContact O-N 3.11Å; D119-K127 PolarHBondContact O-NZ 3.02Å
120E63.2Low58.2Low115 Ų11590.1 Ų90.154%0.53751%0.513SS..THydrogen-bonded Turntrans-87.4-13.2-175.5-64.2-174.7154.800112.4F115 S116 S117 N118 P122F115-E120 HydrophobicContact CB-CB 4.21Å; F115-E120 HydrophobicContact CD1-CB 3.96Å; F115-E120 WeakPolarHBondContact CD1-O 3.48Å; F115-E120 WeakPolarHBondContact CE1-O 3.47Å; F115-E120 HydrophobicContact CG-CB 4.5Å; S116-E120 PolarHBondContact OG-OE2 3.33Å; S117-E120 PolarHBondContact O-N 2.85Å; S117-E120 VanDerWaalsContact O-N 3.15Å; N118-E120 VanDerWaalsContact C-N 3.31Å; N118-E120 PolarHBondContact O-N 2.78Å; E120-P122 VanDerWaalsContact O-CD 3.31Å; E120-P122 WeakPolarHBondContact O-CD 3.28Å
121D71.1Confident58.6Low35 Ų3592.6 Ų92.619%0.18752%0.515CS..  trans-83.1114.1-178.4-165.5-24.3000112.7F115 N118 Y123 V124F115-D121 HydrophobicContact CB-CB 3.81Å; F115-D121 HydrophobicContact CD1-CB 4.44Å; F115-D121 VanDerWaalsContact CD2-CA 3.45Å; F115-D121 HydrophobicContact CD2-CB 3.36Å; F115-D121 WeakPolarHBondContact CD2-OD1 3.31Å; F115-D121 WeakPolarHBondContact CD2-OD2 3.41Å; F115-D121 HydrophobicContact CE2-CB 3.99Å; F115-D121 VanDerWaalsContact CE2-CG 3.47Å; F115-D121 VanDerWaalsContact CE2-OD1 3.26Å; F115-D121 WeakPolarHBondContact CE2-OD1 3.49Å; F115-D121 VanDerWaalsContact CG-CA 3.41Å; F115-D121 HydrophobicContact CG-CB 3.6Å; N118-D121 PolarHBondContact O-N 3.07Å; D121-Y123 PolarHBondContact O-N 2.82Å; D121-Y123 WeakPolarHBondContact OD1-CA 3.45Å; D121-Y123 WeakPolarHBondContact OD1-CB 3.24Å; D121-Y123 PolarHBondContact OD1-N 2.93Å; D121-V124 HydrophobicContact CB-CB 4.03Å; D121-V124 HydrophobicContact CB-CG2 3.73Å; D121-V124 PolarHBondContact O-N 2.92Å
122P65.4Low59Low96 Ų9695.6 Ų95.662%0.62351%0.505SS*.THydrogen-bonded Turntrans-66.8-16.4176.2-17.631.7000114.4F115 E120F115-P122 VanDerWaalsContact CE1-CD 3.47Å; F115-P122 HydrophobicContact CE1-CG 4.26Å; F115-P122 VanDerWaalsContact CE2-CD 3.41Å; F115-P122 HydrophobicContact CZ-CG 3.85Å; E120-P122 VanDerWaalsContact O-CD 3.31Å; E120-P122 WeakPolarHBondContact O-CD 3.28Å
123Y63.8Low59.7Low191 Ų19195.6 Ų95.675%0.74950%0.502SS*.THydrogen-bonded Turntrans-96.8-15.5-179.6-59.3-75.5000113D121 T125D121-Y123 PolarHBondContact O-N 2.82Å; D121-Y123 WeakPolarHBondContact OD1-CA 3.45Å; D121-Y123 WeakPolarHBondContact OD1-CB 3.24Å; D121-Y123 PolarHBondContact OD1-N 2.93Å; Y123-T125 PolarHBondContact O-N 3.01Å
124V62.7Low60.2Low35 Ų35100 Ų10021%0.21251%0.51CS..  trans-78.697.6168.4176.40000108.6N118 D121 I126N118-V124 HydrophobicContact CB-CG1 4.26Å; D121-V124 HydrophobicContact CB-CB 4.03Å; D121-V124 HydrophobicContact CB-CG2 3.73Å; D121-V124 PolarHBondContact O-N 2.92Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 WeakPolarHBondContact CG1-O 3.27Å
125T58.8Low60.7Low132 Ų13298.2 Ų98.281%0.8149%0.493SS*.SBendtrans-78.4-14.4-179.354.80000113.7Y123Y123-T125 PolarHBondContact O-N 3.01Å
126I59.3Low61.2Low83 Ų83101.3 Ų101.343%0.42651%0.512SS..  trans-110.990.9175.6-57.6168.6000106.4V124 D128 T129 Y132V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 WeakPolarHBondContact CG1-O 3.27Å; I126-D128 VanDerWaalsContact C-N 3.27Å; I126-T129 HydrophobicContact CG2-CG2 3.93Å; I126-Y132 HydrophobicContact CG2-CD2 4.45Å; I126-Y132 HydrophobicContact CG2-CE2 4.19Å
127K55.8Low62.2Low125 Ų12599.3 Ų99.354%0.54349%0.49SS..SBendtrans-74.9-21.2-177.2-62.5-166.8170.8-142.70113.2D119D119-K127 PolarHBondContact O-NZ 3.02Å
128D54.3Low63.5Low87 Ų87100.1 Ų100.147%0.46549%0.489SS..  trans-134.393.4-173.4-164.2-3.3000107.7I126 D130I126-D128 VanDerWaalsContact C-N 3.27Å; D128-D130 WeakPolarHBondContact OD1-CB 3.49Å; D128-D130 PolarHBondContact OD1-N 2.83Å
129T54.1Low64.7Low61 Ų6196 Ų9637%0.37447%0.467SS..  trans-75.8-13.5170.339.60000111.4I126 Q131 Y132 E133I126-T129 HydrophobicContact CG2-CG2 3.93Å; T129-Q131 PolarHBondContact O-N 3.13Å; T129-Q131 VanDerWaalsContact O-N 3.11Å; T129-Y132 PolarHBondContact O-N 2.9Å; T129-E133 PolarHBondContact O-N 2.86Å
130D59.7Low65.7Low72 Ų7295.3 Ų95.339%0.38546%0.459SS..Hα-helixtrans-59.4-29.8-178-56.9-6000111.9D128 R134D128-D130 WeakPolarHBondContact OD1-CB 3.49Å; D128-D130 PolarHBondContact OD1-N 2.83Å; D130-R134 VanDerWaalsContact O-CB 3.25Å; D130-R134 WeakPolarHBondContact O-CB 3.49Å; D130-R134 WeakPolarHBondContact O-CG 3.21Å; D130-R134 PolarHBondContact O-N 3.41Å; D130-R134 IonicContact OD2-NH2 3.53Å
131Q54.9Low66.8Low112 Ų11294.2 Ų94.252%0.52346%0.461SS..Hα-helixtrans-65.8-45.3176.6-172.1-179.2-11.500111.6T129 R134 E135T129-Q131 PolarHBondContact O-N 3.13Å; T129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-R134 PolarHBondContact O-N 3.33Å; Q131-E135 PolarHBondContact NE2-OE1 3.14Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.09Å; Q131-E135 WeakPolarHBondContact O-CG 3.46Å; Q131-E135 PolarHBondContact O-N 2.92Å
132Y55.8Low67.6Low133 Ų13395 Ų9552%0.52247%0.467SS..Hα-helixtrans-69.9-39.7178.1-66-77.6000111.1I126 T129 R134 E135 D136I126-Y132 HydrophobicContact CG2-CD2 4.45Å; I126-Y132 HydrophobicContact CG2-CE2 4.19Å; T129-Y132 PolarHBondContact O-N 2.9Å; Y132-R134 VanDerWaalsContact C-N 3.32Å; Y132-R134 PolarHBondContact O-N 2.96Å; Y132-E135 PolarHBondContact O-N 3.4Å; Y132-D136 PolarHBondContact O-N 3.23Å
133E63.5Low68.8Low119 Ų11990.7 Ų90.756%0.55644%0.439SS*.Hα-helixtrans-63-37.5175-69.1177.2-164.700112T129 F137T129-E133 PolarHBondContact O-N 2.86Å; E133-F137 WeakPolarHBondContact O-CB 3.33Å; E133-F137 PolarHBondContact O-N 3.13Å; E133-F137 VanDerWaalsContact O-N 3.11Å
134R65.9Low70.2Confident163 Ų16381.6 Ų81.662%0.61540%0.404SS*.Hα-helixtrans-69.4-37.7174-75.9173.8-150.8163.312.7112.9D130 Q131 Y132 Q138D130-R134 VanDerWaalsContact O-CB 3.25Å; D130-R134 WeakPolarHBondContact O-CB 3.49Å; D130-R134 WeakPolarHBondContact O-CG 3.21Å; D130-R134 PolarHBondContact O-N 3.41Å; D130-R134 IonicContact OD2-NH2 3.53Å; Q131-R134 PolarHBondContact O-N 3.33Å; Y132-R134 VanDerWaalsContact C-N 3.32Å; Y132-R134 PolarHBondContact O-N 2.96Å; R134-Q138 WeakPolarHBondContact O-CB 3.46Å; R134-Q138 PolarHBondContact O-N 3.13Å
135E65.6Low71.7Confident99 Ų9980.1 Ų80.146%0.46339%0.394SS..Hα-helixtrans-68.7-39.2177.6-75.5176.1-16200111.4Q131 Y132 F137 Q138Q131-E135 PolarHBondContact NE2-OE1 3.14Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.09Å; Q131-E135 WeakPolarHBondContact O-CG 3.46Å; Q131-E135 PolarHBondContact O-N 2.92Å; Y132-E135 PolarHBondContact O-N 3.4Å; E135-F137 VanDerWaalsContact C-N 3.35Å; E135-Q138 WeakPolarHBondContact O-CB 3.42Å; E135-Q138 PolarHBondContact O-N 3.46Å
136D69.5Low73.5Confident118 Ų11873.8 Ų73.863%0.63136%0.356SS*.Hα-helixtrans-72.2-27.9177.5-74.7-13.6000113Y132 Q138 Y171Y132-D136 PolarHBondContact O-N 3.23Å; D136-Q138 VanDerWaalsContact C-N 3.32Å; D136-Y171 PolarHBondContact O-OH 2.95Å
137F79.5Confident75.3Confident62 Ų6269.9 Ų69.927%0.27234%0.336SS..THydrogen-bonded Turntrans-86.8-1.6175.9-155.6-99.8000113.4P20 E133 E135 H173 V219P20-F137 HydrophobicContact CB-CE1 4.04Å; P20-F137 HydrophobicContact CG-CE1 4.27Å; E133-F137 WeakPolarHBondContact O-CB 3.33Å; E133-F137 PolarHBondContact O-N 3.13Å; E133-F137 VanDerWaalsContact O-N 3.11Å; E135-F137 VanDerWaalsContact C-N 3.35Å; F137-H173 AromaticContact CD1-CE1 3.91Å; F137-H173 AromaticContact CD1-NE2 3.96Å; F137-H173 AromaticContact CD2-CE1 3.69Å; F137-H173 AromaticContact CD2-NE2 3.76Å; F137-H173 AromaticContact CE1-CE1 3.79Å; F137-H173 AromaticContact CE2-CE1 3.56Å; F137-H173 AromaticContact CG-CE1 3.89Å; F137-H173 AromaticContact CG-NE2 3.7Å; F137-H173 AromaticContact CZ-CE1 3.64Å; F137-H173 PolarHBondContact O-NE2 2.92Å; F137-V219 HydrophobicContact CE1-CG2 4.26Å; F137-V219 HydrophobicContact CE2-CG1 4.37Å; F137-V219 HydrophobicContact CZ-CB 3.92Å; F137-V219 HydrophobicContact CZ-CG1 3.93Å; F137-V219 HydrophobicContact CZ-CG2 3.64Å
138Q84.1Confident77.2Confident66 Ų6663.9 Ų63.931%0.30831%0.31SS..  trans-85.6125.1179.6-165.5173.22900110.5E18 T19 R134 E135 D136E18-Q138 HydrophobicContact CG-CG 3.66Å; E18-Q138 WeakPolarHBondContact O-CA 3.42Å; E18-Q138 PolarHBondContact OE1-NE2 2.69Å; T19-Q138 HydrophobicContact CG2-CG 4.43Å; R134-Q138 WeakPolarHBondContact O-CB 3.46Å; R134-Q138 PolarHBondContact O-N 3.13Å; E135-Q138 WeakPolarHBondContact O-CB 3.42Å; E135-Q138 PolarHBondContact O-N 3.46Å; D136-Q138 VanDerWaalsContact C-N 3.32Å
139I86.9Confident79.1Confident7 Ų759.8 Ų59.84%0.03629%0.288CS..  trans-85.9115.8176.1-53.8-179.9000108.5A16 E18 P20 D143 L145 I162A16-I139 HydrophobicContact CB-CD1 4.19Å; A16-I139 HydrophobicContact CB-CG2 4.26Å; E18-I139 PolarHBondContact O-N 2.99Å; P20-I139 HydrophobicContact CG-CD1 3.68Å; P20-I139 HydrophobicContact CG-CG1 4.3Å; I139-D143 HydrophobicContact CG2-CB 4.36Å; I139-L145 HydrophobicContact CD1-CD2 4.27Å; I139-L145 HydrophobicContact CG2-CD2 4.28Å; I139-I162 HydrophobicContact CG1-CD1 3.99Å
140K86.8Confident81Confident90 Ų9058.6 Ų58.639%0.39128%0.277SS..  trans-76149.9-179.7-55.3170-178.8163.80110.1T142 D143 E167K140-T142 PolarHBondContact O-N 3.1Å; K140-D143 WeakPolarHBondContact CA-OD2 3.26Å; K140-D143 WeakPolarHBondContact CB-OD2 3.28Å; K140-D143 PolarHBondContact N-OD2 3.38Å; K140-D143 VanDerWaalsContact O-CB 3.31Å; K140-D143 WeakPolarHBondContact O-CB 3.5Å; K140-D143 PolarHBondContact O-N 3.23Å; K140-E167 IonicContact NZ-OE1 3.8Å; K140-E167 PolarHBondContact NZ-OE1 3.27Å
141P85.7Confident82.5Confident92 Ų9255.8 Ų55.860%0.59726%0.263SS*.THydrogen-bonded Turntrans-60.5-21176-25.234.3000114.7R13 G14 D143R13-P141 WeakPolarHBondContact CB-O 3.36Å; G14-P141 PolarHBondContact N-O 3.11Å; P141-D143 VanDerWaalsContact C-N 3.32Å
142T87.6Confident84.1Confident51 Ų5153.4 Ų53.431%0.31325%0.252SS..THydrogen-bonded Turntrans-80.9-13.1176.548.70000113.4R13 K140R13-T142 WeakPolarHBondContact CD-O 3.38Å; R13-T142 PolarHBondContact NE-O 2.78Å; R13-T142 VanDerWaalsContact NE-O 3.07Å; R13-T142 PolarHBondContact NH1-O 3.32Å; K140-T142 PolarHBondContact O-N 3.1Å
143D90.5Very high85.4Confident6 Ų654.3 Ų54.33%0.03226%0.258CS..PPolyproline II helixtrans-83.4142.5-171.8-63.1-18.3000111.1I139 K140 P141 I162 N164I139-D143 HydrophobicContact CG2-CB 4.36Å; K140-D143 WeakPolarHBondContact CA-OD2 3.26Å; K140-D143 WeakPolarHBondContact CB-OD2 3.28Å; K140-D143 PolarHBondContact N-OD2 3.38Å; K140-D143 VanDerWaalsContact O-CB 3.31Å; K140-D143 WeakPolarHBondContact O-CB 3.5Å; K140-D143 PolarHBondContact O-N 3.23Å; P141-D143 VanDerWaalsContact C-N 3.32Å; D143-I162 HydrophobicContact CB-CG2 3.94Å; D143-N164 PolarHBondContact OD1-ND2 2.68Å
144N93.5Very high86.1Confident0 Ų056.4 Ų56.40%027%0.273CS..EExtended strand (participates in β ladder)trans-98.1140.1168.8-76.9107000109W10 V11 R13 Y163 D438W10-N144 HydrophobicContact CE3-CB 3.98Å; W10-N144 HydrophobicContact CZ3-CB 3.76Å; V11-N144 PolarHBondContact O-ND2 2.82Å; R13-N144 PolarHBondContact NE-OD1 3.28Å; R13-N144 PolarHBondContact NH2-OD1 3.15Å; R13-N144 VanDerWaalsContact NH2-OD1 3.14Å; N144-Y163 PolarHBondContact N-O 3.4Å; N144-Y163 PolarHBondContact O-N 2.79Å; N144-D438 PolarHBondContact ND2-OD2 3.42Å
145L94.4Very high87.1Confident4 Ų452.6 Ų52.62%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-93140.5166.4-50.4174.5000110.3V11 A16 I139 I160 Y161 I162V11-L145 HydrophobicContact CB-CB 3.86Å; V11-L145 HydrophobicContact CB-CD1 4.42Å; V11-L145 HydrophobicContact CB-CG 4.42Å; V11-L145 HydrophobicContact CG2-CB 3.94Å; V11-L145 HydrophobicContact CG2-CD1 4.43Å; V11-L145 PolarHBondContact N-O 2.97Å; A16-L145 HydrophobicContact CB-CD1 3.63Å; A16-L145 HydrophobicContact CB-CG 4.42Å; I139-L145 HydrophobicContact CD1-CD2 4.27Å; I139-L145 HydrophobicContact CG2-CD2 4.28Å; L145-I160 HydrophobicContact CB-CG2 4.34Å; L145-I160 HydrophobicContact CD1-CG2 4.36Å; L145-I160 HydrophobicContact CD2-CG2 4.19Å; L145-Y161 CarbonylContact C-O 3.52Å; L145-Y161 VanDerWaalsContact CA-O 3.29Å; L145-Y161 WeakPolarHBondContact CA-O 3.33Å; L145-I162 HydrophobicContact CD2-CG1 3.63Å
146I95.9Very high88.3Confident0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-117.3127.2171-54.4161.8000107.5V8 G9 W10 Y161 Y163 M170 A444 L452 I454V8-I146 HydrophobicContact CG1-CG2 3.79Å; G9-I146 WeakPolarHBondContact O-CA 3.14Å; W10-I146 HydrophobicContact CD2-CG1 3.9Å; W10-I146 HydrophobicContact CE3-CD1 4.28Å; W10-I146 HydrophobicContact CE3-CG1 3.44Å; W10-I146 VanDerWaalsContact CE3-CG1 3.44Å; W10-I146 HydrophobicContact CH2-CD1 3.39Å; W10-I146 HydrophobicContact CH2-CG1 3.52Å; W10-I146 HydrophobicContact CZ2-CD1 3.94Å; W10-I146 HydrophobicContact CZ2-CG1 3.96Å; W10-I146 HydrophobicContact CZ3-CD1 3.59Å; W10-I146 HydrophobicContact CZ3-CG1 3.23Å; I146-Y161 PolarHBondContact N-O 3.27Å; I146-Y161 PolarHBondContact O-N 3.41Å; I146-Y163 HydrophobicContact CD1-CG 4.34Å; I146-M170 HydrophobicContact CD1-CE 4.03Å; I146-A444 HydrophobicContact CG2-CB 4.33Å; I146-L452 HydrophobicContact CG2-CD2 3.9Å; I146-I454 HydrophobicContact CD1-CD1 3.25Å; I146-I454 HydrophobicContact CD1-CG1 3.89Å
147L96.4Very high89.5Confident0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-98.6124.3177.6-51.7178.1000107.3V8 G9 V11 L158 I160 V185 V202 L216V8-L147 CarbonylContact C-O 3.56Å; V8-L147 VanDerWaalsContact CA-O 3.24Å; V8-L147 WeakPolarHBondContact CA-O 3.47Å; G9-L147 PolarHBondContact N-O 3.29Å; G9-L147 PolarHBondContact O-N 2.78Å; V11-L147 HydrophobicContact CG2-CD1 4.04Å; V11-L147 HydrophobicContact CG2-CD2 4.31Å; V11-L147 HydrophobicContact CG2-CG 4.15Å; L147-L158 HydrophobicContact CB-CD1 4.34Å; L147-I160 HydrophobicContact CD2-CG1 3.92Å; L147-I160 HydrophobicContact CD2-CG2 4.32Å; L147-V185 HydrophobicContact CB-CG2 4.43Å; L147-V202 HydrophobicContact CD1-CB 3.99Å; L147-V202 HydrophobicContact CD1-CG2 3.65Å; L147-L216 HydrophobicContact CD1-CD1 4Å; L147-L216 HydrophobicContact CD2-CD1 3.85Å; L147-L216 HydrophobicContact CD2-CD2 3.58Å; L147-L216 HydrophobicContact CD2-CG 4.39Å
148A96.3Very high90.2Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-130.9115.4-178.500000111.2I5 K150 E159 Y161 L452I5-A148 HydrophobicContact CD1-CB 4.24Å; I5-A148 HydrophobicContact CG2-CB 4.19Å; A148-K150 PolarHBondContact O-N 3.08Å; A148-E159 PolarHBondContact N-O 2.92Å; A148-E159 PolarHBondContact O-N 2.88Å; A148-Y161 HydrophobicContact CB-CD2 4.18Å; A148-Y161 HydrophobicContact CB-CE2 3.93Å; A148-L452 HydrophobicContact CB-CD2 3.91Å
149G95.3Very high90.7Very high0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-74.5106.2170.900000109.2I5 T6 C7I5-G149 CarbonylContact C-O 3.52Å; I5-G149 WeakPolarHBondContact CA-O 3.3Å; T6-G149 PolarHBondContact N-O 2.86Å; T6-G149 PolarHBondContact OG1-O 2.96Å; C7-G149 PolarHBondContact O-N 3.32Å
150K93.8Very high91.1Very high36 Ų3638.1 Ų38.116%0.15720%0.202CC..EExtended strand (participates in β ladder)trans-103.1143179.1176.8176.8165.8-177.80110.5S3 Q4 I5 A148 N157 E159S3-K150 WeakPolarHBondContact OG-CD 3.28Å; S3-K150 WeakPolarHBondContact OG-CE 3.24Å; S3-K150 WeakPolarHBondContact OG-CG 3.43Å; Q4-K150 WeakPolarHBondContact O-CA 3.29Å; I5-K150 HydrophobicContact CD1-CB 3.49Å; I5-K150 VanDerWaalsContact CD1-CB 3.49Å; I5-K150 HydrophobicContact CD1-CD 4.34Å; I5-K150 HydrophobicContact CD1-CG 3.91Å; A148-K150 PolarHBondContact O-N 3.08Å; K150-N157 WeakPolarHBondContact CB-OD1 3.3Å; K150-N157 WeakPolarHBondContact CG-OD1 3.37Å; K150-N157 PolarHBondContact N-O 2.9Å; K150-N157 PolarHBondContact O-N 2.88Å; K150-N157 VanDerWaalsContact O-O 3.13Å; K150-N157 PolarHBondContact O-OD1 3.42Å; K150-E159 HydrophobicContact CB-CG 4.46Å; K150-E159 HydrophobicContact CD-CG 4.29Å; K150-E159 WeakPolarHBondContact CD-OE1 3.41Å; K150-E159 VanDerWaalsContact CD-OE2 3.28Å; K150-E159 WeakPolarHBondContact CD-OE2 3.3Å; K150-E159 WeakPolarHBondContact CE-OE1 3.07Å; K150-E159 IonicContact NZ-OE1 3.86Å; K150-E159 PolarHBondContact NZ-OE1 2.55Å; K150-E159 IonicContact NZ-OE2 3.56Å
151T90.9Very high91.5Very high13 Ų1335.3 Ų35.38%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-130.2125.3170.7-52.40000109.4Q4 Y181Q4-T151 PolarHBondContact N-O 3.25Å; Q4-T151 VanDerWaalsContact N-O 3.09Å; Q4-T151 PolarHBondContact O-N 3.47Å; T151-Y181 HydrophobicContact CG2-CD2 3.64Å; T151-Y181 HydrophobicContact CG2-CE2 3.65Å; T151-Y181 WeakPolarHBondContact OG1-CD2 3.25Å; T151-Y181 WeakPolarHBondContact OG1-CE2 3.31Å
152E87.8Confident91.8Very high63 Ų6330.9 Ų30.929%0.29416%0.161SC..EExtended strand (participates in β ladder)trans-129.5108.2173.5-176.7163.9-166.300109.6D154 C155E152-D154 PolarHBondContact O-N 3.45Å; E152-C155 PolarHBondContact N-O 2.87Å; E152-C155 PolarHBondContact O-N 2.84Å
153K82.7Confident92.1Very high152 Ų15229.5 Ų29.566%0.66115%0.15SC*.THydrogen-bonded Turntrans55.5-106.4-176.3-55.6174.5-173.9168.50111.2M1M1-K153 PolarHBondContact SD-NZ 2.78Å
154D79.6Confident92.1Very high162 Ų16229.4 Ų29.487%0.86615%0.15SC*.THydrogen-bonded Turntrans-104.3-1.9-176.9-56.6-46.3000112.4E152E152-D154 PolarHBondContact O-N 3.45Å
155C86.1Confident91.8Very high84 Ų8431 Ų3157%0.56816%0.161SC*.EExtended strand (participates in β ladder)trans-99.4129177.9-61.80000110.5E152E152-C155 PolarHBondContact N-O 2.87Å; E152-C155 PolarHBondContact O-N 2.84Å
156C92.3Very high91.4Very high20 Ų2038 Ų3814%0.13519%0.194CC..EExtended strand (participates in β ladder)trans-113.8122.9174.1-620000108L178 Y181C156-L178 HydrophobicContact CB-CB 4.13Å; C156-L178 PolarHBondContact O-N 3.5Å; C156-Y181 VanDerWaalsContact SG-CA 3.58Å
157N93.2Very high90.8Very high15 Ų1543.6 Ų43.68%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-133.3147.1178.862.3-35.4000110.9K150 E159 D175 I176K150-N157 WeakPolarHBondContact CB-OD1 3.3Å; K150-N157 WeakPolarHBondContact CG-OD1 3.37Å; K150-N157 PolarHBondContact N-O 2.9Å; K150-N157 PolarHBondContact O-N 2.88Å; K150-N157 VanDerWaalsContact O-O 3.13Å; K150-N157 PolarHBondContact O-OD1 3.42Å; N157-E159 WeakPolarHBondContact ND2-CG 3.26Å; N157-E159 PolarHBondContact ND2-OE1 2.88Å; N157-D175 PolarHBondContact ND2-OD2 3.41Å; N157-I176 CarbonylContact C-O 3.45Å; N157-I176 VanDerWaalsContact CA-O 3.31Å; N157-I176 WeakPolarHBondContact CA-O 3.45Å
158L94.8Very high90.3Very high0 Ų051.8 Ų51.80%026%0.258CS..EExtended strand (participates in β ladder)trans-96.7109.8164.9-179.366.1000107L147 I160 D175 I176 L178 V185 V202 V204L147-L158 HydrophobicContact CB-CD1 4.34Å; L158-I160 HydrophobicContact CG-CD1 4.26Å; L158-I160 WeakPolarHBondContact O-CD1 3.49Å; L158-D175 CarbonylContact O-C 3.59Å; L158-D175 VanDerWaalsContact O-CA 3.25Å; L158-D175 WeakPolarHBondContact O-CA 3.38Å; L158-I176 HydrophobicContact CB-CB 4.29Å; L158-I176 PolarHBondContact N-O 3.34Å; L158-I176 PolarHBondContact O-N 2.84Å; L158-L178 HydrophobicContact CB-CD1 4Å; L158-L178 HydrophobicContact CB-CD2 4.18Å; L158-L178 HydrophobicContact CB-CG 4.1Å; L158-V185 HydrophobicContact CD1-CG1 3.91Å; L158-V202 HydrophobicContact CD2-CG1 3.79Å; L158-V202 HydrophobicContact CD2-CG2 4.46Å; L158-V204 HydrophobicContact CD2-CG2 4.02Å
159E94.8Very high89.9Confident12 Ų1253.3 Ų53.36%0.05627%0.268CS..EExtended strand (participates in β ladder)trans-91.3129.7175.8-67.4-179.415900109.6A148 K150 N157 Y161 D175A148-E159 PolarHBondContact N-O 2.92Å; A148-E159 PolarHBondContact O-N 2.88Å; K150-E159 HydrophobicContact CB-CG 4.46Å; K150-E159 HydrophobicContact CD-CG 4.29Å; K150-E159 WeakPolarHBondContact CD-OE1 3.41Å; K150-E159 VanDerWaalsContact CD-OE2 3.28Å; K150-E159 WeakPolarHBondContact CD-OE2 3.3Å; K150-E159 WeakPolarHBondContact CE-OE1 3.07Å; K150-E159 IonicContact NZ-OE1 3.86Å; K150-E159 PolarHBondContact NZ-OE1 2.55Å; K150-E159 IonicContact NZ-OE2 3.56Å; N157-E159 WeakPolarHBondContact ND2-CG 3.26Å; N157-E159 PolarHBondContact ND2-OE1 2.88Å; E159-Y161 HydrophobicContact CB-CD2 4.01Å; E159-Y161 HydrophobicContact CB-CE2 3.44Å; E159-Y161 VanDerWaalsContact CB-CE2 3.44Å; E159-Y161 HydrophobicContact CG-CE2 4.41Å; E159-Y161 WeakPolarHBondContact OE2-CE2 3.44Å; E159-Y161 VanDerWaalsContact OE2-CZ 3.29Å; E159-Y161 PolarHBondContact OE2-OH 2.8Å; E159-D175 HydrophobicContact CG-CB 4.07Å
160I95Very high89.7Confident0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-101.8108.2175.1-61.175.3000107.1L145 L147 L158 H173 H174 I176 L216L145-I160 HydrophobicContact CB-CG2 4.34Å; L145-I160 HydrophobicContact CD1-CG2 4.36Å; L145-I160 HydrophobicContact CD2-CG2 4.19Å; L147-I160 HydrophobicContact CD2-CG1 3.92Å; L147-I160 HydrophobicContact CD2-CG2 4.32Å; L158-I160 HydrophobicContact CG-CD1 4.26Å; L158-I160 WeakPolarHBondContact O-CD1 3.49Å; I160-H173 PolarHBondContact O-N 2.93Å; I160-H174 WeakPolarHBondContact CD1-NE2 3.37Å; I160-H174 PolarHBondContact N-O 2.83Å; I160-I176 HydrophobicContact CD1-CD1 4.01Å; I160-I176 HydrophobicContact CD1-CG1 4.02Å; I160-L216 HydrophobicContact CD1-CD2 4.42Å; I160-L216 HydrophobicContact CG1-CD2 3.82Å
161Y94.4Very high89.5Confident31 Ų3159 Ų5912%0.12229%0.293CS..EExtended strand (participates in β ladder)trans-95141.9176.4-67.8-100.7000110.7L145 I146 A148 E159 M170 Y171 V172 L452L145-Y161 CarbonylContact C-O 3.52Å; L145-Y161 VanDerWaalsContact CA-O 3.29Å; L145-Y161 WeakPolarHBondContact CA-O 3.33Å; I146-Y161 PolarHBondContact N-O 3.27Å; I146-Y161 PolarHBondContact O-N 3.41Å; A148-Y161 HydrophobicContact CB-CD2 4.18Å; A148-Y161 HydrophobicContact CB-CE2 3.93Å; E159-Y161 HydrophobicContact CB-CD2 4.01Å; E159-Y161 HydrophobicContact CB-CE2 3.44Å; E159-Y161 VanDerWaalsContact CB-CE2 3.44Å; E159-Y161 HydrophobicContact CG-CE2 4.41Å; E159-Y161 WeakPolarHBondContact OE2-CE2 3.44Å; E159-Y161 VanDerWaalsContact OE2-CZ 3.29Å; E159-Y161 PolarHBondContact OE2-OH 2.8Å; Y161-M170 HydrophobicContact CD1-CE 3.23Å; Y161-M170 HydrophobicContact CD1-CG 4.03Å; Y161-M170 HydrophobicContact CD1-SD 4.21Å; Y161-M170 HydrophobicContact CD2-CE 4.17Å; Y161-M170 HydrophobicContact CE1-CE 3.75Å; Y161-M170 HydrophobicContact CG-CE 3.45Å; Y161-M170 VanDerWaalsContact CG-CE 3.45Å; Y161-Y171 CarbonylContact C-O 3.57Å; Y161-Y171 VanDerWaalsContact CA-O 3.24Å; Y161-Y171 WeakPolarHBondContact CA-O 3.46Å; Y161-V172 HydrophobicContact CD1-CB 4.5Å; Y161-V172 HydrophobicContact CD1-CG2 3.68Å; Y161-V172 HydrophobicContact CE1-CB 4.45Å; Y161-V172 HydrophobicContact CE1-CG2 3.24Å; Y161-V172 HydrophobicContact CE2-CG2 4.16Å; Y161-V172 HydrophobicContact CG-CG2 4.34Å; Y161-V172 VanDerWaalsContact CZ-CG2 3.49Å; Y161-L452 HydrophobicContact CD1-CD2 4.48Å; Y161-L452 HydrophobicContact CD2-CD2 3.58Å; Y161-L452 HydrophobicContact CE1-CD2 4.47Å; Y161-L452 HydrophobicContact CE2-CD2 3.64Å; Y161-L452 HydrophobicContact CG-CD2 4.03Å
162I93.1Very high89.6Confident0 Ų061.3 Ų61.30%031%0.307CS..EExtended strand (participates in β ladder)trans-92.4132.3163.6-73.1171.3000108I139 D143 L145 M170 Y171 H173I139-I162 HydrophobicContact CG1-CD1 3.99Å; D143-I162 HydrophobicContact CB-CG2 3.94Å; L145-I162 HydrophobicContact CD2-CG1 3.63Å; I162-M170 VanDerWaalsContact O-CA 3.27Å; I162-M170 WeakPolarHBondContact O-CA 3.08Å; I162-Y171 HydrophobicContact CB-CD1 4.5Å; I162-Y171 HydrophobicContact CB-CE1 4.04Å; I162-Y171 HydrophobicContact CB-CE2 4.32Å; I162-Y171 HydrophobicContact CD1-CE2 3.96Å; I162-Y171 HydrophobicContact CG2-CE1 3.85Å; I162-Y171 PolarHBondContact N-O 3.24Å; I162-Y171 PolarHBondContact O-N 2.85Å; I162-H173 HydrophobicContact CD1-CB 3.76Å; I162-H173 WeakPolarHBondContact CD1-CD2 3.16Å; I162-H173 HydrophobicContact CG1-CB 3.99Å
163Y93.8Very high89.7Confident21 Ų2159.3 Ų59.38%0.08230%0.298CS..EExtended strand (participates in β ladder)trans-121.4115.6171.9176.7-110.8000110.2W10 N144 I146 M170 L439 V442 I454W10-Y163 AromaticContact CH2-CD1 4Å; W10-Y163 HydrophobicContact CH2-CD1 4Å; W10-Y163 HydrophobicContact CH2-CG 4.42Å; W10-Y163 HydrophobicContact CZ3-CD1 4.01Å; W10-Y163 HydrophobicContact CZ3-CG 4.48Å; N144-Y163 PolarHBondContact N-O 3.4Å; N144-Y163 PolarHBondContact O-N 2.79Å; I146-Y163 HydrophobicContact CD1-CG 4.34Å; Y163-M170 HydrophobicContact CD2-CB 4.29Å; Y163-L439 HydrophobicContact CE1-CD1 3.9Å; Y163-V442 HydrophobicContact CE1-CG1 3.75Å; Y163-V442 HydrophobicContact CE1-CG2 4.39Å; Y163-I454 HydrophobicContact CD2-CD1 3.26Å; Y163-I454 HydrophobicContact CD2-CG2 4.48Å; Y163-I454 HydrophobicContact CE2-CD1 3.77Å; Y163-I454 HydrophobicContact CE2-CG2 4Å; Y163-I454 HydrophobicContact CG-CD1 3.69Å
164N90.2Very high90.1Very high5 Ų552.6 Ų52.63%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-106.3115.8173.8-172.1-53.1000109.5D143 E166 E167 E168 S169D143-N164 PolarHBondContact OD1-ND2 2.68Å; N164-E166 WeakPolarHBondContact OD1-CB 2.99Å; N164-E166 PolarHBondContact OD1-N 3.21Å; N164-E167 HydrophobicContact CB-CB 4.45Å; N164-E167 PolarHBondContact OD1-N 3.39Å; N164-E168 WeakPolarHBondContact O-CA 3.28Å; N164-E168 PolarHBondContact O-N 2.98Å; N164-E168 VanDerWaalsContact O-N 3.13Å; N164-S169 PolarHBondContact N-O 3.37Å; N164-S169 PolarHBondContact O-N 3.48Å; N164-S169 VanDerWaalsContact O-N 3.14Å
165S86.8Confident90.7Very high33 Ų3348.3 Ų48.323%0.23125%0.246CC..THydrogen-bonded Turntrans-76.7-23-177.861.30000114.5R13R13-S165 PolarHBondContact NH2-OG 3.45Å
166E85.5Confident91Very high151 Ų15144.5 Ų44.571%0.70622%0.22SC*.THydrogen-bonded Turntrans-78.6-35.5-178.7-61.9-175.1178.100111.2N164N164-E166 WeakPolarHBondContact OD1-CB 2.99Å; N164-E166 PolarHBondContact OD1-N 3.21Å
167E85.1Confident91Very high118 Ų11849.4 Ų49.455%0.55124%0.244SC*.THydrogen-bonded Turntrans-92-5.4177.7-63.9175.1-16800112.6K140 N164 S169K140-E167 IonicContact NZ-OE1 3.8Å; K140-E167 PolarHBondContact NZ-OE1 3.27Å; N164-E167 HydrophobicContact CB-CB 4.45Å; N164-E167 PolarHBondContact OD1-N 3.39Å; E167-S169 PolarHBondContact O-N 2.96Å; E167-S169 VanDerWaalsContact O-N 3.13Å; E167-S169 PolarHBondContact OE2-OG 3.48Å
168E84.6Confident90.9Very high171 Ų17149.4 Ų49.480%0.79924%0.244SC*.THydrogen-bonded Turntrans49.233.1-170.3-65.1179.7-173.700112.5N164N164-E168 WeakPolarHBondContact O-CA 3.28Å; N164-E168 PolarHBondContact O-N 2.98Å; N164-E168 VanDerWaalsContact O-N 3.13Å
169S88.5Confident90.5Very high32 Ų3253.9 Ų53.922%0.22427%0.273CS..EExtended strand (participates in β ladder)trans-106.3146.9-173.568.20000111.3N164 E167N164-S169 PolarHBondContact N-O 3.37Å; N164-S169 PolarHBondContact O-N 3.48Å; N164-S169 VanDerWaalsContact O-N 3.14Å; E167-S169 PolarHBondContact O-N 2.96Å; E167-S169 VanDerWaalsContact O-N 3.13Å; E167-S169 PolarHBondContact OE2-OG 3.48Å
170M90.9Very high90.3Very high65 Ų6554.1 Ų54.132%0.3228%0.277SS..EExtended strand (participates in β ladder)trans-147.6131.5177.5-177.8-164.2-172.300109.8I146 Y161 I162 Y163 L452 I454I146-M170 HydrophobicContact CD1-CE 4.03Å; Y161-M170 HydrophobicContact CD1-CE 3.23Å; Y161-M170 HydrophobicContact CD1-CG 4.03Å; Y161-M170 HydrophobicContact CD1-SD 4.21Å; Y161-M170 HydrophobicContact CD2-CE 4.17Å; Y161-M170 HydrophobicContact CE1-CE 3.75Å; Y161-M170 HydrophobicContact CG-CE 3.45Å; Y161-M170 VanDerWaalsContact CG-CE 3.45Å; I162-M170 VanDerWaalsContact O-CA 3.27Å; I162-M170 WeakPolarHBondContact O-CA 3.08Å; Y163-M170 HydrophobicContact CD2-CB 4.29Å; M170-L452 HydrophobicContact CE-CD2 3.21Å; M170-L452 HydrophobicContact CE-CG 3.81Å; M170-I454 HydrophobicContact CB-CD1 4.32Å; M170-I454 HydrophobicContact CE-CD1 3.72Å; M170-I454 HydrophobicContact CE-CG1 4.02Å; M170-I454 HydrophobicContact CG-CD1 3.9Å; M170-I454 HydrophobicContact SD-CD1 3.3Å; M170-I454 WeakPolarHBondContact SD-CD1 3.43Å; M170-I454 HydrophobicContact SD-CG1 3.76Å
171Y90.7Very high90.2Very high91 Ų9157.2 Ų57.236%0.35729%0.289SS..EExtended strand (participates in β ladder)trans-148.9158.3176.759.6-83000110.8D136 Y161 I162D136-Y171 PolarHBondContact O-OH 2.95Å; Y161-Y171 CarbonylContact C-O 3.57Å; Y161-Y171 VanDerWaalsContact CA-O 3.24Å; Y161-Y171 WeakPolarHBondContact CA-O 3.46Å; I162-Y171 HydrophobicContact CB-CD1 4.5Å; I162-Y171 HydrophobicContact CB-CE1 4.04Å; I162-Y171 HydrophobicContact CB-CE2 4.32Å; I162-Y171 HydrophobicContact CD1-CE2 3.96Å; I162-Y171 HydrophobicContact CG2-CE1 3.85Å; I162-Y171 PolarHBondContact N-O 3.24Å; I162-Y171 PolarHBondContact O-N 2.85Å
172V91.5Very high90.2Very high62 Ų6255.8 Ų55.838%0.37628%0.283SS..EExtended strand (participates in β ladder)trans-76.6121.4171.8-179.10000107.3Y161Y161-V172 HydrophobicContact CD1-CB 4.5Å; Y161-V172 HydrophobicContact CD1-CG2 3.68Å; Y161-V172 HydrophobicContact CE1-CB 4.45Å; Y161-V172 HydrophobicContact CE1-CG2 3.24Å; Y161-V172 HydrophobicContact CE2-CG2 4.16Å; Y161-V172 HydrophobicContact CG-CG2 4.34Å; Y161-V172 VanDerWaalsContact CZ-CG2 3.49Å
173H90.8Very high90.3Very high20 Ų2057.7 Ų57.79%0.09329%0.294CS..EExtended strand (participates in β ladder)trans-82.5-45.7174.7-178.4-80.5000111.1F137 I160 I162F137-H173 AromaticContact CD1-CE1 3.91Å; F137-H173 AromaticContact CD1-NE2 3.96Å; F137-H173 AromaticContact CD2-CE1 3.69Å; F137-H173 AromaticContact CD2-NE2 3.76Å; F137-H173 AromaticContact CE1-CE1 3.79Å; F137-H173 AromaticContact CE2-CE1 3.56Å; F137-H173 AromaticContact CG-CE1 3.89Å; F137-H173 AromaticContact CG-NE2 3.7Å; F137-H173 AromaticContact CZ-CE1 3.64Å; F137-H173 PolarHBondContact O-NE2 2.92Å; I160-H173 PolarHBondContact O-N 2.93Å; I162-H173 HydrophobicContact CD1-CB 3.76Å; I162-H173 WeakPolarHBondContact CD1-CD2 3.16Å; I162-H173 HydrophobicContact CG1-CB 3.99Å
174H90.6Very high90.3Very high11 Ų1157 Ų575%0.05129%0.292CS..EExtended strand (participates in β ladder)trans-159.9164.9176.562.8-74.4000109.8I160 V219I160-H174 WeakPolarHBondContact CD1-NE2 3.37Å; I160-H174 PolarHBondContact N-O 2.83Å; H174-V219 HydrophobicContact CB-CG1 3.68Å; H174-V219 HydrophobicContact CB-CG2 4.09Å
175D92.4Very high90.6Very high73 Ų7357.4 Ų57.439%0.3929%0.294SS..EExtended strand (participates in β ladder)trans-129.9155.3172.269.1-32000111.7N157 L158 E159N157-D175 PolarHBondContact ND2-OD2 3.41Å; L158-D175 CarbonylContact O-C 3.59Å; L158-D175 VanDerWaalsContact O-CA 3.25Å; L158-D175 WeakPolarHBondContact O-CA 3.38Å; E159-D175 HydrophobicContact CG-CB 4.07Å
176I92.2Very high91Very high3 Ų357 Ų572%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-121.2126.1179.4-59.5174.2000107.3N157 L158 I160 L178 W214N157-I176 CarbonylContact C-O 3.45Å; N157-I176 VanDerWaalsContact CA-O 3.31Å; N157-I176 WeakPolarHBondContact CA-O 3.45Å; L158-I176 HydrophobicContact CB-CB 4.29Å; L158-I176 PolarHBondContact N-O 3.34Å; L158-I176 PolarHBondContact O-N 2.84Å; I160-I176 HydrophobicContact CD1-CD1 4.01Å; I160-I176 HydrophobicContact CD1-CG1 4.02Å; I176-L178 PolarHBondContact O-N 2.98Å; I176-W214 HydrophobicContact CD1-CB 4.21Å; I176-W214 HydrophobicContact CG2-CD2 3.79Å; I176-W214 HydrophobicContact CG2-CE3 3.45Å; I176-W214 VanDerWaalsContact CG2-CE3 3.45Å; I176-W214 HydrophobicContact CG2-CH2 3.95Å; I176-W214 HydrophobicContact CG2-CZ2 4.28Å; I176-W214 HydrophobicContact CG2-CZ3 3.52Å
177L91.6Very high91.5Very high124 Ų12450.9 Ų50.965%0.64926%0.259SS*.EExtended strand (participates in β ladder)trans-72.8124.2176.3-67.8174.6000109.9
178L91.6Very high91.8Very high15 Ų1545.3 Ų45.38%0.07923%0.233CC..  trans-98.9142.1-180-63.5179.3000110.7C156 L158 I176 A180 P182 V204 W214C156-L178 HydrophobicContact CB-CB 4.13Å; C156-L178 PolarHBondContact O-N 3.5Å; L158-L178 HydrophobicContact CB-CD1 4Å; L158-L178 HydrophobicContact CB-CD2 4.18Å; L158-L178 HydrophobicContact CB-CG 4.1Å; I176-L178 PolarHBondContact O-N 2.98Å; L178-A180 PolarHBondContact O-N 3.32Å; L178-P182 HydrophobicContact CD1-CB 3.67Å; L178-P182 HydrophobicContact CD1-CG 3.81Å; L178-V204 HydrophobicContact CD1-CG1 4.05Å; L178-V204 HydrophobicContact CD2-CG1 4.3Å; L178-V204 HydrophobicContact CD2-CG2 4.49Å; L178-W214 HydrophobicContact CD2-CZ2 4.16Å
179P86.9Confident92Very high93 Ų9338.1 Ų38.160%0.60420%0.2SC*.SBendtrans-70.7-17.5-179.328.9-36.1000113.4
180A90.8Very high91.7Very high17 Ų1738.5 Ų38.514%0.1420%0.198CC..SBendtrans-154.6168.2-176.900000111.6L178 P182 N206 T208L178-A180 PolarHBondContact O-N 3.32Å; A180-P182 WeakPolarHBondContact O-CD 3.19Å; A180-N206 HydrophobicContact CB-CB 4.08Å; A180-T208 HydrophobicContact CB-CG2 3.6Å
181Y92.4Very high91.2Very high66 Ų6637.3 Ų37.326%0.25919%0.193SC..  trans-56.6116.8-179.8-168.9-85.1000111.7T6 T151 C156 L183 N206 M207T6-Y181 HydrophobicContact CG2-CD1 4.42Å; T6-Y181 HydrophobicContact CG2-CE1 3.51Å; T6-Y181 HydrophobicContact CG2-CE2 4.06Å; T6-Y181 WeakPolarHBondContact CG2-OH 3.43Å; T151-Y181 HydrophobicContact CG2-CD2 3.64Å; T151-Y181 HydrophobicContact CG2-CE2 3.65Å; T151-Y181 WeakPolarHBondContact OG1-CD2 3.25Å; T151-Y181 WeakPolarHBondContact OG1-CE2 3.31Å; C156-Y181 VanDerWaalsContact SG-CA 3.58Å; Y181-L183 HydrophobicContact CD1-CD2 3.77Å; Y181-L183 HydrophobicContact CD1-CG 4.33Å; Y181-L183 HydrophobicContact CE1-CD2 3.85Å; Y181-N206 CarbonylContact O-C 3.52Å; Y181-N206 VanDerWaalsContact O-CA 3.22Å; Y181-N206 WeakPolarHBondContact O-CA 3.24Å; Y181-N206 VanDerWaalsContact O-CB 3.31Å; Y181-N206 WeakPolarHBondContact O-CB 3.47Å; Y181-M207 HydrophobicContact CD1-CE 4.05Å; Y181-M207 HydrophobicContact CD1-CG 4.34Å; Y181-M207 HydrophobicContact CG-CG 4.41Å; Y181-M207 PolarHBondContact O-N 2.92Å; Y181-M207 VanDerWaalsContact O-N 3.1Å
182P94.8Very high90.4Very high0 Ų035.2 Ų35.20%019%0.191CC..EExtended strand (participates in β ladder)trans-72136.3179.427.2-31.8000110.5T6 L178 A180 V204T6-P182 VanDerWaalsContact CB-O 3.28Å; T6-P182 WeakPolarHBondContact CB-O 3.31Å; T6-P182 PolarHBondContact OG1-O 2.93Å; L178-P182 HydrophobicContact CD1-CB 3.67Å; L178-P182 HydrophobicContact CD1-CG 3.81Å; A180-P182 WeakPolarHBondContact O-CD 3.19Å; P182-V204 HydrophobicContact CB-CG1 4.29Å
183L94.2Very high89.7Confident41 Ų4137.1 Ų37.122%0.21520%0.199CC..EExtended strand (participates in β ladder)trans-115-34.2178.6-69.1176.9000112.1C7 Y181 G205 M207 A255 V256 L257C7-L183 WeakPolarHBondContact CB-O 3.26Å; Y181-L183 HydrophobicContact CD1-CD2 3.77Å; Y181-L183 HydrophobicContact CD1-CG 4.33Å; Y181-L183 HydrophobicContact CE1-CD2 3.85Å; L183-G205 PolarHBondContact N-O 3.45Å; L183-M207 HydrophobicContact CD1-CE 4.3Å; L183-M207 HydrophobicContact CD1-CG 4.27Å; L183-M207 HydrophobicContact CD1-SD 3.85Å; L183-M207 HydrophobicContact CD2-CE 3.88Å; L183-M207 HydrophobicContact CD2-SD 4.49Å; L183-M207 HydrophobicContact CG-CE 4.47Å; L183-M207 HydrophobicContact CG-SD 4.49Å; L183-A255 HydrophobicContact CD1-CB 4.2Å; L183-V256 WeakPolarHBondContact CD1-O 3.4Å; L183-L257 HydrophobicContact CD1-CD2 3.74Å
184C95.1Very high88.7Confident7 Ų741 Ų415%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-149.5154.117858.60000111.3G205 L257 D258C184-G205 PolarHBondContact N-O 2.84Å; C184-G205 PolarHBondContact O-N 3.24Å; C184-L257 WeakPolarHBondContact CB-O 3.43Å; C184-D258 VanDerWaalsContact SG-C 3.59Å; C184-D258 WeakPolarHBondContact SG-CA 3.31Å
185V96.1Very high87.2Confident13 Ų1347.5 Ų47.58%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-134.5138.5174.6-67.90000108.9C7 L147 L158 V202 A203 V204C7-V185 HydrophobicContact CB-CG2 4.35Å; L147-V185 HydrophobicContact CB-CG2 4.43Å; L158-V185 HydrophobicContact CD1-CG1 3.91Å; V185-V202 HydrophobicContact CB-CG2 4.18Å; V185-V202 HydrophobicContact CG1-CG2 4.47Å; V185-A203 WeakPolarHBondContact CA-O 3.4Å; V185-V204 HydrophobicContact CG1-CG1 4.41Å; V185-V204 HydrophobicContact CG1-CG2 4.24Å
186E96Very high85.3Confident25 Ų2553.3 Ų53.312%0.11728%0.281CS..EExtended strand (participates in β ladder)trans-138.7125.7175.6-179.567.8-166.700109.6L188 A203 L259 W261 K263E186-L188 HydrophobicContact CG-CD2 4.29Å; E186-A203 PolarHBondContact N-O 2.87Å; E186-A203 PolarHBondContact O-N 3.15Å; E186-L259 HydrophobicContact CB-CB 3.88Å; E186-W261 HydrophobicContact CG-CB 3.71Å; E186-K263 IonicContact OE1-NZ 3.61Å; E186-K263 PolarHBondContact OE1-NZ 2.91Å
187W94.8Very high83.9Confident22 Ų2257 Ų578%0.08332%0.32CS..EExtended strand (participates in β ladder)trans-80.2138.3177.9171.377.6000111.9V11 V15 D189 N200 W261 K263V11-W187 HydrophobicContact CG1-CD2 4.41Å; V11-W187 HydrophobicContact CG1-CG 4.38Å; V11-W187 HydrophobicContact CG2-CB 4.46Å; V11-W187 HydrophobicContact CG2-CG 4.05Å; V15-W187 HydrophobicContact CB-CZ2 4.36Å; V15-W187 HydrophobicContact CG1-CH2 4.49Å; V15-W187 HydrophobicContact CG1-CZ2 3.49Å; V15-W187 VanDerWaalsContact CG1-CZ2 3.49Å; V15-W187 HydrophobicContact CG2-CH2 4.36Å; V15-W187 HydrophobicContact CG2-CZ2 4.07Å; W187-D189 HydrophobicContact CH2-CB 3.62Å; W187-D189 HydrophobicContact CZ2-CB 3.64Å; W187-D189 HydrophobicContact CZ3-CB 4.5Å; W187-N200 PolarHBondContact NE1-OD1 3.31Å; W187-W261 HydrophobicContact CZ3-CZ3 4.43Å; W187-K263 PolarHBondContact O-NZ 3.19Å
188L91.4Very high82.9Confident0 Ų058 Ų580%032%0.315CS..EExtended strand (participates in β ladder)trans-127.4137.1-173.6-46.6177000110.7E186 Y201 A203 V213 W261 L269 L283E186-L188 HydrophobicContact CG-CD2 4.29Å; L188-Y201 PolarHBondContact N-O 2.87Å; L188-Y201 PolarHBondContact O-N 2.97Å; L188-Y201 VanDerWaalsContact O-N 3.08Å; L188-A203 HydrophobicContact CD1-CB 3.79Å; L188-A203 HydrophobicContact CG-CB 4.34Å; L188-V213 HydrophobicContact CD1-CG1 4.22Å; L188-W261 HydrophobicContact CD2-CB 3.29Å; L188-W261 HydrophobicContact CD2-CD2 3.68Å; L188-W261 HydrophobicContact CD2-CE3 4.23Å; L188-W261 HydrophobicContact CD2-CG 3.17Å; L188-L269 HydrophobicContact CD2-CD1 4.04Å; L188-L283 HydrophobicContact CD1-CD1 4.33Å
189D88.1Confident82.5Confident21 Ų2157.8 Ų57.811%0.11232%0.315CS..  trans-10621.3171.779.812.3000114.4W187 R198 A199 W261 R266W187-D189 HydrophobicContact CH2-CB 3.62Å; W187-D189 HydrophobicContact CZ2-CB 3.64Å; W187-D189 HydrophobicContact CZ3-CB 4.5Å; D189-R198 HydrophobicContact CB-CG 4.29Å; D189-R198 IonicContact OD2-CZ 2.97Å; D189-R198 IonicContact OD2-NE 2.67Å; D189-R198 PolarHBondContact OD2-NE 3.14Å; D189-R198 IonicContact OD2-NH2 2.69Å; D189-R198 PolarHBondContact OD2-NH2 2.62Å; D189-A199 WeakPolarHBondContact CA-O 3.34Å; D189-W261 HydrophobicContact CB-CH2 4.26Å; D189-W261 WeakPolarHBondContact OD1-CH2 3.5Å; D189-R266 WeakPolarHBondContact OD1-CD 3.47Å; D189-R266 IonicContact OD1-NE 3.8Å; D189-R266 PolarHBondContact OD1-NE 2.76Å; D189-R266 IonicContact OD2-NE 3.32Å
190F83.7Confident82.6Confident39 Ų3953.4 Ų53.417%0.17129%0.287CS..  trans-109.1123.2-176.6178.9-97.9000112.4P192 Y201 W261 R266 N267 L283 A284F190-P192 HydrophobicContact CD1-CG 4.34Å; F190-P192 HydrophobicContact CE1-CB 4.26Å; F190-P192 HydrophobicContact CE1-CG 3.98Å; F190-Y201 VanDerWaalsContact O-CD2 3.28Å; F190-Y201 WeakPolarHBondContact O-CD2 3.19Å; F190-W261 HydrophobicContact CB-CZ2 4.27Å; F190-R266 HydrophobicContact CB-CB 4.29Å; F190-R266 VanDerWaalsContact CB-O 3.25Å; F190-R266 WeakPolarHBondContact CB-O 3.15Å; F190-R266 HydrophobicContact CD2-CB 3.77Å; F190-R266 HydrophobicContact CG-CB 4.38Å; F190-R266 WeakPolarHBondContact CG-O 3.31Å; F190-N267 HydrophobicContact CD2-CB 4.42Å; F190-N267 HydrophobicContact CE1-CB 4.2Å; F190-N267 HydrophobicContact CE2-CB 3.88Å; F190-N267 HydrophobicContact CZ-CB 3.76Å; F190-L283 HydrophobicContact CB-CD1 4.43Å; F190-L283 HydrophobicContact CD1-CB 3.58Å; F190-L283 HydrophobicContact CD1-CD1 3.84Å; F190-L283 HydrophobicContact CD1-CG 4.37Å; F190-L283 HydrophobicContact CE1-CB 3.54Å; F190-L283 HydrophobicContact CG-CD1 4.44Å; F190-A284 HydrophobicContact CE1-CB 4.49Å; F190-A284 HydrophobicContact CZ-CB 4.08Å
191D79.5Confident82.7Confident41 Ų4153.7 Ų53.722%0.21928%0.284CS..  trans-102.2119.7170.6-175.3-4.6000110.3N193 P194 A199 Y201D191-N193 VanDerWaalsContact CG-C 3.49Å; D191-N193 PolarHBondContact O-N 3.32Å; D191-N193 VanDerWaalsContact OD1-C 3.3Å; D191-N193 PolarHBondContact OD1-N 3.35Å; D191-N193 VanDerWaalsContact OD2-O 3.08Å; D191-P194 VanDerWaalsContact OD2-CA 3.28Å; D191-P194 WeakPolarHBondContact OD2-CA 3.43Å; D191-A199 HydrophobicContact CB-CB 3.73Å; D191-Y201 HydrophobicContact CB-CE2 3.92Å
192P74.6Confident82.8Confident47 Ų4750.5 Ų50.531%0.30527%0.272SS..SBendtrans-61-27.3172.4-21.632.8000114.2F190 F226 L283F190-P192 HydrophobicContact CD1-CG 4.34Å; F190-P192 HydrophobicContact CE1-CB 4.26Å; F190-P192 HydrophobicContact CE1-CG 3.98Å; P192-F226 HydrophobicContact CG-CD1 4.32Å; P192-F226 HydrophobicContact CG-CE1 3.71Å; P192-F226 HydrophobicContact CG-CZ 3.87Å; P192-L283 WeakPolarHBondContact CG-O 3.46Å
193N75.5Confident82.9Confident102 Ų10250.5 Ų50.555%0.54527%0.272SS..SBendtrans-131.175.8-179.1-172.931.3000111D191 Q195D191-N193 VanDerWaalsContact CG-C 3.49Å; D191-N193 PolarHBondContact O-N 3.32Å; D191-N193 VanDerWaalsContact OD1-C 3.3Å; D191-N193 PolarHBondContact OD1-N 3.35Å; D191-N193 VanDerWaalsContact OD2-O 3.08Å; N193-Q195 PolarHBondContact ND2-NE2 2.85Å; N193-Q195 WeakPolarHBondContact O-CG 3.34Å; N193-Q195 PolarHBondContact O-N 2.89Å
194P69.8Low82.9Confident102 Ų10248.6 Ų48.666%0.66226%0.262SS*.  trans-60.2105-171.124.8-33.9000111.4D191D191-P194 VanDerWaalsContact OD2-CA 3.28Å; D191-P194 WeakPolarHBondContact OD2-CA 3.43Å
195Q59.1Low82.9Confident147 Ų14748.2 Ų48.269%0.68726%0.259SS*.  trans-87.7-40.5177.6-67.8-83.1-31.300111.4N193N193-Q195 PolarHBondContact ND2-NE2 2.85Å; N193-Q195 WeakPolarHBondContact O-CG 3.34Å; N193-Q195 PolarHBondContact O-N 2.89Å
196E54.2Low82.8Confident195 Ų19547.7 Ų47.791%0.91126%0.256SS*.SBendtrans174139.8164-107.3166.3-174.500108.7
197G61.9Low82.5Confident80 Ų8051.4 Ų51.483%0.82528%0.275SS*.SBendtrans103.2-178.1176.100000115.7
198R71Confident82.3Confident145 Ų14552.6 Ų52.655%0.54728%0.284SS..  trans-92.5126.5174.8-172.1176.8-170.6176.2-0107.5D189D189-R198 HydrophobicContact CB-CG 4.29Å; D189-R198 IonicContact OD2-CZ 2.97Å; D189-R198 IonicContact OD2-NE 2.67Å; D189-R198 PolarHBondContact OD2-NE 3.14Å; D189-R198 IonicContact OD2-NH2 2.69Å; D189-R198 PolarHBondContact OD2-NH2 2.62Å
199A82.1Confident82.2Confident11 Ų1153 Ų539%0.09129%0.287CS..  trans-65.5145.2-177.100000111.8D189 D191 Y201D189-A199 WeakPolarHBondContact CA-O 3.34Å; D191-A199 HydrophobicContact CB-CB 3.73Å; A199-Y201 HydrophobicContact CB-CD2 3.64Å; A199-Y201 HydrophobicContact CB-CE2 3.64Å
200N90.3Very high82.4Confident1 Ų152.9 Ų52.91%0.00529%0.286CS..  trans-128.169.6175.4-169.626.7000110.2V15 A16 W187 L216 D217V15-N200 HydrophobicContact CG1-CB 4.22Å; A16-N200 WeakPolarHBondContact CA-ND2 2.96Å; W187-N200 PolarHBondContact NE1-OD1 3.31Å; N200-L216 WeakPolarHBondContact ND2-CB 3.3Å; N200-L216 WeakPolarHBondContact O-CB 3.46Å; N200-L216 PolarHBondContact O-N 2.81Å; N200-D217 VanDerWaalsContact CB-OD2 3.31Å; N200-D217 WeakPolarHBondContact CB-OD2 3.2Å; N200-D217 PolarHBondContact ND2-OD1 3.34Å
201Y92.4Very high82.8Confident22 Ų2251 Ų519%0.08628%0.277CS..EExtended strand (participates in β ladder)trans-101.2154.5-178.3-65.4-62.1000112L188 F190 D191 A199 V213 W214 D215 V225L188-Y201 PolarHBondContact N-O 2.87Å; L188-Y201 PolarHBondContact O-N 2.97Å; L188-Y201 VanDerWaalsContact O-N 3.08Å; F190-Y201 VanDerWaalsContact O-CD2 3.28Å; F190-Y201 WeakPolarHBondContact O-CD2 3.19Å; D191-Y201 HydrophobicContact CB-CE2 3.92Å; A199-Y201 HydrophobicContact CB-CD2 3.64Å; A199-Y201 HydrophobicContact CB-CE2 3.64Å; Y201-V213 HydrophobicContact CD1-CG1 4.36Å; Y201-V213 HydrophobicContact CG-CG1 4.16Å; Y201-W214 CarbonylContact C-O 3.49Å; Y201-W214 VanDerWaalsContact CA-O 3.3Å; Y201-W214 WeakPolarHBondContact CA-O 3.4Å; Y201-W214 WeakPolarHBondContact CD1-O 3.4Å; Y201-D215 HydrophobicContact CD1-CB 3.95Å; Y201-D215 HydrophobicContact CE1-CB 3.65Å; Y201-D215 VanDerWaalsContact CE1-CG 3.46Å; Y201-D215 VanDerWaalsContact CE1-OD2 3.28Å; Y201-D215 WeakPolarHBondContact CE1-OD2 3.36Å; Y201-V225 HydrophobicContact CD1-CG2 4.36Å; Y201-V225 HydrophobicContact CE1-CB 4.47Å; Y201-V225 HydrophobicContact CE1-CG1 4.39Å; Y201-V225 HydrophobicContact CE1-CG2 3.92Å
202V94.9Very high83.5Confident0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-120.8127.3167.2600000109.8L147 L158 V185 V204 V213 W214 L216L147-V202 HydrophobicContact CD1-CB 3.99Å; L147-V202 HydrophobicContact CD1-CG2 3.65Å; L158-V202 HydrophobicContact CD2-CG1 3.79Å; L158-V202 HydrophobicContact CD2-CG2 4.46Å; V185-V202 HydrophobicContact CB-CG2 4.18Å; V185-V202 HydrophobicContact CG1-CG2 4.47Å; V202-V204 HydrophobicContact CG1-CG2 4.36Å; V202-V204 HydrophobicContact CG2-CG2 4.1Å; V202-V213 CarbonylContact O-C 3.17Å; V202-V213 VanDerWaalsContact O-CA 3.3Å; V202-V213 WeakPolarHBondContact O-CA 3.36Å; V202-W214 HydrophobicContact CG1-CB 3.8Å; V202-W214 PolarHBondContact N-O 3Å; V202-W214 PolarHBondContact O-N 2.79Å; V202-L216 HydrophobicContact CB-CD1 4.16Å; V202-L216 HydrophobicContact CB-CD2 4.11Å; V202-L216 HydrophobicContact CB-CG 4.15Å; V202-L216 HydrophobicContact CG1-CD1 4.48Å; V202-L216 HydrophobicContact CG1-CD2 3.59Å; V202-L216 HydrophobicContact CG1-CG 3.95Å
203A95.5Very high84.4Confident0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-89.6128164.800000109.7V185 E186 L188 I211 V213 L259 L269V185-A203 WeakPolarHBondContact CA-O 3.4Å; E186-A203 PolarHBondContact N-O 2.87Å; E186-A203 PolarHBondContact O-N 3.15Å; L188-A203 HydrophobicContact CD1-CB 3.79Å; L188-A203 HydrophobicContact CG-CB 4.34Å; A203-I211 HydrophobicContact CB-CG2 4.08Å; A203-V213 HydrophobicContact CB-CG2 4.09Å; A203-L259 HydrophobicContact CB-CD1 3.93Å; A203-L269 HydrophobicContact CB-CD2 4.03Å
204V96.2Very high85.2Confident0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-113.2120.7179.6-175.40000108.8L158 L178 P182 V185 V202 D212L158-V204 HydrophobicContact CD2-CG2 4.02Å; L178-V204 HydrophobicContact CD1-CG1 4.05Å; L178-V204 HydrophobicContact CD2-CG1 4.3Å; L178-V204 HydrophobicContact CD2-CG2 4.49Å; P182-V204 HydrophobicContact CB-CG1 4.29Å; V185-V204 HydrophobicContact CG1-CG1 4.41Å; V185-V204 HydrophobicContact CG1-CG2 4.24Å; V202-V204 HydrophobicContact CG1-CG2 4.36Å; V202-V204 HydrophobicContact CG2-CG2 4.1Å; V204-D212 PolarHBondContact N-O 2.87Å; V204-D212 PolarHBondContact O-N 2.96Å; V204-D212 VanDerWaalsContact O-N 3.12Å
205G94.5Very high86.2Confident0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-94.9132.6168.300000109.4L183 C184L183-G205 PolarHBondContact N-O 3.45Å; C184-G205 PolarHBondContact N-O 2.84Å; C184-G205 PolarHBondContact O-N 3.24Å
206N92.9Very high87.7Confident1 Ų131.8 Ų31.81%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-131.3-175.4-175.961.635.3000111.1A180 Y181 T208 Q210 D212 V256A180-N206 HydrophobicContact CB-CB 4.08Å; Y181-N206 CarbonylContact O-C 3.52Å; Y181-N206 VanDerWaalsContact O-CA 3.22Å; Y181-N206 WeakPolarHBondContact O-CA 3.24Å; Y181-N206 VanDerWaalsContact O-CB 3.31Å; Y181-N206 WeakPolarHBondContact O-CB 3.47Å; N206-T208 PolarHBondContact O-N 2.84Å; N206-T208 VanDerWaalsContact O-N 3.09Å; N206-T208 VanDerWaalsContact O-O 3.11Å; N206-T208 WeakPolarHBondContact OD1-CA 3.39Å; N206-T208 WeakPolarHBondContact OD1-CB 3.01Å; N206-T208 WeakPolarHBondContact OD1-CG2 3.35Å; N206-T208 PolarHBondContact OD1-N 2.89Å; N206-T208 PolarHBondContact OD1-O 2.96Å; N206-T208 PolarHBondContact OD1-OG1 2.73Å; N206-Q210 PolarHBondContact OD1-O 3.4Å; N206-D212 PolarHBondContact ND2-OD2 3.21Å; N206-V256 PolarHBondContact O-N 2.89Å
207M90.9Very high89.2Confident104 Ų10423.5 Ų23.551%0.51213%0.133SC..SBendtrans-65.2-5.9177.1-73.9-72-170.500114.4Y181 L183 A255Y181-M207 HydrophobicContact CD1-CE 4.05Å; Y181-M207 HydrophobicContact CD1-CG 4.34Å; Y181-M207 HydrophobicContact CG-CG 4.41Å; Y181-M207 PolarHBondContact O-N 2.92Å; Y181-M207 VanDerWaalsContact O-N 3.1Å; L183-M207 HydrophobicContact CD1-CE 4.3Å; L183-M207 HydrophobicContact CD1-CG 4.27Å; L183-M207 HydrophobicContact CD1-SD 3.85Å; L183-M207 HydrophobicContact CD2-CE 3.88Å; L183-M207 HydrophobicContact CD2-SD 4.49Å; L183-M207 HydrophobicContact CG-CE 4.47Å; L183-M207 HydrophobicContact CG-SD 4.49Å; M207-A255 HydrophobicContact SD-CB 4.21Å
208T91Very high90.3Very high46 Ų4621 Ų2128%0.28210%0.102SC..SBendtrans-92.6162.6174.586.80000110.4A180 N206 Q210A180-T208 HydrophobicContact CB-CG2 3.6Å; N206-T208 PolarHBondContact O-N 2.84Å; N206-T208 VanDerWaalsContact O-N 3.09Å; N206-T208 VanDerWaalsContact O-O 3.11Å; N206-T208 WeakPolarHBondContact OD1-CA 3.39Å; N206-T208 WeakPolarHBondContact OD1-CB 3.01Å; N206-T208 WeakPolarHBondContact OD1-CG2 3.35Å; N206-T208 PolarHBondContact OD1-N 2.89Å; N206-T208 PolarHBondContact OD1-O 2.96Å; N206-T208 PolarHBondContact OD1-OG1 2.73Å; T208-Q210 PolarHBondContact O-N 3.38Å; T208-Q210 PolarHBondContact OG1-N 3.27Å
209P89.4Confident91.1Very high9 Ų914.3 Ų14.36%0.0588%0.077CC..SBendtrans-74.31.617531.3-36.3000114.4K232 H252 D254P209-K232 HydrophobicContact CG-CD 4.49Å; P209-K232 HydrophobicContact CG-CG 4.16Å; P209-H252 HydrophobicContact CB-CB 4.16Å; P209-H252 VanDerWaalsContact CB-O 3.28Å; P209-H252 WeakPolarHBondContact CB-O 3.25Å; P209-D254 WeakPolarHBondContact CA-O 3.09Å
210Q90.5Very high91.1Very high18 Ų1817.6 Ų17.68%0.0849%0.093CC..  trans-99.4144.7-177.7-174.3171.8-49.500110.2N206 T208 D212 S227 L228N206-Q210 PolarHBondContact OD1-O 3.4Å; T208-Q210 PolarHBondContact O-N 3.38Å; T208-Q210 PolarHBondContact OG1-N 3.27Å; Q210-D212 PolarHBondContact NE2-OD1 3.01Å; Q210-S227 PolarHBondContact NE2-OG 3.29Å; Q210-L228 WeakPolarHBondContact CA-O 3.42Å
211I93.5Very high90.7Very high0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans-108.2122.5172-56.5160000106.7A203 S227 L228 V256 L259 L269 W281A203-I211 HydrophobicContact CB-CG2 4.08Å; I211-S227 CarbonylContact O-C 3.54Å; I211-S227 VanDerWaalsContact O-CA 3.29Å; I211-S227 WeakPolarHBondContact O-CA 3.42Å; I211-L228 HydrophobicContact CB-CB 4.21Å; I211-L228 PolarHBondContact N-O 3.45Å; I211-L228 PolarHBondContact O-N 2.95Å; I211-V256 HydrophobicContact CD1-CG1 4.47Å; I211-V256 HydrophobicContact CG1-CB 4.45Å; I211-V256 HydrophobicContact CG1-CG1 4.16Å; I211-V256 HydrophobicContact CG1-CG2 3.91Å; I211-L259 HydrophobicContact CD1-CD2 3.77Å; I211-L259 HydrophobicContact CG1-CD2 4.16Å; I211-L259 HydrophobicContact CG2-CD1 3.92Å; I211-L259 HydrophobicContact CG2-CD2 4.16Å; I211-L269 HydrophobicContact CG2-CD2 4.46Å; I211-W281 HydrophobicContact CD1-CZ2 4.13Å
212D93.3Very high90.2Very high4 Ų422 Ų222%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-101.9129.9-178.2-64.3-44000109.7V204 N206 Q210 P224 S227V204-D212 PolarHBondContact N-O 2.87Å; V204-D212 PolarHBondContact O-N 2.96Å; V204-D212 VanDerWaalsContact O-N 3.12Å; N206-D212 PolarHBondContact ND2-OD2 3.21Å; Q210-D212 PolarHBondContact NE2-OD1 3.01Å; D212-P224 HydrophobicContact CB-CB 4.08Å; D212-P224 HydrophobicContact CB-CG 4.35Å; D212-S227 WeakPolarHBondContact OD1-CB 3.34Å; D212-S227 PolarHBondContact OD1-OG 2.97Å
213V93.3Very high89.8Confident0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-108.1120.9177.8-174.20000109.7L188 Y201 V202 A203 P224 V225 F226L188-V213 HydrophobicContact CD1-CG1 4.22Å; Y201-V213 HydrophobicContact CD1-CG1 4.36Å; Y201-V213 HydrophobicContact CG-CG1 4.16Å; V202-V213 CarbonylContact O-C 3.17Å; V202-V213 VanDerWaalsContact O-CA 3.3Å; V202-V213 WeakPolarHBondContact O-CA 3.36Å; A203-V213 HydrophobicContact CB-CG2 4.09Å; V213-P224 WeakPolarHBondContact O-CB 3.3Å; V213-V225 PolarHBondContact O-N 3.34Å; V213-F226 HydrophobicContact CB-CD1 4.21Å; V213-F226 HydrophobicContact CB-CD2 4.07Å; V213-F226 HydrophobicContact CB-CE1 3.88Å; V213-F226 HydrophobicContact CB-CE2 3.74Å; V213-F226 HydrophobicContact CB-CG 4.3Å; V213-F226 HydrophobicContact CB-CZ 3.65Å; V213-F226 WeakPolarHBondContact CB-O 3.36Å; V213-F226 HydrophobicContact CG1-CD1 4.4Å; V213-F226 HydrophobicContact CG1-CE1 3.67Å; V213-F226 HydrophobicContact CG1-CE2 4.16Å; V213-F226 HydrophobicContact CG1-CZ 3.54Å; V213-F226 HydrophobicContact CG2-CD2 3.97Å; V213-F226 HydrophobicContact CG2-CE1 4.43Å; V213-F226 HydrophobicContact CG2-CE2 3.42Å; V213-F226 VanDerWaalsContact CG2-CE2 3.42Å; V213-F226 HydrophobicContact CG2-CZ 3.7Å; V213-F226 PolarHBondContact N-O 3.3Å
214W93.2Very high89.5Confident4 Ų430.2 Ų30.22%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-113.7145.3-175.7-57.383.6000110.5I176 L178 Y201 V202 P224I176-W214 HydrophobicContact CD1-CB 4.21Å; I176-W214 HydrophobicContact CG2-CD2 3.79Å; I176-W214 HydrophobicContact CG2-CE3 3.45Å; I176-W214 VanDerWaalsContact CG2-CE3 3.45Å; I176-W214 HydrophobicContact CG2-CH2 3.95Å; I176-W214 HydrophobicContact CG2-CZ2 4.28Å; I176-W214 HydrophobicContact CG2-CZ3 3.52Å; L178-W214 HydrophobicContact CD2-CZ2 4.16Å; Y201-W214 CarbonylContact C-O 3.49Å; Y201-W214 VanDerWaalsContact CA-O 3.3Å; Y201-W214 WeakPolarHBondContact CA-O 3.4Å; Y201-W214 WeakPolarHBondContact CD1-O 3.4Å; V202-W214 HydrophobicContact CG1-CB 3.8Å; V202-W214 PolarHBondContact N-O 3Å; V202-W214 PolarHBondContact O-N 2.79Å; W214-P224 HydrophobicContact CD2-CB 4.03Å; W214-P224 HydrophobicContact CE3-CB 4.31Å; W214-P224 HydrophobicContact CH2-CB 4.42Å; W214-P224 HydrophobicContact CZ2-CB 4.11Å; W214-P224 HydrophobicContact CZ2-CG 4.38Å
215D90.6Very high89.1Confident28 Ų2834 Ų3415%0.1518%0.184CC..EExtended strand (participates in β ladder)trans-83.1124.9171.1-156-31.8000109.5Y201 D217 V218 V225Y201-D215 HydrophobicContact CD1-CB 3.95Å; Y201-D215 HydrophobicContact CE1-CB 3.65Å; Y201-D215 VanDerWaalsContact CE1-CG 3.46Å; Y201-D215 VanDerWaalsContact CE1-OD2 3.28Å; Y201-D215 WeakPolarHBondContact CE1-OD2 3.36Å; D215-D217 VanDerWaalsContact C-N 3.33Å; D215-D217 PolarHBondContact OD1-N 3.26Å; D215-V218 HydrophobicContact CB-CB 4.08Å; D215-V218 HydrophobicContact CB-CG2 3.81Å; D215-V225 HydrophobicContact CB-CG2 3.83Å
216L89.7Confident88.8Confident0 Ų036 Ų360%019%0.192CC..THydrogen-bonded Turntrans-84.1-13.9177.4-64.5173.1000112.3V11 L147 I160 N200 V202 V218V11-L216 HydrophobicContact CG2-CD1 3.88Å; L147-L216 HydrophobicContact CD1-CD1 4Å; L147-L216 HydrophobicContact CD2-CD1 3.85Å; L147-L216 HydrophobicContact CD2-CD2 3.58Å; L147-L216 HydrophobicContact CD2-CG 4.39Å; I160-L216 HydrophobicContact CD1-CD2 4.42Å; I160-L216 HydrophobicContact CG1-CD2 3.82Å; N200-L216 WeakPolarHBondContact ND2-CB 3.3Å; N200-L216 WeakPolarHBondContact O-CB 3.46Å; N200-L216 PolarHBondContact O-N 2.81Å; V202-L216 HydrophobicContact CB-CD1 4.16Å; V202-L216 HydrophobicContact CB-CD2 4.11Å; V202-L216 HydrophobicContact CB-CG 4.15Å; V202-L216 HydrophobicContact CG1-CD1 4.48Å; V202-L216 HydrophobicContact CG1-CD2 3.59Å; V202-L216 HydrophobicContact CG1-CG 3.95Å; L216-V218 VanDerWaalsContact C-N 3.28Å
217D87.2Confident88.6Confident20 Ų2038 Ų3811%0.10721%0.207CC..THydrogen-bonded Turntrans-904.7176.4-64.1-25.1000111.7A16 K17 P20 D21 N200 D215A16-D217 WeakPolarHBondContact CA-OD1 3.34Å; K17-D217 HydrophobicContact CB-CB 3.82Å; K17-D217 VanDerWaalsContact CB-CG 3.47Å; K17-D217 HydrophobicContact CD-CB 4.44Å; K17-D217 PolarHBondContact N-OD1 2.88Å; P20-D217 CarbonylContact C-O 3.59Å; P20-D217 WeakPolarHBondContact CA-O 3.43Å; P20-D217 WeakPolarHBondContact CB-O 3.17Å; D21-D217 PolarHBondContact N-O 2.7Å; N200-D217 VanDerWaalsContact CB-OD2 3.31Å; N200-D217 WeakPolarHBondContact CB-OD2 3.2Å; N200-D217 PolarHBondContact ND2-OD1 3.34Å; D215-D217 VanDerWaalsContact C-N 3.33Å; D215-D217 PolarHBondContact OD1-N 3.26Å
218V85.1Confident88.4Confident28 Ų2833 Ų3317%0.1718%0.182CC..EExtended strand (participates in β ladder)trans-120.3125.9177.7-177.40000109.8D21 V23 D215 L216 C221D21-V218 CarbonylContact O-C 3.39Å; D21-V218 WeakPolarHBondContact O-CA 3.43Å; V23-V218 HydrophobicContact CG2-CG1 3.33Å; D215-V218 HydrophobicContact CB-CB 4.08Å; D215-V218 HydrophobicContact CB-CG2 3.81Å; L216-V218 VanDerWaalsContact C-N 3.28Å; V218-C221 HydrophobicContact CG1-CB 4.15Å
219V86.4Confident88Confident5 Ų532.1 Ų32.13%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-105.5150.5-179.5-178.20000110.4P20 D21 V23 F137 H174 C221P20-V219 HydrophobicContact CB-CG2 3.66Å; P20-V219 HydrophobicContact CG-CG2 4.44Å; D21-V219 PolarHBondContact O-N 3.28Å; V23-V219 PolarHBondContact N-O 2.94Å; V23-V219 VanDerWaalsContact N-O 3.14Å; F137-V219 HydrophobicContact CE1-CG2 4.26Å; F137-V219 HydrophobicContact CE2-CG1 4.37Å; F137-V219 HydrophobicContact CZ-CB 3.92Å; F137-V219 HydrophobicContact CZ-CG1 3.93Å; F137-V219 HydrophobicContact CZ-CG2 3.64Å; H174-V219 HydrophobicContact CB-CG1 3.68Å; H174-V219 HydrophobicContact CB-CG2 4.09Å; V219-C221 PolarHBondContact O-N 3.13Å
220D81.7Confident87.4Confident79 Ų7934.3 Ų34.342%0.42220%0.197SC..SBendtrans60.926.9-175.3-58.1-33.5000113.6K22 L222K22-D220 WeakPolarHBondContact CE-OD2 3.3Å; D220-L222 PolarHBondContact O-N 2.72Å
221C83.4Confident86.1Confident21 Ų2140.7 Ų40.714%0.14223%0.225CC..  trans-69.1126.3173.459.30000111V218 V219V218-C221 HydrophobicContact CG1-CB 4.15Å; V219-C221 PolarHBondContact O-N 3.13Å
222L81.6Confident84.2Confident95 Ų9546.6 Ų46.650%0.49725%0.25SS..  trans-89.1-23.2177.9-65-178.9000113.3L25 I33 D220L25-L222 HydrophobicContact CD1-CD1 3.41Å; L25-L222 VanDerWaalsContact CD1-CD1 3.41Å; L25-L222 HydrophobicContact CD1-CG 4.28Å; I33-L222 HydrophobicContact CD1-CD1 3.93Å; I33-L222 HydrophobicContact CG2-CD1 4.41Å; D220-L222 PolarHBondContact O-N 2.72Å
223E86.4Confident81.9Confident134 Ų13450.7 Ų50.763%0.62629%0.285SS*.SBendtrans-129147.7-175.5-63.2-167.7132.200111.1
224P89.6Confident79.3Confident39 Ų3956.7 Ų56.725%0.25332%0.322SS..  trans-67.5151.1173.329.2-34.3000110.7D212 V213 W214 F226 S227D212-P224 HydrophobicContact CB-CB 4.08Å; D212-P224 HydrophobicContact CB-CG 4.35Å; V213-P224 WeakPolarHBondContact O-CB 3.3Å; W214-P224 HydrophobicContact CD2-CB 4.03Å; W214-P224 HydrophobicContact CE3-CB 4.31Å; W214-P224 HydrophobicContact CH2-CB 4.42Å; W214-P224 HydrophobicContact CZ2-CB 4.11Å; W214-P224 HydrophobicContact CZ2-CG 4.38Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 3.05Å; P224-S227 WeakPolarHBondContact CG-OG 3.46Å
225V87.4Confident76.6Confident80 Ų8066.3 Ų66.349%0.48536%0.363SS..SBendtrans-62.5-42.6178-175.80000110.5Y201 V213 D215Y201-V225 HydrophobicContact CD1-CG2 4.36Å; Y201-V225 HydrophobicContact CE1-CB 4.47Å; Y201-V225 HydrophobicContact CE1-CG1 4.39Å; Y201-V225 HydrophobicContact CE1-CG2 3.92Å; V213-V225 PolarHBondContact O-N 3.34Å; D215-V225 HydrophobicContact CB-CG2 3.83Å
226F87.4Confident73.9Confident41 Ų4173.8 Ų73.818%0.1840%0.395CS..EExtended strand (participates in β ladder)trans-156.4158.4170.461.3-87000110.1P192 V213 P224 L228 L283P192-F226 HydrophobicContact CG-CD1 4.32Å; P192-F226 HydrophobicContact CG-CE1 3.71Å; P192-F226 HydrophobicContact CG-CZ 3.87Å; V213-F226 HydrophobicContact CB-CD1 4.21Å; V213-F226 HydrophobicContact CB-CD2 4.07Å; V213-F226 HydrophobicContact CB-CE1 3.88Å; V213-F226 HydrophobicContact CB-CE2 3.74Å; V213-F226 HydrophobicContact CB-CG 4.3Å; V213-F226 HydrophobicContact CB-CZ 3.65Å; V213-F226 WeakPolarHBondContact CB-O 3.36Å; V213-F226 HydrophobicContact CG1-CD1 4.4Å; V213-F226 HydrophobicContact CG1-CE1 3.67Å; V213-F226 HydrophobicContact CG1-CE2 4.16Å; V213-F226 HydrophobicContact CG1-CZ 3.54Å; V213-F226 HydrophobicContact CG2-CD2 3.97Å; V213-F226 HydrophobicContact CG2-CE1 4.43Å; V213-F226 HydrophobicContact CG2-CE2 3.42Å; V213-F226 VanDerWaalsContact CG2-CE2 3.42Å; V213-F226 HydrophobicContact CG2-CZ 3.7Å; V213-F226 PolarHBondContact N-O 3.3Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 3.05Å; F226-L228 HydrophobicContact CD2-CD2 4.11Å; F226-L228 HydrophobicContact CD2-CG 4.4Å; F226-L228 HydrophobicContact CE2-CD2 4.17Å; F226-L228 HydrophobicContact CE2-CG 4.36Å; F226-L283 HydrophobicContact CE2-CD2 4.08Å; F226-L283 HydrophobicContact CZ-CD2 4.41Å
227S89.2Confident71.4Confident43 Ų4384 Ų8430%0.30144%0.439SS..EExtended strand (participates in β ladder)trans-127.1144177.6-56.50000110.8Q210 I211 D212 P224Q210-S227 PolarHBondContact NE2-OG 3.29Å; I211-S227 CarbonylContact O-C 3.54Å; I211-S227 VanDerWaalsContact O-CA 3.29Å; I211-S227 WeakPolarHBondContact O-CA 3.42Å; D212-S227 WeakPolarHBondContact OD1-CB 3.34Å; D212-S227 PolarHBondContact OD1-OG 2.97Å; P224-S227 WeakPolarHBondContact CG-OG 3.46Å
228L87.1Confident68.9Low0 Ų092.3 Ų92.30%047%0.474CS..EExtended strand (participates in β ladder)trans-107.2130.2178.5-52.3170.1000109.2Q210 I211 F226 L269 W281 L283Q210-L228 WeakPolarHBondContact CA-O 3.42Å; I211-L228 HydrophobicContact CB-CB 4.21Å; I211-L228 PolarHBondContact N-O 3.45Å; I211-L228 PolarHBondContact O-N 2.95Å; F226-L228 HydrophobicContact CD2-CD2 4.11Å; F226-L228 HydrophobicContact CD2-CG 4.4Å; F226-L228 HydrophobicContact CE2-CD2 4.17Å; F226-L228 HydrophobicContact CE2-CG 4.36Å; L228-L269 HydrophobicContact CD1-CD2 3.92Å; L228-W281 HydrophobicContact CB-CD2 4.05Å; L228-W281 HydrophobicContact CB-CE3 3.77Å; L228-W281 HydrophobicContact CB-CH2 4.25Å; L228-W281 HydrophobicContact CB-CZ3 3.88Å; L228-W281 HydrophobicContact CD1-CB 4.1Å; L228-W281 HydrophobicContact CD1-CD2 4.26Å; L228-W281 HydrophobicContact CD1-CG 4.07Å; L228-W281 HydrophobicContact CD2-CE3 4.4Å; L228-W281 HydrophobicContact CG-CE3 4.46Å; L228-L283 HydrophobicContact CD1-CD2 3.65Å
229G82.8Confident66.8Low26 Ų26100.9 Ų100.927%0.26851%0.509SS..SBendtrans101.4-174.4-178.100000113.2E250G229-E250 WeakPolarHBondContact CA-O 3.09Å
230S75.8Confident64.3Low56 Ų56105.5 Ų105.539%0.39254%0.542SS..  trans-121.2131.5-176.5-175.90000110.7K232S230-K232 PolarHBondContact O-N 3.25Å
231K62.8Low62.1Low152 Ų152111.3 Ų111.366%0.66156%0.563SS**  trans-58129169.2-63.8-172.4179.9176.60108.7A233K231-A233 PolarHBondContact O-N 3.17Å
232K55Low60.1Low123 Ų123120.8 Ų120.854%0.53560%0.602SS.*  trans-56.7111167.6-90.6173.9-177165.40107.7P209 S230 T234 T253 D254P209-K232 HydrophobicContact CG-CD 4.49Å; P209-K232 HydrophobicContact CG-CG 4.16Å; S230-K232 PolarHBondContact O-N 3.25Å; K232-T234 PolarHBondContact O-N 3.21Å; K232-T253 WeakPolarHBondContact CE-O 3.48Å; K232-T253 PolarHBondContact NZ-O 2.88Å; K232-D254 IonicContact NZ-OD1 3.66Å
233A43.6Very low58.2Low90 Ų90120.3 Ų120.374%0.74462%0.62SS**  trans-55.9114.3168.700000108K231 K235K231-A233 PolarHBondContact O-N 3.17Å; A233-K235 PolarHBondContact O-N 2.97Å
234T39Very low55.9Low127 Ų127118.5 Ų118.578%0.77963%0.628SS**  trans-55.1115.5172.246.70000106.7K232 K236K232-T234 PolarHBondContact O-N 3.21Å; T234-K236 PolarHBondContact O-N 3.02Å
235K36.9Very low53.3Low205 Ų205121.1 Ų121.189%0.89165%0.653SS**  trans-6783177.9-76.3-179-179.8167.80108.4A233 K237A233-K235 PolarHBondContact O-N 2.97Å; K235-K237 PolarHBondContact O-N 3.22Å
236K34.2Very low51.2Low185 Ų185121.9 Ų121.980%0.80467%0.668SS**  trans-53.5114.5156.8-84.1-174.7177.7173.90105.5T234 K238T234-K236 PolarHBondContact O-N 3.02Å; K236-K238 PolarHBondContact O-N 3.27Å
237K37.8Very low49Very low216 Ų216127.8 Ų127.894%0.93970%0.696SS**  trans-62.577.7176.7-88.6179.9177.7164.10109.3K235K235-K237 PolarHBondContact O-N 3.22Å
238K34.3Very low47.2Very low194 Ų194130.4 Ų130.484%0.84371%0.712SS**  trans-93.7102.4166.4-148.5170.1-172.9170.90107.7K236 S240K236-K238 PolarHBondContact O-N 3.27Å; K238-S240 PolarHBondContact O-N 3.44Å
239K40.9Very low45.8Very low207 Ų207134.5 Ų134.590%0.974%0.737SS**  trans-57.3103.6161.4-96.9179.1175.4170.80107.5
240S34.4Very low45.2Very low102 Ų102138.3 Ų138.371%0.71375%0.747SS**  trans171.8142.913251.40000113.8K238K238-S240 PolarHBondContact O-N 3.44Å
241K33.9Very low45.6Very low201 Ų201136.3 Ų136.387%0.87474%0.736SS**  trans73.2101.3162.1-74.3178.7176.11730119.3
242K42.3Very low46.8Very low221 Ų221129.1 Ų129.196%0.96170%0.704SS**SBendtrans-35.5131.2149.3-91.5176.4167176.70111.6
243G41.7Very low48.4Very low84 Ų84126.6 Ų126.687%0.86670%0.7SS**  trans132.413.2149.800000118.9
244A37.3Very low50.7Low96 Ų96125.3 Ų125.379%0.79368%0.68SS**PPolyproline II helixtrans-100.7122.216400000108.4A246A244-A246 PolarHBondContact O-N 3.27Å
245A36.3Very low53.3Low95 Ų95119.6 Ų119.679%0.78565%0.646SS**PPolyproline II helixtrans-55.5123.8165.500000106.9E247A245-E247 PolarHBondContact O-N 3.49Å
246A42.5Very low56.1Low96 Ų96109.8 Ų109.879%0.79360%0.603SS**PPolyproline II helixtrans-59.7126.9170.500000106.9A244A244-A246 PolarHBondContact O-N 3.27Å
247E42.2Very low59Low164 Ų164102.5 Ų102.577%0.76657%0.573SS**PPolyproline II helixtrans-47.5136.4169-70.8-64.9146.300108.5A245 V249A245-E247 PolarHBondContact O-N 3.49Å; E247-V249 PolarHBondContact O-N 3.28Å
248P51.2Low61.8Low99 Ų9992.8 Ų92.864%0.64353%0.531SS*.PPolyproline II helixtrans-58.4125.9177.725.1-31.5000108.2E250P248-E250 PolarHBondContact O-N 3.27Å
249V57.5Low64.7Low86 Ų8683.6 Ų83.652%0.52149%0.491SS..  trans-62.2107.5174.1179.60000107E247 G251 T253E247-V249 PolarHBondContact O-N 3.28Å; V249-G251 PolarHBondContact O-N 3.11Å; V249-T253 HydrophobicContact CG1-CG2 4.24Å
250E70.6Confident67.4Low105 Ų10574 Ų7449%0.49145%0.45SS..  trans-74.791.8174.3-69.7-168.3157.800107.9G229 P248 P288G229-E250 WeakPolarHBondContact CA-O 3.09Å; P248-E250 PolarHBondContact O-N 3.27Å; E250-P288 HydrophobicContact CB-CG 4.29Å
251G83.3Confident70.2Confident14 Ų1469.3 Ų69.314%0.14442%0.417CS..SBendtrans129.7-151.4174.800000115.2V249V249-G251 PolarHBondContact O-N 3.11Å
252H89.1Confident73Confident1 Ų159.9 Ų59.91%0.00538%0.376CS..  trans-73.8157.2177.9-75.5-56.4000112.3P209 S271 S273 D275 T277 V279P209-H252 HydrophobicContact CB-CB 4.16Å; P209-H252 VanDerWaalsContact CB-O 3.28Å; P209-H252 WeakPolarHBondContact CB-O 3.25Å; H252-S271 PolarHBondContact CD2-OG 3.18Å; H252-S271 PolarHBondContact NE2-OG 3.35Å; H252-S273 WeakPolarHBondContact CE1-CB 3.43Å; H252-S273 VanDerWaalsContact CG-CB 3.5Å; H252-S273 WeakPolarHBondContact ND1-CB 3.46Å; H252-D275 WeakPolarHBondContact CA-OD2 3.33Å; H252-D275 IonicContact CE1-OD1 3.83Å; H252-D275 IonicContact CG-OD2 2.87Å; H252-D275 IonicContact ND1-OD1 3.83Å; H252-D275 PolarHBondContact ND1-OD1 3.01Å; H252-D275 IonicContact ND1-OD2 3.9Å; H252-D275 PolarHBondContact ND1-OD2 2.94Å; H252-T277 PolarHBondContact CE1-O 3.06Å; H252-T277 PolarHBondContact CE1-OG1 3.36Å; H252-T277 PolarHBondContact ND1-OG1 2.83Å; H252-V279 VanDerWaalsContact CE1-CG2 3.44Å; H252-V279 WeakPolarHBondContact CE1-CG2 3.31Å
253T88.5Confident75.1Confident71 Ų7153.3 Ų53.344%0.43635%0.347SS..SBendtrans-113.6-1.3175.160.80000112.8K232 V249 D275K232-T253 WeakPolarHBondContact CE-O 3.48Å; K232-T253 PolarHBondContact NZ-O 2.88Å; V249-T253 HydrophobicContact CG1-CG2 4.24Å; T253-D275 PolarHBondContact N-OD2 3.45Å; T253-D275 WeakPolarHBondContact OG1-CB 3.46Å; T253-D275 PolarHBondContact OG1-OD2 3.18Å
254D91.3Very high77.4Confident62 Ų6253.2 Ų53.233%0.33233%0.326SS..SBendtrans-148.4179.4174.7-147.48000111.9P209 K232 S273 A274 D275P209-D254 WeakPolarHBondContact CA-O 3.09Å; K232-D254 IonicContact NZ-OD1 3.66Å; D254-S273 PolarHBondContact O-OG 3.28Å; D254-A274 HydrophobicContact CB-CB 4.09Å; D254-D275 HydrophobicContact CB-CB 4.04Å
255A93.5Very high79.9Confident7 Ų751.4 Ų51.46%0.05831%0.305CS..  trans-44.2142.2-178.300000114L183 M207 L257 S273 A274L183-A255 HydrophobicContact CD1-CB 4.2Å; M207-A255 HydrophobicContact SD-CB 4.21Å; A255-L257 HydrophobicContact CB-CD2 4.45Å; A255-S273 CarbonylContact O-C 3.58Å; A255-S273 WeakPolarHBondContact O-CA 3.15Å; A255-S273 WeakPolarHBondContact O-CB 3.29Å; A255-S273 PolarHBondContact O-OG 3.26Å; A255-A274 HydrophobicContact CB-CB 4.39Å; A255-A274 PolarHBondContact O-N 2.93Å
256V95.6Very high82.3Confident0 Ų051.3 Ų51.30%029%0.285CS..EExtended strand (participates in β ladder)trans-95.1114.5176.4-177.60000109.3L183 N206 I211 L259L183-V256 WeakPolarHBondContact CD1-O 3.4Å; N206-V256 PolarHBondContact O-N 2.89Å; I211-V256 HydrophobicContact CD1-CG1 4.47Å; I211-V256 HydrophobicContact CG1-CB 4.45Å; I211-V256 HydrophobicContact CG1-CG1 4.16Å; I211-V256 HydrophobicContact CG1-CG2 3.91Å; V256-L259 HydrophobicContact CG1-CD2 3.97Å; V256-L259 HydrophobicContact CG1-CG 4.22Å
257L95.2Very high84.5Confident32 Ų3249 Ų4917%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-90.3-36.2-170-57.2-180000112.6L183 C184 A255 G272 A274 K298 V299L183-L257 HydrophobicContact CD1-CD2 3.74Å; C184-L257 WeakPolarHBondContact CB-O 3.43Å; A255-L257 HydrophobicContact CB-CD2 4.45Å; L257-G272 PolarHBondContact N-O 2.82Å; L257-A274 HydrophobicContact CD1-CB 4.21Å; L257-A274 HydrophobicContact CD2-CB 4.5Å; L257-A274 HydrophobicContact CG-CB 4.44Å; L257-K298 HydrophobicContact CD1-CB 4Å; L257-V299 WeakPolarHBondContact CB-O 3.45Å; L257-V299 WeakPolarHBondContact CD1-O 3.31Å
258D96Very high86.9Confident12 Ų1242.8 Ų42.86%0.06423%0.232CC..EExtended strand (participates in β ladder)trans-147155.6178.6-163.210.4000110.9C184 G272 Q300 T301 L302 R303 R344C184-D258 VanDerWaalsContact SG-C 3.59Å; C184-D258 WeakPolarHBondContact SG-CA 3.31Å; D258-G272 PolarHBondContact N-O 3.12Å; D258-G272 PolarHBondContact O-N 2.63Å; D258-Q300 WeakPolarHBondContact CB-O 3.42Å; D258-T301 WeakPolarHBondContact OD2-CA 3.34Å; D258-T301 WeakPolarHBondContact OD2-CB 3.39Å; D258-T301 PolarHBondContact OD2-OG1 2.84Å; D258-L302 HydrophobicContact CB-CD2 4.03Å; D258-L302 HydrophobicContact CB-CG 4.41Å; D258-L302 WeakPolarHBondContact O-CD2 3.48Å; D258-L302 PolarHBondContact OD2-N 3.26Å; D258-R303 IonicContact OD1-CZ 2.71Å; D258-R303 IonicContact OD1-NH1 3.82Å; D258-R303 PolarHBondContact OD1-NH1 3.05Å; D258-R303 IonicContact OD1-NH2 2.77Å; D258-R303 IonicContact OD2-CZ 3.42Å; D258-R303 IonicContact OD2-NH1 3.94Å; D258-R303 PolarHBondContact OD2-NH1 2.92Å; D258-R344 IonicContact OD2-NH1 3.18Å
259L96.6Very high89Confident1 Ų138 Ų381%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-132.3142.9178.7-70.6171.1000108.7E186 A203 I211 V256 L269 A270 R303E186-L259 HydrophobicContact CB-CB 3.88Å; A203-L259 HydrophobicContact CB-CD1 3.93Å; I211-L259 HydrophobicContact CD1-CD2 3.77Å; I211-L259 HydrophobicContact CG1-CD2 4.16Å; I211-L259 HydrophobicContact CG2-CD1 3.92Å; I211-L259 HydrophobicContact CG2-CD2 4.16Å; V256-L259 HydrophobicContact CG1-CD2 3.97Å; V256-L259 HydrophobicContact CG1-CG 4.22Å; L259-L269 HydrophobicContact CD2-CD2 4.28Å; L259-L269 HydrophobicContact CD2-CG 4.48Å; L259-A270 WeakPolarHBondContact CA-O 3.3Å; L259-R303 PolarHBondContact O-NH1 3.27Å
260S95.8Very high90.8Very high4 Ų434 Ų343%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-144.4126.4171.7-169.60000110A270 L302 R303 F304S260-A270 PolarHBondContact N-O 2.88Å; S260-A270 PolarHBondContact O-N 3.16Å; S260-L302 VanDerWaalsContact CB-CD1 3.43Å; S260-L302 WeakPolarHBondContact CB-O 3.21Å; S260-R303 WeakPolarHBondContact OG-CA 3.46Å; S260-F304 VanDerWaalsContact O-CD2 3.29Å; S260-F304 WeakPolarHBondContact O-CD2 3.3Å; S260-F304 VanDerWaalsContact O-CE2 3.25Å; S260-F304 WeakPolarHBondContact O-CE2 3.45Å; S260-F304 PolarHBondContact OG-N 3.09Å; S260-F304 VanDerWaalsContact OG-N 3.08Å
261W94.6Very high92Very high4 Ų429 Ų292%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-100.2141-179.8178.961000111.8E186 W187 L188 D189 F190 K263 R266 L269E186-W261 HydrophobicContact CG-CB 3.71Å; W187-W261 HydrophobicContact CZ3-CZ3 4.43Å; L188-W261 HydrophobicContact CD2-CB 3.29Å; L188-W261 HydrophobicContact CD2-CD2 3.68Å; L188-W261 HydrophobicContact CD2-CE3 4.23Å; L188-W261 HydrophobicContact CD2-CG 3.17Å; D189-W261 HydrophobicContact CB-CH2 4.26Å; D189-W261 WeakPolarHBondContact OD1-CH2 3.5Å; F190-W261 HydrophobicContact CB-CZ2 4.27Å; W261-K263 HydrophobicContact CD2-CD 4.23Å; W261-K263 HydrophobicContact CE3-CD 3.31Å; W261-K263 VanDerWaalsContact CE3-NZ 3.29Å; W261-K263 HydrophobicContact CH2-CD 4.32Å; W261-K263 HydrophobicContact CZ3-CD 3.33Å; W261-K263 PolarHBondContact O-N 3.47Å; W261-R266 HydrophobicContact CZ2-CB 4.04Å; W261-R266 HydrophobicContact CZ2-CG 4.25Å; W261-R266 PolarHBondContact NE1-O 3.03Å; W261-L269 HydrophobicContact CB-CD1 3.78Å; W261-L269 HydrophobicContact CG-CD1 4.46Å
262N92.1Very high92.6Very high4 Ų428.3 Ų28.32%0.02115%0.146CC..  trans-81.1107.8-177.1-170.5-30.5000110.9L264 V265 V268 F304 A309N262-L264 PolarHBondContact O-N 3.04Å; N262-L264 VanDerWaalsContact O-N 3.12Å; N262-L264 WeakPolarHBondContact OD1-CB 3.39Å; N262-L264 PolarHBondContact OD1-N 3.33Å; N262-V265 WeakPolarHBondContact CB-O 3.47Å; N262-V265 CarbonylContact O-C 3.58Å; N262-V265 PolarHBondContact OD1-N 3.27Å; N262-V268 HydrophobicContact CB-CB 4.25Å; N262-V268 WeakPolarHBondContact CB-O 3.42Å; N262-V268 PolarHBondContact N-O 3.19Å; N262-V268 VanDerWaalsContact N-O 3.11Å; N262-F304 HydrophobicContact CB-CD1 4.29Å; N262-F304 HydrophobicContact CB-CD2 3.86Å; N262-F304 HydrophobicContact CB-CE1 4.38Å; N262-F304 HydrophobicContact CB-CE2 3.93Å; N262-F304 HydrophobicContact CB-CG 4.04Å; N262-F304 HydrophobicContact CB-CZ 4.2Å; N262-A309 PolarHBondContact ND2-O 2.99Å
263K86.9Confident92.8Very high82 Ų8228.2 Ų28.236%0.35715%0.146SC..SBendtrans-73.53.6179.9-47.4-53-165.9-161.80114E186 W187 W261 R266E186-K263 IonicContact OE1-NZ 3.61Å; E186-K263 PolarHBondContact OE1-NZ 2.91Å; W187-K263 PolarHBondContact O-NZ 3.19Å; W261-K263 HydrophobicContact CD2-CD 4.23Å; W261-K263 HydrophobicContact CE3-CD 3.31Å; W261-K263 VanDerWaalsContact CE3-NZ 3.29Å; W261-K263 HydrophobicContact CH2-CD 4.32Å; W261-K263 HydrophobicContact CZ3-CD 3.33Å; W261-K263 PolarHBondContact O-N 3.47Å; K263-R266 VanDerWaalsContact O-CZ 3.24Å; K263-R266 PolarHBondContact O-NH1 2.75Å; K263-R266 PolarHBondContact O-NH2 3.25Å
264L89.8Confident93.1Very high82 Ų8225.4 Ų25.443%0.42913%0.13SC..SBendtrans-112.5-48.8175.1-64.7171.5000110.8N262 R266 F307 A309N262-L264 PolarHBondContact O-N 3.04Å; N262-L264 VanDerWaalsContact O-N 3.12Å; N262-L264 WeakPolarHBondContact OD1-CB 3.39Å; N262-L264 PolarHBondContact OD1-N 3.33Å; L264-R266 PolarHBondContact O-NH1 3.44Å; L264-F307 WeakPolarHBondContact CD1-O 3.09Å; L264-A309 HydrophobicContact CB-CB 3.78Å; L264-A309 HydrophobicContact CD1-CB 4.08Å
265V89.8Confident93.1Very high58 Ų5823.6 Ų23.635%0.35212%0.12SC..SBendtrans-104.396175.6176.80000108.9N262 N267 V268 A309N262-V265 WeakPolarHBondContact CB-O 3.47Å; N262-V265 CarbonylContact O-C 3.58Å; N262-V265 PolarHBondContact OD1-N 3.27Å; V265-N267 VanDerWaalsContact C-N 3.27Å; V265-N267 WeakPolarHBondContact CG1-OD1 3.42Å; V265-N267 PolarHBondContact O-N 3.22Å; V265-V268 HydrophobicContact CG1-CB 4.32Å; V265-V268 HydrophobicContact CG1-CG2 3.69Å; V265-V268 PolarHBondContact O-N 2.98Å; V265-V268 VanDerWaalsContact O-N 3.16Å; V265-A309 HydrophobicContact CB-CB 4.49Å; V265-A309 HydrophobicContact CG2-CB 3.61Å
266R86.4Confident93.1Very high94 Ų9426 Ų2636%0.35513%0.132SC..THydrogen-bonded Turntrans-62-27-165.6-64.3-65.3-169.2-82.618.8115.2D189 F190 W261 K263 L264 V268D189-R266 WeakPolarHBondContact OD1-CD 3.47Å; D189-R266 IonicContact OD1-NE 3.8Å; D189-R266 PolarHBondContact OD1-NE 2.76Å; D189-R266 IonicContact OD2-NE 3.32Å; F190-R266 HydrophobicContact CB-CB 4.29Å; F190-R266 VanDerWaalsContact CB-O 3.25Å; F190-R266 WeakPolarHBondContact CB-O 3.15Å; F190-R266 HydrophobicContact CD2-CB 3.77Å; F190-R266 HydrophobicContact CG-CB 4.38Å; F190-R266 WeakPolarHBondContact CG-O 3.31Å; W261-R266 HydrophobicContact CZ2-CB 4.04Å; W261-R266 HydrophobicContact CZ2-CG 4.25Å; W261-R266 PolarHBondContact NE1-O 3.03Å; K263-R266 VanDerWaalsContact O-CZ 3.24Å; K263-R266 PolarHBondContact O-NH1 2.75Å; K263-R266 PolarHBondContact O-NH2 3.25Å; L264-R266 PolarHBondContact O-NH1 3.44Å; R266-V268 VanDerWaalsContact C-N 3.31Å; R266-V268 PolarHBondContact O-N 3.3Å
267N89Confident93Very high48 Ų4826.1 Ų26.126%0.25713%0.133SC..THydrogen-bonded Turntrans-84.4-1.5-178.466.5-52.5000113.7F190 V265 D282 L283F190-N267 HydrophobicContact CD2-CB 4.42Å; F190-N267 HydrophobicContact CE1-CB 4.2Å; F190-N267 HydrophobicContact CE2-CB 3.88Å; F190-N267 HydrophobicContact CZ-CB 3.76Å; V265-N267 VanDerWaalsContact C-N 3.27Å; V265-N267 WeakPolarHBondContact CG1-OD1 3.42Å; V265-N267 PolarHBondContact O-N 3.22Å; N267-D282 PolarHBondContact ND2-OD1 2.81Å; N267-L283 WeakPolarHBondContact O-CB 3.36Å; N267-L283 WeakPolarHBondContact O-CG 3.36Å; N267-L283 PolarHBondContact O-N 2.81Å
268V92.7Very high93Very high32 Ų3224.6 Ų24.619%0.19413%0.125CC..EExtended strand (participates in β ladder)trans-106.7122.7-174.5177.60000111.7N262 V265 R266 W281 F304N262-V268 HydrophobicContact CB-CB 4.25Å; N262-V268 WeakPolarHBondContact CB-O 3.42Å; N262-V268 PolarHBondContact N-O 3.19Å; N262-V268 VanDerWaalsContact N-O 3.11Å; V265-V268 HydrophobicContact CG1-CB 4.32Å; V265-V268 HydrophobicContact CG1-CG2 3.69Å; V265-V268 PolarHBondContact O-N 2.98Å; V265-V268 VanDerWaalsContact O-N 3.16Å; R266-V268 VanDerWaalsContact C-N 3.31Å; R266-V268 PolarHBondContact O-N 3.3Å; V268-W281 WeakPolarHBondContact CA-O 3.29Å; V268-F304 HydrophobicContact CG1-CE2 4.37Å; V268-F304 HydrophobicContact CG1-CZ 3.81Å
269L94.5Very high92.9Very high0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-116.3138.2171.4-179.968.7000109.4L188 A203 I211 L228 L259 W261 W281 L283L188-L269 HydrophobicContact CD2-CD1 4.04Å; A203-L269 HydrophobicContact CB-CD2 4.03Å; I211-L269 HydrophobicContact CG2-CD2 4.46Å; L228-L269 HydrophobicContact CD1-CD2 3.92Å; L259-L269 HydrophobicContact CD2-CD2 4.28Å; L259-L269 HydrophobicContact CD2-CG 4.48Å; W261-L269 HydrophobicContact CB-CD1 3.78Å; W261-L269 HydrophobicContact CG-CD1 4.46Å; L269-W281 HydrophobicContact CB-CB 4.35Å; L269-W281 PolarHBondContact N-O 3.49Å; L269-W281 VanDerWaalsContact N-O 3.14Å; L269-W281 PolarHBondContact O-N 3.4Å; L269-L283 HydrophobicContact CB-CD1 4.29Å; L269-L283 HydrophobicContact CB-CD2 4.01Å; L269-L283 HydrophobicContact CB-CG 4.18Å; L269-L283 HydrophobicContact CD2-CD2 4.18Å
270A95.3Very high92.7Very high0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-109.6142.9172.100000109.9L259 S260 V279 L280 L302 F304 L312L259-A270 WeakPolarHBondContact CA-O 3.3Å; S260-A270 PolarHBondContact N-O 2.88Å; S260-A270 PolarHBondContact O-N 3.16Å; A270-V279 WeakPolarHBondContact CA-O 3.49Å; A270-L280 HydrophobicContact CB-CD2 3.62Å; A270-L302 HydrophobicContact CB-CD1 3.45Å; A270-L302 VanDerWaalsContact CB-CD1 3.45Å; A270-L302 WeakPolarHBondContact O-CD1 3.49Å; A270-F304 HydrophobicContact CB-CD2 4.24Å; A270-F304 HydrophobicContact CB-CE2 3.36Å; A270-F304 HydrophobicContact CB-CZ 3.7Å; A270-L312 HydrophobicContact CB-CD1 4.11Å; A270-L312 HydrophobicContact CB-CD2 4Å
271S96Very high92.6Very high0 Ų024.4 Ų24.40%012%0.123CC..EExtended strand (participates in β ladder)trans-132.5145176.762.70000111.3H252 V278 V279 W281 L302H252-S271 PolarHBondContact CD2-OG 3.18Å; H252-S271 PolarHBondContact NE2-OG 3.35Å; S271-V278 CarbonylContact O-C 3.59Å; S271-V278 VanDerWaalsContact O-CA 3.26Å; S271-V278 WeakPolarHBondContact O-CA 3.37Å; S271-V278 WeakPolarHBondContact O-CG1 3.38Å; S271-V279 PolarHBondContact N-O 3.03Å; S271-V279 PolarHBondContact O-N 3.34Å; S271-V279 PolarHBondContact OG-O 2.9Å; S271-W281 PolarHBondContact OG-NE1 2.9Å; S271-L302 VanDerWaalsContact C-CD2 3.48Å
272G95.1Very high92.5Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-121134.5177.800000108.4L257 D258L257-G272 PolarHBondContact N-O 2.82Å; D258-G272 PolarHBondContact N-O 3.12Å; D258-G272 PolarHBondContact O-N 2.63Å
273S95.1Very high92.3Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-127.1162.5-172.1173.80000112.1H252 D254 A255 D275 D276 T277 V299H252-S273 WeakPolarHBondContact CE1-CB 3.43Å; H252-S273 VanDerWaalsContact CG-CB 3.5Å; H252-S273 WeakPolarHBondContact ND1-CB 3.46Å; D254-S273 PolarHBondContact O-OG 3.28Å; A255-S273 CarbonylContact O-C 3.58Å; A255-S273 WeakPolarHBondContact O-CA 3.15Å; A255-S273 WeakPolarHBondContact O-CB 3.29Å; A255-S273 PolarHBondContact O-OG 3.26Å; S273-D275 WeakPolarHBondContact CB-OD1 3.38Å; S273-D275 PolarHBondContact O-N 2.97Å; S273-D275 PolarHBondContact OG-N 2.74Å; S273-D275 VanDerWaalsContact OG-N 3.17Å; S273-D275 PolarHBondContact OG-OD1 2.96Å; S273-D276 PolarHBondContact O-N 3.48Å; S273-T277 PolarHBondContact N-O 2.85Å; S273-V299 PolarHBondContact O-N 3.3Å
274A94.6Very high92.3Very high11 Ų1124.4 Ų24.49%0.09114%0.136CC..THydrogen-bonded Turntrans-67.1-3.6167.200000113.8D254 A255 L257 D276 K298D254-A274 HydrophobicContact CB-CB 4.09Å; A255-A274 HydrophobicContact CB-CB 4.39Å; A255-A274 PolarHBondContact O-N 2.93Å; L257-A274 HydrophobicContact CD1-CB 4.21Å; L257-A274 HydrophobicContact CD2-CB 4.5Å; L257-A274 HydrophobicContact CG-CB 4.44Å; A274-D276 VanDerWaalsContact C-N 3.26Å; A274-D276 PolarHBondContact O-N 3.39Å; A274-K298 HydrophobicContact CB-CD 3.91Å; A274-K298 HydrophobicContact CB-CG 4.06Å
275D91.4Very high92Very high24 Ų2427.1 Ų27.113%0.12815%0.146CC..THydrogen-bonded Turntrans-87.115.2173.473.85.5000114.9H252 T253 D254 S273 T277H252-D275 WeakPolarHBondContact CA-OD2 3.33Å; H252-D275 IonicContact CE1-OD1 3.83Å; H252-D275 IonicContact CG-OD2 2.87Å; H252-D275 IonicContact ND1-OD1 3.83Å; H252-D275 PolarHBondContact ND1-OD1 3.01Å; H252-D275 IonicContact ND1-OD2 3.9Å; H252-D275 PolarHBondContact ND1-OD2 2.94Å; T253-D275 PolarHBondContact N-OD2 3.45Å; T253-D275 WeakPolarHBondContact OG1-CB 3.46Å; T253-D275 PolarHBondContact OG1-OD2 3.18Å; D254-D275 HydrophobicContact CB-CB 4.04Å; S273-D275 WeakPolarHBondContact CB-OD1 3.38Å; S273-D275 PolarHBondContact O-N 2.97Å; S273-D275 PolarHBondContact OG-N 2.74Å; S273-D275 VanDerWaalsContact OG-N 3.17Å; S273-D275 PolarHBondContact OG-OD1 2.96Å; D275-T277 WeakPolarHBondContact O-CG2 3.48Å; D275-T277 PolarHBondContact O-N 2.9Å; D275-T277 VanDerWaalsContact OD1-CB 3.3Å; D275-T277 WeakPolarHBondContact OD1-CB 3.4Å; D275-T277 PolarHBondContact OD1-N 2.87Å; D275-T277 PolarHBondContact OD1-OG1 3.42Å; D275-T277 PolarHBondContact OD2-OG1 3.25Å
276D93.3Very high91.7Very high57 Ų5725.8 Ų25.831%0.30514%0.144SC..SBendtrans669.9-179.3-42.1-32.2000114.4S273 A274 D297 K298S273-D276 PolarHBondContact O-N 3.48Å; A274-D276 VanDerWaalsContact C-N 3.26Å; A274-D276 PolarHBondContact O-N 3.39Å; D276-D297 WeakPolarHBondContact OD1-CA 3.39Å; D276-K298 PolarHBondContact OD1-N 2.87Å
277T92.7Very high91.6Very high4 Ų426.2 Ų26.23%0.02515%0.149CC..  trans-111.4154-17976.80000113.4H252 S273 D275 T291 L292 R293H252-T277 PolarHBondContact CE1-O 3.06Å; H252-T277 PolarHBondContact CE1-OG1 3.36Å; H252-T277 PolarHBondContact ND1-OG1 2.83Å; S273-T277 PolarHBondContact N-O 2.85Å; D275-T277 WeakPolarHBondContact O-CG2 3.48Å; D275-T277 PolarHBondContact O-N 2.9Å; D275-T277 VanDerWaalsContact OD1-CB 3.3Å; D275-T277 WeakPolarHBondContact OD1-CB 3.4Å; D275-T277 PolarHBondContact OD1-N 2.87Å; D275-T277 PolarHBondContact OD1-OG1 3.42Å; D275-T277 PolarHBondContact OD2-OG1 3.25Å; T277-T291 HydrophobicContact CG2-CG2 4.26Å; T277-L292 WeakPolarHBondContact CA-O 3.4Å; T277-R293 HydrophobicContact CG2-CG 3.94Å; T277-R293 VanDerWaalsContact CG2-NH1 3.33Å
278V94.8Very high91.6Very high0 Ų025.8 Ų25.80%015%0.148CC..EExtended strand (participates in β ladder)trans-112.2128.7165.5-1790000108S271 L292 V299 L312S271-V278 CarbonylContact O-C 3.59Å; S271-V278 VanDerWaalsContact O-CA 3.26Å; S271-V278 WeakPolarHBondContact O-CA 3.37Å; S271-V278 WeakPolarHBondContact O-CG1 3.38Å; V278-L292 HydrophobicContact CB-CB 4.11Å; V278-L292 HydrophobicContact CB-CD1 4.17Å; V278-L292 HydrophobicContact CB-CG 4.42Å; V278-L292 HydrophobicContact CG1-CD1 4.12Å; V278-L292 PolarHBondContact N-O 3.43Å; V278-L292 PolarHBondContact O-N 3.46Å; V278-V299 HydrophobicContact CG2-CB 4.33Å; V278-V299 HydrophobicContact CG2-CG1 3.84Å; V278-V299 HydrophobicContact CG2-CG2 3.96Å; V278-L312 HydrophobicContact CG1-CD2 3.94Å
279V93.9Very high91.4Very high0 Ų027.4 Ų27.40%017%0.165CC..EExtended strand (participates in β ladder)trans-113.6132.7178.6179.60000109.4H252 A270 S271 W281 P288 T291H252-V279 VanDerWaalsContact CE1-CG2 3.44Å; H252-V279 WeakPolarHBondContact CE1-CG2 3.31Å; A270-V279 WeakPolarHBondContact CA-O 3.49Å; S271-V279 PolarHBondContact N-O 3.03Å; S271-V279 PolarHBondContact O-N 3.34Å; S271-V279 PolarHBondContact OG-O 2.9Å; V279-W281 HydrophobicContact CB-CZ2 4.25Å; V279-W281 HydrophobicContact CG1-CD2 3.94Å; V279-W281 VanDerWaalsContact CG1-CE2 3.5Å; V279-W281 HydrophobicContact CG1-CG 4.33Å; V279-W281 HydrophobicContact CG1-CH2 4.44Å; V279-W281 HydrophobicContact CG1-CZ2 3.78Å; V279-P288 HydrophobicContact CG1-CB 3.72Å; V279-T291 HydrophobicContact CG2-CG2 4.05Å
280L93.9Very high91.1Very high11 Ų1129.8 Ų29.86%0.05818%0.18CC..EExtended strand (participates in β ladder)trans-95.8123167.6-59.9-177.3000108.4A270 A289 T290 F304 L312 C326A270-L280 HydrophobicContact CB-CD2 3.62Å; L280-A289 WeakPolarHBondContact O-CB 3.41Å; L280-A289 PolarHBondContact O-N 3.3Å; L280-T290 PolarHBondContact N-O 2.73Å; L280-T290 PolarHBondContact O-N 2.74Å; L280-F304 HydrophobicContact CD2-CZ 3.94Å; L280-L312 HydrophobicContact CD2-CD2 3.94Å; L280-C326 HydrophobicContact CD1-CB 3.87Å
281W93.3Very high90.9Very high1 Ų132.5 Ų32.50%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-103.7139.7-179.6-58.190.8000110.6I211 L228 V268 L269 S271 V279 P288I211-W281 HydrophobicContact CD1-CZ2 4.13Å; L228-W281 HydrophobicContact CB-CD2 4.05Å; L228-W281 HydrophobicContact CB-CE3 3.77Å; L228-W281 HydrophobicContact CB-CH2 4.25Å; L228-W281 HydrophobicContact CB-CZ3 3.88Å; L228-W281 HydrophobicContact CD1-CB 4.1Å; L228-W281 HydrophobicContact CD1-CD2 4.26Å; L228-W281 HydrophobicContact CD1-CG 4.07Å; L228-W281 HydrophobicContact CD2-CE3 4.4Å; L228-W281 HydrophobicContact CG-CE3 4.46Å; V268-W281 WeakPolarHBondContact CA-O 3.29Å; L269-W281 HydrophobicContact CB-CB 4.35Å; L269-W281 PolarHBondContact N-O 3.49Å; L269-W281 VanDerWaalsContact N-O 3.14Å; L269-W281 PolarHBondContact O-N 3.4Å; S271-W281 PolarHBondContact OG-NE1 2.9Å; V279-W281 HydrophobicContact CB-CZ2 4.25Å; V279-W281 HydrophobicContact CG1-CD2 3.94Å; V279-W281 VanDerWaalsContact CG1-CE2 3.5Å; V279-W281 HydrophobicContact CG1-CG 4.33Å; V279-W281 HydrophobicContact CG1-CH2 4.44Å; V279-W281 HydrophobicContact CG1-CZ2 3.78Å; W281-P288 HydrophobicContact CE3-CB 4.11Å; W281-P288 HydrophobicContact CH2-CB 4.46Å; W281-P288 HydrophobicContact CZ3-CB 3.99Å; W281-P288 HydrophobicContact CZ3-CG 4.27Å
282D91.1Very high90.6Very high28 Ų2832.9 Ų32.915%0.1520%0.198CC..EExtended strand (participates in β ladder)trans-97.1106.3164.7-1743.1000108.8N267 A284 Q285 G286 K287 A289N267-D282 PolarHBondContact ND2-OD1 2.81Å; D282-A284 PolarHBondContact O-N 2.95Å; D282-A284 WeakPolarHBondContact OD1-CB 3.28Å; D282-A284 PolarHBondContact OD1-N 3.13Å; D282-Q285 HydrophobicContact CB-CB 4.49Å; D282-Q285 PolarHBondContact O-N 2.95Å; D282-G286 PolarHBondContact O-N 2.82Å; D282-K287 PolarHBondContact N-O 2.98Å; D282-K287 PolarHBondContact O-N 3.12Å; D282-A289 HydrophobicContact CB-CB 4.48Å
283L88.6Confident90.3Very high4 Ų441.5 Ų41.52%0.02123%0.231CC..THydrogen-bonded Turntrans-63.5-26.4-178.9-63.1176.4000112.3L188 F190 P192 F226 L228 N267 L269 Q285L188-L283 HydrophobicContact CD1-CD1 4.33Å; F190-L283 HydrophobicContact CB-CD1 4.43Å; F190-L283 HydrophobicContact CD1-CB 3.58Å; F190-L283 HydrophobicContact CD1-CD1 3.84Å; F190-L283 HydrophobicContact CD1-CG 4.37Å; F190-L283 HydrophobicContact CE1-CB 3.54Å; F190-L283 HydrophobicContact CG-CD1 4.44Å; P192-L283 WeakPolarHBondContact CG-O 3.46Å; F226-L283 HydrophobicContact CE2-CD2 4.08Å; F226-L283 HydrophobicContact CZ-CD2 4.41Å; L228-L283 HydrophobicContact CD1-CD2 3.65Å; N267-L283 WeakPolarHBondContact O-CB 3.36Å; N267-L283 WeakPolarHBondContact O-CG 3.36Å; N267-L283 PolarHBondContact O-N 2.81Å; L269-L283 HydrophobicContact CB-CD1 4.29Å; L269-L283 HydrophobicContact CB-CD2 4.01Å; L269-L283 HydrophobicContact CB-CG 4.18Å; L269-L283 HydrophobicContact CD2-CD2 4.18Å; L283-Q285 VanDerWaalsContact C-N 3.31Å; L283-Q285 PolarHBondContact O-N 2.87Å
284A86.8Confident89.9Confident58 Ų5845.3 Ų45.348%0.47925%0.248SC..THydrogen-bonded Turntrans-71-29.617800000112.4F190 D282F190-A284 HydrophobicContact CE1-CB 4.49Å; F190-A284 HydrophobicContact CZ-CB 4.08Å; D282-A284 PolarHBondContact O-N 2.95Å; D282-A284 WeakPolarHBondContact OD1-CB 3.28Å; D282-A284 PolarHBondContact OD1-N 3.13Å
285Q84Confident89.7Confident139 Ų13945.4 Ų45.465%0.6525%0.246SC*.THydrogen-bonded Turntrans-104.7-12.8-179.1-61.8-172.36.800113D282 L283 K287D282-Q285 HydrophobicContact CB-CB 4.49Å; D282-Q285 PolarHBondContact O-N 2.95Å; L283-Q285 VanDerWaalsContact C-N 3.31Å; L283-Q285 PolarHBondContact O-N 2.87Å; Q285-K287 HydrophobicContact CB-CB 4.33Å; Q285-K287 PolarHBondContact O-N 3.03Å
286G82.6Confident89.7Confident31 Ų3149.7 Ų49.732%0.3227%0.274SS..THydrogen-bonded Turntrans64.622.9-173.400000113.5D282D282-G286 PolarHBondContact O-N 2.82Å
287K85.7Confident89.8Confident103 Ų10350 Ų5045%0.44828%0.275SS..EExtended strand (participates in β ladder)trans-123.3151.6-170.3-75-176.9-178.3-166.10113D282 Q285 A289D282-K287 PolarHBondContact N-O 2.98Å; D282-K287 PolarHBondContact O-N 3.12Å; Q285-K287 HydrophobicContact CB-CB 4.33Å; Q285-K287 PolarHBondContact O-N 3.03Å; K287-A289 PolarHBondContact O-N 2.94Å
288P89.2Confident89.8Confident38 Ų3854.1 Ų54.125%0.24729%0.293CS..EExtended strand (participates in β ladder)trans-70118.2172.529.4-33000109.5E250 V279 W281E250-P288 HydrophobicContact CB-CG 4.29Å; V279-P288 HydrophobicContact CG1-CB 3.72Å; W281-P288 HydrophobicContact CE3-CB 4.11Å; W281-P288 HydrophobicContact CH2-CB 4.46Å; W281-P288 HydrophobicContact CZ3-CB 3.99Å; W281-P288 HydrophobicContact CZ3-CG 4.27Å
289A87.9Confident89.9Confident66 Ų6654.1 Ų54.155%0.54529%0.293SS..EExtended strand (participates in β ladder)trans-81.6-40.3178.200000111.9L280 D282 K287L280-A289 WeakPolarHBondContact O-CB 3.41Å; L280-A289 PolarHBondContact O-N 3.3Å; D282-A289 HydrophobicContact CB-CB 4.48Å; K287-A289 PolarHBondContact O-N 2.94Å
290T88.3Confident89.9Confident50 Ų5056.2 Ų56.231%0.30730%0.303SS..EExtended strand (participates in β ladder)trans-154.3140-177.4-61.20000111L280 L292 P329L280-T290 PolarHBondContact N-O 2.73Å; L280-T290 PolarHBondContact O-N 2.74Å; T290-L292 HydrophobicContact CG2-CD2 3.96Å; T290-P329 HydrophobicContact CG2-CG 4.04Å
291T90.1Very high90Very high58 Ų5855.7 Ų55.736%0.35630%0.3SS..EExtended strand (participates in β ladder)trans-115.3125.6175.1-51.10000110.3T277 V279 R293T277-T291 HydrophobicContact CG2-CG2 4.26Å; V279-T291 HydrophobicContact CG2-CG2 4.05Å; T291-R293 HydrophobicContact CG2-CG 4.08Å
292L89.8Confident90.1Very high7 Ų755.7 Ų55.74%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-101.5121.2178.9-46176.1000108.9T277 V278 T290 L312 Y324 P329T277-L292 WeakPolarHBondContact CA-O 3.4Å; V278-L292 HydrophobicContact CB-CB 4.11Å; V278-L292 HydrophobicContact CB-CD1 4.17Å; V278-L292 HydrophobicContact CB-CG 4.42Å; V278-L292 HydrophobicContact CG1-CD1 4.12Å; V278-L292 PolarHBondContact N-O 3.43Å; V278-L292 PolarHBondContact O-N 3.46Å; T290-L292 HydrophobicContact CG2-CD2 3.96Å; L292-L312 HydrophobicContact CD1-CD2 4.4Å; L292-Y324 HydrophobicContact CB-CE1 4.26Å; L292-Y324 HydrophobicContact CD1-CD1 3.98Å; L292-Y324 HydrophobicContact CD1-CD2 3.79Å; L292-Y324 HydrophobicContact CD1-CE1 4.12Å; L292-Y324 HydrophobicContact CD1-CE2 3.92Å; L292-Y324 HydrophobicContact CD1-CG 3.81Å; L292-P329 HydrophobicContact CD2-CB 3.14Å; L292-P329 HydrophobicContact CD2-CG 3.81Å
293R89.3Confident90.4Very high182 Ų18256.4 Ų56.469%0.68730%0.3SS*.  trans-121.756.6-177.2-57.8-175.7-178.7-89.8-4.5111T277 T291T277-R293 HydrophobicContact CG2-CG 3.94Å; T277-R293 VanDerWaalsContact CG2-NH1 3.33Å; T291-R293 HydrophobicContact CG2-CG 4.08Å
294K87.7Confident90.7Very high79 Ų7956.9 Ų56.934%0.34330%0.302SS..  trans-100.4-25.4178.8-63.2-59.2-171-176.10113.3Y324 D330K294-Y324 HydrophobicContact CB-CE1 4.17Å; K294-Y324 HydrophobicContact CG-CE1 3.78Å; K294-D330 IonicContact NZ-OD1 3.65Å
295H90.3Very high91Very high13 Ų1354.5 Ų54.56%0.0628%0.281CS..  trans-75.3152.8176.7-74.2-63000111.6V299 S314 S316 D318 V322H295-V299 HydrophobicContact CB-CG2 4.07Å; H295-S314 PolarHBondContact NE2-OG 3.11Å; H295-S316 VanDerWaalsContact CE1-CB 3.47Å; H295-S316 WeakPolarHBondContact CE1-CB 3.13Å; H295-S316 WeakPolarHBondContact ND1-CB 3.49Å; H295-D318 WeakPolarHBondContact CA-OD2 3.47Å; H295-D318 IonicContact CG-OD2 3.25Å; H295-D318 IonicContact ND1-OD1 3.3Å; H295-D318 IonicContact ND1-OD2 2.81Å; H295-D318 PolarHBondContact ND1-OD2 2.99Å; H295-V322 VanDerWaalsContact CE1-CG2 3.48Å; H295-V322 WeakPolarHBondContact CE1-CG2 3.3Å
296T91.4Very high91.3Very high115 Ų11549.9 Ų49.971%0.70626%0.263SS*.SBendtrans-108.80.4177.5600000113.2D318T296-D318 PolarHBondContact N-OD2 2.95Å; T296-D318 VanDerWaalsContact OG1-CB 3.31Å; T296-D318 WeakPolarHBondContact OG1-CB 3.5Å
297D93.8Very high91.6Very high64 Ų6454 Ų5434%0.34227%0.273SS..SBendtrans-152.5174.8-180-151.7-23.1000109D276 S316 D318D276-D297 WeakPolarHBondContact OD1-CA 3.39Å; D297-S316 PolarHBondContact O-OG 3.18Å; D297-D318 HydrophobicContact CB-CB 3.88Å
298K94.4Very high91.8Very high89 Ų8952.6 Ų52.639%0.38727%0.268SS..  trans-50.3136.6-172.7-58-176.1-179.5-1780112.6L257 A274 D276 Q300 S316 Y317L257-K298 HydrophobicContact CD1-CB 4Å; A274-K298 HydrophobicContact CB-CD 3.91Å; A274-K298 HydrophobicContact CB-CG 4.06Å; D276-K298 PolarHBondContact OD1-N 2.87Å; K298-Q300 PolarHBondContact O-N 2.62Å; K298-S316 CarbonylContact O-C 3.59Å; K298-S316 WeakPolarHBondContact O-CA 3.47Å; K298-S316 WeakPolarHBondContact O-CB 3.38Å; K298-S316 PolarHBondContact O-OG 2.77Å; K298-Y317 HydrophobicContact CB-CG 4.33Å; K298-Y317 PolarHBondContact O-N 2.89Å
299V96.1Very high91.8Very high0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-92.198.9177.4-173.60000109.4L257 S273 V278 H295 G315L257-V299 WeakPolarHBondContact CB-O 3.45Å; L257-V299 WeakPolarHBondContact CD1-O 3.31Å; S273-V299 PolarHBondContact O-N 3.3Å; V278-V299 HydrophobicContact CG2-CB 4.33Å; V278-V299 HydrophobicContact CG2-CG1 3.84Å; V278-V299 HydrophobicContact CG2-CG2 3.96Å; H295-V299 HydrophobicContact CB-CG2 4.07Å; V299-G315 WeakPolarHBondContact CG1-O 3.45Å
300Q94.4Very high91.9Very high45 Ų4551.2 Ų51.221%0.2125%0.251CS..EExtended strand (participates in β ladder)trans-74.9-34.3-175-170.776.4-19.100113D258 K298 G315 Y317 V342 E343D258-Q300 WeakPolarHBondContact CB-O 3.42Å; K298-Q300 PolarHBondContact O-N 2.62Å; Q300-G315 PolarHBondContact N-O 3.14Å; Q300-Y317 HydrophobicContact CB-CD2 3.93Å; Q300-Y317 HydrophobicContact CB-CE2 3.74Å; Q300-Y317 HydrophobicContact CG-CD2 4.42Å; Q300-Y317 HydrophobicContact CG-CE2 3.74Å; Q300-Y317 PolarHBondContact NE2-OH 2.78Å; Q300-V342 WeakPolarHBondContact CB-O 3.33Å; Q300-E343 PolarHBondContact NE2-OE2 3.23Å
301T95.6Very high92.2Very high0 Ų049.5 Ų49.50%024%0.241CC..EExtended strand (participates in β ladder)trans-148.2150.9-174.3-169.90000113.1D258 S314 G315 V342 R344 L345D258-T301 WeakPolarHBondContact OD2-CA 3.34Å; D258-T301 WeakPolarHBondContact OD2-CB 3.39Å; D258-T301 PolarHBondContact OD2-OG1 2.84Å; T301-S314 CarbonylContact O-C 3.52Å; T301-S314 WeakPolarHBondContact O-CA 3.31Å; T301-G315 PolarHBondContact N-O 3.36Å; T301-G315 PolarHBondContact O-N 2.77Å; T301-V342 HydrophobicContact CG2-CG1 4.22Å; T301-R344 PolarHBondContact OG1-NH1 2.87Å; T301-L345 HydrophobicContact CG2-CB 3.87Å; T301-L345 HydrophobicContact CG2-CD1 3.88Å; T301-L345 HydrophobicContact CG2-CG 3.67Å; T301-L345 PolarHBondContact OG1-N 3.28Å
302L96.1Very high92.4Very high0 Ų046.8 Ų46.80%022%0.224CC..EExtended strand (participates in β ladder)trans-151.6149.117461.5119.9000112.1D258 S260 A270 S271 L312 I313D258-L302 HydrophobicContact CB-CD2 4.03Å; D258-L302 HydrophobicContact CB-CG 4.41Å; D258-L302 WeakPolarHBondContact O-CD2 3.48Å; D258-L302 PolarHBondContact OD2-N 3.26Å; S260-L302 VanDerWaalsContact CB-CD1 3.43Å; S260-L302 WeakPolarHBondContact CB-O 3.21Å; A270-L302 HydrophobicContact CB-CD1 3.45Å; A270-L302 VanDerWaalsContact CB-CD1 3.45Å; A270-L302 WeakPolarHBondContact O-CD1 3.49Å; S271-L302 VanDerWaalsContact C-CD2 3.48Å; L302-L312 HydrophobicContact CB-CD1 4.5Å; L302-L312 HydrophobicContact CD1-CD1 4.17Å; L302-I313 CarbonylContact C-O 3.53Å; L302-I313 WeakPolarHBondContact CA-O 3.42Å
303R96.2Very high92.7Very high44 Ų4446.4 Ų46.417%0.16622%0.222CC..EExtended strand (participates in β ladder)trans-146.6127.7176.4-73.2-59.6-178.4-100.724.9112.7D258 L259 S260 I313 R344 L345 W347D258-R303 IonicContact OD1-CZ 2.71Å; D258-R303 IonicContact OD1-NH1 3.82Å; D258-R303 PolarHBondContact OD1-NH1 3.05Å; D258-R303 IonicContact OD1-NH2 2.77Å; D258-R303 IonicContact OD2-CZ 3.42Å; D258-R303 IonicContact OD2-NH1 3.94Å; D258-R303 PolarHBondContact OD2-NH1 2.92Å; L259-R303 PolarHBondContact O-NH1 3.27Å; S260-R303 WeakPolarHBondContact OG-CA 3.46Å; R303-I313 HydrophobicContact CB-CG2 4.28Å; R303-I313 PolarHBondContact N-O 3Å; R303-I313 PolarHBondContact O-N 2.88Å; R303-R344 VanDerWaalsContact CZ-CZ 3.49Å; R303-R344 VanDerWaalsContact CZ-NH2 3.25Å; R303-L345 WeakPolarHBondContact CG-O 3.5Å; R303-W347 PolarHBondContact O-NE1 3.1Å
304F95.4Very high93Very high14 Ų1437.8 Ų37.86%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-66.1146.3166.9-84.8-69.5000111.1S260 N262 V268 A270 L280 L312S260-F304 VanDerWaalsContact O-CD2 3.29Å; S260-F304 WeakPolarHBondContact O-CD2 3.3Å; S260-F304 VanDerWaalsContact O-CE2 3.25Å; S260-F304 WeakPolarHBondContact O-CE2 3.45Å; S260-F304 PolarHBondContact OG-N 3.09Å; S260-F304 VanDerWaalsContact OG-N 3.08Å; N262-F304 HydrophobicContact CB-CD1 4.29Å; N262-F304 HydrophobicContact CB-CD2 3.86Å; N262-F304 HydrophobicContact CB-CE1 4.38Å; N262-F304 HydrophobicContact CB-CE2 3.93Å; N262-F304 HydrophobicContact CB-CG 4.04Å; N262-F304 HydrophobicContact CB-CZ 4.2Å; V268-F304 HydrophobicContact CG1-CE2 4.37Å; V268-F304 HydrophobicContact CG1-CZ 3.81Å; A270-F304 HydrophobicContact CB-CD2 4.24Å; A270-F304 HydrophobicContact CB-CE2 3.36Å; A270-F304 HydrophobicContact CB-CZ 3.7Å; L280-F304 HydrophobicContact CD2-CZ 3.94Å; F304-L312 HydrophobicContact CD1-CB 4.16Å; F304-L312 HydrophobicContact CD1-CD1 3.92Å; F304-L312 HydrophobicContact CD2-CD1 4.12Å; F304-L312 HydrophobicContact CE1-CB 4.08Å; F304-L312 HydrophobicContact CE1-CD1 4.06Å; F304-L312 HydrophobicContact CE2-CD1 4.27Å; F304-L312 HydrophobicContact CG-CD1 3.95Å; F304-L312 HydrophobicContact CZ-CD1 4.23Å
305H93.1Very high93.4Very high7 Ų734 Ų343%0.03217%0.173CC..  trans-69133.8175.7-174.4-93.2000110.6F307 E308 T311 W347 P352H305-F307 VanDerWaalsContact C-N 3.27Å; H305-F307 AromaticContact CE1-CD2 3.96Å; H305-F307 PolarHBondContact ND1-N 2.99Å; H305-F307 VanDerWaalsContact ND1-N 3.16Å; H305-F307 PolarHBondContact O-N 3.35Å; H305-E308 HydrophobicContact CB-CB 4.31Å; H305-E308 VanDerWaalsContact ND1-CB 3.34Å; H305-E308 WeakPolarHBondContact ND1-CB 3.25Å; H305-E308 PolarHBondContact ND1-N 3.16Å; H305-T311 HydrophobicContact CB-CG2 3.98Å; H305-T311 WeakPolarHBondContact CB-O 3.29Å; H305-T311 PolarHBondContact N-O 3.09Å; H305-W347 HydrophobicContact CB-CZ2 4.44Å; H305-W347 AromaticContact CD2-CD2 3.66Å; H305-W347 AromaticContact CD2-CE2 3.89Å; H305-W347 AromaticContact CD2-CE3 3.55Å; H305-W347 AromaticContact CD2-CH2 3.96Å; H305-W347 AromaticContact CD2-CZ3 3.72Å; H305-P352 PolarHBondContact NE2-O 3Å
306P89.5Confident93.7Very high43 Ų4333.4 Ų33.428%0.27917%0.17SC..SBendtrans-67.6-23.1-173.222.8-32.6000114.3W347 H349P306-W347 HydrophobicContact CG-CB 4.07Å; P306-H349 HydrophobicContact CB-CB 4.42Å; P306-H349 HydrophobicContact CG-CB 4.29Å
307F88.9Confident93.8Very high116 Ų11631 Ų3151%0.50915%0.149SC..SBendtrans-118.8-8.1-175.7-53.9-76.8000114.9L264 H305 H349 P352L264-F307 WeakPolarHBondContact CD1-O 3.09Å; H305-F307 VanDerWaalsContact C-N 3.27Å; H305-F307 AromaticContact CE1-CD2 3.96Å; H305-F307 PolarHBondContact ND1-N 2.99Å; H305-F307 VanDerWaalsContact ND1-N 3.16Å; H305-F307 PolarHBondContact O-N 3.35Å; F307-H349 VanDerWaalsContact CE2-O 3.25Å; F307-H349 WeakPolarHBondContact CE2-O 3.34Å; F307-H349 WeakPolarHBondContact CZ-O 3.13Å; F307-P352 HydrophobicContact CD2-CB 3.84Å; F307-P352 HydrophobicContact CE2-CB 4.42Å
308E90Very high93.8Very high74 Ų7428.9 Ų28.935%0.34614%0.138SC..  trans-130.8114.2-176-68.1-172.9177.900108.6H305 Q310 T311H305-E308 HydrophobicContact CB-CB 4.31Å; H305-E308 VanDerWaalsContact ND1-CB 3.34Å; H305-E308 WeakPolarHBondContact ND1-CB 3.25Å; H305-E308 PolarHBondContact ND1-N 3.16Å; E308-Q310 PolarHBondContact O-N 3.24Å; E308-Q310 PolarHBondContact OE2-NE2 3.41Å; E308-T311 PolarHBondContact O-N 2.92Å; E308-T311 PolarHBondContact OE2-OG1 2.82Å
309A89.5Confident93.9Very high26 Ų2628.2 Ų28.222%0.21514%0.135CC..THydrogen-bonded Turntrans-68-25.9-171.900000113.2N262 L264 V265N262-A309 PolarHBondContact ND2-O 2.99Å; L264-A309 HydrophobicContact CB-CB 3.78Å; L264-A309 HydrophobicContact CD1-CB 4.08Å; V265-A309 HydrophobicContact CB-CB 4.49Å; V265-A309 HydrophobicContact CG2-CB 3.61Å
310Q90.9Very high93.8Very high49 Ų4929 Ų2923%0.22914%0.139CC..THydrogen-bonded Turntrans-84.1-12.3-175.769.7-82.83.700114E308 D325 C326 R327E308-Q310 PolarHBondContact O-N 3.24Å; E308-Q310 PolarHBondContact OE2-NE2 3.41Å; Q310-D325 CarbonylContact O-C 3.59Å; Q310-D325 WeakPolarHBondContact O-CA 3.4Å; Q310-C326 WeakPolarHBondContact O-CB 3.3Å; Q310-C326 PolarHBondContact O-N 2.95Å; Q310-C326 PolarHBondContact O-SG 2.85Å; Q310-R327 HydrophobicContact CB-CG 4.16Å
311T93.3Very high93.9Very high15 Ų1526.9 Ų26.99%0.09213%0.129CC..EExtended strand (participates in β ladder)trans-101.8120.9-166-58.50000109.6H305 E308 L323 Y324 W347H305-T311 HydrophobicContact CB-CG2 3.98Å; H305-T311 WeakPolarHBondContact CB-O 3.29Å; H305-T311 PolarHBondContact N-O 3.09Å; E308-T311 PolarHBondContact O-N 2.92Å; E308-T311 PolarHBondContact OE2-OG1 2.82Å; T311-L323 HydrophobicContact CG2-CD1 3.37Å; T311-L323 HydrophobicContact CG2-CG 4.17Å; T311-Y324 WeakPolarHBondContact CA-O 3.25Å; T311-W347 HydrophobicContact CG2-CH2 4.42Å; T311-W347 HydrophobicContact CG2-CZ2 4.15Å
312L94.8Very high93.8Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-126.5135.3178.8177.970.4000109.6A270 V278 L280 L292 L302 F304 L323 Y324A270-L312 HydrophobicContact CB-CD1 4.11Å; A270-L312 HydrophobicContact CB-CD2 4Å; V278-L312 HydrophobicContact CG1-CD2 3.94Å; L280-L312 HydrophobicContact CD2-CD2 3.94Å; L292-L312 HydrophobicContact CD1-CD2 4.4Å; L302-L312 HydrophobicContact CB-CD1 4.5Å; L302-L312 HydrophobicContact CD1-CD1 4.17Å; F304-L312 HydrophobicContact CD1-CB 4.16Å; F304-L312 HydrophobicContact CD1-CD1 3.92Å; F304-L312 HydrophobicContact CD2-CD1 4.12Å; F304-L312 HydrophobicContact CE1-CB 4.08Å; F304-L312 HydrophobicContact CE1-CD1 4.06Å; F304-L312 HydrophobicContact CE2-CD1 4.27Å; F304-L312 HydrophobicContact CG-CD1 3.95Å; F304-L312 HydrophobicContact CZ-CD1 4.23Å; L312-L323 CarbonylContact O-C 3.6Å; L312-L323 WeakPolarHBondContact O-CA 3.34Å; L312-Y324 PolarHBondContact N-O 2.91Å; L312-Y324 VanDerWaalsContact N-O 3.13Å; L312-Y324 PolarHBondContact O-N 2.94Å
313I95.4Very high93.7Very high0 Ų028.2 Ų28.20%014%0.137CC..EExtended strand (participates in β ladder)trans-111.5139.4169.8-157.4173.2000110.2L302 R303 V322 L323 L345 W347 F355L302-I313 CarbonylContact C-O 3.53Å; L302-I313 WeakPolarHBondContact CA-O 3.42Å; R303-I313 HydrophobicContact CB-CG2 4.28Å; R303-I313 PolarHBondContact N-O 3Å; R303-I313 PolarHBondContact O-N 2.88Å; I313-V322 CarbonylContact C-O 3.6Å; I313-V322 WeakPolarHBondContact CA-O 3.38Å; I313-L323 HydrophobicContact CB-CD1 4.15Å; I313-L323 HydrophobicContact CG1-CD1 4.44Å; I313-L345 HydrophobicContact CD1-CD1 4.38Å; I313-L345 HydrophobicContact CD1-CD2 4.32Å; I313-L345 HydrophobicContact CG1-CD1 4.04Å; I313-L345 HydrophobicContact CG2-CB 4.26Å; I313-L345 HydrophobicContact CG2-CD1 4.06Å; I313-W347 HydrophobicContact CB-CZ2 3.84Å; I313-W347 HydrophobicContact CD1-CZ2 4.45Å; I313-W347 HydrophobicContact CG2-CZ2 4.03Å; I313-F355 HydrophobicContact CD1-CB 4.49Å; I313-F355 HydrophobicContact CD1-CD1 3.93Å; I313-F355 HydrophobicContact CD1-CD2 3.47Å; I313-F355 VanDerWaalsContact CD1-CD2 3.47Å; I313-F355 HydrophobicContact CD1-CE1 3.92Å; I313-F355 HydrophobicContact CD1-CE2 3.45Å; I313-F355 VanDerWaalsContact CD1-CE2 3.45Å; I313-F355 HydrophobicContact CD1-CG 3.71Å; I313-F355 HydrophobicContact CD1-CZ 3.69Å
314S96.3Very high93.6Very high0 Ų026.2 Ų26.20%013%0.129CC..EExtended strand (participates in β ladder)trans-126.7152.1172.463.80000111H295 T301 A321 V322 Y324 L345H295-S314 PolarHBondContact NE2-OG 3.11Å; T301-S314 CarbonylContact O-C 3.52Å; T301-S314 WeakPolarHBondContact O-CA 3.31Å; S314-A321 CarbonylContact O-C 3.59Å; S314-A321 WeakPolarHBondContact O-CA 3.43Å; S314-A321 WeakPolarHBondContact O-CB 3.48Å; S314-V322 PolarHBondContact N-O 3.04Å; S314-V322 PolarHBondContact O-N 3.11Å; S314-Y324 WeakPolarHBondContact OG-CE2 3.14Å; S314-L345 WeakPolarHBondContact O-CD1 3.44Å
315G96.1Very high93.4Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-130.4138.5178.900000109.8V299 Q300 T301V299-G315 WeakPolarHBondContact CG1-O 3.45Å; Q300-G315 PolarHBondContact N-O 3.14Å; T301-G315 PolarHBondContact N-O 3.36Å; T301-G315 PolarHBondContact O-N 2.77Å
316S96.1Very high93.1Very high0 Ų027.9 Ų27.90%014%0.141CC..EExtended strand (participates in β ladder)trans-132.2162.3-171.8168.40000112.6H295 D297 K298 D318 K319 T320 V342H295-S316 VanDerWaalsContact CE1-CB 3.47Å; H295-S316 WeakPolarHBondContact CE1-CB 3.13Å; H295-S316 WeakPolarHBondContact ND1-CB 3.49Å; D297-S316 PolarHBondContact O-OG 3.18Å; K298-S316 CarbonylContact O-C 3.59Å; K298-S316 WeakPolarHBondContact O-CA 3.47Å; K298-S316 WeakPolarHBondContact O-CB 3.38Å; K298-S316 PolarHBondContact O-OG 2.77Å; S316-D318 WeakPolarHBondContact CB-OD1 3.31Å; S316-D318 PolarHBondContact O-N 3.28Å; S316-D318 PolarHBondContact OG-N 2.89Å; S316-D318 VanDerWaalsContact OG-N 3.11Å; S316-D318 PolarHBondContact OG-OD1 3.43Å; S316-D318 PolarHBondContact OG-OD2 2.87Å; S316-K319 PolarHBondContact O-N 3.41Å; S316-T320 PolarHBondContact N-O 3Å; S316-T320 VanDerWaalsContact N-O 3.07Å; S316-V342 PolarHBondContact O-N 2.71Å
317Y94.9Very high92.9Very high64 Ų6434.2 Ų34.225%0.25116%0.159SC..THydrogen-bonded Turntrans-64.3-15.6170.2-83.9-144.3000112.4K298 Q300 K319 Q341K298-Y317 HydrophobicContact CB-CG 4.33Å; K298-Y317 PolarHBondContact O-N 2.89Å; Q300-Y317 HydrophobicContact CB-CD2 3.93Å; Q300-Y317 HydrophobicContact CB-CE2 3.74Å; Q300-Y317 HydrophobicContact CG-CD2 4.42Å; Q300-Y317 HydrophobicContact CG-CE2 3.74Å; Q300-Y317 PolarHBondContact NE2-OH 2.78Å; Y317-K319 PolarHBondContact O-N 2.76Å; Y317-Q341 HydrophobicContact CD2-CB 4.41Å
318D93.6Very high92.7Very high21 Ų2132.5 Ų32.511%0.11216%0.155CC..THydrogen-bonded Turntrans-68.93.3172.469.817000114H295 T296 D297 S316 T320H295-D318 WeakPolarHBondContact CA-OD2 3.47Å; H295-D318 IonicContact CG-OD2 3.25Å; H295-D318 IonicContact ND1-OD1 3.3Å; H295-D318 IonicContact ND1-OD2 2.81Å; H295-D318 PolarHBondContact ND1-OD2 2.99Å; T296-D318 PolarHBondContact N-OD2 2.95Å; T296-D318 VanDerWaalsContact OG1-CB 3.31Å; T296-D318 WeakPolarHBondContact OG1-CB 3.5Å; D297-D318 HydrophobicContact CB-CB 3.88Å; S316-D318 WeakPolarHBondContact CB-OD1 3.31Å; S316-D318 PolarHBondContact O-N 3.28Å; S316-D318 PolarHBondContact OG-N 2.89Å; S316-D318 VanDerWaalsContact OG-N 3.11Å; S316-D318 PolarHBondContact OG-OD1 3.43Å; S316-D318 PolarHBondContact OG-OD2 2.87Å; D318-T320 VanDerWaalsContact C-N 3.26Å; D318-T320 VanDerWaalsContact CG-OG1 3.24Å; D318-T320 PolarHBondContact O-N 2.83Å; D318-T320 WeakPolarHBondContact OD1-CA 3.35Å; D318-T320 VanDerWaalsContact OD1-CB 3.23Å; D318-T320 WeakPolarHBondContact OD1-CB 3.36Å; D318-T320 PolarHBondContact OD1-N 2.9Å; D318-T320 PolarHBondContact OD1-OG1 3.04Å; D318-T320 PolarHBondContact OD2-OG1 3.17Å
319K95.2Very high92.2Very high74 Ų7430 Ų3032%0.32215%0.145SC..SBendtrans68.122.6-178.2-46.4-173170.5-159.10113.2S316 Y317 R337 F338 S339 G340S316-K319 PolarHBondContact O-N 3.41Å; Y317-K319 PolarHBondContact O-N 2.76Å; K319-R337 WeakPolarHBondContact O-CA 3.32Å; K319-F338 PolarHBondContact O-N 2.87Å; K319-S339 WeakPolarHBondContact CD-O 3.48Å; K319-S339 PolarHBondContact NZ-O 3.33Å; K319-G340 WeakPolarHBondContact CA-O 3.47Å; K319-G340 VanDerWaalsContact CB-O 3.31Å; K319-G340 WeakPolarHBondContact CB-O 3.47Å; K319-G340 WeakPolarHBondContact CG-O 3.38Å
320T95.3Very high91.7Very high17 Ų1734.5 Ų34.510%0.10417%0.166CC..EExtended strand (participates in β ladder)trans-120.6148.8177.577.40000112.2S316 D318 T335 W336 R337S316-T320 PolarHBondContact N-O 3Å; S316-T320 VanDerWaalsContact N-O 3.07Å; D318-T320 VanDerWaalsContact C-N 3.26Å; D318-T320 VanDerWaalsContact CG-OG1 3.24Å; D318-T320 PolarHBondContact O-N 2.83Å; D318-T320 WeakPolarHBondContact OD1-CA 3.35Å; D318-T320 VanDerWaalsContact OD1-CB 3.23Å; D318-T320 WeakPolarHBondContact OD1-CB 3.36Å; D318-T320 PolarHBondContact OD1-N 2.9Å; D318-T320 PolarHBondContact OD1-OG1 3.04Å; D318-T320 PolarHBondContact OD2-OG1 3.17Å; T320-T335 HydrophobicContact CG2-CG2 4.18Å; T320-W336 CarbonylContact C-O 3.48Å; T320-W336 WeakPolarHBondContact CA-O 3.4Å; T320-W336 WeakPolarHBondContact CB-O 3.44Å; T320-R337 HydrophobicContact CG2-CG 4.48Å
321A95.4Very high91.1Very high0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans-111.4138.8160.800000109.1S314 T335 W336 F338 L345S314-A321 CarbonylContact O-C 3.59Å; S314-A321 WeakPolarHBondContact O-CA 3.43Å; S314-A321 WeakPolarHBondContact O-CB 3.48Å; A321-T335 CarbonylContact O-C 3.56Å; A321-T335 WeakPolarHBondContact O-CA 3.36Å; A321-W336 PolarHBondContact N-O 2.87Å; A321-W336 PolarHBondContact O-N 2.78Å; A321-F338 HydrophobicContact CB-CE2 3.61Å; A321-F338 HydrophobicContact CB-CZ 4.27Å; A321-L345 HydrophobicContact CB-CD1 4.16Å; A321-L345 HydrophobicContact CB-CD2 4.25Å
322V94.6Very high90.8Very high3 Ų338.2 Ų38.22%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-121.1127.1-179.8-174.80000109.2H295 I313 S314 Y324 F333 R334 T335H295-V322 VanDerWaalsContact CE1-CG2 3.48Å; H295-V322 WeakPolarHBondContact CE1-CG2 3.3Å; I313-V322 CarbonylContact C-O 3.6Å; I313-V322 WeakPolarHBondContact CA-O 3.38Å; S314-V322 PolarHBondContact N-O 3.04Å; S314-V322 PolarHBondContact O-N 3.11Å; V322-Y324 HydrophobicContact CB-CE1 4.36Å; V322-Y324 HydrophobicContact CB-CE2 3.99Å; V322-Y324 HydrophobicContact CG1-CD1 4.03Å; V322-Y324 HydrophobicContact CG1-CD2 4.36Å; V322-Y324 HydrophobicContact CG1-CE1 3.48Å; V322-Y324 VanDerWaalsContact CG1-CE1 3.48Å; V322-Y324 HydrophobicContact CG1-CE2 3.88Å; V322-Y324 HydrophobicContact CG1-CG 4.43Å; V322-F333 HydrophobicContact CG1-CB 4.14Å; V322-F333 HydrophobicContact CG1-CD2 4.38Å; V322-R334 CarbonylContact C-O 3.56Å; V322-R334 VanDerWaalsContact CA-O 3.3Å; V322-R334 WeakPolarHBondContact CA-O 3.19Å; V322-T335 HydrophobicContact CG2-CG2 4.06Å
323L94.5Very high90.5Very high25 Ų2542.7 Ų42.713%0.13122%0.217CC..EExtended strand (participates in β ladder)trans-95.9128.8169.5-178.172.3000108.8T311 L312 I313 F333 R334 W336 W347 A369T311-L323 HydrophobicContact CG2-CD1 3.37Å; T311-L323 HydrophobicContact CG2-CG 4.17Å; L312-L323 CarbonylContact O-C 3.6Å; L312-L323 WeakPolarHBondContact O-CA 3.34Å; I313-L323 HydrophobicContact CB-CD1 4.15Å; I313-L323 HydrophobicContact CG1-CD1 4.44Å; L323-F333 CarbonylContact O-C 3.52Å; L323-F333 WeakPolarHBondContact O-CA 3.22Å; L323-F333 WeakPolarHBondContact O-CB 3.32Å; L323-R334 HydrophobicContact CB-CB 4.4Å; L323-R334 PolarHBondContact N-O 3.23Å; L323-R334 PolarHBondContact O-N 3.23Å; L323-W336 HydrophobicContact CB-CH2 3.73Å; L323-W336 HydrophobicContact CB-CZ3 3.53Å; L323-W336 HydrophobicContact CD2-CH2 3.96Å; L323-W336 HydrophobicContact CG-CH2 4.48Å; L323-W347 HydrophobicContact CD1-CH2 3.68Å; L323-W347 HydrophobicContact CD1-CZ2 3.5Å; L323-A369 HydrophobicContact CD2-CB 4.15Å
324Y92.6Very high90.3Very high3 Ų345.9 Ų45.91%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-113.3145.1177.8-55.2-82.9000111.2L292 K294 T311 L312 S314 V322 F333L292-Y324 HydrophobicContact CB-CE1 4.26Å; L292-Y324 HydrophobicContact CD1-CD1 3.98Å; L292-Y324 HydrophobicContact CD1-CD2 3.79Å; L292-Y324 HydrophobicContact CD1-CE1 4.12Å; L292-Y324 HydrophobicContact CD1-CE2 3.92Å; L292-Y324 HydrophobicContact CD1-CG 3.81Å; K294-Y324 HydrophobicContact CB-CE1 4.17Å; K294-Y324 HydrophobicContact CG-CE1 3.78Å; T311-Y324 WeakPolarHBondContact CA-O 3.25Å; L312-Y324 PolarHBondContact N-O 2.91Å; L312-Y324 VanDerWaalsContact N-O 3.13Å; L312-Y324 PolarHBondContact O-N 2.94Å; S314-Y324 WeakPolarHBondContact OG-CE2 3.14Å; V322-Y324 HydrophobicContact CB-CE1 4.36Å; V322-Y324 HydrophobicContact CB-CE2 3.99Å; V322-Y324 HydrophobicContact CG1-CD1 4.03Å; V322-Y324 HydrophobicContact CG1-CD2 4.36Å; V322-Y324 HydrophobicContact CG1-CE1 3.48Å; V322-Y324 VanDerWaalsContact CG1-CE1 3.48Å; V322-Y324 HydrophobicContact CG1-CE2 3.88Å; V322-Y324 HydrophobicContact CG1-CG 4.43Å; Y324-F333 HydrophobicContact CD1-CB 4.2Å
325D91.1Very high90.1Very high29 Ų2949 Ų4916%0.15525%0.249CC..EExtended strand (participates in β ladder)trans-91.9109.3151.6-172.3-27.6000108.2Q310 R327 N328 S332Q310-D325 CarbonylContact O-C 3.59Å; Q310-D325 WeakPolarHBondContact O-CA 3.4Å; D325-R327 PolarHBondContact O-N 2.91Å; D325-R327 VanDerWaalsContact OD1-CB 3.32Å; D325-R327 WeakPolarHBondContact OD1-CB 3.45Å; D325-R327 IonicContact OD1-CZ 3.44Å; D325-R327 PolarHBondContact OD1-N 2.88Å; D325-R327 IonicContact OD1-NE 3.52Å; D325-R327 PolarHBondContact OD1-NE 3.48Å; D325-R327 IonicContact OD1-NH2 3.01Å; D325-R327 IonicContact OD2-CZ 2.77Å; D325-R327 IonicContact OD2-NE 3.95Å; D325-R327 PolarHBondContact OD2-NE 2.88Å; D325-R327 IonicContact OD2-NH2 3.66Å; D325-R327 PolarHBondContact OD2-NH2 3.22Å; D325-N328 CarbonylContact O-C 3.59Å; D325-N328 PolarHBondContact O-N 2.89Å; D325-S332 PolarHBondContact N-O 3.36Å; D325-S332 VanDerWaalsContact N-O 3.09Å
326C86.4Confident90.1Very high26 Ų2649.7 Ų49.718%0.17625%0.251CS..THydrogen-bonded Turntrans-59.7-17.7-178-62.60000113.5L280 Q310L280-C326 HydrophobicContact CD1-CB 3.87Å; Q310-C326 WeakPolarHBondContact O-CB 3.3Å; Q310-C326 PolarHBondContact O-N 2.95Å; Q310-C326 PolarHBondContact O-SG 2.85Å
327R86.1Confident90Very high177 Ų17758.8 Ų58.867%0.66829%0.285SS*.THydrogen-bonded Turntrans-76.7-27.3175.1-61.3172.5-67.2-177.71.2112.5Q310 D325Q310-R327 HydrophobicContact CB-CG 4.16Å; D325-R327 PolarHBondContact O-N 2.91Å; D325-R327 VanDerWaalsContact OD1-CB 3.32Å; D325-R327 WeakPolarHBondContact OD1-CB 3.45Å; D325-R327 IonicContact OD1-CZ 3.44Å; D325-R327 PolarHBondContact OD1-N 2.88Å; D325-R327 IonicContact OD1-NE 3.52Å; D325-R327 PolarHBondContact OD1-NE 3.48Å; D325-R327 IonicContact OD1-NH2 3.01Å; D325-R327 IonicContact OD2-CZ 2.77Å; D325-R327 IonicContact OD2-NE 3.95Å; D325-R327 PolarHBondContact OD2-NE 2.88Å; D325-R327 IonicContact OD2-NH2 3.66Å; D325-R327 PolarHBondContact OD2-NH2 3.22Å
328N85.8Confident89.9Confident80 Ų8056.5 Ų56.543%0.42828%0.277SS..SBendtrans-148.271.7-179.5-163.5-24000110.9D325 D330 S331 S332D325-N328 CarbonylContact O-C 3.59Å; D325-N328 PolarHBondContact O-N 2.89Å; N328-D330 VanDerWaalsContact C-N 3.26Å; N328-D330 PolarHBondContact O-N 3.21Å; N328-S331 PolarHBondContact ND2-OG 3.01Å; N328-S331 PolarHBondContact O-N 2.85Å; N328-S331 PolarHBondContact OD1-OG 3.09Å; N328-S332 PolarHBondContact O-N 3.48Å; N328-S332 VanDerWaalsContact O-N 3.13Å
329P79.3Confident89.9Confident20 Ų2058 Ų5813%0.1329%0.289CS..THydrogen-bonded Turntrans-66.6-25.6-170.824.1-34.4000114.3T290 L292T290-P329 HydrophobicContact CG2-CG 4.04Å; L292-P329 HydrophobicContact CD2-CB 3.14Å; L292-P329 HydrophobicContact CD2-CG 3.81Å
330D77.8Confident89.7Confident122 Ų12254.5 Ų54.565%0.65227%0.273SS*.THydrogen-bonded Turntrans-79-31-175.3-76.8-40.9000113.5K294 N328 F333K294-D330 IonicContact NZ-OD1 3.65Å; N328-D330 VanDerWaalsContact C-N 3.26Å; N328-D330 PolarHBondContact O-N 3.21Å; D330-F333 WeakPolarHBondContact O-CE1 3.49Å
331S79.8Confident89.7Confident83 Ų8355.8 Ų55.858%0.5828%0.278SS*.THydrogen-bonded Turntrans-108.2-25.8-173.367.50000114.3N328N328-S331 PolarHBondContact ND2-OG 3.01Å; N328-S331 PolarHBondContact O-N 2.85Å; N328-S331 PolarHBondContact OD1-OG 3.09Å
332S85.6Confident89.8Confident58 Ų5855.8 Ų55.841%0.40628%0.278SS..SBendtrans-117.584.7-175.9-1750000110.5D325 N328D325-S332 PolarHBondContact N-O 3.36Å; D325-S332 VanDerWaalsContact N-O 3.09Å; N328-S332 PolarHBondContact O-N 3.48Å; N328-S332 VanDerWaalsContact O-N 3.13Å
333F88.8Confident89.8Confident94 Ų9456.4 Ų56.441%0.41228%0.281SS..EExtended strand (participates in β ladder)trans-138.4156171.866-88.1000111.4V322 L323 Y324 D330V322-F333 HydrophobicContact CG1-CB 4.14Å; V322-F333 HydrophobicContact CG1-CD2 4.38Å; L323-F333 CarbonylContact O-C 3.52Å; L323-F333 WeakPolarHBondContact O-CA 3.22Å; L323-F333 WeakPolarHBondContact O-CB 3.32Å; Y324-F333 HydrophobicContact CD1-CB 4.2Å; D330-F333 WeakPolarHBondContact O-CE1 3.49Å
334R91.4Very high89.8Confident68 Ų6857.3 Ų57.326%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-131.5143.1173.3-171.5169.9-172.416312.8109.8V322 L323 W336 A369 R370 T371 D372V322-R334 CarbonylContact C-O 3.56Å; V322-R334 VanDerWaalsContact CA-O 3.3Å; V322-R334 WeakPolarHBondContact CA-O 3.19Å; L323-R334 HydrophobicContact CB-CB 4.4Å; L323-R334 PolarHBondContact N-O 3.23Å; L323-R334 PolarHBondContact O-N 3.23Å; R334-W336 HydrophobicContact CB-CH2 3.91Å; R334-W336 HydrophobicContact CB-CZ2 4.41Å; R334-W336 HydrophobicContact CB-CZ3 4.2Å; R334-W336 VanDerWaalsContact CD-CZ2 3.4Å; R334-W336 HydrophobicContact CG-CH2 3.77Å; R334-W336 HydrophobicContact CG-CZ2 3.77Å; R334-W336 HydrophobicContact CG-CZ3 4.21Å; R334-A369 PolarHBondContact NH1-O 3.36Å; R334-R370 VanDerWaalsContact NH1-CA 3.31Å; R334-R370 PolarHBondContact NH1-O 3.06Å; R334-R370 PolarHBondContact NH2-O 2.94Å; R334-T371 VanDerWaalsContact NH2-C 3.28Å; R334-D372 IonicContact CZ-OD1 3.43Å; R334-D372 VanDerWaalsContact CZ-OD1 3.3Å; R334-D372 IonicContact NE-OD1 2.71Å; R334-D372 PolarHBondContact NE-OD1 2.61Å; R334-D372 VanDerWaalsContact NE-OD1 3.12Å; R334-D372 IonicContact NH2-OD1 3.83Å; R334-D372 PolarHBondContact NH2-OD1 3.45Å; R334-D372 IonicContact NH2-OD2 3.12Å; R334-D372 PolarHBondContact NH2-OD2 3.26Å
335T93Very high90Very high66 Ų6657.2 Ų57.241%0.40528%0.282SS..EExtended strand (participates in β ladder)trans-126.4135-175.7-52.90000110.5T320 A321 V322T320-T335 HydrophobicContact CG2-CG2 4.18Å; A321-T335 CarbonylContact O-C 3.56Å; A321-T335 WeakPolarHBondContact O-CA 3.36Å; V322-T335 HydrophobicContact CG2-CG2 4.06Å
336W94.8Very high90.1Very high13 Ų1356.4 Ų56.45%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-115.9146.6169.3-60.7-95.1000109.5T320 A321 L323 R334 F338 F355 L367 T371T320-W336 CarbonylContact C-O 3.48Å; T320-W336 WeakPolarHBondContact CA-O 3.4Å; T320-W336 WeakPolarHBondContact CB-O 3.44Å; A321-W336 PolarHBondContact N-O 2.87Å; A321-W336 PolarHBondContact O-N 2.78Å; L323-W336 HydrophobicContact CB-CH2 3.73Å; L323-W336 HydrophobicContact CB-CZ3 3.53Å; L323-W336 HydrophobicContact CD2-CH2 3.96Å; L323-W336 HydrophobicContact CG-CH2 4.48Å; R334-W336 HydrophobicContact CB-CH2 3.91Å; R334-W336 HydrophobicContact CB-CZ2 4.41Å; R334-W336 HydrophobicContact CB-CZ3 4.2Å; R334-W336 VanDerWaalsContact CD-CZ2 3.4Å; R334-W336 HydrophobicContact CG-CH2 3.77Å; R334-W336 HydrophobicContact CG-CZ2 3.77Å; R334-W336 HydrophobicContact CG-CZ3 4.21Å; W336-F338 HydrophobicContact CB-CE2 4.14Å; W336-F338 HydrophobicContact CB-CZ 4.1Å; W336-F355 HydrophobicContact CD2-CE1 4.47Å; W336-F355 AromaticContact CD2-CZ 3.9Å; W336-F355 HydrophobicContact CD2-CZ 3.9Å; W336-F355 HydrophobicContact CE3-CE1 4.42Å; W336-F355 AromaticContact CE3-CZ 3.86Å; W336-F355 HydrophobicContact CE3-CZ 3.86Å; W336-F355 AromaticContact CH2-CE1 3.96Å; W336-F355 HydrophobicContact CH2-CE1 3.96Å; W336-F355 HydrophobicContact CH2-CZ 4.23Å; W336-F355 AromaticContact CZ2-CE1 3.99Å; W336-F355 HydrophobicContact CZ2-CE1 3.99Å; W336-F355 HydrophobicContact CZ2-CZ 4.25Å; W336-F355 HydrophobicContact CZ3-CE1 4.19Å; W336-F355 HydrophobicContact CZ3-CZ 4.04Å; W336-L367 HydrophobicContact CB-CD2 4.44Å; W336-L367 VanDerWaalsContact CD1-CD2 3.43Å; W336-L367 HydrophobicContact CG-CD2 3.96Å; W336-T371 PolarHBondContact NE1-O 2.78Å
337R94.3Very high90.5Very high192 Ų19255.9 Ų55.973%0.72527%0.273SS*.EExtended strand (participates in β ladder)trans-115.8133.3178.5-170.9178.9-174.395.93.2110K319 T320K319-R337 WeakPolarHBondContact O-CA 3.32Å; T320-R337 HydrophobicContact CG2-CG 4.48Å
338F93.8Very high90.8Very high16 Ų1648.3 Ų48.37%0.0725%0.246CC..  trans-109.8173.6-178.5-59.3-81.3000111.7K319 A321 W336 V342 A357 T359 Y365 L367K319-F338 PolarHBondContact O-N 2.87Å; A321-F338 HydrophobicContact CB-CE2 3.61Å; A321-F338 HydrophobicContact CB-CZ 4.27Å; W336-F338 HydrophobicContact CB-CE2 4.14Å; W336-F338 HydrophobicContact CB-CZ 4.1Å; F338-V342 HydrophobicContact CD2-CG2 3.52Å; F338-V342 HydrophobicContact CE2-CG2 4Å; F338-V342 HydrophobicContact CG-CG2 4.28Å; F338-A357 HydrophobicContact CE1-CB 3.85Å; F338-A357 HydrophobicContact CE2-CB 4.32Å; F338-A357 HydrophobicContact CZ-CB 3.65Å; F338-T359 HydrophobicContact CB-CG2 3.99Å; F338-T359 HydrophobicContact CG-CG2 4.35Å; F338-Y365 HydrophobicContact CD1-CD1 4.13Å; F338-Y365 AromaticContact CD1-CD2 3.55Å; F338-Y365 HydrophobicContact CD1-CD2 3.55Å; F338-Y365 HydrophobicContact CD1-CE1 4.4Å; F338-Y365 AromaticContact CD1-CE2 3.86Å; F338-Y365 HydrophobicContact CD1-CE2 3.86Å; F338-Y365 AromaticContact CD1-CG 3.71Å; F338-Y365 HydrophobicContact CD1-CG 3.71Å; F338-Y365 HydrophobicContact CE1-CD1 4.37Å; F338-Y365 AromaticContact CE1-CD2 3.97Å; F338-Y365 HydrophobicContact CE1-CD2 3.97Å; F338-Y365 AromaticContact CE1-CG 3.79Å; F338-Y365 HydrophobicContact CE1-CG 3.79Å; F338-L367 HydrophobicContact CE1-CD1 3.83Å; F338-L367 HydrophobicContact CZ-CD1 4Å
339S91.8Very high90.8Very high52 Ų5246.9 Ų46.936%0.36424%0.236SC..SBendtrans-70.9-40.2176.862.20000112.5K319 D361 Y365K319-S339 WeakPolarHBondContact CD-O 3.48Å; K319-S339 PolarHBondContact NZ-O 3.33Å; S339-D361 VanDerWaalsContact C-OD2 3.25Å; S339-D361 WeakPolarHBondContact CB-OD2 3.34Å; S339-D361 PolarHBondContact OG-OD2 3.5Å; S339-Y365 PolarHBondContact OG-OH 2.97Å
340G92.3Very high91.2Very high0 Ų047.7 Ų47.70%024%0.238CC..SBendtrans-123.8-179.3-174.900000112.6K319 D361K319-G340 WeakPolarHBondContact CA-O 3.47Å; K319-G340 VanDerWaalsContact CB-O 3.31Å; K319-G340 WeakPolarHBondContact CB-O 3.47Å; K319-G340 WeakPolarHBondContact CG-O 3.38Å; G340-D361 VanDerWaalsContact CA-OD2 3.27Å; G340-D361 WeakPolarHBondContact CA-OD2 3.35Å; G340-D361 PolarHBondContact N-OD2 3.19Å; G340-D361 VanDerWaalsContact N-OD2 3.11Å
341Q95.2Very high91.7Very high44 Ų4443.3 Ų43.321%0.20622%0.217CC..  trans-63.1143.5174.3-58173.349.500109.1Y317 T359 E360Y317-Q341 HydrophobicContact CD2-CB 4.41Å; Q341-T359 CarbonylContact O-C 3.51Å; Q341-T359 WeakPolarHBondContact O-CA 3.1Å; Q341-T359 WeakPolarHBondContact O-CB 3.39Å; Q341-E360 HydrophobicContact CB-CB 4.13Å; Q341-E360 VanDerWaalsContact CG-OE2 3.29Å; Q341-E360 WeakPolarHBondContact CG-OE2 3.34Å; Q341-E360 PolarHBondContact NE2-OE2 3.16Å; Q341-E360 PolarHBondContact O-N 2.77Å
342V96.1Very high91.9Very high0 Ų041.5 Ų41.50%020%0.203CC..EExtended strand (participates in β ladder)trans-87.6116.6-179.4-1790000108.7Q300 T301 S316 F338 L345 S358Q300-V342 WeakPolarHBondContact CB-O 3.33Å; T301-V342 HydrophobicContact CG2-CG1 4.22Å; S316-V342 PolarHBondContact O-N 2.71Å; F338-V342 HydrophobicContact CD2-CG2 3.52Å; F338-V342 HydrophobicContact CE2-CG2 4Å; F338-V342 HydrophobicContact CG-CG2 4.28Å; V342-L345 HydrophobicContact CG1-CD1 4.49Å; V342-L345 HydrophobicContact CG1-CD2 4.22Å; V342-L345 HydrophobicContact CG1-CG 4.02Å; V342-S358 WeakPolarHBondContact CA-O 3.41Å
343E95Very high92.1Very high16 Ų1642.7 Ų42.78%0.07520%0.201CC..EExtended strand (participates in β ladder)trans-86.4-51.1-179.8-70.5-51.3127.900111.5Q300 S358 E384 V385Q300-E343 PolarHBondContact NE2-OE2 3.23Å; E343-S358 PolarHBondContact N-O 2.88Å; E343-E384 HydrophobicContact CG-CB 4.31Å; E343-V385 WeakPolarHBondContact CB-O 3.37Å
344R95.2Very high92.3Very high45 Ų4539.1 Ų39.117%0.1719%0.186CC..EExtended strand (participates in β ladder)trans-141.5138.7-173.4-154.467.5173.869.621.3112.8D258 T301 R303 A357 S358 L388D258-R344 IonicContact OD2-NH1 3.18Å; T301-R344 PolarHBondContact OG1-NH1 2.87Å; R303-R344 VanDerWaalsContact CZ-CZ 3.49Å; R303-R344 VanDerWaalsContact CZ-NH2 3.25Å; R344-A357 CarbonylContact O-C 3.5Å; R344-A357 WeakPolarHBondContact O-CA 3.19Å; R344-S358 WeakPolarHBondContact CA-OG 3.5Å; R344-S358 WeakPolarHBondContact CB-OG 3.5Å; R344-S358 PolarHBondContact N-OG 2.94Å; R344-S358 PolarHBondContact O-N 2.75Å; R344-S358 PolarHBondContact O-OG 2.9Å; R344-L388 HydrophobicContact CB-CB 3.88Å; R344-L388 HydrophobicContact CG-CB 3.94Å
345L95.6Very high92.4Very high0 Ų035.9 Ų35.90%017%0.174CC..EExtended strand (participates in β ladder)trans-117.7137.2172.8-71.9170.1000110.8T301 R303 I313 S314 A321 V342 F355 L356 A357T301-L345 HydrophobicContact CG2-CB 3.87Å; T301-L345 HydrophobicContact CG2-CD1 3.88Å; T301-L345 HydrophobicContact CG2-CG 3.67Å; T301-L345 PolarHBondContact OG1-N 3.28Å; R303-L345 WeakPolarHBondContact CG-O 3.5Å; I313-L345 HydrophobicContact CD1-CD1 4.38Å; I313-L345 HydrophobicContact CD1-CD2 4.32Å; I313-L345 HydrophobicContact CG1-CD1 4.04Å; I313-L345 HydrophobicContact CG2-CB 4.26Å; I313-L345 HydrophobicContact CG2-CD1 4.06Å; S314-L345 WeakPolarHBondContact O-CD1 3.44Å; A321-L345 HydrophobicContact CB-CD1 4.16Å; A321-L345 HydrophobicContact CB-CD2 4.25Å; V342-L345 HydrophobicContact CG1-CD1 4.49Å; V342-L345 HydrophobicContact CG1-CD2 4.22Å; V342-L345 HydrophobicContact CG1-CG 4.02Å; L345-F355 HydrophobicContact CD2-CD2 4.11Å; L345-F355 HydrophobicContact CD2-CE2 4.26Å; L345-L356 WeakPolarHBondContact CA-O 3.39Å; L345-A357 HydrophobicContact CD2-CB 3.46Å; L345-A357 VanDerWaalsContact CD2-CB 3.46Å
346V95.2Very high92.6Very high12 Ų1232.8 Ų32.87%0.07316%0.155CC..EExtended strand (participates in β ladder)trans-139.1129.4176.4176.30000110.2F355 L356 L388 L390V346-F355 CarbonylContact O-C 3.49Å; V346-F355 WeakPolarHBondContact O-CA 3.29Å; V346-L356 PolarHBondContact N-O 3.36Å; V346-L356 PolarHBondContact O-N 2.58Å; V346-L388 HydrophobicContact CB-CD2 4.36Å; V346-L388 HydrophobicContact CG2-CB 4.38Å; V346-L388 HydrophobicContact CG2-CD2 4.16Å; V346-L388 HydrophobicContact CG2-CG 4.13Å; V346-L388 WeakPolarHBondContact CG2-O 3.23Å; V346-L390 HydrophobicContact CG1-CD1 4.13Å; V346-L390 HydrophobicContact CG1-CG 4.3Å
347W94.6Very high92.6Very high15 Ų1532.1 Ų32.16%0.05715%0.153CC..EExtended strand (participates in β ladder)trans-74.9139.9168.9-76106.5000110.7R303 H305 P306 T311 I313 L323 H349 F355 A369R303-W347 PolarHBondContact O-NE1 3.1Å; H305-W347 HydrophobicContact CB-CZ2 4.44Å; H305-W347 AromaticContact CD2-CD2 3.66Å; H305-W347 AromaticContact CD2-CE2 3.89Å; H305-W347 AromaticContact CD2-CE3 3.55Å; H305-W347 AromaticContact CD2-CH2 3.96Å; H305-W347 AromaticContact CD2-CZ3 3.72Å; P306-W347 HydrophobicContact CG-CB 4.07Å; T311-W347 HydrophobicContact CG2-CH2 4.42Å; T311-W347 HydrophobicContact CG2-CZ2 4.15Å; I313-W347 HydrophobicContact CB-CZ2 3.84Å; I313-W347 HydrophobicContact CD1-CZ2 4.45Å; I313-W347 HydrophobicContact CG2-CZ2 4.03Å; L323-W347 HydrophobicContact CD1-CH2 3.68Å; L323-W347 HydrophobicContact CD1-CZ2 3.5Å; W347-H349 PolarHBondContact O-N 2.98Å; W347-H349 VanDerWaalsContact O-N 3.11Å; W347-F355 HydrophobicContact CD2-CB 4.1Å; W347-F355 HydrophobicContact CE3-CB 3.67Å; W347-F355 HydrophobicContact CH2-CB 4.5Å; W347-F355 HydrophobicContact CH2-CD1 4.25Å; W347-F355 HydrophobicContact CZ3-CB 3.89Å; W347-F355 HydrophobicContact CZ3-CD1 4.04Å; W347-F355 HydrophobicContact CZ3-CG 4.39Å; W347-A369 HydrophobicContact CH2-CB 4.16Å; W347-A369 HydrophobicContact CZ3-CB 4.22Å
348N90.9Very high92.7Very high19 Ų1923 Ų2310%0.10212%0.118CC..  trans-76.799.5169.4-171-21.9000109.3F350 S351 N354 L390N348-F350 PolarHBondContact O-N 3.28Å; N348-F350 VanDerWaalsContact O-N 3.09Å; N348-F350 WeakPolarHBondContact OD1-CA 3.19Å; N348-F350 VanDerWaalsContact OD1-CB 3.3Å; N348-F350 WeakPolarHBondContact OD1-CB 3.41Å; N348-F350 PolarHBondContact OD1-N 3.41Å; N348-S351 CarbonylContact O-C 3.57Å; N348-S351 PolarHBondContact O-N 3.34Å; N348-S351 PolarHBondContact OD1-N 2.86Å; N348-N354 HydrophobicContact CB-CB 3.97Å; N348-N354 VanDerWaalsContact CB-O 3.23Å; N348-N354 WeakPolarHBondContact CB-O 3.44Å; N348-N354 PolarHBondContact N-O 3.3Å; N348-L390 HydrophobicContact CB-CD1 4.06Å
349H86.8Confident92.8Very high49 Ų4922.2 Ų22.223%0.22712%0.115CC..THydrogen-bonded Turntrans-67.4-6.7177.362.3-71.4000113.6P306 F307 W347 S391 S392P306-H349 HydrophobicContact CB-CB 4.42Å; P306-H349 HydrophobicContact CG-CB 4.29Å; F307-H349 VanDerWaalsContact CE2-O 3.25Å; F307-H349 WeakPolarHBondContact CE2-O 3.34Å; F307-H349 WeakPolarHBondContact CZ-O 3.13Å; W347-H349 PolarHBondContact O-N 2.98Å; W347-H349 VanDerWaalsContact O-N 3.11Å; H349-S391 PolarHBondContact CE1-O 2.72Å; H349-S391 PolarHBondContact NE2-O 3.41Å; H349-S392 PolarHBondContact NE2-O 3.13Å
350F87.2Confident93Very high37 Ų3723.1 Ų23.116%0.16211%0.113CC..THydrogen-bonded Turntrans-91.5-17.3169-53.2-72.2000113.6N348 S391 Q393 I394 K395 M473N348-F350 PolarHBondContact O-N 3.28Å; N348-F350 VanDerWaalsContact O-N 3.09Å; N348-F350 WeakPolarHBondContact OD1-CA 3.19Å; N348-F350 VanDerWaalsContact OD1-CB 3.3Å; N348-F350 WeakPolarHBondContact OD1-CB 3.41Å; N348-F350 PolarHBondContact OD1-N 3.41Å; F350-S391 VanDerWaalsContact CE2-O 3.3Å; F350-S391 WeakPolarHBondContact CE2-O 3.18Å; F350-S391 WeakPolarHBondContact CZ-O 3.41Å; F350-Q393 VanDerWaalsContact CZ-C 3.47Å; F350-I394 VanDerWaalsContact CE2-O 3.31Å; F350-I394 WeakPolarHBondContact CE2-O 3.37Å; F350-I394 WeakPolarHBondContact CZ-O 3.44Å; F350-K395 HydrophobicContact CB-CD 4.39Å; F350-K395 HydrophobicContact CB-CG 3.9Å; F350-K395 HydrophobicContact CD1-CD 4.33Å; F350-K395 HydrophobicContact CD1-CG 3.43Å; F350-K395 VanDerWaalsContact CD1-CG 3.43Å; F350-K395 HydrophobicContact CD2-CG 4.09Å; F350-K395 HydrophobicContact CE1-CG 3.89Å; F350-K395 HydrophobicContact CE2-CG 4.47Å; F350-K395 HydrophobicContact CG-CB 4.4Å; F350-K395 HydrophobicContact CG-CD 4.47Å; F350-K395 HydrophobicContact CG-CG 3.54Å; F350-K395 HydrophobicContact CZ-CG 4.38Å; F350-M473 HydrophobicContact CD1-CB 4.36Å; F350-M473 HydrophobicContact CD1-CG 4.31Å; F350-M473 HydrophobicContact CE1-CB 3.98Å; F350-M473 HydrophobicContact CE1-CG 4.23Å
351S87.4Confident93Very high30 Ų3026.3 Ų26.321%0.2113%0.13CC..  trans-139.6102.1-179.1175.90000109.4N348 F353 N354N348-S351 CarbonylContact O-C 3.57Å; N348-S351 PolarHBondContact O-N 3.34Å; N348-S351 PolarHBondContact OD1-N 2.86Å; S351-F353 PolarHBondContact O-N 2.97Å; S351-N354 PolarHBondContact O-N 3.21Å; S351-N354 PolarHBondContact OG-ND2 2.96Å
352P85.5Confident93Very high46 Ų4624.2 Ų24.230%0.29912%0.12SC..THydrogen-bonded Turntrans-59.9-20.5-173.524.7-34.7000113.2H305 F307H305-P352 PolarHBondContact NE2-O 3Å; F307-P352 HydrophobicContact CD2-CB 3.84Å; F307-P352 HydrophobicContact CE2-CB 4.42Å
353F89.3Confident93Very high82 Ų8227.1 Ų27.136%0.3613%0.133SC..THydrogen-bonded Turntrans-87.9-14.1-178-51.2-63.4000113.1S351 D368 A369 R370S351-F353 PolarHBondContact O-N 2.97Å; F353-D368 CarbonylContact O-C 3.57Å; F353-D368 WeakPolarHBondContact O-CA 3.4Å; F353-A369 WeakPolarHBondContact O-CB 3.26Å; F353-A369 PolarHBondContact O-N 2.68Å; F353-R370 HydrophobicContact CD1-CG 4.28Å
354N92.7Very high93Very high20 Ų2026.4 Ų26.411%0.10713%0.13CC..EExtended strand (participates in β ladder)trans-105.3140.2-170.9-62.2-9.9000111.6N348 S351 L367N348-N354 HydrophobicContact CB-CB 3.97Å; N348-N354 VanDerWaalsContact CB-O 3.23Å; N348-N354 WeakPolarHBondContact CB-O 3.44Å; N348-N354 PolarHBondContact N-O 3.3Å; S351-N354 PolarHBondContact O-N 3.21Å; S351-N354 PolarHBondContact OG-ND2 2.96Å; N354-L367 CarbonylContact C-O 3.58Å; N354-L367 VanDerWaalsContact CA-O 3.23Å; N354-L367 WeakPolarHBondContact CA-O 3.28Å
355F94.8Very high93Very high0 Ų025.7 Ų25.70%013%0.127CC..EExtended strand (participates in β ladder)trans-132.1159.2167.769.1-87.7000110.4I313 W336 L345 V346 W347 C366 L367 A369I313-F355 HydrophobicContact CD1-CB 4.49Å; I313-F355 HydrophobicContact CD1-CD1 3.93Å; I313-F355 HydrophobicContact CD1-CD2 3.47Å; I313-F355 VanDerWaalsContact CD1-CD2 3.47Å; I313-F355 HydrophobicContact CD1-CE1 3.92Å; I313-F355 HydrophobicContact CD1-CE2 3.45Å; I313-F355 VanDerWaalsContact CD1-CE2 3.45Å; I313-F355 HydrophobicContact CD1-CG 3.71Å; I313-F355 HydrophobicContact CD1-CZ 3.69Å; W336-F355 HydrophobicContact CD2-CE1 4.47Å; W336-F355 AromaticContact CD2-CZ 3.9Å; W336-F355 HydrophobicContact CD2-CZ 3.9Å; W336-F355 HydrophobicContact CE3-CE1 4.42Å; W336-F355 AromaticContact CE3-CZ 3.86Å; W336-F355 HydrophobicContact CE3-CZ 3.86Å; W336-F355 AromaticContact CH2-CE1 3.96Å; W336-F355 HydrophobicContact CH2-CE1 3.96Å; W336-F355 HydrophobicContact CH2-CZ 4.23Å; W336-F355 AromaticContact CZ2-CE1 3.99Å; W336-F355 HydrophobicContact CZ2-CE1 3.99Å; W336-F355 HydrophobicContact CZ2-CZ 4.25Å; W336-F355 HydrophobicContact CZ3-CE1 4.19Å; W336-F355 HydrophobicContact CZ3-CZ 4.04Å; L345-F355 HydrophobicContact CD2-CD2 4.11Å; L345-F355 HydrophobicContact CD2-CE2 4.26Å; V346-F355 CarbonylContact O-C 3.49Å; V346-F355 WeakPolarHBondContact O-CA 3.29Å; W347-F355 HydrophobicContact CD2-CB 4.1Å; W347-F355 HydrophobicContact CE3-CB 3.67Å; W347-F355 HydrophobicContact CH2-CB 4.5Å; W347-F355 HydrophobicContact CH2-CD1 4.25Å; W347-F355 HydrophobicContact CZ3-CB 3.89Å; W347-F355 HydrophobicContact CZ3-CD1 4.04Å; W347-F355 HydrophobicContact CZ3-CG 4.39Å; F355-C366 WeakPolarHBondContact O-CA 3.33Å; F355-L367 HydrophobicContact CD1-CB 4.39Å; F355-L367 HydrophobicContact CD2-CD1 4.44Å; F355-L367 HydrophobicContact CE1-CB 3.81Å; F355-L367 HydrophobicContact CE2-CB 4.25Å; F355-L367 HydrophobicContact CE2-CD1 3.74Å; F355-L367 HydrophobicContact CZ-CB 3.74Å; F355-L367 HydrophobicContact CZ-CD1 3.94Å; F355-L367 HydrophobicContact CZ-CD2 4.44Å; F355-L367 HydrophobicContact CZ-CG 4.25Å; F355-L367 PolarHBondContact N-O 3.45Å; F355-L367 PolarHBondContact O-N 2.83Å; F355-A369 HydrophobicContact CD1-CB 4.31Å; F355-A369 HydrophobicContact CE1-CB 4.34Å
356L95.4Very high93Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-114140.9174.6-62.9119.1000109.4L345 V346 V364 Y365 C366 F376 L388 L390 L398 I412L345-L356 WeakPolarHBondContact CA-O 3.39Å; V346-L356 PolarHBondContact N-O 3.36Å; V346-L356 PolarHBondContact O-N 2.58Å; L356-V364 HydrophobicContact CD2-CG1 4.01Å; L356-Y365 CarbonylContact C-O 3.13Å; L356-Y365 VanDerWaalsContact CA-O 3.25Å; L356-Y365 WeakPolarHBondContact CA-O 3.22Å; L356-C366 HydrophobicContact CD2-CB 3.98Å; L356-C366 HydrophobicContact CG-CB 4.37Å; L356-F376 HydrophobicContact CD2-CZ 4.24Å; L356-L388 HydrophobicContact CB-CD2 3.86Å; L356-L390 HydrophobicContact CD1-CD1 3.69Å; L356-L390 HydrophobicContact CD1-CD2 3.99Å; L356-L390 HydrophobicContact CD1-CG 4Å; L356-L398 HydrophobicContact CD2-CD2 4.06Å; L356-I412 HydrophobicContact CD1-CD1 4.4Å; L356-I412 HydrophobicContact CD2-CD1 4.18Å
357A96.2Very high92.9Very high0 Ų025.5 Ų25.50%013%0.126CC..EExtended strand (participates in β ladder)trans-126.7127.1174.600000109.3F338 R344 L345 V364 Y365F338-A357 HydrophobicContact CE1-CB 3.85Å; F338-A357 HydrophobicContact CE2-CB 4.32Å; F338-A357 HydrophobicContact CZ-CB 3.65Å; R344-A357 CarbonylContact O-C 3.5Å; R344-A357 WeakPolarHBondContact O-CA 3.19Å; L345-A357 HydrophobicContact CD2-CB 3.46Å; L345-A357 VanDerWaalsContact CD2-CB 3.46Å; A357-V364 CarbonylContact O-C 3.53Å; A357-V364 WeakPolarHBondContact O-CA 3.11Å; A357-Y365 PolarHBondContact N-O 2.79Å; A357-Y365 PolarHBondContact O-N 2.95Å
358S96.2Very high92.8Very high0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-97.9152.6170.271.50000110.9V342 E343 R344 F363 V385V342-S358 WeakPolarHBondContact CA-O 3.41Å; E343-S358 PolarHBondContact N-O 2.88Å; R344-S358 WeakPolarHBondContact CA-OG 3.5Å; R344-S358 WeakPolarHBondContact CB-OG 3.5Å; R344-S358 PolarHBondContact N-OG 2.94Å; R344-S358 PolarHBondContact O-N 2.75Å; R344-S358 PolarHBondContact O-OG 2.9Å; S358-F363 WeakPolarHBondContact CA-O 3.47Å; S358-V385 PolarHBondContact OG-O 3.27Å
359T95.8Very high92.8Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-129.6159-17960.60000112.7F338 Q341 D361 G362 F363 Y365 V385F338-T359 HydrophobicContact CB-CG2 3.99Å; F338-T359 HydrophobicContact CG-CG2 4.35Å; Q341-T359 CarbonylContact O-C 3.51Å; Q341-T359 WeakPolarHBondContact O-CA 3.1Å; Q341-T359 WeakPolarHBondContact O-CB 3.39Å; T359-D361 PolarHBondContact O-N 3.38Å; T359-G362 PolarHBondContact O-N 3.26Å; T359-G362 VanDerWaalsContact O-N 3.16Å; T359-F363 PolarHBondContact N-O 2.83Å; T359-F363 WeakPolarHBondContact OG1-CB 3.33Å; T359-F363 PolarHBondContact OG1-N 3.08Å; T359-F363 PolarHBondContact OG1-O 3.28Å; T359-F363 VanDerWaalsContact OG1-O 3.11Å; T359-Y365 HydrophobicContact CG2-CD2 4.01Å; T359-Y365 HydrophobicContact CG2-CE2 3.64Å; T359-V385 PolarHBondContact O-N 3.3Å
360E94.8Very high92.8Very high71 Ų7129.7 Ų29.733%0.33214%0.143SC..THydrogen-bonded Turntrans-55.1-33.3172.1-174.2-168.8-174.800112.9Q341 G362 E383 E384Q341-E360 HydrophobicContact CB-CB 4.13Å; Q341-E360 VanDerWaalsContact CG-OE2 3.29Å; Q341-E360 WeakPolarHBondContact CG-OE2 3.34Å; Q341-E360 PolarHBondContact NE2-OE2 3.16Å; Q341-E360 PolarHBondContact O-N 2.77Å; E360-G362 PolarHBondContact O-N 2.88Å; E360-E383 CarbonylContact O-C 3.54Å; E360-E384 HydrophobicContact CB-CB 4.38Å; E360-E384 HydrophobicContact CG-CB 4.21Å; E360-E384 WeakPolarHBondContact O-CA 3.16Å; E360-E384 PolarHBondContact O-N 3.18Å; E360-E384 VanDerWaalsContact O-N 3.1Å
361D94.1Very high92.9Very high67 Ų6730.7 Ų30.736%0.35815%0.152SC..THydrogen-bonded Turntrans-73.96-179.7-62.5-28.4000114S339 G340 T359 F363S339-D361 VanDerWaalsContact C-OD2 3.25Å; S339-D361 WeakPolarHBondContact CB-OD2 3.34Å; S339-D361 PolarHBondContact OG-OD2 3.5Å; G340-D361 VanDerWaalsContact CA-OD2 3.27Å; G340-D361 WeakPolarHBondContact CA-OD2 3.35Å; G340-D361 PolarHBondContact N-OD2 3.19Å; G340-D361 VanDerWaalsContact N-OD2 3.11Å; T359-D361 PolarHBondContact O-N 3.38Å; D361-F363 VanDerWaalsContact C-N 3.34Å; D361-F363 HydrophobicContact CB-CD2 3.75Å; D361-F363 HydrophobicContact CB-CE2 4.19Å; D361-F363 WeakPolarHBondContact O-CD2 3.28Å; D361-F363 PolarHBondContact O-N 3.06Å
362G93.8Very high92.7Very high0 Ų034.6 Ų34.60%017%0.17CC..SBendtrans834.8-178.800000115.6T359 E360 A380 H381 E383T359-G362 PolarHBondContact O-N 3.26Å; T359-G362 VanDerWaalsContact O-N 3.16Å; E360-G362 PolarHBondContact O-N 2.88Å; G362-A380 PolarHBondContact O-N 3.43Å; G362-H381 WeakPolarHBondContact CA-O 3.41Å; G362-H381 PolarHBondContact O-N 3.02Å; G362-E383 WeakPolarHBondContact CA-O 3.14Å; G362-E383 PolarHBondContact N-O 3.29Å
363F95.9Very high92.7Very high61 Ų6140.5 Ų40.527%0.26819%0.191SC..EExtended strand (participates in β ladder)trans-89147.1177.9-68.6-89.6000112.9S358 T359 D361 Y365 T377 L378 K379S358-F363 WeakPolarHBondContact CA-O 3.47Å; T359-F363 PolarHBondContact N-O 2.83Å; T359-F363 WeakPolarHBondContact OG1-CB 3.33Å; T359-F363 PolarHBondContact OG1-N 3.08Å; T359-F363 PolarHBondContact OG1-O 3.28Å; T359-F363 VanDerWaalsContact OG1-O 3.11Å; D361-F363 VanDerWaalsContact C-N 3.34Å; D361-F363 HydrophobicContact CB-CD2 3.75Å; D361-F363 HydrophobicContact CB-CE2 4.19Å; D361-F363 WeakPolarHBondContact O-CD2 3.28Å; D361-F363 PolarHBondContact O-N 3.06Å; F363-Y365 HydrophobicContact CB-CD2 4.2Å; F363-Y365 HydrophobicContact CB-CE2 3.47Å; F363-Y365 VanDerWaalsContact CB-CE2 3.47Å; F363-Y365 HydrophobicContact CG-CE2 4.41Å; F363-T377 HydrophobicContact CD1-CG2 3.76Å; F363-T377 HydrophobicContact CE1-CG2 4.39Å; F363-L378 CarbonylContact C-O 3.6Å; F363-L378 VanDerWaalsContact CA-O 3.3Å; F363-L378 WeakPolarHBondContact CA-O 3.5Å; F363-K379 HydrophobicContact CD1-CB 3.97Å; F363-K379 HydrophobicContact CD1-CG 4.41Å; F363-K379 HydrophobicContact CE1-CB 3.71Å; F363-K379 HydrophobicContact CE1-CD 4.48Å; F363-K379 HydrophobicContact CE1-CG 4.1Å; F363-K379 HydrophobicContact CZ-CB 4.31Å; F363-K379 HydrophobicContact CZ-CD 4.24Å; F363-K379 HydrophobicContact CZ-CG 4.23Å
364V96.3Very high92.8Very high0 Ų039.4 Ų39.40%019%0.192CC..EExtended strand (participates in β ladder)trans-120.7125.4167.2178.50000108.2L356 A357 L378 A380 V385 L388 L398 T400L356-V364 HydrophobicContact CD2-CG1 4.01Å; A357-V364 CarbonylContact O-C 3.53Å; A357-V364 WeakPolarHBondContact O-CA 3.11Å; V364-L378 HydrophobicContact CB-CB 4.38Å; V364-L378 PolarHBondContact N-O 2.75Å; V364-L378 PolarHBondContact O-N 3.1Å; V364-A380 HydrophobicContact CG2-CB 3.87Å; V364-V385 HydrophobicContact CG2-CG1 4.26Å; V364-L388 HydrophobicContact CG1-CD1 3.99Å; V364-L388 HydrophobicContact CG2-CD1 4.23Å; V364-L398 HydrophobicContact CG1-CD2 4.38Å; V364-T400 HydrophobicContact CG2-CG2 4.19Å
365Y95.2Very high92.8Very high30 Ų3041.6 Ų41.612%0.11820%0.204CC..EExtended strand (participates in β ladder)trans-109.1131.6179-61.2-98.5000109F338 S339 L356 A357 T359 F363 T377F338-Y365 HydrophobicContact CD1-CD1 4.13Å; F338-Y365 AromaticContact CD1-CD2 3.55Å; F338-Y365 HydrophobicContact CD1-CD2 3.55Å; F338-Y365 HydrophobicContact CD1-CE1 4.4Å; F338-Y365 AromaticContact CD1-CE2 3.86Å; F338-Y365 HydrophobicContact CD1-CE2 3.86Å; F338-Y365 AromaticContact CD1-CG 3.71Å; F338-Y365 HydrophobicContact CD1-CG 3.71Å; F338-Y365 HydrophobicContact CE1-CD1 4.37Å; F338-Y365 AromaticContact CE1-CD2 3.97Å; F338-Y365 HydrophobicContact CE1-CD2 3.97Å; F338-Y365 AromaticContact CE1-CG 3.79Å; F338-Y365 HydrophobicContact CE1-CG 3.79Å; S339-Y365 PolarHBondContact OG-OH 2.97Å; L356-Y365 CarbonylContact C-O 3.13Å; L356-Y365 VanDerWaalsContact CA-O 3.25Å; L356-Y365 WeakPolarHBondContact CA-O 3.22Å; A357-Y365 PolarHBondContact N-O 2.79Å; A357-Y365 PolarHBondContact O-N 2.95Å; T359-Y365 HydrophobicContact CG2-CD2 4.01Å; T359-Y365 HydrophobicContact CG2-CE2 3.64Å; F363-Y365 HydrophobicContact CB-CD2 4.2Å; F363-Y365 HydrophobicContact CB-CE2 3.47Å; F363-Y365 VanDerWaalsContact CB-CE2 3.47Å; F363-Y365 HydrophobicContact CG-CE2 4.41Å; Y365-T377 HydrophobicContact CD1-CG2 3.84Å; Y365-T377 WeakPolarHBondContact CD1-OG1 2.75Å; Y365-T377 HydrophobicContact CE1-CG2 3.57Å
366C94.7Very high92.7Very high2 Ų242.4 Ų42.41%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-107.9123.6168-175.80000109F355 L356 P374 L375 F376F355-C366 WeakPolarHBondContact O-CA 3.33Å; L356-C366 HydrophobicContact CD2-CB 3.98Å; L356-C366 HydrophobicContact CG-CB 4.37Å; C366-P374 CarbonylContact O-C 3.59Å; C366-P374 WeakPolarHBondContact O-CA 3.36Å; C366-L375 PolarHBondContact O-N 2.84Å; C366-F376 HydrophobicContact CB-CD1 3.62Å; C366-F376 HydrophobicContact CB-CD2 4.19Å; C366-F376 HydrophobicContact CB-CE1 3.21Å; C366-F376 HydrophobicContact CB-CE2 3.83Å; C366-F376 HydrophobicContact CB-CG 4.1Å; C366-F376 HydrophobicContact CB-CZ 3.33Å; C366-F376 PolarHBondContact N-O 2.86Å; C366-F376 PolarHBondContact O-N 2.81Å
367L93.6Very high92.6Very high6 Ų645.7 Ų45.73%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-124.7149.3-177.3-59.299000110.4W336 F338 N354 F355 P374W336-L367 HydrophobicContact CB-CD2 4.44Å; W336-L367 VanDerWaalsContact CD1-CD2 3.43Å; W336-L367 HydrophobicContact CG-CD2 3.96Å; F338-L367 HydrophobicContact CE1-CD1 3.83Å; F338-L367 HydrophobicContact CZ-CD1 4Å; N354-L367 CarbonylContact C-O 3.58Å; N354-L367 VanDerWaalsContact CA-O 3.23Å; N354-L367 WeakPolarHBondContact CA-O 3.28Å; F355-L367 HydrophobicContact CD1-CB 4.39Å; F355-L367 HydrophobicContact CD2-CD1 4.44Å; F355-L367 HydrophobicContact CE1-CB 3.81Å; F355-L367 HydrophobicContact CE2-CB 4.25Å; F355-L367 HydrophobicContact CE2-CD1 3.74Å; F355-L367 HydrophobicContact CZ-CB 3.74Å; F355-L367 HydrophobicContact CZ-CD1 3.94Å; F355-L367 HydrophobicContact CZ-CD2 4.44Å; F355-L367 HydrophobicContact CZ-CG 4.25Å; F355-L367 PolarHBondContact N-O 3.45Å; F355-L367 PolarHBondContact O-N 2.83Å; L367-P374 HydrophobicContact CD2-CB 4.41Å; L367-P374 HydrophobicContact CG-CB 4.18Å
368D92.6Very high92.6Very high16 Ų1646.4 Ų46.49%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-92.1121.7163.6-180-26.7000107.7F353 R370 T371 L375F353-D368 CarbonylContact O-C 3.57Å; F353-D368 WeakPolarHBondContact O-CA 3.4Å; D368-R370 PolarHBondContact O-N 2.92Å; D368-R370 VanDerWaalsContact OD1-CB 3.25Å; D368-R370 WeakPolarHBondContact OD1-CB 3.49Å; D368-R370 WeakPolarHBondContact OD1-CG 3.5Å; D368-R370 IonicContact OD1-CZ 3.89Å; D368-R370 PolarHBondContact OD1-N 2.94Å; D368-R370 IonicContact OD1-NE 3.93Å; D368-R370 PolarHBondContact OD1-NE 3.45Å; D368-R370 IonicContact OD1-NH2 3.29Å; D368-R370 IonicContact OD2-CZ 2.78Å; D368-R370 IonicContact OD2-NE 3.84Å; D368-R370 PolarHBondContact OD2-NE 2.91Å; D368-R370 IonicContact OD2-NH2 3.22Å; D368-R370 PolarHBondContact OD2-NH2 3.47Å; D368-T371 HydrophobicContact CB-CG2 4.47Å; D368-T371 PolarHBondContact O-N 2.98Å; D368-T371 PolarHBondContact O-OG1 3.24Å; D368-L375 HydrophobicContact CB-CD1 4.39Å; D368-L375 HydrophobicContact CB-CD2 4.48Å; D368-L375 HydrophobicContact CB-CG 4.43Å
369A89.8Confident92.5Very high14 Ų1451.8 Ų51.812%0.11626%0.255CS..THydrogen-bonded Turntrans-55.2-18.8-179.400000113.8L323 R334 W347 F353 F355L323-A369 HydrophobicContact CD2-CB 4.15Å; R334-A369 PolarHBondContact NH1-O 3.36Å; W347-A369 HydrophobicContact CH2-CB 4.16Å; W347-A369 HydrophobicContact CZ3-CB 4.22Å; F353-A369 WeakPolarHBondContact O-CB 3.26Å; F353-A369 PolarHBondContact O-N 2.68Å; F355-A369 HydrophobicContact CD1-CB 4.31Å; F355-A369 HydrophobicContact CE1-CB 4.34Å
370R88.4Confident92.3Very high142 Ų14251.9 Ų51.954%0.53626%0.255SS..THydrogen-bonded Turntrans-87.9-14.1177.4-55.7170.2-62.9-179.24.7112.8R334 F353 D368R334-R370 VanDerWaalsContact NH1-CA 3.31Å; R334-R370 PolarHBondContact NH1-O 3.06Å; R334-R370 PolarHBondContact NH2-O 2.94Å; F353-R370 HydrophobicContact CD1-CG 4.28Å; D368-R370 PolarHBondContact O-N 2.92Å; D368-R370 VanDerWaalsContact OD1-CB 3.25Å; D368-R370 WeakPolarHBondContact OD1-CB 3.49Å; D368-R370 WeakPolarHBondContact OD1-CG 3.5Å; D368-R370 IonicContact OD1-CZ 3.89Å; D368-R370 PolarHBondContact OD1-N 2.94Å; D368-R370 IonicContact OD1-NE 3.93Å; D368-R370 PolarHBondContact OD1-NE 3.45Å; D368-R370 IonicContact OD1-NH2 3.29Å; D368-R370 IonicContact OD2-CZ 2.78Å; D368-R370 IonicContact OD2-NE 3.84Å; D368-R370 PolarHBondContact OD2-NE 2.91Å; D368-R370 IonicContact OD2-NH2 3.22Å; D368-R370 PolarHBondContact OD2-NH2 3.47Å
371T88.1Confident92.3Very high58 Ų5848.6 Ų48.636%0.35624%0.24SC..  trans-124.5154.2-176.171.70000112.5R334 W336 D368 K373R334-T371 VanDerWaalsContact NH2-C 3.28Å; W336-T371 PolarHBondContact NE1-O 2.78Å; D368-T371 HydrophobicContact CB-CG2 4.47Å; D368-T371 PolarHBondContact O-N 2.98Å; D368-T371 PolarHBondContact O-OG1 3.24Å; T371-K373 PolarHBondContact OG1-O 3.45Å
372D82.9Confident92.2Very high112 Ų11251.3 Ų51.360%0.59925%0.254SS*.SBendtrans-87.5-15.2178.3-60.1-50.6000113R334R334-D372 IonicContact CZ-OD1 3.43Å; R334-D372 VanDerWaalsContact CZ-OD1 3.3Å; R334-D372 IonicContact NE-OD1 2.71Å; R334-D372 PolarHBondContact NE-OD1 2.61Å; R334-D372 VanDerWaalsContact NE-OD1 3.12Å; R334-D372 IonicContact NH2-OD1 3.83Å; R334-D372 PolarHBondContact NH2-OD1 3.45Å; R334-D372 IonicContact NH2-OD2 3.12Å; R334-D372 PolarHBondContact NH2-OD2 3.26Å
373K87.3Confident92.3Very high170 Ų17056.1 Ų56.174%0.73928%0.277SS*.SBendtrans-91134.1-178.3-67.9-175.2-179.3-179.50109.8T371T371-K373 PolarHBondContact OG1-O 3.45Å
374P90.6Very high92.2Very high58 Ų5856.2 Ų56.238%0.37728%0.278SS..EExtended strand (participates in β ladder)trans-64.2141.7171.628.7-33.7000109.6C366 L367C366-P374 CarbonylContact O-C 3.59Å; C366-P374 WeakPolarHBondContact O-CA 3.36Å; L367-P374 HydrophobicContact CD2-CB 4.41Å; L367-P374 HydrophobicContact CG-CB 4.18Å
375L91.9Very high92.1Very high67 Ų6756.2 Ų56.235%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-65.9-44.7172.1-66.8176.5000110.1C366 D368C366-L375 PolarHBondContact O-N 2.84Å; D368-L375 HydrophobicContact CB-CD1 4.39Å; D368-L375 HydrophobicContact CB-CD2 4.48Å; D368-L375 HydrophobicContact CB-CG 4.43Å
376F93.4Very high92Very high17 Ų1755.6 Ų55.68%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-152.1159.4169.567.8-98.2000111L356 C366 L378 I412 N415 P417L356-F376 HydrophobicContact CD2-CZ 4.24Å; C366-F376 HydrophobicContact CB-CD1 3.62Å; C366-F376 HydrophobicContact CB-CD2 4.19Å; C366-F376 HydrophobicContact CB-CE1 3.21Å; C366-F376 HydrophobicContact CB-CE2 3.83Å; C366-F376 HydrophobicContact CB-CG 4.1Å; C366-F376 HydrophobicContact CB-CZ 3.33Å; C366-F376 PolarHBondContact N-O 2.86Å; C366-F376 PolarHBondContact O-N 2.81Å; F376-L378 HydrophobicContact CD2-CB 4.26Å; F376-L378 HydrophobicContact CE2-CB 4.2Å; F376-I412 HydrophobicContact CE1-CB 4.18Å; F376-I412 HydrophobicContact CE2-CG2 4.48Å; F376-I412 HydrophobicContact CZ-CB 3.95Å; F376-I412 HydrophobicContact CZ-CG2 3.8Å; F376-N415 HydrophobicContact CD1-CB 4.41Å; F376-P417 HydrophobicContact CD2-CB 4.27Å; F376-P417 HydrophobicContact CD2-CG 3.68Å; F376-P417 HydrophobicContact CE2-CB 4.06Å; F376-P417 HydrophobicContact CE2-CG 3.99Å; F376-P417 HydrophobicContact CG-CG 4.26Å
377T94.2Very high91.9Very high68 Ų6855.6 Ų55.642%0.41728%0.278SS..EExtended strand (participates in β ladder)trans-123131.5169.6-60.20000107.7F363 Y365F363-T377 HydrophobicContact CD1-CG2 3.76Å; F363-T377 HydrophobicContact CE1-CG2 4.39Å; Y365-T377 HydrophobicContact CD1-CG2 3.84Å; Y365-T377 WeakPolarHBondContact CD1-OG1 2.75Å; Y365-T377 HydrophobicContact CE1-CG2 3.57Å
378L94.4Very high92Very high15 Ų1555.3 Ų55.38%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-120.2124.8-178.617361.4000108.7F363 V364 F376 A380 W410 P417F363-L378 CarbonylContact C-O 3.6Å; F363-L378 VanDerWaalsContact CA-O 3.3Å; F363-L378 WeakPolarHBondContact CA-O 3.5Å; V364-L378 HydrophobicContact CB-CB 4.38Å; V364-L378 PolarHBondContact N-O 2.75Å; V364-L378 PolarHBondContact O-N 3.1Å; F376-L378 HydrophobicContact CD2-CB 4.26Å; F376-L378 HydrophobicContact CE2-CB 4.2Å; L378-A380 HydrophobicContact CD2-CB 4.13Å; L378-A380 HydrophobicContact CG-CB 4.14Å; L378-A380 PolarHBondContact O-N 3.47Å; L378-W410 HydrophobicContact CD1-CE3 4.03Å; L378-W410 HydrophobicContact CD1-CH2 3.89Å; L378-W410 HydrophobicContact CD1-CZ3 3.58Å; L378-W410 HydrophobicContact CD2-CD2 3.66Å; L378-W410 HydrophobicContact CD2-CE3 3.75Å; L378-W410 HydrophobicContact CD2-CG 4.14Å; L378-W410 HydrophobicContact CD2-CH2 4.25Å; L378-W410 HydrophobicContact CD2-CZ2 4.17Å; L378-W410 HydrophobicContact CD2-CZ3 4.05Å; L378-W410 HydrophobicContact CG-CE3 4.48Å; L378-W410 HydrophobicContact CG-CH2 4.39Å; L378-W410 HydrophobicContact CG-CZ3 4.32Å; L378-P417 HydrophobicContact CB-CB 4.3Å; L378-P417 HydrophobicContact CB-CG 4.01Å; L378-P417 HydrophobicContact CD1-CB 3.92Å; L378-P417 HydrophobicContact CD1-CG 3.87Å; L378-P417 HydrophobicContact CD2-CB 3.9Å; L378-P417 HydrophobicContact CD2-CG 4.49Å; L378-P417 HydrophobicContact CG-CB 4.25Å; L378-P417 HydrophobicContact CG-CG 4.34Å
379K94.5Very high92.1Very high114 Ų11456 Ų5650%0.49628%0.281SS..EExtended strand (participates in β ladder)trans-8297162.5-171.1177.3177-164.80107.6F363 H381 D382F363-K379 HydrophobicContact CD1-CB 3.97Å; F363-K379 HydrophobicContact CD1-CG 4.41Å; F363-K379 HydrophobicContact CE1-CB 3.71Å; F363-K379 HydrophobicContact CE1-CD 4.48Å; F363-K379 HydrophobicContact CE1-CG 4.1Å; F363-K379 HydrophobicContact CZ-CB 4.31Å; F363-K379 HydrophobicContact CZ-CD 4.24Å; F363-K379 HydrophobicContact CZ-CG 4.23Å; K379-H381 WeakPolarHBondContact CE-O 3.32Å; K379-D382 WeakPolarHBondContact CE-OD1 3.45Å; K379-D382 IonicContact NZ-OD1 2.69Å; K379-D382 PolarHBondContact NZ-OD1 3.22Å
380A92.4Very high92.2Very high2 Ų255.5 Ų55.52%0.01728%0.276CS..  trans-84-43.5-173.600000111.1G362 V364 L378 V385 K408 W410G362-A380 PolarHBondContact O-N 3.43Å; V364-A380 HydrophobicContact CG2-CB 3.87Å; L378-A380 HydrophobicContact CD2-CB 4.13Å; L378-A380 HydrophobicContact CG-CB 4.14Å; L378-A380 PolarHBondContact O-N 3.47Å; A380-V385 HydrophobicContact CB-CG2 4.5Å; A380-K408 VanDerWaalsContact O-CD 3.26Å; A380-K408 WeakPolarHBondContact O-CD 3.32Å; A380-K408 PolarHBondContact O-NZ 3.28Å; A380-W410 HydrophobicContact CB-CZ2 3.79Å
381H95.1Very high92.4Very high2 Ų248.8 Ų48.81%0.00925%0.25CS..  trans-134170-175.1-68.3-93.5000111.2G362 K379 V385 T400 S402 D404 H406G362-H381 WeakPolarHBondContact CA-O 3.41Å; G362-H381 PolarHBondContact O-N 3.02Å; K379-H381 WeakPolarHBondContact CE-O 3.32Å; H381-V385 HydrophobicContact CB-CG2 3.95Å; H381-T400 PolarHBondContact NE2-OG1 3.13Å; H381-S402 WeakPolarHBondContact CB-OG 3.38Å; H381-S402 WeakPolarHBondContact ND1-CB 3.25Å; H381-D404 WeakPolarHBondContact CB-OD2 3.43Å; H381-D404 IonicContact CE1-OD1 3.05Å; H381-D404 IonicContact CE1-OD2 2.81Å; H381-D404 IonicContact CG-OD2 3.46Å; H381-D404 IonicContact ND1-OD1 3.96Å; H381-D404 PolarHBondContact ND1-OD1 3.29Å; H381-D404 IonicContact ND1-OD2 3.75Å; H381-D404 PolarHBondContact ND1-OD2 2.81Å; H381-H406 PolarHBondContact CE1-O 2.99Å; H381-H406 VanDerWaalsContact CE1-O 3.28Å
382D92.2Very high92.4Very high124 Ų12447 Ų4766%0.66324%0.24SC*.SBendtrans-93.4-15.9174.6-73-43.9000112.8K379K379-D382 WeakPolarHBondContact CE-OD1 3.45Å; K379-D382 IonicContact NZ-OD1 2.69Å; K379-D382 PolarHBondContact NZ-OD1 3.22Å
383E94Very high92.8Very high101 Ų10142.8 Ų42.847%0.47222%0.217SC..SBendtrans-122.2-176.3173-61.1-172.5177.400110.5E360 G362 S402 A403 D404E360-E383 CarbonylContact O-C 3.54Å; G362-E383 WeakPolarHBondContact CA-O 3.14Å; G362-E383 PolarHBondContact N-O 3.29Å; E383-S402 PolarHBondContact O-OG 2.96Å; E383-A403 HydrophobicContact CB-CB 4.23Å; E383-A403 WeakPolarHBondContact OE2-CB 3.47Å; E383-D404 HydrophobicContact CB-CB 4.22Å; E383-D404 HydrophobicContact CG-CB 4.29Å; E383-D404 PolarHBondContact OE2-N 2.71Å
384E93.7Very high92.9Very high63 Ų6334.7 Ų34.729%0.29418%0.182SC..  trans-55.8139.6-177.664.6-173.8-163.900113.2E343 E360 S386 S402 A403E343-E384 HydrophobicContact CG-CB 4.31Å; E360-E384 HydrophobicContact CB-CB 4.38Å; E360-E384 HydrophobicContact CG-CB 4.21Å; E360-E384 WeakPolarHBondContact O-CA 3.16Å; E360-E384 PolarHBondContact O-N 3.18Å; E360-E384 VanDerWaalsContact O-N 3.1Å; E384-S386 PolarHBondContact O-N 2.94Å; E384-S402 WeakPolarHBondContact O-CA 3.34Å; E384-S402 WeakPolarHBondContact O-CB 3.47Å; E384-S402 PolarHBondContact O-OG 3.42Å; E384-A403 HydrophobicContact CG-CB 3.61Å; E384-A403 PolarHBondContact O-N 2.7Å; E384-A403 VanDerWaalsContact O-N 3.13Å
385V95.6Very high92.8Very high0 Ų035.4 Ų35.40%018%0.179CC..  trans-9988.6178.4177.80000108.6E343 S358 T359 V364 A380 H381 G387 T400 S401E343-V385 WeakPolarHBondContact CB-O 3.37Å; S358-V385 PolarHBondContact OG-O 3.27Å; T359-V385 PolarHBondContact O-N 3.3Å; V364-V385 HydrophobicContact CG2-CG1 4.26Å; A380-V385 HydrophobicContact CB-CG2 4.5Å; H381-V385 HydrophobicContact CB-CG2 3.95Å; V385-G387 WeakPolarHBondContact CG1-O 3.32Å; V385-T400 HydrophobicContact CG1-CG2 4.34Å; V385-S401 CarbonylContact C-O 3.54Å; V385-S401 WeakPolarHBondContact CA-O 3.4Å
386S93.2Very high92.7Very high17 Ų1732.6 Ų32.612%0.11917%0.166CC..  trans-71.5-35-176.355.60000113.5E384 S401 L430 F431E384-S386 PolarHBondContact O-N 2.94Å; S386-S401 PolarHBondContact N-O 3.36Å; S386-S401 VanDerWaalsContact N-O 3.13Å; S386-S401 PolarHBondContact OG-O 3.18Å; S386-L430 WeakPolarHBondContact CB-O 3.13Å; S386-L430 PolarHBondContact OG-O 2.99Å; S386-F431 WeakPolarHBondContact CB-O 3.09Å
387G91.3Very high92.7Very high1 Ų131.8 Ų31.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-115.9130.417600000111.5V385 T400 S401V385-G387 WeakPolarHBondContact CG1-O 3.32Å; G387-T400 CarbonylContact O-C 3.43Å; G387-T400 WeakPolarHBondContact O-CA 3.25Å; G387-S401 WeakPolarHBondContact CA-OG 3.1Å; G387-S401 PolarHBondContact N-O 3.18Å; G387-S401 VanDerWaalsContact N-O 3.09Å; G387-S401 PolarHBondContact N-OG 3.23Å; G387-S401 PolarHBondContact O-N 2.63Å
388L95.6Very high92.7Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-138.9119.6177-179.372000106.6R344 V346 L356 V364 L398 T400R344-L388 HydrophobicContact CB-CB 3.88Å; R344-L388 HydrophobicContact CG-CB 3.94Å; V346-L388 HydrophobicContact CB-CD2 4.36Å; V346-L388 HydrophobicContact CG2-CB 4.38Å; V346-L388 HydrophobicContact CG2-CD2 4.16Å; V346-L388 HydrophobicContact CG2-CG 4.13Å; V346-L388 WeakPolarHBondContact CG2-O 3.23Å; L356-L388 HydrophobicContact CB-CD2 3.86Å; V364-L388 HydrophobicContact CG1-CD1 3.99Å; V364-L388 HydrophobicContact CG2-CD1 4.23Å; L388-L398 HydrophobicContact CD1-CD1 3.59Å; L388-L398 HydrophobicContact CD1-CD2 4.4Å; L388-L398 HydrophobicContact CD1-CG 4.41Å; L388-L398 HydrophobicContact CG-CD1 4.35Å; L388-T400 HydrophobicContact CD1-CG2 3.88Å
389D94.8Very high92.8Very high32 Ų3227.9 Ų27.917%0.17114%0.139CC..EExtended strand (participates in β ladder)trans-151.2152.2174.6-154.35.3000113.1L398 V399 C435 Y443D389-L398 VanDerWaalsContact O-CD1 3.31Å; D389-L398 WeakPolarHBondContact O-CD1 3.33Å; D389-V399 PolarHBondContact N-O 2.92Å; D389-V399 PolarHBondContact O-N 3.01Å; D389-C435 WeakPolarHBondContact OD2-CB 3.12Å; D389-C435 PolarHBondContact OD2-N 3.47Å; D389-Y443 HydrophobicContact CB-CE1 4.47Å
390L93.6Very high92.9Very high3 Ų322.4 Ų22.42%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-100.5149.8175.7-70.7168.9000110.1V346 N348 L356 S392 L398 I412V346-L390 HydrophobicContact CG1-CD1 4.13Å; V346-L390 HydrophobicContact CG1-CG 4.3Å; N348-L390 HydrophobicContact CB-CD1 4.06Å; L356-L390 HydrophobicContact CD1-CD1 3.69Å; L356-L390 HydrophobicContact CD1-CD2 3.99Å; L356-L390 HydrophobicContact CD1-CG 4Å; L390-S392 PolarHBondContact O-N 3.09Å; L390-L398 HydrophobicContact CD2-CB 4.07Å; L390-L398 HydrophobicContact CD2-CD1 3.92Å; L390-L398 HydrophobicContact CG-CD1 4.39Å; L390-I412 HydrophobicContact CD2-CD1 3.82Å
391S92.8Very high93.1Very high0 Ų022.3 Ų22.30%012%0.115CC..  trans-60.1134.6171.5176.70000110.7H349 F350 Q393 I394 C397 P440 Y443H349-S391 PolarHBondContact CE1-O 2.72Å; H349-S391 PolarHBondContact NE2-O 3.41Å; F350-S391 VanDerWaalsContact CE2-O 3.3Å; F350-S391 WeakPolarHBondContact CE2-O 3.18Å; F350-S391 WeakPolarHBondContact CZ-O 3.41Å; S391-Q393 PolarHBondContact O-N 3.46Å; S391-I394 PolarHBondContact OG-N 3.21Å; S391-C397 PolarHBondContact N-O 2.85Å; S391-P440 WeakPolarHBondContact OG-CB 3.48Å; S391-P440 PolarHBondContact OG-O 2.72Å; S391-Y443 WeakPolarHBondContact CA-OH 3.44Å; S391-Y443 WeakPolarHBondContact CB-OH 3.23Å; S391-Y443 PolarHBondContact N-OH 3.39Å
392S87.7Confident93.1Very high20 Ų2022.2 Ų22.214%0.1411%0.114CC..SBendtrans-57.7-33.5-179.4530000113.2H349 L390 C435 C436H349-S392 PolarHBondContact NE2-O 3.13Å; L390-S392 PolarHBondContact O-N 3.09Å; S392-C435 PolarHBondContact N-SG 3.25Å; S392-C436 WeakPolarHBondContact CB-O 3.3Å; S392-C436 PolarHBondContact OG-O 3.44Å
393Q90.1Very high93.1Very high24 Ų2416.7 Ų16.711%0.1129%0.086CC..SBendtrans-124.8-18.4-174.6-48.7171.27.900114.5F350 S391 D438 P440 R472 M473F350-Q393 VanDerWaalsContact CZ-C 3.47Å; S391-Q393 PolarHBondContact O-N 3.46Å; Q393-D438 PolarHBondContact NE2-O 2.87Å; Q393-P440 HydrophobicContact CB-CB 3.85Å; Q393-P440 HydrophobicContact CB-CG 4.32Å; Q393-P440 HydrophobicContact CG-CB 4.15Å; Q393-P440 HydrophobicContact CG-CG 4.5Å; Q393-R472 HydrophobicContact CB-CB 4.42Å; Q393-M473 PolarHBondContact O-N 2.92Å
394I90Very high93Very high1 Ų113 Ų131%0.0057%0.069CC..BIsolated β-bridgetrans-102.4118-174-60.6169.5000111.4F350 S391 G396 C397 P440 F441 F467 R470F350-I394 VanDerWaalsContact CE2-O 3.31Å; F350-I394 WeakPolarHBondContact CE2-O 3.37Å; F350-I394 WeakPolarHBondContact CZ-O 3.44Å; S391-I394 PolarHBondContact OG-N 3.21Å; I394-G396 PolarHBondContact O-N 3.21Å; I394-C397 HydrophobicContact CB-CB 4.31Å; I394-C397 HydrophobicContact CG2-CB 4.11Å; I394-C397 PolarHBondContact O-N 2.82Å; I394-P440 HydrophobicContact CD1-CB 3.85Å; I394-P440 HydrophobicContact CD1-CG 4.15Å; I394-P440 HydrophobicContact CG1-CB 3.91Å; I394-P440 HydrophobicContact CG1-CG 4.41Å; I394-F441 HydrophobicContact CD1-CD1 3.86Å; I394-F441 HydrophobicContact CD1-CD2 4.43Å; I394-F441 HydrophobicContact CD1-CE1 3.15Å; I394-F441 HydrophobicContact CD1-CE2 3.8Å; I394-F441 HydrophobicContact CD1-CG 4.47Å; I394-F441 HydrophobicContact CD1-CZ 3.12Å; I394-F467 HydrophobicContact CD1-CB 4.47Å; I394-F467 HydrophobicContact CG2-CB 4.22Å; I394-F467 HydrophobicContact CG2-CD1 3.88Å; I394-F467 HydrophobicContact CG2-CG 4.45Å; I394-R470 HydrophobicContact CG2-CB 4.12Å
395K88.9Confident93Very high73 Ų7315 Ų1532%0.3178%0.077SC..THydrogen-bonded Turntrans-61.4129.2176.8-70.8-178.1179.5164.90111.5F350 C397 L413 R470 M473F350-K395 HydrophobicContact CB-CD 4.39Å; F350-K395 HydrophobicContact CB-CG 3.9Å; F350-K395 HydrophobicContact CD1-CD 4.33Å; F350-K395 HydrophobicContact CD1-CG 3.43Å; F350-K395 VanDerWaalsContact CD1-CG 3.43Å; F350-K395 HydrophobicContact CD2-CG 4.09Å; F350-K395 HydrophobicContact CE1-CG 3.89Å; F350-K395 HydrophobicContact CE2-CG 4.47Å; F350-K395 HydrophobicContact CG-CB 4.4Å; F350-K395 HydrophobicContact CG-CD 4.47Å; F350-K395 HydrophobicContact CG-CG 3.54Å; F350-K395 HydrophobicContact CZ-CG 4.38Å; K395-C397 VanDerWaalsContact C-N 3.29Å; K395-C397 PolarHBondContact O-N 3.17Å; K395-L413 HydrophobicContact CB-CD1 3.66Å; K395-R470 PolarHBondContact O-NH1 2.91Å; K395-M473 HydrophobicContact CD-CG 4.48Å; K395-M473 HydrophobicContact CG-CG 4.42Å; K395-M473 PolarHBondContact NZ-SD 3.42Å
396G88.8Confident93Very high8 Ų818 Ų188%0.0829%0.091CC..THydrogen-bonded Turntrans80.11.3171.700000115.2I394 L398 W410 D411 I412I394-G396 PolarHBondContact O-N 3.21Å; G396-L398 PolarHBondContact O-N 2.93Å; G396-W410 VanDerWaalsContact O-O 3.09Å; G396-D411 CarbonylContact O-C 3.53Å; G396-D411 VanDerWaalsContact O-CA 3.31Å; G396-D411 WeakPolarHBondContact O-CA 3.36Å; G396-I412 WeakPolarHBondContact O-CG1 3.22Å; G396-I412 PolarHBondContact O-N 2.69Å
397C93.4Very high93.1Very high0 Ų017.1 Ų17.10%09%0.085CC..EExtended strand (participates in β ladder)trans-82110.8170.3-176.80000109.2S391 I394 K395 F467S391-C397 PolarHBondContact N-O 2.85Å; I394-C397 HydrophobicContact CB-CB 4.31Å; I394-C397 HydrophobicContact CG2-CB 4.11Å; I394-C397 PolarHBondContact O-N 2.82Å; K395-C397 VanDerWaalsContact C-N 3.29Å; K395-C397 PolarHBondContact O-N 3.17Å; C397-F467 HydrophobicContact CB-CD1 3.8Å; C397-F467 HydrophobicContact CB-CE1 3.6Å; C397-F467 HydrophobicContact CB-CG 4.39Å; C397-F467 HydrophobicContact CB-CZ 4.02Å
398L95.2Very high93.4Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-114.2132.1177.3172.467.6000109L356 V364 L388 D389 L390 G396 T400 W410 I412L356-L398 HydrophobicContact CD2-CD2 4.06Å; V364-L398 HydrophobicContact CG1-CD2 4.38Å; L388-L398 HydrophobicContact CD1-CD1 3.59Å; L388-L398 HydrophobicContact CD1-CD2 4.4Å; L388-L398 HydrophobicContact CD1-CG 4.41Å; L388-L398 HydrophobicContact CG-CD1 4.35Å; D389-L398 VanDerWaalsContact O-CD1 3.31Å; D389-L398 WeakPolarHBondContact O-CD1 3.33Å; L390-L398 HydrophobicContact CD2-CB 4.07Å; L390-L398 HydrophobicContact CD2-CD1 3.92Å; L390-L398 HydrophobicContact CG-CD1 4.39Å; G396-L398 PolarHBondContact O-N 2.93Å; L398-T400 HydrophobicContact CD2-CG2 4.28Å; L398-T400 HydrophobicContact CG-CG2 4.19Å; L398-W410 HydrophobicContact CB-CB 4.22Å; L398-W410 HydrophobicContact CD2-CB 4.48Å; L398-W410 PolarHBondContact N-O 2.77Å; L398-W410 PolarHBondContact O-N 2.94Å; L398-I412 HydrophobicContact CB-CD1 4.26Å; L398-I412 HydrophobicContact CB-CG1 4.5Å; L398-I412 HydrophobicContact CB-CG2 4.12Å; L398-I412 HydrophobicContact CD2-CG2 3.95Å
399V96.4Very high93.4Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-114.3130.5174.9179.20000108.7D389 V407 K408 I409 Y443 F445 I457D389-V399 PolarHBondContact N-O 2.92Å; D389-V399 PolarHBondContact O-N 3.01Å; V399-V407 HydrophobicContact CG1-CG1 3.7Å; V399-K408 WeakPolarHBondContact CA-O 3.47Å; V399-I409 HydrophobicContact CG2-CG1 4.38Å; V399-Y443 HydrophobicContact CB-CD1 4.14Å; V399-Y443 HydrophobicContact CB-CE1 3.72Å; V399-Y443 HydrophobicContact CG1-CD1 4.24Å; V399-Y443 HydrophobicContact CG1-CE1 4.33Å; V399-Y443 HydrophobicContact CG2-CD1 4.15Å; V399-Y443 HydrophobicContact CG2-CD2 4.29Å; V399-Y443 HydrophobicContact CG2-CE1 3.58Å; V399-Y443 HydrophobicContact CG2-CE2 3.76Å; V399-Y443 HydrophobicContact CG2-CG 4.48Å; V399-F445 HydrophobicContact CG1-CE1 4.02Å; V399-F445 HydrophobicContact CG1-CZ 3.93Å; V399-I457 HydrophobicContact CG2-CD1 4.35Å
400T96.6Very high93.5Very high0 Ų017.7 Ų17.70%09%0.085CC..EExtended strand (participates in β ladder)trans-121.7137.5176.6610000109.8V364 H381 V385 G387 L388 L398 V407 K408 W410V364-T400 HydrophobicContact CG2-CG2 4.19Å; H381-T400 PolarHBondContact NE2-OG1 3.13Å; V385-T400 HydrophobicContact CG1-CG2 4.34Å; G387-T400 CarbonylContact O-C 3.43Å; G387-T400 WeakPolarHBondContact O-CA 3.25Å; L388-T400 HydrophobicContact CD1-CG2 3.88Å; L398-T400 HydrophobicContact CD2-CG2 4.28Å; L398-T400 HydrophobicContact CG-CG2 4.19Å; T400-V407 CarbonylContact O-C 3.57Å; T400-V407 VanDerWaalsContact O-CA 3.3Å; T400-V407 WeakPolarHBondContact O-CA 3.43Å; T400-K408 PolarHBondContact N-O 3.09Å; T400-K408 PolarHBondContact O-N 2.75Å; T400-K408 PolarHBondContact OG1-O 3.13Å; T400-W410 PolarHBondContact OG1-NE1 2.93Å
401S95.3Very high93.5Very high0 Ų018.6 Ų18.60%09%0.09CC..EExtended strand (participates in β ladder)trans-122149.1168.464.80000109.8V385 S386 G387V385-S401 CarbonylContact C-O 3.54Å; V385-S401 WeakPolarHBondContact CA-O 3.4Å; S386-S401 PolarHBondContact N-O 3.36Å; S386-S401 VanDerWaalsContact N-O 3.13Å; S386-S401 PolarHBondContact OG-O 3.18Å; G387-S401 WeakPolarHBondContact CA-OG 3.1Å; G387-S401 PolarHBondContact N-O 3.18Å; G387-S401 VanDerWaalsContact N-O 3.09Å; G387-S401 PolarHBondContact N-OG 3.23Å; G387-S401 PolarHBondContact O-N 2.63Å
402S95.1Very high93.5Very high0 Ų019.1 Ų19.10%09%0.093CC..  trans-141.7162.4-173.6172.60000112H381 E383 E384 D404 K405 H406H381-S402 WeakPolarHBondContact CB-OG 3.38Å; H381-S402 WeakPolarHBondContact ND1-CB 3.25Å; E383-S402 PolarHBondContact O-OG 2.96Å; E384-S402 WeakPolarHBondContact O-CA 3.34Å; E384-S402 WeakPolarHBondContact O-CB 3.47Å; E384-S402 PolarHBondContact O-OG 3.42Å; S402-D404 VanDerWaalsContact CB-OD1 3.32Å; S402-D404 WeakPolarHBondContact CB-OD1 3.49Å; S402-D404 PolarHBondContact O-N 3Å; S402-D404 PolarHBondContact OG-N 3.02Å; S402-K405 PolarHBondContact O-N 3.31Å; S402-H406 PolarHBondContact N-O 2.97Å
403A92.8Very high93.4Very high7 Ų723 Ų236%0.05811%0.111CC..THydrogen-bonded Turntrans-60.5-18.7168.300000113.5E383 E384 K405 V429E383-A403 HydrophobicContact CB-CB 4.23Å; E383-A403 WeakPolarHBondContact OE2-CB 3.47Å; E384-A403 HydrophobicContact CG-CB 3.61Å; E384-A403 PolarHBondContact O-N 2.7Å; E384-A403 VanDerWaalsContact O-N 3.13Å; A403-K405 PolarHBondContact O-N 3.46Å; A403-V429 HydrophobicContact CB-CG1 3.89Å; A403-V429 HydrophobicContact CB-CG2 4.45Å
404D93.3Very high92.9Very high24 Ų2425.5 Ų25.513%0.12813%0.131CC..THydrogen-bonded Turntrans-67.53.2172.881-1.7000114.3H381 E383 S402 H406H381-D404 WeakPolarHBondContact CB-OD2 3.43Å; H381-D404 IonicContact CE1-OD1 3.05Å; H381-D404 IonicContact CE1-OD2 2.81Å; H381-D404 IonicContact CG-OD2 3.46Å; H381-D404 IonicContact ND1-OD1 3.96Å; H381-D404 PolarHBondContact ND1-OD1 3.29Å; H381-D404 IonicContact ND1-OD2 3.75Å; H381-D404 PolarHBondContact ND1-OD2 2.81Å; E383-D404 HydrophobicContact CB-CB 4.22Å; E383-D404 HydrophobicContact CG-CB 4.29Å; E383-D404 PolarHBondContact OE2-N 2.71Å; S402-D404 VanDerWaalsContact CB-OD1 3.32Å; S402-D404 WeakPolarHBondContact CB-OD1 3.49Å; S402-D404 PolarHBondContact O-N 3Å; S402-D404 PolarHBondContact OG-N 3.02Å; D404-H406 PolarHBondContact O-CD2 3.06Å; D404-H406 VanDerWaalsContact O-CD2 3.31Å; D404-H406 PolarHBondContact O-N 3.05Å; D404-H406 VanDerWaalsContact OD1-CB 3.32Å; D404-H406 WeakPolarHBondContact OD1-CB 3.48Å; D404-H406 IonicContact OD1-CD2 2.92Å; D404-H406 PolarHBondContact OD1-N 2.99Å
405K93.1Very high92.5Very high105 Ų10529.2 Ų29.246%0.45715%0.151SC..SBendtrans74.7-1.6176.8-43.9168.9-174.4159.90114.1S402 A403 M425 G428S402-K405 PolarHBondContact O-N 3.31Å; A403-K405 PolarHBondContact O-N 3.46Å; K405-M425 PolarHBondContact O-N 2.85Å; K405-G428 WeakPolarHBondContact CG-O 3.45Å
406H94.8Very high92.3Very high62 Ų6233.2 Ų33.229%0.28717%0.169SC..EExtended strand (participates in β ladder)trans-96.2144.7179.8-69.3-77.2000112.1H381 S402 D404 R423 D424H381-H406 PolarHBondContact CE1-O 2.99Å; H381-H406 VanDerWaalsContact CE1-O 3.28Å; S402-H406 PolarHBondContact N-O 2.97Å; D404-H406 PolarHBondContact O-CD2 3.06Å; D404-H406 VanDerWaalsContact O-CD2 3.31Å; D404-H406 PolarHBondContact O-N 3.05Å; D404-H406 VanDerWaalsContact OD1-CB 3.32Å; D404-H406 WeakPolarHBondContact OD1-CB 3.48Å; D404-H406 IonicContact OD1-CD2 2.92Å; D404-H406 PolarHBondContact OD1-N 2.99Å; H406-R423 CarbonylContact C-O 3.58Å; H406-R423 VanDerWaalsContact CA-O 3.32Å; H406-R423 WeakPolarHBondContact CA-O 3.49Å; H406-D424 PolarHBondContact ND1-N 2.98Å
407V96.2Very high92.4Very high0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-105.1131.2160.7178.50000107.9V399 T400 S422 R423 M425 L430 F445 W455V399-V407 HydrophobicContact CG1-CG1 3.7Å; T400-V407 CarbonylContact O-C 3.57Å; T400-V407 VanDerWaalsContact O-CA 3.3Å; T400-V407 WeakPolarHBondContact O-CA 3.43Å; V407-S422 WeakPolarHBondContact O-CA 3.3Å; V407-R423 PolarHBondContact N-O 2.78Å; V407-R423 PolarHBondContact O-N 2.81Å; V407-M425 HydrophobicContact CB-CG 4.32Å; V407-M425 HydrophobicContact CG2-CG 3.57Å; V407-M425 HydrophobicContact CG2-SD 4.42Å; V407-L430 HydrophobicContact CG2-CD1 3.45Å; V407-L430 VanDerWaalsContact CG2-CD1 3.45Å; V407-F445 HydrophobicContact CB-CE1 4.37Å; V407-F445 HydrophobicContact CG1-CE1 3.69Å; V407-F445 HydrophobicContact CG1-CZ 3.72Å; V407-F445 HydrophobicContact CG2-CD1 3.87Å; V407-F445 HydrophobicContact CG2-CE1 3.68Å; V407-F445 HydrophobicContact CG2-CZ 4.19Å; V407-W455 HydrophobicContact CB-CZ3 4.1Å; V407-W455 HydrophobicContact CG1-CE3 4.44Å; V407-W455 HydrophobicContact CG1-CZ3 3.83Å
408K96.4Very high92.4Very high30 Ų3037.2 Ų37.213%0.1319%0.194CC..EExtended strand (participates in β ladder)trans-121.8141.3177.9-68.3177.8-170.1170.10110.8A380 V399 T400 W410 L419 H421 S422A380-K408 VanDerWaalsContact O-CD 3.26Å; A380-K408 WeakPolarHBondContact O-CD 3.32Å; A380-K408 PolarHBondContact O-NZ 3.28Å; V399-K408 WeakPolarHBondContact CA-O 3.47Å; T400-K408 PolarHBondContact N-O 3.09Å; T400-K408 PolarHBondContact O-N 2.75Å; T400-K408 PolarHBondContact OG1-O 3.13Å; K408-W410 HydrophobicContact CB-CZ2 3.86Å; K408-W410 HydrophobicContact CD-CH2 4.34Å; K408-W410 HydrophobicContact CD-CZ2 3.6Å; K408-W410 HydrophobicContact CG-CZ2 4.34Å; K408-L419 HydrophobicContact CB-CD1 3.88Å; K408-L419 HydrophobicContact CD-CD1 4.18Å; K408-L419 HydrophobicContact CG-CD1 4.08Å; K408-H421 WeakPolarHBondContact CA-O 3.3Å; K408-S422 WeakPolarHBondContact CG-OG 3.11Å
409I96.7Very high92.4Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-114.4128.7-179.7-53.8173.2000107.8V399 V420 H421 W455 I457 V463 F467V399-I409 HydrophobicContact CG2-CG1 4.38Å; I409-V420 HydrophobicContact CG2-CB 4.49Å; I409-V420 PolarHBondContact O-N 3.04Å; I409-H421 HydrophobicContact CB-CB 4.43Å; I409-H421 HydrophobicContact CD1-CB 4.27Å; I409-H421 PolarHBondContact N-O 2.83Å; I409-H421 PolarHBondContact O-N 3.03Å; I409-W455 HydrophobicContact CD1-CH2 3.97Å; I409-W455 HydrophobicContact CD1-CZ2 4.49Å; I409-W455 HydrophobicContact CD1-CZ3 4.44Å; I409-I457 HydrophobicContact CD1-CB 3.66Å; I409-I457 HydrophobicContact CD1-CD1 4.17Å; I409-I457 HydrophobicContact CD1-CG1 4.49Å; I409-I457 HydrophobicContact CD1-CG2 3.63Å; I409-I457 HydrophobicContact CG2-CD1 4.35Å; I409-V463 HydrophobicContact CD1-CG2 3.64Å; I409-V463 HydrophobicContact CG2-CG2 4.33Å; I409-F467 HydrophobicContact CG2-CE2 3.95Å; I409-F467 HydrophobicContact CG2-CZ 4.48Å
410W95.8Very high92.3Very high15 Ų1542.7 Ų42.76%0.05722%0.224CC..EExtended strand (participates in β ladder)trans-125.9144.4-172.2-52.389.4000111.3L378 A380 G396 L398 T400 K408 I412 S418 L419L378-W410 HydrophobicContact CD1-CE3 4.03Å; L378-W410 HydrophobicContact CD1-CH2 3.89Å; L378-W410 HydrophobicContact CD1-CZ3 3.58Å; L378-W410 HydrophobicContact CD2-CD2 3.66Å; L378-W410 HydrophobicContact CD2-CE3 3.75Å; L378-W410 HydrophobicContact CD2-CG 4.14Å; L378-W410 HydrophobicContact CD2-CH2 4.25Å; L378-W410 HydrophobicContact CD2-CZ2 4.17Å; L378-W410 HydrophobicContact CD2-CZ3 4.05Å; L378-W410 HydrophobicContact CG-CE3 4.48Å; L378-W410 HydrophobicContact CG-CH2 4.39Å; L378-W410 HydrophobicContact CG-CZ3 4.32Å; A380-W410 HydrophobicContact CB-CZ2 3.79Å; G396-W410 VanDerWaalsContact O-O 3.09Å; L398-W410 HydrophobicContact CB-CB 4.22Å; L398-W410 HydrophobicContact CD2-CB 4.48Å; L398-W410 PolarHBondContact N-O 2.77Å; L398-W410 PolarHBondContact O-N 2.94Å; T400-W410 PolarHBondContact OG1-NE1 2.93Å; K408-W410 HydrophobicContact CB-CZ2 3.86Å; K408-W410 HydrophobicContact CD-CH2 4.34Å; K408-W410 HydrophobicContact CD-CZ2 3.6Å; K408-W410 HydrophobicContact CG-CZ2 4.34Å; W410-I412 HydrophobicContact CB-CG2 4.31Å; W410-S418 CarbonylContact C-O 3.59Å; W410-S418 VanDerWaalsContact CA-O 3.29Å; W410-S418 WeakPolarHBondContact CA-O 3.49Å; W410-L419 HydrophobicContact CD2-CD1 4.06Å; W410-L419 HydrophobicContact CE3-CB 3.85Å; W410-L419 HydrophobicContact CE3-CD1 4.01Å; W410-L419 HydrophobicContact CH2-CB 4.14Å; W410-L419 HydrophobicContact CH2-CD1 3.81Å; W410-L419 HydrophobicContact CH2-CG 4.41Å; W410-L419 HydrophobicContact CZ2-CD1 3.86Å; W410-L419 HydrophobicContact CZ3-CB 3.52Å; W410-L419 HydrophobicContact CZ3-CD1 3.89Å; W410-L419 HydrophobicContact CZ3-CG 4.24Å
411D94.3Very high92.2Very high22 Ų2245.3 Ų45.312%0.11824%0.236CC..EExtended strand (participates in β ladder)trans-99.8118.8163.4177.224.6000110.5G396 L413 P417 S418 V420 V466 F467 R470G396-D411 CarbonylContact O-C 3.53Å; G396-D411 VanDerWaalsContact O-CA 3.31Å; G396-D411 WeakPolarHBondContact O-CA 3.36Å; D411-L413 WeakPolarHBondContact OD1-CB 3.5Å; D411-L413 PolarHBondContact OD1-N 2.76Å; D411-L413 VanDerWaalsContact OD1-N 3.1Å; D411-P417 CarbonylContact O-C 3.54Å; D411-P417 WeakPolarHBondContact O-CA 3.46Å; D411-S418 PolarHBondContact N-O 2.84Å; D411-S418 PolarHBondContact O-N 2.88Å; D411-V420 HydrophobicContact CB-CG2 4.11Å; D411-V466 HydrophobicContact CB-CG1 4.33Å; D411-F467 HydrophobicContact CB-CE1 4.11Å; D411-F467 HydrophobicContact CB-CZ 3.89Å; D411-R470 IonicContact OD1-CZ 3.71Å; D411-R470 IonicContact OD1-NH1 2.76Å; D411-R470 PolarHBondContact OD1-NH1 2.98Å; D411-R470 IonicContact OD1-NH2 3.05Å; D411-R470 PolarHBondContact OD1-NH2 3.31Å; D411-R470 IonicContact OD2-CZ 3.48Å; D411-R470 IonicContact OD2-NH1 3.7Å; D411-R470 IonicContact OD2-NH2 2.93Å; D411-R470 PolarHBondContact OD2-NH2 3.28Å
412I92.1Very high92.2Very high10 Ų1047.7 Ų47.75%0.05125%0.253CS..  trans-113.14.8-177.667.4168.5000113.9L356 F376 L390 G396 L398 W410 S414 N415 P417L356-I412 HydrophobicContact CD1-CD1 4.4Å; L356-I412 HydrophobicContact CD2-CD1 4.18Å; F376-I412 HydrophobicContact CE1-CB 4.18Å; F376-I412 HydrophobicContact CE2-CG2 4.48Å; F376-I412 HydrophobicContact CZ-CB 3.95Å; F376-I412 HydrophobicContact CZ-CG2 3.8Å; L390-I412 HydrophobicContact CD2-CD1 3.82Å; G396-I412 WeakPolarHBondContact O-CG1 3.22Å; G396-I412 PolarHBondContact O-N 2.69Å; L398-I412 HydrophobicContact CB-CD1 4.26Å; L398-I412 HydrophobicContact CB-CG1 4.5Å; L398-I412 HydrophobicContact CB-CG2 4.12Å; L398-I412 HydrophobicContact CD2-CG2 3.95Å; W410-I412 HydrophobicContact CB-CG2 4.31Å; I412-S414 VanDerWaalsContact C-N 3.26Å; I412-S414 PolarHBondContact O-N 3.02Å; I412-S414 VanDerWaalsContact O-N 3.16Å; I412-N415 PolarHBondContact O-N 2.8Å; I412-P417 HydrophobicContact CG2-CB 4.27Å
413L86.6Confident92.2Very high102 Ų10252.6 Ų52.653%0.53427%0.271SS..THydrogen-bonded Turntrans-58.1-35.1-170.7-168.283.7000113.7K395 D411 N415K395-L413 HydrophobicContact CB-CD1 3.66Å; D411-L413 WeakPolarHBondContact OD1-CB 3.5Å; D411-L413 PolarHBondContact OD1-N 2.76Å; D411-L413 VanDerWaalsContact OD1-N 3.1Å; L413-N415 VanDerWaalsContact C-N 3.35Å; L413-N415 PolarHBondContact O-N 3.34Å
414S79.9Confident92.3Very high76 Ų7655.6 Ų55.653%0.53129%0.286SS..THydrogen-bonded Turntrans-93.414-174.262.90000114.1I412 K416I412-S414 VanDerWaalsContact C-N 3.26Å; I412-S414 PolarHBondContact O-N 3.02Å; I412-S414 VanDerWaalsContact O-N 3.16Å; S414-K416 PolarHBondContact O-N 2.88Å
415N80.1Confident92.1Very high80 Ų8054.6 Ų54.643%0.42828%0.281SS..SBendtrans53.517.8-166.3-61.4-42.3000113.3F376 I412 L413F376-N415 HydrophobicContact CD1-CB 4.41Å; I412-N415 PolarHBondContact O-N 2.8Å; L413-N415 VanDerWaalsContact C-N 3.35Å; L413-N415 PolarHBondContact O-N 3.34Å
416K85.9Confident92Very high157 Ų15757.3 Ų57.368%0.68329%0.293SS*.SBendtrans-121.697.8171.9-66.7-178.7-1781790106.4S414 S418S414-K416 PolarHBondContact O-N 2.88Å; K416-S418 PolarHBondContact O-N 2.79Å
417P91.3Very high91.7Very high37 Ų3754.4 Ų54.424%0.2428%0.279CS..  trans-63.5129.3-179.527-34.5000109.4F376 L378 D411 I412F376-P417 HydrophobicContact CD2-CB 4.27Å; F376-P417 HydrophobicContact CD2-CG 3.68Å; F376-P417 HydrophobicContact CE2-CB 4.06Å; F376-P417 HydrophobicContact CE2-CG 3.99Å; F376-P417 HydrophobicContact CG-CG 4.26Å; L378-P417 HydrophobicContact CB-CB 4.3Å; L378-P417 HydrophobicContact CB-CG 4.01Å; L378-P417 HydrophobicContact CD1-CB 3.92Å; L378-P417 HydrophobicContact CD1-CG 3.87Å; L378-P417 HydrophobicContact CD2-CB 3.9Å; L378-P417 HydrophobicContact CD2-CG 4.49Å; L378-P417 HydrophobicContact CG-CB 4.25Å; L378-P417 HydrophobicContact CG-CG 4.34Å; D411-P417 CarbonylContact O-C 3.54Å; D411-P417 WeakPolarHBondContact O-CA 3.46Å; I412-P417 HydrophobicContact CG2-CB 4.27Å
418S92.9Very high91.4Very high54 Ų5455 Ų5538%0.37829%0.285SS..EExtended strand (participates in β ladder)trans-124.3135174.261.40000110.3W410 D411 K416 V420W410-S418 CarbonylContact C-O 3.59Å; W410-S418 VanDerWaalsContact CA-O 3.29Å; W410-S418 WeakPolarHBondContact CA-O 3.49Å; D411-S418 PolarHBondContact N-O 2.84Å; D411-S418 PolarHBondContact O-N 2.88Å; K416-S418 PolarHBondContact O-N 2.79Å; S418-V420 PolarHBondContact O-N 2.69Å
419L95.1Very high91.3Very high90 Ų9055.2 Ų55.247%0.47129%0.289SS..EExtended strand (participates in β ladder)trans-75.7120.8177.3-177.763.8000108.8K408 W410 H421K408-L419 HydrophobicContact CB-CD1 3.88Å; K408-L419 HydrophobicContact CD-CD1 4.18Å; K408-L419 HydrophobicContact CG-CD1 4.08Å; W410-L419 HydrophobicContact CD2-CD1 4.06Å; W410-L419 HydrophobicContact CE3-CB 3.85Å; W410-L419 HydrophobicContact CE3-CD1 4.01Å; W410-L419 HydrophobicContact CH2-CB 4.14Å; W410-L419 HydrophobicContact CH2-CD1 3.81Å; W410-L419 HydrophobicContact CH2-CG 4.41Å; W410-L419 HydrophobicContact CZ2-CD1 3.86Å; W410-L419 HydrophobicContact CZ3-CB 3.52Å; W410-L419 HydrophobicContact CZ3-CD1 3.89Å; W410-L419 HydrophobicContact CZ3-CG 4.24Å; L419-H421 WeakPolarHBondContact CD1-O 3.26Å
420V94Very high91.1Very high26 Ų2655.2 Ų55.216%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-93.8-45.3176.9-179.30000110.1I409 D411 S418 A462 V463 V466 F467I409-V420 HydrophobicContact CG2-CB 4.49Å; I409-V420 PolarHBondContact O-N 3.04Å; D411-V420 HydrophobicContact CB-CG2 4.11Å; S418-V420 PolarHBondContact O-N 2.69Å; V420-A462 HydrophobicContact CG1-CB 4.2Å; V420-A462 WeakPolarHBondContact CG1-O 3.27Å; V420-V463 HydrophobicContact CG1-CG2 4.03Å; V420-V466 HydrophobicContact CG1-CB 4.43Å; V420-V466 HydrophobicContact CG1-CG2 4.16Å; V420-V466 HydrophobicContact CG2-CG1 4.28Å; V420-V466 HydrophobicContact CG2-CG2 4.45Å; V420-F467 HydrophobicContact CB-CE2 4.26Å; V420-F467 HydrophobicContact CG1-CE2 4.14Å; V420-F467 HydrophobicContact CG2-CE2 3.84Å; V420-F467 HydrophobicContact CG2-CZ 4Å
421H95.2Very high91Very high54 Ų5457.7 Ų57.725%0.2530%0.3CS..EExtended strand (participates in β ladder)trans-153.5152.6-178.9-170.275.6000112.1K408 I409 L419 W455 V460 V463K408-H421 WeakPolarHBondContact CA-O 3.3Å; I409-H421 HydrophobicContact CB-CB 4.43Å; I409-H421 HydrophobicContact CD1-CB 4.27Å; I409-H421 PolarHBondContact N-O 2.83Å; I409-H421 PolarHBondContact O-N 3.03Å; L419-H421 WeakPolarHBondContact CD1-O 3.26Å; H421-W455 AromaticContact CD2-CH2 3.85Å; H421-V460 HydrophobicContact CB-CG1 4.23Å; H421-V460 WeakPolarHBondContact ND1-CG1 3.31Å; H421-V463 HydrophobicContact CB-CG2 4.18Å
422S95.9Very high90.9Very high50 Ų5057.5 Ų57.535%0.3530%0.301SS..EExtended strand (participates in β ladder)trans-139128175.8-176.20000108.9V407 K408V407-S422 WeakPolarHBondContact O-CA 3.3Å; K408-S422 WeakPolarHBondContact CG-OG 3.11Å
423R94.1Very high91Very high104 Ų10457.5 Ų57.539%0.39230%0.302SS..EExtended strand (participates in β ladder)trans-133.5134.1-177.3-175.5173.9179.8172.90.5110.7H406 V407 M425 W455H406-R423 CarbonylContact C-O 3.58Å; H406-R423 VanDerWaalsContact CA-O 3.32Å; H406-R423 WeakPolarHBondContact CA-O 3.49Å; V407-R423 PolarHBondContact N-O 2.78Å; V407-R423 PolarHBondContact O-N 2.81Å; R423-M425 HydrophobicContact CG-SD 4.2Å; R423-W455 HydrophobicContact CB-CH2 3.81Å; R423-W455 HydrophobicContact CB-CZ3 4.22Å; R423-W455 HydrophobicContact CG-CH2 4.37Å; R423-W455 VanDerWaalsContact NH1-CE2 3.35Å
424D94.1Very high91.4Very high69 Ų6953.8 Ų53.837%0.36928%0.284SS..EExtended strand (participates in β ladder)trans-81.6120.1164.6-176.7-6.7000108.6H406 K426H406-D424 PolarHBondContact ND1-N 2.98Å; D424-K426 VanDerWaalsContact C-N 3.28Å; D424-K426 WeakPolarHBondContact OD1-CA 3.22Å; D424-K426 PolarHBondContact OD1-N 3.07Å
425M89.8Confident92.1Very high3 Ų350.7 Ų50.72%0.01526%0.262CS..  trans-79.7-12.6-179.8-65.4-60.7-80.400112.3K405 V407 R423 M427 L430 F445 R453 W455K405-M425 PolarHBondContact O-N 2.85Å; V407-M425 HydrophobicContact CB-CG 4.32Å; V407-M425 HydrophobicContact CG2-CG 3.57Å; V407-M425 HydrophobicContact CG2-SD 4.42Å; R423-M425 HydrophobicContact CG-SD 4.2Å; M425-M427 HydrophobicContact CB-CB 4.45Å; M425-M427 HydrophobicContact CB-CG 4.13Å; M425-M427 HydrophobicContact CB-SD 4.25Å; M425-M427 PolarHBondContact O-N 3.4Å; M425-L430 HydrophobicContact CB-CD2 4.44Å; M425-L430 HydrophobicContact CG-CD1 4.36Å; M425-F445 HydrophobicContact CE-CD2 4.08Å; M425-R453 PolarHBondContact O-NH1 2.76Å; M425-W455 HydrophobicContact CE-CB 4.33Å; M425-W455 HydrophobicContact CE-CE3 4.23Å; M425-W455 HydrophobicContact SD-CE3 3.99Å; M425-W455 HydrophobicContact SD-CZ3 4.3Å
426K91.3Very high92.8Very high163 Ų16346.9 Ų46.971%0.70924%0.242SC*.SBendtrans58.622-174.9-54.3-178.1179.5178.60114D424D424-K426 VanDerWaalsContact C-N 3.28Å; D424-K426 WeakPolarHBondContact OD1-CA 3.22Å; D424-K426 PolarHBondContact OD1-N 3.07Å
427M88.6Confident93Very high1 Ų141 Ų411%0.00522%0.22CC..SBendtrans-95.910.1-179.5-65.4179.67500113.1M425 L430 Q448 K449 G451 R453M425-M427 HydrophobicContact CB-CB 4.45Å; M425-M427 HydrophobicContact CB-CG 4.13Å; M425-M427 HydrophobicContact CB-SD 4.25Å; M425-M427 PolarHBondContact O-N 3.4Å; M427-L430 HydrophobicContact CB-CD2 4Å; M427-L430 HydrophobicContact SD-CD2 4.39Å; M427-Q448 PolarHBondContact O-N 3.03Å; M427-K449 WeakPolarHBondContact CB-O 3.36Å; M427-K449 PolarHBondContact O-N 3.42Å; M427-G451 WeakPolarHBondContact CE-O 3.15Å; M427-R453 HydrophobicContact CE-CB 3.75Å; M427-R453 HydrophobicContact SD-CB 3.47Å; M427-R453 WeakPolarHBondContact SD-CB 3.34Å; M427-R453 HydrophobicContact SD-CG 4.31Å
428G90.5Very high93Very high11 Ų1141.7 Ų41.711%0.11322%0.222CC..SBendtrans70-147.7-169.200000110.9K405 L430K405-G428 WeakPolarHBondContact CG-O 3.45Å; G428-L430 PolarHBondContact O-N 2.99Å
429V92.6Very high92.9Very high35 Ų3540.8 Ų40.821%0.21221%0.213CC..SBendtrans-61.2130175.6174.20000108.8A403 F431 G447 Q448A403-V429 HydrophobicContact CB-CG1 3.89Å; A403-V429 HydrophobicContact CB-CG2 4.45Å; V429-F431 HydrophobicContact CB-CE1 4.37Å; V429-F431 HydrophobicContact CB-CZ 4.47Å; V429-F431 HydrophobicContact CG1-CD1 3.97Å; V429-F431 HydrophobicContact CG1-CE1 3.63Å; V429-F431 HydrophobicContact CG1-CZ 4.2Å; V429-G447 CarbonylContact O-C 3.55Å; V429-G447 VanDerWaalsContact O-CA 3.31Å; V429-G447 WeakPolarHBondContact O-CA 3.44Å; V429-Q448 HydrophobicContact CB-CB 4.35Å; V429-Q448 PolarHBondContact O-N 3.1Å
430L93.9Very high92.6Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-90.4129.5172.7-64171000108.1S386 V407 M425 M427 G428S386-L430 WeakPolarHBondContact CB-O 3.13Å; S386-L430 PolarHBondContact OG-O 2.99Å; V407-L430 HydrophobicContact CG2-CD1 3.45Å; V407-L430 VanDerWaalsContact CG2-CD1 3.45Å; M425-L430 HydrophobicContact CB-CD2 4.44Å; M425-L430 HydrophobicContact CG-CD1 4.36Å; M427-L430 HydrophobicContact CB-CD2 4Å; M427-L430 HydrophobicContact SD-CD2 4.39Å; G428-L430 PolarHBondContact O-N 2.99Å
431F93Very high92.5Very high67 Ų6736.6 Ų36.629%0.29419%0.189SC..EExtended strand (participates in β ladder)trans-98.6-33.9-178.2-64.5-57.2000112.3Q4 I5 S386 V429 G446 Q448Q4-F431 HydrophobicContact CB-CE2 4.42Å; I5-F431 WeakPolarHBondContact O-CD2 3.39Å; S386-F431 WeakPolarHBondContact CB-O 3.09Å; V429-F431 HydrophobicContact CB-CE1 4.37Å; V429-F431 HydrophobicContact CB-CZ 4.47Å; V429-F431 HydrophobicContact CG1-CD1 3.97Å; V429-F431 HydrophobicContact CG1-CE1 3.63Å; V429-F431 HydrophobicContact CG1-CZ 4.2Å; F431-G446 PolarHBondContact N-O 3.44Å; F431-Q448 HydrophobicContact CE2-CB 3.92Å; F431-Q448 HydrophobicContact CE2-CG 4.37Å; F431-Q448 HydrophobicContact CZ-CB 4.18Å; F431-Q448 HydrophobicContact CZ-CG 4.37Å
432C92.4Very high92.5Very high19 Ų1934.1 Ų34.113%0.12818%0.178CC..EExtended strand (participates in β ladder)trans-150.1154.4-177.155.90000112.2C7 V8 F445 G446C7-C432 VanDerWaalsContact CA-SG 3.59Å; V8-C432 VanDerWaalsContact CG2-SG 3.58Å; C432-F445 WeakPolarHBondContact O-CA 3.43Å; C432-G446 PolarHBondContact N-O 3.16Å; C432-G446 PolarHBondContact O-N 3.21Å
433A94.5Very high92.5Very high9 Ų931.7 Ų31.77%0.07416%0.161CC..EExtended strand (participates in β ladder)trans-138.3139.5171.600000108.4A444 F445A433-A444 WeakPolarHBondContact CA-O 3.49Å; A433-F445 HydrophobicContact CB-CD1 3.62Å; A433-F445 HydrophobicContact CB-CE1 3.6Å
434S95.3Very high92.6Very high24 Ų2426.8 Ų26.817%0.16814%0.143CC..EExtended strand (participates in β ladder)trans-146.5128.7-178.8-163.20000110.8W10 Y443 A444W10-S434 PolarHBondContact NE1-O 3.28Å; S434-Y443 WeakPolarHBondContact O-CA 3.25Å; S434-A444 PolarHBondContact N-O 2.93Å; S434-A444 PolarHBondContact O-N 3.5Å
435C94.6Very high92.6Very high11 Ų1123.5 Ų23.57%0.07413%0.125CC..EExtended strand (participates in β ladder)trans-79.2138.6179-171.50000110.9W10 D389 S392 Y443W10-C435 VanDerWaalsContact CD1-O 3.24Å; D389-C435 WeakPolarHBondContact OD2-CB 3.12Å; D389-C435 PolarHBondContact OD2-N 3.47Å; S392-C435 PolarHBondContact N-SG 3.25Å; C435-Y443 HydrophobicContact CB-CD1 3.8Å; C435-Y443 HydrophobicContact CB-CE1 3.4Å; C435-Y443 VanDerWaalsContact CB-CE1 3.4Å; C435-Y443 VanDerWaalsContact SG-CZ 3.58Å
436C93.8Very high92.8Very high0 Ų023.3 Ų23.30%012%0.124CC..  trans-64.1129.3170-176.20000110W10 S392 D438 L439 V442W10-C436 HydrophobicContact CD2-CB 4.15Å; W10-C436 HydrophobicContact CE3-CB 4.18Å; W10-C436 HydrophobicContact CH2-CB 3.99Å; W10-C436 HydrophobicContact CZ2-CB 3.94Å; W10-C436 HydrophobicContact CZ3-CB 4.11Å; S392-C436 WeakPolarHBondContact CB-O 3.3Å; S392-C436 PolarHBondContact OG-O 3.44Å; C436-D438 VanDerWaalsContact C-N 3.27Å; C436-D438 PolarHBondContact O-N 2.57Å; C436-L439 HydrophobicContact CB-CB 4.12Å; C436-V442 HydrophobicContact CB-CB 3.97Å; C436-V442 HydrophobicContact CB-CG1 4.27Å; C436-V442 WeakPolarHBondContact CB-O 3.37Å; C436-V442 PolarHBondContact N-O 3.06Å
437P90.6Very high92.9Very high35 Ų3515.6 Ų15.623%0.2279%0.091CC..SBendtrans-68-27-178.925.5-34.3000113.2W10 K12W10-P437 VanDerWaalsContact CB-CD 3.46Å; W10-P437 HydrophobicContact CB-CG 4.11Å; K12-P437 HydrophobicContact CD-CB 4.4Å; K12-P437 HydrophobicContact CG-CB 3.76Å; K12-P437 HydrophobicContact CG-CG 3.6Å
438D90.4Very high93Very high50 Ų5018.7 Ų18.727%0.26711%0.105SC..SBendtrans-99.6-26.5-175.1-59.4-58.7000112.9K12 R13 N144 Q393 C436K12-D438 WeakPolarHBondContact CA-OD2 3.39Å; R13-D438 HydrophobicContact CG-CB 4.37Å; R13-D438 PolarHBondContact N-OD2 3.28Å; N144-D438 PolarHBondContact ND2-OD2 3.42Å; Q393-D438 PolarHBondContact NE2-O 2.87Å; C436-D438 VanDerWaalsContact C-N 3.27Å; C436-D438 PolarHBondContact O-N 2.57Å
439L90.9Very high92.8Very high36 Ų3623.6 Ų23.619%0.18812%0.123CC..  trans-116.7113.1-179.4-58.7174.3000110.8Y163 C436 F441 V442Y163-L439 HydrophobicContact CE1-CD1 3.9Å; C436-L439 HydrophobicContact CB-CB 4.12Å; L439-F441 PolarHBondContact O-N 3.27Å; L439-F441 VanDerWaalsContact O-N 3.15Å; L439-V442 HydrophobicContact CB-CB 3.92Å; L439-V442 HydrophobicContact CB-CG2 3.77Å; L439-V442 HydrophobicContact CD1-CB 4.18Å; L439-V442 HydrophobicContact CD1-CG2 3.66Å; L439-V442 HydrophobicContact CG-CG2 4.4Å; L439-V442 PolarHBondContact O-N 3.23Å
440P89.7Confident92.3Very high9 Ų927.5 Ų27.56%0.05814%0.143CC..THydrogen-bonded Turntrans-72-12.9-169.426.9-34.5000115.7S391 Q393 I394S391-P440 WeakPolarHBondContact OG-CB 3.48Å; S391-P440 PolarHBondContact OG-O 2.72Å; Q393-P440 HydrophobicContact CB-CB 3.85Å; Q393-P440 HydrophobicContact CB-CG 4.32Å; Q393-P440 HydrophobicContact CG-CB 4.15Å; Q393-P440 HydrophobicContact CG-CG 4.5Å; I394-P440 HydrophobicContact CD1-CB 3.85Å; I394-P440 HydrophobicContact CD1-CG 4.15Å; I394-P440 HydrophobicContact CG1-CB 3.91Å; I394-P440 HydrophobicContact CG1-CG 4.41Å
441F92Very high91.9Very high18 Ų1828 Ų288%0.07915%0.148CC..THydrogen-bonded Turntrans-109.9-6.4-179.6-61.1-63.3000113.3I394 L439 Y443 D456 I457 V463 F467I394-F441 HydrophobicContact CD1-CD1 3.86Å; I394-F441 HydrophobicContact CD1-CD2 4.43Å; I394-F441 HydrophobicContact CD1-CE1 3.15Å; I394-F441 HydrophobicContact CD1-CE2 3.8Å; I394-F441 HydrophobicContact CD1-CG 4.47Å; I394-F441 HydrophobicContact CD1-CZ 3.12Å; L439-F441 PolarHBondContact O-N 3.27Å; L439-F441 VanDerWaalsContact O-N 3.15Å; F441-Y443 WeakPolarHBondContact O-CD2 3.48Å; F441-D456 WeakPolarHBondContact CB-OD1 3.47Å; F441-D456 WeakPolarHBondContact O-CA 3.47Å; F441-I457 HydrophobicContact CB-CG1 3.82Å; F441-I457 HydrophobicContact CD1-CD1 4.05Å; F441-I457 HydrophobicContact CD1-CG1 3.75Å; F441-I457 HydrophobicContact CG-CG1 4.27Å; F441-I457 WeakPolarHBondContact O-CG1 3.41Å; F441-I457 PolarHBondContact O-N 2.9Å; F441-V463 HydrophobicContact CD1-CG1 4.5Å; F441-V463 HydrophobicContact CE1-CG1 4.44Å; F441-F467 HydrophobicContact CE1-CB 3.85Å; F441-F467 HydrophobicContact CZ-CB 4.29Å
442V94.6Very high91.8Very high2 Ų225.8 Ų25.81%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-93.3126.9-178.5179.50000109.5W10 Y163 C436 L439 I454 D456W10-V442 HydrophobicContact CH2-CG1 3.97Å; W10-V442 HydrophobicContact CZ2-CG1 4.23Å; Y163-V442 HydrophobicContact CE1-CG1 3.75Å; Y163-V442 HydrophobicContact CE1-CG2 4.39Å; C436-V442 HydrophobicContact CB-CB 3.97Å; C436-V442 HydrophobicContact CB-CG1 4.27Å; C436-V442 WeakPolarHBondContact CB-O 3.37Å; C436-V442 PolarHBondContact N-O 3.06Å; L439-V442 HydrophobicContact CB-CB 3.92Å; L439-V442 HydrophobicContact CB-CG2 3.77Å; L439-V442 HydrophobicContact CD1-CB 4.18Å; L439-V442 HydrophobicContact CD1-CG2 3.66Å; L439-V442 HydrophobicContact CG-CG2 4.4Å; L439-V442 PolarHBondContact O-N 3.23Å; V442-I454 HydrophobicContact CG1-CG2 3.46Å; V442-I454 VanDerWaalsContact CG1-CG2 3.46Å; V442-D456 HydrophobicContact CG2-CB 4.25Å
443Y95.4Very high91.9Very high0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-128.5141.7178.1-71.3-100.6000110.1D389 S391 V399 S434 C435 F441 F445 I454 W455 I457D389-Y443 HydrophobicContact CB-CE1 4.47Å; S391-Y443 WeakPolarHBondContact CA-OH 3.44Å; S391-Y443 WeakPolarHBondContact CB-OH 3.23Å; S391-Y443 PolarHBondContact N-OH 3.39Å; V399-Y443 HydrophobicContact CB-CD1 4.14Å; V399-Y443 HydrophobicContact CB-CE1 3.72Å; V399-Y443 HydrophobicContact CG1-CD1 4.24Å; V399-Y443 HydrophobicContact CG1-CE1 4.33Å; V399-Y443 HydrophobicContact CG2-CD1 4.15Å; V399-Y443 HydrophobicContact CG2-CD2 4.29Å; V399-Y443 HydrophobicContact CG2-CE1 3.58Å; V399-Y443 HydrophobicContact CG2-CE2 3.76Å; V399-Y443 HydrophobicContact CG2-CG 4.48Å; S434-Y443 WeakPolarHBondContact O-CA 3.25Å; C435-Y443 HydrophobicContact CB-CD1 3.8Å; C435-Y443 HydrophobicContact CB-CE1 3.4Å; C435-Y443 VanDerWaalsContact CB-CE1 3.4Å; C435-Y443 VanDerWaalsContact SG-CZ 3.58Å; F441-Y443 WeakPolarHBondContact O-CD2 3.48Å; Y443-F445 VanDerWaalsContact CB-CE2 3.45Å; Y443-F445 HydrophobicContact CG-CZ 4.27Å; Y443-I454 CarbonylContact O-C 3.57Å; Y443-I454 WeakPolarHBondContact O-CA 3.21Å; Y443-W455 PolarHBondContact N-O 3.11Å; Y443-W455 PolarHBondContact O-N 3.32Å; Y443-I457 HydrophobicContact CD2-CD1 4.33Å; Y443-I457 HydrophobicContact CD2-CG1 4.45Å; Y443-I457 HydrophobicContact CD2-CG2 4.05Å; Y443-I457 HydrophobicContact CE2-CD1 3.75Å; Y443-I457 HydrophobicContact CE2-CG1 4.26Å
444A95.8Very high91.8Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-104.2136.6170.600000109.8V8 W10 I146 A433 S434 L452V8-A444 HydrophobicContact CG1-CB 3.71Å; W10-A444 HydrophobicContact CZ2-CB 3.58Å; I146-A444 HydrophobicContact CG2-CB 4.33Å; A433-A444 WeakPolarHBondContact CA-O 3.49Å; S434-A444 PolarHBondContact N-O 2.93Å; S434-A444 PolarHBondContact O-N 3.5Å; A444-L452 HydrophobicContact CB-CD1 4.17Å
445F95.6Very high91.8Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-125.4130.2-178.4-60.3-84000110.3V399 V407 M425 C432 A433 Y443 R453 W455V399-F445 HydrophobicContact CG1-CE1 4.02Å; V399-F445 HydrophobicContact CG1-CZ 3.93Å; V407-F445 HydrophobicContact CB-CE1 4.37Å; V407-F445 HydrophobicContact CG1-CE1 3.69Å; V407-F445 HydrophobicContact CG1-CZ 3.72Å; V407-F445 HydrophobicContact CG2-CD1 3.87Å; V407-F445 HydrophobicContact CG2-CE1 3.68Å; V407-F445 HydrophobicContact CG2-CZ 4.19Å; M425-F445 HydrophobicContact CE-CD2 4.08Å; C432-F445 WeakPolarHBondContact O-CA 3.43Å; A433-F445 HydrophobicContact CB-CD1 3.62Å; A433-F445 HydrophobicContact CB-CE1 3.6Å; Y443-F445 VanDerWaalsContact CB-CE2 3.45Å; Y443-F445 HydrophobicContact CG-CZ 4.27Å; F445-R453 PolarHBondContact N-O 3.26Å; F445-R453 PolarHBondContact O-N 2.99Å; F445-W455 HydrophobicContact CD2-CB 4.41Å; F445-W455 HydrophobicContact CE2-CB 4.04Å; F445-W455 AromaticContact CE2-CE3 3.95Å; F445-W455 HydrophobicContact CE2-CE3 3.95Å; F445-W455 HydrophobicContact CZ-CE3 4.28Å
446G94.3Very high91.8Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-103.1131.7171.800000110.8I5 F431 C432I5-G446 CarbonylContact O-C 3.57Å; F431-G446 PolarHBondContact N-O 3.44Å; C432-G446 PolarHBondContact N-O 3.16Å; C432-G446 PolarHBondContact O-N 3.21Å
447G92.1Very high91.7Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-134.5175.8-179.200000113.9Q4 I5 V429 K449 G451Q4-G447 WeakPolarHBondContact CA-O 3.37Å; I5-G447 PolarHBondContact N-O 2.96Å; V429-G447 CarbonylContact O-C 3.55Å; V429-G447 VanDerWaalsContact O-CA 3.31Å; V429-G447 WeakPolarHBondContact O-CA 3.44Å; G447-K449 VanDerWaalsContact C-N 3.31Å; G447-G451 PolarHBondContact N-O 2.98Å
448Q90.6Very high91.7Very high67 Ų6730.6 Ų30.631%0.31315%0.154SC..SBendtrans-71.7-24.7177.4-165.9-1703.900113.2Q4 M427 V429 F431Q4-Q448 HydrophobicContact CG-CG 4.29Å; Q4-Q448 WeakPolarHBondContact CG-O 3.31Å; M427-Q448 PolarHBondContact O-N 3.03Å; V429-Q448 HydrophobicContact CB-CB 4.35Å; V429-Q448 PolarHBondContact O-N 3.1Å; F431-Q448 HydrophobicContact CE2-CB 3.92Å; F431-Q448 HydrophobicContact CE2-CG 4.37Å; F431-Q448 HydrophobicContact CZ-CB 4.18Å; F431-Q448 HydrophobicContact CZ-CG 4.37Å
449K87.1Confident91.8Very high114 Ų11434.3 Ų34.350%0.49617%0.173SC..SBendtrans-132.4152.3-178.8-59.4-176.8-179.2-1780110.1M427 G447 G451M427-K449 WeakPolarHBondContact CB-O 3.36Å; M427-K449 PolarHBondContact O-N 3.42Å; G447-K449 VanDerWaalsContact C-N 3.31Å; K449-G451 PolarHBondContact O-N 3.46Å
450D81Confident91.9Very high117 Ų11733.7 Ų33.763%0.62617%0.171SC*.SBendtrans58.725.4-179.2-68.4-11000114.6L452 R453D450-L452 PolarHBondContact O-N 3.06Å; D450-R453 IonicContact OD2-NH2 2.68Å; D450-R453 PolarHBondContact OD2-NH2 2.99Å
451G85.6Confident92Very high9 Ų936.4 Ų36.49%0.09319%0.194CC..SBendtrans61.5-125.4169.100000114.1I5 M427 G447 K449I5-G451 WeakPolarHBondContact CG1-O 3.48Å; M427-G451 WeakPolarHBondContact CE-O 3.15Å; G447-G451 PolarHBondContact N-O 2.98Å; K449-G451 PolarHBondContact O-N 3.46Å
452L92.4Very high92Very high21 Ų2137.2 Ų37.211%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-99.8136.6-177.9179.862.7000110.1I5 V8 I146 A148 Y161 M170 A444 D450I5-L452 HydrophobicContact CG1-CB 4.07Å; V8-L452 HydrophobicContact CG1-CD1 4.37Å; V8-L452 HydrophobicContact CG2-CD1 3.69Å; I146-L452 HydrophobicContact CG2-CD2 3.9Å; A148-L452 HydrophobicContact CB-CD2 3.91Å; Y161-L452 HydrophobicContact CD1-CD2 4.48Å; Y161-L452 HydrophobicContact CD2-CD2 3.58Å; Y161-L452 HydrophobicContact CE1-CD2 4.47Å; Y161-L452 HydrophobicContact CE2-CD2 3.64Å; Y161-L452 HydrophobicContact CG-CD2 4.03Å; M170-L452 HydrophobicContact CE-CD2 3.21Å; M170-L452 HydrophobicContact CE-CG 3.81Å; A444-L452 HydrophobicContact CB-CD1 4.17Å; D450-L452 PolarHBondContact O-N 3.06Å
453R93.2Very high91.9Very high73 Ų7337.1 Ų37.128%0.27520%0.203SC..EExtended strand (participates in β ladder)trans-133.4130.8174.6-154.6178.8-72.1-175.11.5111.4M425 M427 F445 D450M425-R453 PolarHBondContact O-NH1 2.76Å; M427-R453 HydrophobicContact CE-CB 3.75Å; M427-R453 HydrophobicContact SD-CB 3.47Å; M427-R453 WeakPolarHBondContact SD-CB 3.34Å; M427-R453 HydrophobicContact SD-CG 4.31Å; F445-R453 PolarHBondContact N-O 3.26Å; F445-R453 PolarHBondContact O-N 2.99Å; D450-R453 IonicContact OD2-NH2 2.68Å; D450-R453 PolarHBondContact OD2-NH2 2.99Å
454I94.1Very high91.6Very high34 Ų3439.9 Ų39.917%0.17422%0.223CC..EExtended strand (participates in β ladder)trans-95.9141173.3-56176.6000108.6I146 Y163 M170 V442 Y443I146-I454 HydrophobicContact CD1-CD1 3.25Å; I146-I454 HydrophobicContact CD1-CG1 3.89Å; Y163-I454 HydrophobicContact CD2-CD1 3.26Å; Y163-I454 HydrophobicContact CD2-CG2 4.48Å; Y163-I454 HydrophobicContact CE2-CD1 3.77Å; Y163-I454 HydrophobicContact CE2-CG2 4Å; Y163-I454 HydrophobicContact CG-CD1 3.69Å; M170-I454 HydrophobicContact CB-CD1 4.32Å; M170-I454 HydrophobicContact CE-CD1 3.72Å; M170-I454 HydrophobicContact CE-CG1 4.02Å; M170-I454 HydrophobicContact CG-CD1 3.9Å; M170-I454 HydrophobicContact SD-CD1 3.3Å; M170-I454 WeakPolarHBondContact SD-CD1 3.43Å; M170-I454 HydrophobicContact SD-CG1 3.76Å; V442-I454 HydrophobicContact CG1-CG2 3.46Å; V442-I454 VanDerWaalsContact CG1-CG2 3.46Å; Y443-I454 CarbonylContact O-C 3.57Å; Y443-I454 WeakPolarHBondContact O-CA 3.21Å
455W94.4Very high91.4Very high13 Ų1347.3 Ų47.35%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-139.9124.2174.6179.624.7000110.6V407 I409 H421 R423 M425 Y443 F445 I457 V460V407-W455 HydrophobicContact CB-CZ3 4.1Å; V407-W455 HydrophobicContact CG1-CE3 4.44Å; V407-W455 HydrophobicContact CG1-CZ3 3.83Å; I409-W455 HydrophobicContact CD1-CH2 3.97Å; I409-W455 HydrophobicContact CD1-CZ2 4.49Å; I409-W455 HydrophobicContact CD1-CZ3 4.44Å; H421-W455 AromaticContact CD2-CH2 3.85Å; R423-W455 HydrophobicContact CB-CH2 3.81Å; R423-W455 HydrophobicContact CB-CZ3 4.22Å; R423-W455 HydrophobicContact CG-CH2 4.37Å; R423-W455 VanDerWaalsContact NH1-CE2 3.35Å; M425-W455 HydrophobicContact CE-CB 4.33Å; M425-W455 HydrophobicContact CE-CE3 4.23Å; M425-W455 HydrophobicContact SD-CE3 3.99Å; M425-W455 HydrophobicContact SD-CZ3 4.3Å; Y443-W455 PolarHBondContact N-O 3.11Å; Y443-W455 PolarHBondContact O-N 3.32Å; F445-W455 HydrophobicContact CD2-CB 4.41Å; F445-W455 HydrophobicContact CE2-CB 4.04Å; F445-W455 AromaticContact CE2-CE3 3.95Å; F445-W455 HydrophobicContact CE2-CE3 3.95Å; F445-W455 HydrophobicContact CZ-CE3 4.28Å; W455-I457 HydrophobicContact CD2-CG2 4.04Å; W455-I457 HydrophobicContact CE3-CG2 4.08Å; W455-I457 HydrophobicContact CH2-CG2 4.42Å; W455-I457 HydrophobicContact CZ2-CG2 4.37Å; W455-I457 HydrophobicContact CZ3-CG2 4.28Å; W455-V460 HydrophobicContact CZ2-CG2 3.71Å
456D93.4Very high91.1Very high46 Ų4649.6 Ų49.625%0.24627%0.272CS..EExtended strand (participates in β ladder)trans-81.6112163.1-166.5-32000109.5F441 V442 S458F441-D456 WeakPolarHBondContact CB-OD1 3.47Å; F441-D456 WeakPolarHBondContact O-CA 3.47Å; V442-D456 HydrophobicContact CG2-CB 4.25Å; D456-S458 VanDerWaalsContact CG-OG 3.25Å; D456-S458 PolarHBondContact O-N 2.86Å; D456-S458 WeakPolarHBondContact OD1-CA 3.36Å; D456-S458 WeakPolarHBondContact OD1-CB 3.46Å; D456-S458 PolarHBondContact OD1-N 3.33Å; D456-S458 PolarHBondContact OD1-OG 2.87Å; D456-S458 PolarHBondContact OD2-OG 3.37Å
457I93.4Very high91Very high0 Ų049.7 Ų49.70%027%0.272CS..G310 helixtrans-72.2-14.6-178.966.2170.1000112.8V399 I409 F441 Y443 W455 D459 V460 V463V399-I457 HydrophobicContact CG2-CD1 4.35Å; I409-I457 HydrophobicContact CD1-CB 3.66Å; I409-I457 HydrophobicContact CD1-CD1 4.17Å; I409-I457 HydrophobicContact CD1-CG1 4.49Å; I409-I457 HydrophobicContact CD1-CG2 3.63Å; I409-I457 HydrophobicContact CG2-CD1 4.35Å; F441-I457 HydrophobicContact CB-CG1 3.82Å; F441-I457 HydrophobicContact CD1-CD1 4.05Å; F441-I457 HydrophobicContact CD1-CG1 3.75Å; F441-I457 HydrophobicContact CG-CG1 4.27Å; F441-I457 WeakPolarHBondContact O-CG1 3.41Å; F441-I457 PolarHBondContact O-N 2.9Å; Y443-I457 HydrophobicContact CD2-CD1 4.33Å; Y443-I457 HydrophobicContact CD2-CG1 4.45Å; Y443-I457 HydrophobicContact CD2-CG2 4.05Å; Y443-I457 HydrophobicContact CE2-CD1 3.75Å; Y443-I457 HydrophobicContact CE2-CG1 4.26Å; W455-I457 HydrophobicContact CD2-CG2 4.04Å; W455-I457 HydrophobicContact CE3-CG2 4.08Å; W455-I457 HydrophobicContact CH2-CG2 4.42Å; W455-I457 HydrophobicContact CZ2-CG2 4.37Å; W455-I457 HydrophobicContact CZ3-CG2 4.28Å; I457-D459 VanDerWaalsContact C-N 3.26Å; I457-D459 PolarHBondContact O-N 2.97Å; I457-V460 PolarHBondContact O-N 2.81Å; I457-V463 HydrophobicContact CB-CG1 4.21Å; I457-V463 HydrophobicContact CD1-CG1 3.9Å; I457-V463 HydrophobicContact CG1-CG1 3.87Å; I457-V463 VanDerWaalsContact O-CB 3.29Å; I457-V463 WeakPolarHBondContact O-CB 3.39Å; I457-V463 WeakPolarHBondContact O-CG1 3.48Å
458S90.9Very high90.5Very high34 Ų3451.4 Ų51.424%0.23829%0.29CS..G310 helixtrans-70.5-21.1-179.672.70000113.6D456 V460D456-S458 VanDerWaalsContact CG-OG 3.25Å; D456-S458 PolarHBondContact O-N 2.86Å; D456-S458 WeakPolarHBondContact OD1-CA 3.36Å; D456-S458 WeakPolarHBondContact OD1-CB 3.46Å; D456-S458 PolarHBondContact OD1-N 3.33Å; D456-S458 PolarHBondContact OD1-OG 2.87Å; D456-S458 PolarHBondContact OD2-OG 3.37Å; S458-V460 PolarHBondContact O-N 2.83Å; S458-V460 VanDerWaalsContact O-N 3.14Å
459D91.1Very high90.2Very high127 Ų12753.3 Ų53.368%0.67931%0.31SS*.G310 helixtrans-59-24.8172.6-68.7-19.9000112.6I457 A461I457-D459 VanDerWaalsContact C-N 3.26Å; I457-D459 PolarHBondContact O-N 2.97Å; D459-A461 PolarHBondContact O-N 3.13Å
460V93.7Very high90.2Very high24 Ų2450.3 Ų50.315%0.14530%0.296CS..SBendtrans-79.5115.5175.5-178.80000109.3H421 W455 I457 S458 A462 V463 S464H421-V460 HydrophobicContact CB-CG1 4.23Å; H421-V460 WeakPolarHBondContact ND1-CG1 3.31Å; W455-V460 HydrophobicContact CZ2-CG2 3.71Å; I457-V460 PolarHBondContact O-N 2.81Å; S458-V460 PolarHBondContact O-N 2.83Å; S458-V460 VanDerWaalsContact O-N 3.14Å; V460-A462 VanDerWaalsContact C-N 3.26Å; V460-A462 HydrophobicContact CG1-CB 4.2Å; V460-A462 PolarHBondContact O-N 2.77Å; V460-A462 VanDerWaalsContact O-N 3.13Å; V460-V463 HydrophobicContact CB-CB 4.15Å; V460-V463 HydrophobicContact CB-CG2 3.8Å; V460-V463 HydrophobicContact CG1-CG2 3.95Å; V460-V463 WeakPolarHBondContact O-CA 3.18Å; V460-V463 WeakPolarHBondContact O-CB 3.49Å; V460-V463 PolarHBondContact O-N 3.28Å; V460-S464 PolarHBondContact O-N 2.8Å
461A91.5Very high90.4Very high66 Ų6651.9 Ų51.955%0.54530%0.3SS..Hα-helixtrans-48.8-44.6179.100000113.4D459 V463 S464 E465D459-A461 PolarHBondContact O-N 3.13Å; A461-V463 VanDerWaalsContact C-N 3.31Å; A461-V463 PolarHBondContact O-N 3.47Å; A461-S464 PolarHBondContact O-N 3.26Å; A461-E465 WeakPolarHBondContact O-CB 3.33Å; A461-E465 VanDerWaalsContact O-CG 3.31Å; A461-E465 WeakPolarHBondContact O-CG 3.14Å; A461-E465 PolarHBondContact O-N 2.93Å
462A92.5Very high90.3Very high34 Ų3458.6 Ų58.628%0.28132%0.322SS..Hα-helixtrans-61.7-35.7178.300000113.5V420 V460 V466V420-A462 HydrophobicContact CG1-CB 4.2Å; V420-A462 WeakPolarHBondContact CG1-O 3.27Å; V460-A462 VanDerWaalsContact C-N 3.26Å; V460-A462 HydrophobicContact CG1-CB 4.2Å; V460-A462 PolarHBondContact O-N 2.77Å; V460-A462 VanDerWaalsContact O-N 3.13Å; A462-V466 VanDerWaalsContact O-CG2 3.3Å; A462-V466 WeakPolarHBondContact O-CG2 3.29Å; A462-V466 PolarHBondContact O-N 2.89Å
463V91.4Very high89.5Confident0 Ų061 Ų610%033%0.334CS..Hα-helixtrans-71.9-45.4177.1177.60000109.5I409 V420 H421 F441 I457 V460 A461 E465 V466 F467I409-V463 HydrophobicContact CD1-CG2 3.64Å; I409-V463 HydrophobicContact CG2-CG2 4.33Å; V420-V463 HydrophobicContact CG1-CG2 4.03Å; H421-V463 HydrophobicContact CB-CG2 4.18Å; F441-V463 HydrophobicContact CD1-CG1 4.5Å; F441-V463 HydrophobicContact CE1-CG1 4.44Å; I457-V463 HydrophobicContact CB-CG1 4.21Å; I457-V463 HydrophobicContact CD1-CG1 3.9Å; I457-V463 HydrophobicContact CG1-CG1 3.87Å; I457-V463 VanDerWaalsContact O-CB 3.29Å; I457-V463 WeakPolarHBondContact O-CB 3.39Å; I457-V463 WeakPolarHBondContact O-CG1 3.48Å; V460-V463 HydrophobicContact CB-CB 4.15Å; V460-V463 HydrophobicContact CB-CG2 3.8Å; V460-V463 HydrophobicContact CG1-CG2 3.95Å; V460-V463 WeakPolarHBondContact O-CA 3.18Å; V460-V463 WeakPolarHBondContact O-CB 3.49Å; V460-V463 PolarHBondContact O-N 3.28Å; A461-V463 VanDerWaalsContact C-N 3.31Å; A461-V463 PolarHBondContact O-N 3.47Å; V463-E465 VanDerWaalsContact C-N 3.33Å; V463-E465 PolarHBondContact O-N 3.46Å; V463-V466 PolarHBondContact O-N 2.96Å; V463-F467 HydrophobicContact CB-CD2 4.37Å; V463-F467 HydrophobicContact CG1-CD2 3.66Å; V463-F467 HydrophobicContact CG1-CE2 4.29Å; V463-F467 WeakPolarHBondContact O-CB 3.23Å; V463-F467 WeakPolarHBondContact O-CD2 3.33Å; V463-F467 PolarHBondContact O-N 2.57Å
464S90.8Very high88.3Confident59 Ų5961.8 Ų61.841%0.41335%0.347SS..Hα-helixtrans-60.9-39.8176.9-170.40000112.4V460 A461 G468V460-S464 PolarHBondContact O-N 2.8Å; A461-S464 PolarHBondContact O-N 3.26Å; S464-G468 WeakPolarHBondContact O-CA 3.31Å; S464-G468 PolarHBondContact O-N 3Å
465E90.4Very high86.3Confident155 Ų15565.7 Ų65.772%0.72437%0.372SS*.Hα-helixtrans-62.8-43.3175.8-75.7176.2-177.700112.8A461 V463A461-E465 WeakPolarHBondContact O-CB 3.33Å; A461-E465 VanDerWaalsContact O-CG 3.31Å; A461-E465 WeakPolarHBondContact O-CG 3.14Å; A461-E465 PolarHBondContact O-N 2.93Å; V463-E465 VanDerWaalsContact C-N 3.33Å; V463-E465 PolarHBondContact O-N 3.46Å
466V89.3Confident83.5Confident49 Ų4970.9 Ų70.930%0.29740%0.401SS..Hα-helixtrans-81.2-39.8-175.4174.50000112.6D411 V420 A462 V463 R470D411-V466 HydrophobicContact CB-CG1 4.33Å; V420-V466 HydrophobicContact CG1-CB 4.43Å; V420-V466 HydrophobicContact CG1-CG2 4.16Å; V420-V466 HydrophobicContact CG2-CG1 4.28Å; V420-V466 HydrophobicContact CG2-CG2 4.45Å; A462-V466 VanDerWaalsContact O-CG2 3.3Å; A462-V466 WeakPolarHBondContact O-CG2 3.29Å; A462-V466 PolarHBondContact O-N 2.89Å; V463-V466 PolarHBondContact O-N 2.96Å; V466-R470 PolarHBondContact O-NE 3.29Å
467F91.3Very high80.7Confident1 Ų175 Ų750%0.00443%0.43CS..Hα-helixtrans-110.4-23.8-169.9-59.8-71000113.6I394 C397 I409 D411 V420 F441 V463 S469 R470I394-F467 HydrophobicContact CD1-CB 4.47Å; I394-F467 HydrophobicContact CG2-CB 4.22Å; I394-F467 HydrophobicContact CG2-CD1 3.88Å; I394-F467 HydrophobicContact CG2-CG 4.45Å; C397-F467 HydrophobicContact CB-CD1 3.8Å; C397-F467 HydrophobicContact CB-CE1 3.6Å; C397-F467 HydrophobicContact CB-CG 4.39Å; C397-F467 HydrophobicContact CB-CZ 4.02Å; I409-F467 HydrophobicContact CG2-CE2 3.95Å; I409-F467 HydrophobicContact CG2-CZ 4.48Å; D411-F467 HydrophobicContact CB-CE1 4.11Å; D411-F467 HydrophobicContact CB-CZ 3.89Å; V420-F467 HydrophobicContact CB-CE2 4.26Å; V420-F467 HydrophobicContact CG1-CE2 4.14Å; V420-F467 HydrophobicContact CG2-CE2 3.84Å; V420-F467 HydrophobicContact CG2-CZ 4Å; F441-F467 HydrophobicContact CE1-CB 3.85Å; F441-F467 HydrophobicContact CZ-CB 4.29Å; V463-F467 HydrophobicContact CB-CD2 4.37Å; V463-F467 HydrophobicContact CG1-CD2 3.66Å; V463-F467 HydrophobicContact CG1-CE2 4.29Å; V463-F467 WeakPolarHBondContact O-CB 3.23Å; V463-F467 WeakPolarHBondContact O-CD2 3.33Å; V463-F467 PolarHBondContact O-N 2.57Å; F467-S469 PolarHBondContact O-N 3.48Å; F467-R470 WeakPolarHBondContact O-CB 3.36Å; F467-R470 PolarHBondContact O-N 2.82Å
468G83.5Confident77.6Confident37 Ų3778.2 Ų78.238%0.38146%0.463SS..THydrogen-bonded Turntrans-64-27.1-176.800000113.9S464S464-G468 WeakPolarHBondContact O-CA 3.31Å; S464-G468 PolarHBondContact O-N 3Å
469S83.8Confident74.5Confident106 Ų10681.3 Ų81.374%0.74149%0.485SS*.THydrogen-bonded Turntrans-87.6-5.3175.9610000114.3F467F467-S469 PolarHBondContact O-N 3.48Å
470R86.8Confident71.6Confident51 Ų5184.1 Ų84.119%0.19249%0.494CS..SBendtrans-79.1149.8-176.7-64.4-173.5-171.4-160.4-9111.6I394 K395 D411 V466 F467 R472I394-R470 HydrophobicContact CG2-CB 4.12Å; K395-R470 PolarHBondContact O-NH1 2.91Å; D411-R470 IonicContact OD1-CZ 3.71Å; D411-R470 IonicContact OD1-NH1 2.76Å; D411-R470 PolarHBondContact OD1-NH1 2.98Å; D411-R470 IonicContact OD1-NH2 3.05Å; D411-R470 PolarHBondContact OD1-NH2 3.31Å; D411-R470 IonicContact OD2-CZ 3.48Å; D411-R470 IonicContact OD2-NH1 3.7Å; D411-R470 IonicContact OD2-NH2 2.93Å; D411-R470 PolarHBondContact OD2-NH2 3.28Å; V466-R470 PolarHBondContact O-NE 3.29Å; F467-R470 WeakPolarHBondContact O-CB 3.36Å; F467-R470 PolarHBondContact O-N 2.82Å; R470-R472 PolarHBondContact O-N 3.26Å
471E83.9Confident68.6Low150 Ų15087.3 Ų87.370%0.70152%0.523SS*.  trans-62.5132174.3-172.3178.7-166.800110.9
472R84.4Confident65.5Low150 Ų15089.8 Ų89.857%0.56654%0.536SS*.BIsolated β-bridgetrans-89.8115.9175.6-59.8-179.1-173.2-175.3-0.6108.9Q393 R470 T474Q393-R472 HydrophobicContact CB-CB 4.42Å; R470-R472 PolarHBondContact O-N 3.26Å; R472-T474 PolarHBondContact O-N 3.46Å
473M76.1Confident62.6Low73 Ų7393.1 Ų93.136%0.3656%0.557SS.*  trans-90.791.6176.1-60.8-92-6100108.3F350 Q393 K395 V475F350-M473 HydrophobicContact CD1-CB 4.36Å; F350-M473 HydrophobicContact CD1-CG 4.31Å; F350-M473 HydrophobicContact CE1-CB 3.98Å; F350-M473 HydrophobicContact CE1-CG 4.23Å; Q393-M473 PolarHBondContact O-N 2.92Å; K395-M473 HydrophobicContact CD-CG 4.48Å; K395-M473 HydrophobicContact CG-CG 4.42Å; K395-M473 PolarHBondContact NZ-SD 3.42Å; M473-V475 PolarHBondContact O-N 3.17Å
474T67.1Low59.7Low89 Ų8998.8 Ų98.855%0.54660%0.597SS.*  trans-75.7123.8170.653.20000109.2R472 N476R472-T474 PolarHBondContact O-N 3.46Å; T474-N476 PolarHBondContact O-N 2.83Å
475V53.1Low56.8Low116 Ų116100 Ų10070%0.70361%0.61SS**  trans-71.495.1167.8-178.90000107.2M473 P477M473-V475 PolarHBondContact O-N 3.17Å; V475-P477 VanDerWaalsContact O-CD 3.26Å; V475-P477 WeakPolarHBondContact O-CD 3.5Å
476N34.8Very low53.9Low121 Ų12197.2 Ų97.265%0.64761%0.614SS**  trans-68.6116.7169.3-110.2-10.8000108.1T474 G478T474-N476 PolarHBondContact O-N 2.83Å; N476-G478 PolarHBondContact O-N 3.11Å; N476-G478 VanDerWaalsContact O-N 3.1Å
477P34.1Very low51.1Low134 Ų134100.6 Ų100.687%0.8764%0.635SS**THydrogen-bonded Turntrans-731.7178.130-32.9000113.1V475V475-P477 VanDerWaalsContact O-CD 3.26Å; V475-P477 WeakPolarHBondContact O-CD 3.5Å
478G28.1Very low48.3Very low66 Ų66105.1 Ų105.168%0.6867%0.672SS**THydrogen-bonded Turntrans-111.1-3.8-171.200000117.6N476 Q480N476-G478 PolarHBondContact O-N 3.11Å; N476-G478 VanDerWaalsContact O-N 3.1Å; G478-Q480 PolarHBondContact O-N 2.93Å; G478-Q480 VanDerWaalsContact O-N 3.11Å
479S26.7Very low45.8Very low100 Ų100110.6 Ų110.670%0.69969%0.693SS**  trans-87.882.3176.771.60000110.8A481S479-A481 PolarHBondContact O-N 3.32Å
480Q30.7Very low43.3Very low186 Ų186114 Ų11487%0.86970%0.699SS**  trans-51.1136.1150-76-164.2-8.100108.2G478 S482G478-Q480 PolarHBondContact O-N 2.93Å; G478-Q480 VanDerWaalsContact O-N 3.11Å; Q480-S482 PolarHBondContact O-N 3.03Å
481A30.3Very low40.6Very low91 Ų91120.7 Ų120.775%0.75273%0.732SS**  trans-43.8107.9178.500000111.5S479 S483S479-A481 PolarHBondContact O-N 3.32Å; A481-S483 PolarHBondContact O-N 3.47Å
482S27.3Very low38.4Very low118 Ų118119.9 Ų119.983%0.82574%0.738SS**  trans-7284.2154.560.40000106.2Q480 S484Q480-S482 PolarHBondContact O-N 3.03Å; S482-S484 PolarHBondContact O-N 2.81Å
483S31.3Very low36.3Very low104 Ų104121.7 Ų121.773%0.72777%0.773SS**  trans-57111.7164.247.80000107.2A481 A485A481-S483 PolarHBondContact O-N 3.47Å; S483-A485 PolarHBondContact O-N 2.69Å
484S29.7Very low34.3Very low119 Ų119124.2 Ų124.283%0.83279%0.794SS**  trans-66.783.1165.543.90000108S482 A486S482-S484 PolarHBondContact O-N 2.81Å; S484-A486 PolarHBondContact O-N 3.25Å
485A29.8Very low32.6Very low83 Ų83126 Ų12669%0.68681%0.807SS**  trans-67.292.1162.400000107.3S483 T487S483-A485 PolarHBondContact O-N 2.69Å; A485-T487 PolarHBondContact O-N 2.69Å
486A30.5Very low31.5Very low98 Ų98126.6 Ų126.681%0.8181%0.813SS**  trans-62.6100.1163.500000108S484 A488S484-A486 PolarHBondContact O-N 3.25Å; A486-A488 PolarHBondContact O-N 3.12Å; A486-A488 VanDerWaalsContact O-N 3.11Å
487T30.5Very low31.3Very low120 Ų120126.9 Ų126.974%0.73682%0.823SS**  trans-67.7100.9164.546.80000107.8A485 D489A485-T487 PolarHBondContact O-N 2.69Å; T487-D489 PolarHBondContact O-N 2.85Å
488A32.5Very low31.1Very low96 Ų96126.4 Ų126.479%0.79382%0.82SS**  trans-74.7101.3163.100000107.8A486 M490A486-A488 PolarHBondContact O-N 3.12Å; A486-A488 VanDerWaalsContact O-N 3.11Å; A488-M490 PolarHBondContact O-N 2.82Å
489D30.2Very low31.3Very low151 Ų151130.5 Ų130.581%0.80783%0.829SS**  trans-67114.3164.6-84.3-43.9000108.7T487 E491T487-D489 PolarHBondContact O-N 2.85Å; D489-E491 PolarHBondContact O-N 3.11Å
490M32.2Very low31.7Very low179 Ų179132.6 Ų132.688%0.88284%0.838SS**  trans-91.692.4171.8-156.2177.8-166.100106.7A488 V492A488-M490 PolarHBondContact O-N 2.82Å; M490-V492 PolarHBondContact O-N 3.04Å
491E30.2Very low31.7Very low190 Ų190128.5 Ų128.589%0.88884%0.836SS**  trans-66.7116.5169.2-78.4-170.8143.100109.3D489D489-E491 PolarHBondContact O-N 3.11Å
492V37.5Very low31.8Very low134 Ų134131.7 Ų131.781%0.81284%0.843SS**  trans-88.3118.5164.1-1790000107M490M490-V492 PolarHBondContact O-N 3.04Å
493S40.6Very low32.3Very low188 Ų188132.9 Ų132.9100%1.31584%0.844SS**  trans-145.90157.9-69.60000109.2

Retrieved 493 of 493 residues in 1946.6 ms (Link to these results)

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