A0A093K6U8_STRCA 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 A0A093K6U8, Species STRCA (Struthio camelus australis), Gene n/a, Length 503 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
1M53.9Low85.7Confident194 Ų19434.5 Ų34.596%0.95620%0.198SC*.  0136.50-76.2-178.6-104.600106.5C3 K155M1-C3 PolarHBondContact O-N 2.82Å; M1-K155 HydrophobicContact SD-CD 4.39Å
2S69.3Low85.7Confident69 Ų6940.9 Ų40.948%0.48322%0.217SC..  trans-79.4118.517949.60000108.8P4S2-P4 WeakPolarHBondContact O-CD 3.37Å
3C81.8Confident85.7Confident21 Ų2142.5 Ų42.514%0.14222%0.218CC..  trans-113.688.1177.8-50.70000105.9M1 R152 D154M1-C3 PolarHBondContact O-N 2.82Å; C3-R152 HydrophobicContact CB-CG 4.46Å; C3-R152 PolarHBondContact SG-NH2 2.81Å; C3-D154 WeakPolarHBondContact CB-OD1 3.23Å; C3-D154 PolarHBondContact SG-OD1 2.84Å
4P90.1Very high85Confident24 Ų2443.4 Ų43.416%0.15624%0.243CC..  trans-66143.5-175.425.8-35.8000111.5S2 V153 F434 G450S2-P4 WeakPolarHBondContact O-CD 3.37Å; P4-V153 VanDerWaalsContact CD-O 3.28Å; P4-V153 WeakPolarHBondContact CD-O 3.27Å; P4-V153 HydrophobicContact CG-CB 4.34Å; P4-V153 PolarHBondContact O-N 2.91Å; P4-V153 VanDerWaalsContact O-N 3.1Å; P4-F434 HydrophobicContact CB-CD2 4.46Å; P4-F434 HydrophobicContact CB-CE2 3.92Å; P4-G450 WeakPolarHBondContact CA-O 3.42Å
5V91.9Very high84.7Confident1 Ų143.4 Ų43.41%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-102.7120.2168.4169.70000109C150 G151 F434 G450 G454 L455V5-C150 HydrophobicContact CG1-CB 3.75Å; V5-G151 WeakPolarHBondContact CA-O 3.18Å; V5-F434 WeakPolarHBondContact O-CD2 3.19Å; V5-G450 PolarHBondContact N-O 3.33Å; V5-G454 VanDerWaalsContact CG2-C 3.49Å; V5-L455 HydrophobicContact CG1-CD1 4.49Å; V5-L455 HydrophobicContact CG2-CB 4.28Å
6T91.1Very high84.3Confident16 Ų1641.9 Ų41.910%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-93.3-35.9-167.560.40000112G151 V153 Y183 P184T6-G151 PolarHBondContact N-O 2.87Å; T6-G151 PolarHBondContact OG1-O 2.99Å; T6-V153 HydrophobicContact CG2-CG2 3.82Å; T6-Y183 HydrophobicContact CG2-CD1 4.4Å; T6-Y183 HydrophobicContact CG2-CE1 3.42Å; T6-Y183 VanDerWaalsContact CG2-CE1 3.42Å; T6-Y183 HydrophobicContact CG2-CE2 4.38Å; T6-Y183 WeakPolarHBondContact CG2-OH 3.13Å; T6-P184 WeakPolarHBondContact CB-O 3.33Å; T6-P184 PolarHBondContact OG1-O 2.88Å
7C92.3Very high83.9Confident7 Ų744.3 Ų44.35%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-146.6151.8-176.850.30000110.2C150 G151 L185 V187 C435C7-C150 WeakPolarHBondContact O-CA 3.45Å; C7-G151 PolarHBondContact O-N 3.46Å; C7-L185 WeakPolarHBondContact CB-O 3.32Å; C7-V187 HydrophobicContact CB-CG2 4.47Å; C7-V187 VanDerWaalsContact SG-CG2 3.52Å; C7-C435 VanDerWaalsContact C-SG 3.56Å; C7-C435 VanDerWaalsContact CA-SG 3.57Å
8A94.1Very high83.6Confident17 Ų1749.1 Ų49.114%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-146.5143.3178.100000111L149 A437 L455A8-L149 CarbonylContact C-O 3.53Å; A8-L149 WeakPolarHBondContact CA-O 3.34Å; A8-A437 HydrophobicContact CB-CB 4.42Å; A8-L455 HydrophobicContact CB-CD1 4.13Å
9A93.6Very high83.2Confident9 Ų950.6 Ų50.67%0.07428%0.278CS..EExtended strand (participates in β ladder)trans-141.6153.2176.500000110.8L149 V187A9-L149 HydrophobicContact CB-CB 4.48Å; A9-L149 PolarHBondContact N-O 2.69Å; A9-L149 PolarHBondContact O-N 2.82Å; A9-V187 HydrophobicContact CB-CB 4.49Å; A9-V187 HydrophobicContact CB-CG1 4.04Å
10W93.8Very high83Confident21 Ų2148.9 Ų48.98%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-107.5140.2177.4-7588.5000111.1N146 V148 Y165 A437 C438 C439 P440 V445 A447 I457W10-N146 HydrophobicContact CE3-CB 4.03Å; W10-N146 HydrophobicContact CZ3-CB 3.82Å; W10-V148 HydrophobicContact CD2-CG2 3.88Å; W10-V148 HydrophobicContact CE3-CG2 3.5Å; W10-V148 VanDerWaalsContact CE3-CG2 3.5Å; W10-V148 HydrophobicContact CH2-CG2 3.49Å; W10-V148 VanDerWaalsContact CH2-CG2 3.49Å; W10-V148 HydrophobicContact CZ2-CG2 3.88Å; W10-V148 HydrophobicContact CZ3-CG2 3.28Å; W10-Y165 AromaticContact CH2-CD1 3.77Å; W10-Y165 HydrophobicContact CH2-CD1 3.77Å; W10-Y165 HydrophobicContact CH2-CE1 4.32Å; W10-Y165 HydrophobicContact CH2-CG 4.12Å; W10-Y165 AromaticContact CZ3-CD1 3.75Å; W10-Y165 HydrophobicContact CZ3-CD1 3.75Å; W10-Y165 HydrophobicContact CZ3-CG 4.19Å; W10-A437 PolarHBondContact NE1-O 3.24Å; W10-C438 VanDerWaalsContact CD1-C 3.47Å; W10-C439 HydrophobicContact CD2-CB 4.02Å; W10-C439 HydrophobicContact CE3-CB 4.1Å; W10-C439 HydrophobicContact CH2-CB 4.17Å; W10-C439 HydrophobicContact CZ2-CB 4.08Å; W10-C439 HydrophobicContact CZ3-CB 4.18Å; W10-P440 VanDerWaalsContact CB-CD 3.49Å; W10-P440 HydrophobicContact CB-CG 4.29Å; W10-V445 HydrophobicContact CH2-CG1 3.81Å; W10-V445 HydrophobicContact CZ2-CG1 4Å; W10-A447 HydrophobicContact CZ2-CB 3.75Å; W10-I457 HydrophobicContact CH2-CD1 3.88Å; W10-I457 HydrophobicContact CH2-CG1 4.38Å; W10-I457 HydrophobicContact CH2-CG2 4.35Å; W10-I457 HydrophobicContact CZ2-CD1 4.37Å; W10-I457 HydrophobicContact CZ2-CG1 4.41Å; W10-I457 HydrophobicContact CZ2-CG2 4.49Å
11V90.4Very high82.6Confident0 Ų050.7 Ų50.70%028%0.278CS..EExtended strand (participates in β ladder)trans-102.9139.7167.3-170.80000109.1V15 N146 L147 L149 W189 L218V11-V15 HydrophobicContact CG1-CB 4.15Å; V11-V15 HydrophobicContact CG1-CG1 4.21Å; V11-N146 PolarHBondContact O-ND2 2.87Å; V11-L147 HydrophobicContact CB-CB 3.84Å; V11-L147 HydrophobicContact CB-CG 4.44Å; V11-L147 HydrophobicContact CG2-CB 3.93Å; V11-L147 PolarHBondContact N-O 2.82Å; V11-L149 HydrophobicContact CG2-CD1 3.95Å; V11-L149 HydrophobicContact CG2-CD2 4.46Å; V11-L149 HydrophobicContact CG2-CG 4.09Å; V11-W189 HydrophobicContact CG1-CD2 4.4Å; V11-W189 HydrophobicContact CG1-CG 4.34Å; V11-W189 HydrophobicContact CG2-CB 4.39Å; V11-W189 HydrophobicContact CG2-CG 4.01Å; V11-L218 HydrophobicContact CG2-CD1 4.03Å
12R86.3Confident83.5Confident112 Ų11246 Ų4642%0.42325%0.252SS..PPolyproline II helixtrans-70.5152.7179-72.4-179.3178.8-159.2-4.3111.5V15 P440 D441R12-V15 HydrophobicContact CB-CG2 3.99Å; R12-P440 HydrophobicContact CB-CG 4.44Å; R12-P440 HydrophobicContact CG-CB 3.76Å; R12-P440 HydrophobicContact CG-CG 3.53Å; R12-D441 WeakPolarHBondContact CA-OD2 3.1Å
13R85.9Confident83.7Confident61 Ų6145.8 Ų45.823%0.2325%0.248CC..THydrogen-bonded Turntrans-56.2142.2173.4-69174.3172.6-139-30.2112.2V15 T144 D145 N146 D441R13-V15 PolarHBondContact O-N 3.16Å; R13-T144 WeakPolarHBondContact CD-O 3.47Å; R13-T144 PolarHBondContact NE-O 3.11Å; R13-T144 PolarHBondContact NH2-O 2.87Å; R13-D145 WeakPolarHBondContact CA-O 3.36Å; R13-N146 WeakPolarHBondContact CG-ND2 3.07Å; R13-N146 WeakPolarHBondContact CG-OD1 3.36Å; R13-N146 PolarHBondContact NE-OD1 3.49Å; R13-D441 HydrophobicContact CG-CB 4.36Å; R13-D441 PolarHBondContact N-OD2 3.26Å
14G76Confident82.9Confident55 Ų5553.2 Ų53.257%0.56728%0.281SS*.THydrogen-bonded Turntrans68.714.4172.600000115.6S143G14-S143 PolarHBondContact N-O 2.87Å
15V79.4Confident81.6Confident44 Ų4455.3 Ų55.327%0.26729%0.291SS..  trans-87.6-42.9172.2172.30000111V11 R12 R13 W189 N202V11-V15 HydrophobicContact CG1-CB 4.15Å; V11-V15 HydrophobicContact CG1-CG1 4.21Å; R12-V15 HydrophobicContact CB-CG2 3.99Å; R13-V15 PolarHBondContact O-N 3.16Å; V15-W189 HydrophobicContact CB-CZ2 4.34Å; V15-W189 HydrophobicContact CG1-CH2 4.44Å; V15-W189 HydrophobicContact CG1-CZ2 3.45Å; V15-W189 VanDerWaalsContact CG1-CZ2 3.45Å; V15-W189 HydrophobicContact CG2-CH2 4.39Å; V15-W189 HydrophobicContact CG2-CZ2 4.1Å; V15-N202 HydrophobicContact CG1-CB 4.14Å
16A79.6Confident80.6Confident19 Ų1957.7 Ų57.716%0.15731%0.307CS..SBendtrans-68.5147.3-176.900000111.4I141 L147 N202 D219A16-I141 HydrophobicContact CB-CD1 4.2Å; A16-I141 HydrophobicContact CB-CG2 4.18Å; A16-L147 HydrophobicContact CB-CD1 3.65Å; A16-L147 HydrophobicContact CB-CG 4.4Å; A16-N202 WeakPolarHBondContact CA-ND2 3.23Å; A16-D219 WeakPolarHBondContact CA-OD1 3.42Å
17K76.9Confident79.4Confident83 Ų8364.4 Ų64.436%0.36134%0.338SS..  trans-64.1135.4173-165.9179.5-175-171.80109.8T19 D21 D219K17-T19 WeakPolarHBondContact CD-O 3.16Å; K17-T19 PolarHBondContact O-N 2.79Å; K17-D21 IonicContact NZ-OD1 3.67Å; K17-D21 PolarHBondContact NZ-OD1 3.45Å; K17-D21 IonicContact NZ-OD2 3.89Å; K17-D21 PolarHBondContact NZ-OD2 3.09Å; K17-D219 HydrophobicContact CB-CB 3.87Å; K17-D219 HydrophobicContact CD-CB 4.41Å; K17-D219 PolarHBondContact N-OD1 2.99Å
18E78.1Confident78.4Confident130 Ų13071.8 Ų71.861%0.60737%0.371SS*.SBendtrans-58.1-38.2-177.6-67.8-177.3165.600112.4M140 I141E18-M140 WeakPolarHBondContact O-CA 3.13Å; E18-M140 WeakPolarHBondContact O-CG 3.47Å; E18-I141 WeakPolarHBondContact CA-O 3.44Å; E18-I141 PolarHBondContact O-N 3.44Å
19T76.9Confident77.4Confident79 Ų7974.8 Ų74.849%0.48538%0.382SS..SBendtrans-124.9104.6174.356.70000109K17K17-T19 WeakPolarHBondContact CD-O 3.16Å; K17-T19 PolarHBondContact O-N 2.79Å
20P77.8Confident76.4Confident16 Ų1678.2 Ų78.210%0.10440%0.399CS..PPolyproline II helixtrans-59.8143.1174.9-26.536.9000111.9I141 D219 V221P20-I141 HydrophobicContact CG-CD1 3.75Å; P20-I141 HydrophobicContact CG-CG1 4.41Å; P20-D219 CarbonylContact C-O 3.43Å; P20-D219 WeakPolarHBondContact CA-O 3.42Å; P20-D219 WeakPolarHBondContact CB-O 3.32Å; P20-V221 HydrophobicContact CB-CG2 3.57Å; P20-V221 HydrophobicContact CG-CG2 4.36Å
21D76.5Confident75.4Confident86 Ų8684.3 Ų84.346%0.4643%0.426SS..EExtended strand (participates in β ladder)trans-76.6127176.6-65.5-31.3000109.3K17 D219 I220 V221K17-D21 IonicContact NZ-OD1 3.67Å; K17-D21 PolarHBondContact NZ-OD1 3.45Å; K17-D21 IonicContact NZ-OD2 3.89Å; K17-D21 PolarHBondContact NZ-OD2 3.09Å; D21-D219 PolarHBondContact N-O 3.37Å; D21-I220 WeakPolarHBondContact O-CA 2.92Å; D21-V221 PolarHBondContact O-N 3.31Å
22K72Confident74.8Confident95 Ų9592.3 Ų92.341%0.41346%0.456SS..EExtended strand (participates in β ladder)trans-90.3123.5175.9-68.2-173.5177.6-174.10110Q24 V221K22-Q24 PolarHBondContact O-N 3.35Å; K22-Q24 VanDerWaalsContact O-N 3.13Å; K22-V221 HydrophobicContact CG-CB 4.24Å
23V72.4Confident74.3Confident65 Ų6588.7 Ų88.739%0.39445%0.445SS..  trans-74105.4174.5-176.30000109.3L25 I220 V221V23-L25 HydrophobicContact CG1-CD2 4.26Å; V23-L25 HydrophobicContact CG1-CG 4.33Å; V23-I220 HydrophobicContact CG2-CG2 3.3Å; V23-V221 PolarHBondContact N-O 3.28Å
24Q65.6Low74Confident177 Ų17790.6 Ų90.683%0.82746%0.459SS*.  trans-94105.4169.9-66.7-175.13.500109.3K22K22-Q24 PolarHBondContact O-N 3.35Å; K22-Q24 VanDerWaalsContact O-N 3.13Å
25L63.6Low73.9Confident69 Ų6990 Ų9036%0.36145%0.452SS..  trans-74.8131.1175.6-69.7171000111.1V23 E29 L30 L33 L224V23-L25 HydrophobicContact CG1-CD2 4.26Å; V23-L25 HydrophobicContact CG1-CG 4.33Å; L25-E29 HydrophobicContact CD2-CB 4.14Å; L25-L30 HydrophobicContact CD1-CD1 4.16Å; L25-L33 HydrophobicContact CD1-CD1 3.92Å; L25-L33 HydrophobicContact CD2-CD1 3.98Å; L25-L224 HydrophobicContact CD1-CD1 3.46Å; L25-L224 VanDerWaalsContact CD1-CD1 3.46Å
26S70.3Confident73.7Confident51 Ų5191.8 Ų91.836%0.35746%0.458SS..  trans-69.4155.1166.666.50000110.8E28 E29 L30S26-E28 PolarHBondContact O-N 2.98Å; S26-E28 VanDerWaalsContact O-N 3.1Å; S26-E29 WeakPolarHBondContact CB-OE2 3.29Å; S26-E29 PolarHBondContact N-OE2 2.89Å; S26-E29 PolarHBondContact O-N 3.44Å; S26-E29 VanDerWaalsContact O-N 3.13Å; S26-E29 VanDerWaalsContact OG-CG 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.49Å; S26-E29 PolarHBondContact OG-N 3.06Å; S26-E29 PolarHBondContact OG-OE2 3.35Å; S26-L30 PolarHBondContact O-N 2.84Å
27Q66.9Low73.5Confident157 Ų15793.1 Ų93.173%0.73447%0.469SS*.Hα-helixtrans-56.5-28.6177.5-117.7-176.64.300112.9K31Q27-K31 WeakPolarHBondContact O-CB 3.08Å; Q27-K31 VanDerWaalsContact O-CG 3.32Å; Q27-K31 WeakPolarHBondContact O-CG 3.42Å; Q27-K31 PolarHBondContact O-N 3.36Å
28E69.6Low73.3Confident162 Ų16295.2 Ų95.276%0.75747%0.474SS*.Hα-helixtrans-75.9-41.7178.8-62.7-177177.900112S26 K31 R32S26-E28 PolarHBondContact O-N 2.98Å; S26-E28 VanDerWaalsContact O-N 3.1Å; E28-K31 PolarHBondContact O-N 3.26Å; E28-R32 PolarHBondContact O-N 2.96Å
29E73Confident73Confident80 Ų8093.6 Ų93.637%0.37448%0.477SS..Hα-helixtrans-67.8-40.5176.3-71.6162.7148.800111.5L25 S26 K31 R32 L33L25-E29 HydrophobicContact CD2-CB 4.14Å; S26-E29 WeakPolarHBondContact CB-OE2 3.29Å; S26-E29 PolarHBondContact N-OE2 2.89Å; S26-E29 PolarHBondContact O-N 3.44Å; S26-E29 VanDerWaalsContact O-N 3.13Å; S26-E29 VanDerWaalsContact OG-CG 3.26Å; S26-E29 WeakPolarHBondContact OG-CG 3.49Å; S26-E29 PolarHBondContact OG-N 3.06Å; S26-E29 PolarHBondContact OG-OE2 3.35Å; E29-K31 VanDerWaalsContact C-N 3.34Å; E29-K31 PolarHBondContact O-N 3.48Å; E29-R32 WeakPolarHBondContact O-CB 3.43Å; E29-R32 PolarHBondContact O-N 3.15Å; E29-L33 WeakPolarHBondContact O-CG 3.16Å; E29-L33 PolarHBondContact O-N 3.02Å
30L73.8Confident72.5Confident80 Ų8098 Ų9842%0.41949%0.485SS..Hα-helixtrans-61.2-44.4174.4-17367.7000111L25 S26 R32 L33 I34L25-L30 HydrophobicContact CD1-CD1 4.16Å; S26-L30 PolarHBondContact O-N 2.84Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.05Å; L30-L33 PolarHBondContact O-N 3.43Å; L30-I34 HydrophobicContact CD1-CD1 4.38Å; L30-I34 HydrophobicContact CD2-CD1 4.5Å; L30-I34 HydrophobicContact CG-CD1 3.91Å; L30-I34 WeakPolarHBondContact O-CB 3.25Å; L30-I34 VanDerWaalsContact O-CG1 3.23Å; L30-I34 WeakPolarHBondContact O-CG1 3.26Å; L30-I34 PolarHBondContact O-N 3.26Å
31K71.6Confident72.1Confident150 Ų150103.8 Ų103.865%0.65251%0.514SS*.Hα-helixtrans-60.6-40.3174.2-81.3177.6-178.9178.50112.2Q27 E28 E29 G35Q27-K31 WeakPolarHBondContact O-CB 3.08Å; Q27-K31 VanDerWaalsContact O-CG 3.32Å; Q27-K31 WeakPolarHBondContact O-CG 3.42Å; Q27-K31 PolarHBondContact O-N 3.36Å; E28-K31 PolarHBondContact O-N 3.26Å; E29-K31 VanDerWaalsContact C-N 3.34Å; E29-K31 PolarHBondContact O-N 3.48Å; K31-G35 PolarHBondContact O-N 3.45Å
32R79.1Confident71Confident168 Ų168102.3 Ų102.363%0.63452%0.52SS*.Hα-helixtrans-63.3-47.6176.4-171.6-176.972.4-171.8-0111.3E28 E29 L30 G35 E36E28-R32 PolarHBondContact O-N 2.96Å; E29-R32 WeakPolarHBondContact O-CB 3.43Å; E29-R32 PolarHBondContact O-N 3.15Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.05Å; R32-G35 PolarHBondContact O-N 3.35Å; R32-E36 PolarHBondContact O-N 3Å
33L76.3Confident69.9Low36 Ų36103.7 Ų103.719%0.18853%0.527CS..Hα-helixtrans-61.7-44.6178.7-74165.6000111.6L25 E29 L30 G35 E36 A37 L224L25-L33 HydrophobicContact CD1-CD1 3.92Å; L25-L33 HydrophobicContact CD2-CD1 3.98Å; E29-L33 WeakPolarHBondContact O-CG 3.16Å; E29-L33 PolarHBondContact O-N 3.02Å; L30-L33 PolarHBondContact O-N 3.43Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 2.85Å; L33-E36 PolarHBondContact O-N 3.05Å; L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 3.42Å; L33-L224 HydrophobicContact CD1-CD1 3.98Å
34I78.3Confident68.4Low101 Ų101108.4 Ų108.452%0.51855%0.55SS.*Hα-helixtrans-61.8-43.7174.8-67.5166.6000110.5L30 A37 R38L30-I34 HydrophobicContact CD1-CD1 4.38Å; L30-I34 HydrophobicContact CD2-CD1 4.5Å; L30-I34 HydrophobicContact CG-CD1 3.91Å; L30-I34 WeakPolarHBondContact O-CB 3.25Å; L30-I34 VanDerWaalsContact O-CG1 3.23Å; L30-I34 WeakPolarHBondContact O-CG1 3.26Å; L30-I34 PolarHBondContact O-N 3.26Å; I34-A37 PolarHBondContact O-N 3.08Å; I34-R38 VanDerWaalsContact O-CB 3.29Å; I34-R38 WeakPolarHBondContact O-CB 3.32Å; I34-R38 PolarHBondContact O-N 3.46Å
35G73.5Confident67.2Low41 Ų41103.1 Ų103.142%0.42354%0.537SS..Hα-helixtrans-61.2-43.3177.300000112.9K31 R32 L33 R38 S39K31-G35 PolarHBondContact O-N 3.45Å; R32-G35 PolarHBondContact O-N 3.35Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 2.85Å; G35-R38 PolarHBondContact O-N 3.02Å; G35-S39 WeakPolarHBondContact O-CB 3.5Å; G35-S39 PolarHBondContact O-N 3.17Å
36E76.9Confident66.1Low82 Ų82108.1 Ų108.138%0.38356%0.564SS.*Hα-helixtrans-68.2-42.9176.7-172.8172.5176.500112R32 L33 R38 S39 R40R32-E36 PolarHBondContact O-N 3Å; L33-E36 PolarHBondContact O-N 3.05Å; E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.19Å; E36-S39 WeakPolarHBondContact O-CB 3.45Å; E36-S39 PolarHBondContact O-N 3.16Å; E36-R40 WeakPolarHBondContact O-CG 3.45Å; E36-R40 PolarHBondContact O-N 3.4Å; E36-R40 IonicContact OE1-CZ 3.72Å; E36-R40 VanDerWaalsContact OE1-CZ 3.31Å; E36-R40 IonicContact OE1-NE 3.13Å; E36-R40 PolarHBondContact OE1-NE 2.98Å; E36-R40 IonicContact OE1-NH2 2.78Å; E36-R40 PolarHBondContact OE1-NH2 3.42Å
37A74.6Confident64.5Low47 Ų47108.4 Ų108.439%0.38858%0.575SS.*Hα-helixtrans-59.7-44.3174.400000111.3L33 I34 S39 R40 L41L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 3.42Å; I34-A37 PolarHBondContact O-N 3.08Å; A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 2.89Å; A37-R40 PolarHBondContact O-N 2.88Å; A37-L41 WeakPolarHBondContact O-CB 3.33Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.08Å; A37-L41 PolarHBondContact O-N 2.89Å
38R73.4Confident62.9Low127 Ų127106.2 Ų106.248%0.47958%0.577SS.*Hα-helixtrans-62.8-40.2176.4-164.2177.7-168.4-168.61.2112.1I34 G35 E36 L41 G42 E43I34-R38 VanDerWaalsContact O-CB 3.29Å; I34-R38 WeakPolarHBondContact O-CB 3.32Å; I34-R38 PolarHBondContact O-N 3.46Å; G35-R38 PolarHBondContact O-N 3.02Å; E36-R38 VanDerWaalsContact C-N 3.34Å; E36-R38 PolarHBondContact O-N 3.19Å; R38-L41 PolarHBondContact O-N 3.26Å; R38-G42 PolarHBondContact O-N 2.92Å; R38-E43 HydrophobicContact CG-CB 4.1Å; R38-E43 IonicContact NE-OE2 3.59Å; R38-E43 PolarHBondContact O-N 3.12Å
39S70.3Confident61.3Low96 Ų96106.4 Ų106.467%0.67158%0.583SS**Hα-helixtrans-64.8-43174.5-172.10000112.3G35 E36 A37 L41 G42G35-S39 WeakPolarHBondContact O-CB 3.5Å; G35-S39 PolarHBondContact O-N 3.17Å; E36-S39 WeakPolarHBondContact O-CB 3.45Å; E36-S39 PolarHBondContact O-N 3.16Å; A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 2.89Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 2.75Å; S39-G42 PolarHBondContact O-N 3Å
40R67.9Low59.4Low173 Ų173111.1 Ų111.165%0.65361%0.605SS**Hα-helixtrans-65.5-34.8176-73.1178.2-177.3-1792.8112.5E36 A37 G42E36-R40 WeakPolarHBondContact O-CG 3.45Å; E36-R40 PolarHBondContact O-N 3.4Å; E36-R40 IonicContact OE1-CZ 3.72Å; E36-R40 VanDerWaalsContact OE1-CZ 3.31Å; E36-R40 IonicContact OE1-NE 3.13Å; E36-R40 PolarHBondContact OE1-NE 2.98Å; E36-R40 IonicContact OE1-NH2 2.78Å; E36-R40 PolarHBondContact OE1-NH2 3.42Å; A37-R40 PolarHBondContact O-N 2.88Å; R40-G42 VanDerWaalsContact C-N 3.28Å
41L69.3Low57.6Low137 Ų137116.4 Ų116.472%0.71763%0.628SS**Hα-helixtrans-77.3-11.8177.8-70.9168.3000113.3A37 R38 S39 E43A37-L41 WeakPolarHBondContact O-CB 3.33Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.08Å; A37-L41 PolarHBondContact O-N 2.89Å; R38-L41 PolarHBondContact O-N 3.26Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-L41 PolarHBondContact O-N 2.75Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-E43 PolarHBondContact O-N 3.21Å
42G51.9Low55.5Low55 Ų55118.2 Ų118.257%0.56764%0.638SS**THydrogen-bonded Turntrans6734.1174.900000113.2R38 S39 R40 D44R38-G42 PolarHBondContact O-N 2.92Å; S39-G42 PolarHBondContact O-N 3Å; R40-G42 VanDerWaalsContact C-N 3.28Å; G42-D44 VanDerWaalsContact C-N 3.25Å; G42-D44 PolarHBondContact O-N 3.5Å; G42-D44 VanDerWaalsContact O-N 3.07Å
43E50.3Low53.5Low124 Ų124119.9 Ų119.958%0.57965%0.653SS**  trans-78.782.5165.1-70.5-174.5171.900108.7R38 L41 A45R38-E43 HydrophobicContact CG-CB 4.1Å; R38-E43 IonicContact NE-OE2 3.59Å; R38-E43 PolarHBondContact O-N 3.12Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-E43 PolarHBondContact O-N 3.21Å; E43-A45 PolarHBondContact O-N 3.11Å
44D40.6Very low51.2Low164 Ų164121.8 Ų121.888%0.87768%0.682SS**  trans-6292.5150.7-72.7-38.4000106.2G42 D46G42-D44 VanDerWaalsContact C-N 3.25Å; G42-D44 PolarHBondContact O-N 3.5Å; G42-D44 VanDerWaalsContact O-N 3.07Å; D44-D46 PolarHBondContact O-N 3.05Å
45A40.4Very low48.8Very low65 Ų65126 Ų12654%0.53770%0.7SS.*  trans-67.590.8166.700000107.8E43 G47E43-A45 PolarHBondContact O-N 3.11Å; A45-G47 PolarHBondContact O-N 3.2Å; A45-G47 VanDerWaalsContact O-N 3.16Å
46D41Very low46.9Very low175 Ų175133 Ų13394%0.93672%0.724SS**  trans-70.399.3158.4-147.710.3000106.4D44D44-D46 PolarHBondContact O-N 3.05Å
47G35.7Very low44.5Very low56 Ų56134.1 Ų134.158%0.57775%0.746SS**SBendtrans169.759.7-176.900000115.7A45A45-G47 PolarHBondContact O-N 3.2Å; A45-G47 VanDerWaalsContact O-N 3.16Å
48S32.5Very low42.3Very low111 Ų111140.1 Ų140.178%0.77677%0.772SS**  trans50.5101.315459.80000119.1E50S48-E50 PolarHBondContact O-N 3.3Å
49D37.1Very low40.1Very low167 Ų167137.3 Ų137.389%0.89378%0.783SS**  trans-64.2117.8144.7-74.7-37.1000109.1
50E33.3Very low38Very low179 Ų179141.3 Ų141.384%0.83679%0.793SS**  trans-121.2107.6149.1-76-167171.100108.2S48 E52S48-E50 PolarHBondContact O-N 3.3Å; E50-E52 PolarHBondContact O-N 3.48Å
51E35.2Very low36.1Very low191 Ų191140 Ų14089%0.89380%0.799SS**  trans-66.4114.9162-66.2-177.8159.500108.8
52E28.9Very low34.1Very low188 Ų188139.8 Ų139.888%0.87980%0.803SS**  trans-125.2113.6153.8-89-163.3156.200110.6E50E50-E52 PolarHBondContact O-N 3.48Å
53Q35.7Very low32.8Very low202 Ų202141.8 Ų141.894%0.94481%0.814SS**  trans-67.7125.8164.4-72.1176.1-3.300109.7
54G28Very low31.9Very low77 Ų77141.9 Ų141.979%0.79483%0.825SS**  trans-162.8108.5168.500000111.9
55Q29Very low31.2Very low190 Ų190139.1 Ų139.189%0.88883%0.825SS**  trans-72.2138.7174.6-77.6173-13.100112.2
56M32.9Very low30.5Very low188 Ų188142.8 Ų142.893%0.92684%0.836SS**  trans48113.6150.1-55.4-137.4-166.100119.9
57A27.4Very low29.8Very low104 Ų104145 Ų14586%0.8683%0.831SS**  -172147.1120.700000111.7
58D28.8Very low29.4Very low174 Ų174146.3 Ų146.393%0.9384%0.836SS**  trans-44.9153.6173.7-160.115.8000116.3
59G26.7Very low29.1Very low68 Ų68149.9 Ų149.970%0.70184%0.84SS**  trans134.895.6161.400000118.2
60M26.6Very low28.7Very low180 Ų180146.8 Ų146.889%0.88783%0.832SS**  trans17.6133.2143.1-115.5150.8172.700122.9
61D26.8Very low28.4Very low145 Ų145144.1 Ų144.178%0.77583%0.833SS**  trans99.6130.7132.7-97.3-35000122.8
62V26.8Very low27.9Very low132 Ų132144.2 Ų144.280%0.883%0.831SS**  trans-110.7123.5-175.6-173.80000107.9
63A26.1Very low27.8Very low97 Ų97142.5 Ų142.580%0.80283%0.828SS**  trans-113.8131.6156.900000108.2
64P30Very low27.4Very low126 Ų126141.3 Ų141.382%0.81882%0.822SS**  trans-91.1158.9179.132.7-26.8000112.7
65A27.3Very low27.4Very low106 Ų106144.7 Ų144.788%0.87682%0.822SS**  trans-73.2162.1-173.800000114.5
66D24.3Very low27.3Very low142 Ų142143.6 Ų143.676%0.75982%0.817SS**  trans-110.5162.3-178.7-1565.7000109.7
67R28Very low27.1Very low223 Ų223143.5 Ų143.584%0.84281%0.814SS**  trans86.5144160.5-64.7-178.5174.7-178.9-2.5119.2
68A26.4Very low27.2Very low82 Ų82143.2 Ų143.268%0.67881%0.811SS**  cis-178178.4-3.100000109.5
69E26.8Very low27.2Very low186 Ų186139.7 Ų139.787%0.86981%0.807SS**  trans95.4132.8159.2-59.4-167.8167.700116.5
70S27.3Very low27.4Very low103 Ų103142.9 Ų142.972%0.7281%0.812SS**  cis-166.3140.2-14.8510000107.7
71S26.8Very low27.8Very low122 Ų122143.6 Ų143.685%0.85381%0.814SS**  trans-42.8141.7178.448.70000118.5
72K25.9Very low28.4Very low194 Ų194146.2 Ų146.284%0.84382%0.818SS**  trans-101.6138.9156.8-79.8180175.81740110.4
73N26.6Very low28.8Very low152 Ų152148.1 Ų148.181%0.81382%0.823SS**  trans46.7120147.3-65.12.6000121.5
74E27.1Very low29.5Very low177 Ų177147.8 Ų147.883%0.82782%0.815SS**  trans-18.1126.9138.6-59.9169.3161.500114.2
75D27.3Very low30.4Very low148 Ų148148.9 Ų148.979%0.79181%0.814SS**  -175.7157.586-100.1-34.8000111.2
76Q27.5Very low31.7Very low166 Ų166150.4 Ų150.478%0.77681%0.807SS**  trans-52.8157.2177.7-63.2159.2-6.700112
77E28Very low32.9Very low187 Ų187151.1 Ų151.187%0.87481%0.806SS**  -175.9161.459.5-143.2167.2-152.900110.4
78A29.7Very low34.1Very low97 Ų97146.7 Ų146.780%0.80280%0.799SS**  trans-72.6151.4-16400000117.4
79A29.8Very low35.4Very low101 Ų101146.2 Ų146.284%0.83579%0.794SS**  -171.1105.9123.400000110.3
80T30Very low36.6Very low134 Ų134144.6 Ų144.682%0.82279%0.787SS**  trans-71.5122.1167.944.50000110.9
81E34.8Very low37.8Very low196 Ų196147.8 Ų147.892%0.91678%0.784SS**  trans-101.3115.8150.4-75.6-158.7161.500108.5
82K39.5Very low39Very low199 Ų199147 Ų14787%0.86577%0.77SS**PPolyproline II helixtrans-74.6123168.9-72.3-178.6172.4-170.80108.3
83L36.7Very low40.4Very low172 Ų172142.9 Ų142.990%0.90176%0.757SS**PPolyproline II helixtrans-90.9139.8146.9-78.3159.3000107.7
84S39.8Very low41.8Very low91 Ų91143.4 Ų143.464%0.63676%0.76SS**PPolyproline II helixtrans-75.8146.2-162.740.80000114.1D86S84-D86 PolarHBondContact O-N 3.48Å
85D48.1Very low43.1Very low148 Ų148141 Ų14179%0.79175%0.747SS**THydrogen-bonded Turntrans-58.37.3174.7-67.3-37.1000115.6
86D55.2Low44.3Very low138 Ų138143.3 Ų143.374%0.73875%0.746SS**THydrogen-bonded Turntrans-93.7-6.4-166.7-127.712.6000114.2S84S84-D86 PolarHBondContact O-N 3.48Å
87E50.4Low45.6Very low158 Ų158142.9 Ų142.974%0.73875%0.749SS**SBendtrans-98-16.8177.5-127.5174.2174.600112.8
88L52.3Low47Very low130 Ų130141.5 Ų141.568%0.68174%0.742SS**SBendtrans-82.7-21.4174.7-87.9138.7000112.7E90L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 2.73Å
89A53.9Low47.6Very low71 Ų71146 Ų14659%0.58775%0.747SS**G310 helixtrans-76.4-13.8178.200000113.6Y91A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 3.41Å
90E52.5Low48.2Very low152 Ų152149.5 Ų149.571%0.7175%0.746SS**G310 helixtrans-72.4-19.9178.4-167.4169.8-163.100112.6L88L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 2.73Å
91Y52.8Low49.1Very low170 Ų170150.9 Ų150.967%0.66775%0.748SS**G310 helixtrans-107.44.9-174.7-68.3-82.5000114.9A89 L93A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 3.41Å; Y91-L93 PolarHBondContact O-N 2.95Å
92D50.8Low49.4Very low106 Ų106147.6 Ų147.657%0.56774%0.742SS**THydrogen-bonded Turntrans39.643.8175.3-146.35.1000114.1D94D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 3.36Å
93L56.4Low49.2Very low108 Ų108141.2 Ų141.257%0.56573%0.732SS**G310 helixtrans-73.4-18.3-176.4-85.9159.8000113.2Y91 K95Y91-L93 PolarHBondContact O-N 2.95Å; L93-K95 PolarHBondContact O-N 3.27Å
94D54.6Low49.7Very low163 Ų163140.7 Ų140.787%0.87273%0.73SS**G310 helixtrans-79.5-7.2-179.2-67.8-18.8000113D92D92-D94 VanDerWaalsContact C-N 3.27Å; D92-D94 PolarHBondContact O-N 3.36Å
95K54.5Low49.8Very low126 Ų126142 Ų14255%0.54874%0.735SS.*G310 helixtrans-117.212.3176.7-72.3-169.3177-177.30114.1L93 D97 E98L93-K95 PolarHBondContact O-N 3.27Å; K95-D97 PolarHBondContact O-N 2.89Å; K95-E98 PolarHBondContact O-N 2.96Å; K95-E98 VanDerWaalsContact O-N 3.16Å
96Y52.7Low49.8Very low196 Ų196141.4 Ų141.477%0.76973%0.725SS**THydrogen-bonded Turntrans-64.3-23.4-178.2-158.7-98000113.3
97D55.3Low49.3Very low157 Ų157141.6 Ų141.684%0.8473%0.725SS**THydrogen-bonded Turntrans-100-2.5178.9-68.4-16.6000113.8K95K95-D97 PolarHBondContact O-N 2.89Å
98E56.8Low49Very low159 Ų159136.7 Ų136.774%0.74372%0.717SS**  trans-121.960.8-177.6-69.2-167.9173.100112.1K95K95-E98 PolarHBondContact O-N 2.96Å; K95-E98 VanDerWaalsContact O-N 3.16Å
99E43.4Very low48.8Very low191 Ų191136.3 Ų136.389%0.89371%0.712SS**  trans-104113.6154.8-79.1-153.8160.900111.6
100E42.3Very low48.5Very low175 Ų175138.1 Ų138.182%0.81872%0.715SS**  trans-66.2124.1175-155.8176.6-162.900110.4T102E100-T102 PolarHBondContact O-N 2.71Å; E100-T102 PolarHBondContact O-OG1 2.76Å
101N48.4Very low48.2Very low162 Ų162136.8 Ų136.887%0.86671%0.712SS**SBendtrans-36.287.2169.2-179.547000114.4
102T41.1Very low47.9Very low128 Ų128132.5 Ų132.579%0.78571%0.712SS**  trans-146.3112.6168.350.70000111.7E100E100-T102 PolarHBondContact O-N 2.71Å; E100-T102 PolarHBondContact O-OG1 2.76Å
103G35.8Very low47.7Very low64 Ų64130.5 Ų130.566%0.6672%0.717SS**  trans111.179.9159.900000116.1T105G103-T105 PolarHBondContact O-N 2.79Å
104D47.1Very low47.5Very low162 Ų162131.2 Ų131.287%0.86672%0.721SS**  trans2.173.9140.1-151.914.2000117.9
105T40.9Very low47.5Very low119 Ų119125.7 Ų125.773%0.7370%0.698SS**  trans-140.493.4155.951.50000111G103 L107G103-T105 PolarHBondContact O-N 2.79Å; T105-L107 PolarHBondContact O-N 2.82Å
106K48.7Very low47.6Very low134 Ų134126.5 Ų126.558%0.58371%0.713SS**  trans-5.776.4150.7-68.5156.6157.1-139.10117.2G108 E109K106-G108 VanDerWaalsContact C-N 3.34Å; K106-E109 HydrophobicContact CB-CB 4.26Å; K106-E109 HydrophobicContact CB-CG 4.18Å; K106-E109 HydrophobicContact CD-CG 4.41Å; K106-E109 WeakPolarHBondContact CD-OE2 3.48Å; K106-E109 VanDerWaalsContact CE-CD 3.47Å; K106-E109 WeakPolarHBondContact CE-OE1 3.49Å; K106-E109 WeakPolarHBondContact CE-OE2 3.49Å; K106-E109 HydrophobicContact CG-CG 4.14Å; K106-E109 IonicContact NZ-OE1 3.7Å; K106-E109 PolarHBondContact NZ-OE1 2.92Å; K106-E109 IonicContact NZ-OE2 2.98Å; K106-E109 PolarHBondContact NZ-OE2 2.83Å
107L45.7Very low47.8Very low143 Ų143120.6 Ų120.675%0.74969%0.69SS**SBendtrans-82.5-17.7156.6-93.5145.3000112T105 E109T105-L107 PolarHBondContact O-N 2.82Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.07Å
108G43.8Very low47.9Very low54 Ų54117.2 Ų117.256%0.55769%0.692SS**Hα-helixtrans-70.6-22.3173.900000114.4K106 A112K106-G108 VanDerWaalsContact C-N 3.34Å; G108-A112 WeakPolarHBondContact O-CB 3.33Å; G108-A112 PolarHBondContact O-N 3.2Å; G108-A112 VanDerWaalsContact O-N 3.11Å
109E47.6Very low47.9Very low123 Ų123112 Ų11258%0.57567%0.673SS**Hα-helixtrans-83.8-23-179.1-73.1-173.1168.700113.5K106 L107K106-E109 HydrophobicContact CB-CB 4.26Å; K106-E109 HydrophobicContact CB-CG 4.18Å; K106-E109 HydrophobicContact CD-CG 4.41Å; K106-E109 WeakPolarHBondContact CD-OE2 3.48Å; K106-E109 VanDerWaalsContact CE-CD 3.47Å; K106-E109 WeakPolarHBondContact CE-OE1 3.49Å; K106-E109 WeakPolarHBondContact CE-OE2 3.49Å; K106-E109 HydrophobicContact CG-CG 4.14Å; K106-E109 IonicContact NZ-OE1 3.7Å; K106-E109 PolarHBondContact NZ-OE1 2.92Å; K106-E109 IonicContact NZ-OE2 2.98Å; K106-E109 PolarHBondContact NZ-OE2 2.83Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.07Å
110T48.2Very low48.8Very low108 Ų108106.6 Ų106.666%0.66365%0.65SS**Hα-helixtrans-86.8-29.3175.510.20000112.8
111L45.6Very low49.8Very low124 Ų124102.8 Ų102.865%0.64964%0.635SS**Hα-helixtrans-86.3-20.8173.2-132.481.2000113.1G113 L114L111-G113 PolarHBondContact O-N 3.13Å; L111-G113 VanDerWaalsContact O-N 3.16Å; L111-L114 HydrophobicContact CD1-CD1 4.1Å; L111-L114 HydrophobicContact CG-CD1 4.35Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 2.99Å
112A46.1Very low50.5Low80 Ų80101.2 Ų101.266%0.66162%0.623SS**THydrogen-bonded Turntrans-66-9.8172.500000114G108G108-A112 WeakPolarHBondContact O-CB 3.33Å; G108-A112 PolarHBondContact O-N 3.2Å; G108-A112 VanDerWaalsContact O-N 3.11Å
113G47.4Very low51.9Low64 Ų6496.8 Ų96.866%0.6659%0.594SS**THydrogen-bonded Turntrans-83.6-16168.500000114.1L111 A115L111-G113 PolarHBondContact O-N 3.13Å; L111-G113 VanDerWaalsContact O-N 3.16Å; G113-A115 VanDerWaalsContact C-N 3.28Å; G113-A115 PolarHBondContact O-N 2.88Å
114L51.9Low53.3Low124 Ų12498.4 Ų98.465%0.64959%0.593SS**SBendtrans-92.366.3172.2-77.8154000108.2L111 V116L111-L114 HydrophobicContact CD1-CD1 4.1Å; L111-L114 HydrophobicContact CG-CD1 4.35Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 2.99Å; L114-V116 PolarHBondContact O-N 2.71Å
115A55.1Low54Low47 Ų4799.8 Ų99.839%0.38859%0.587SS.*  trans-63.7104.6169.800000108.1G113 Y117G113-A115 VanDerWaalsContact C-N 3.28Å; G113-A115 PolarHBondContact O-N 2.88Å; A115-Y117 HydrophobicContact CB-CD1 4.45Å; A115-Y117 HydrophobicContact CB-CD2 4.21Å; A115-Y117 HydrophobicContact CB-CE1 3.8Å; A115-Y117 HydrophobicContact CB-CE2 3.52Å; A115-Y117 WeakPolarHBondContact CB-OH 3.39Å; A115-Y117 WeakPolarHBondContact O-CD2 3.38Å; A115-Y117 VanDerWaalsContact O-CE2 3.29Å; A115-Y117 WeakPolarHBondContact O-CE2 3.5Å; A115-Y117 PolarHBondContact O-N 3.35Å
116V55Low55.1Low142 Ų14296.5 Ų96.586%0.86157%0.565SS**  trans-79.2101.1167.8-179.50000106.1L114L114-V116 PolarHBondContact O-N 2.71Å
117Y58.2Low55.5Low73 Ų7396.5 Ų96.529%0.28658%0.576SS.*  trans-77.9129.4176.4-58.1-79.5000108.9A115 S119 H122 D123 P124A115-Y117 HydrophobicContact CB-CD1 4.45Å; A115-Y117 HydrophobicContact CB-CD2 4.21Å; A115-Y117 HydrophobicContact CB-CE1 3.8Å; A115-Y117 HydrophobicContact CB-CE2 3.52Å; A115-Y117 WeakPolarHBondContact CB-OH 3.39Å; A115-Y117 WeakPolarHBondContact O-CD2 3.38Å; A115-Y117 VanDerWaalsContact O-CE2 3.29Å; A115-Y117 WeakPolarHBondContact O-CE2 3.5Å; A115-Y117 PolarHBondContact O-N 3.35Å; Y117-S119 PolarHBondContact O-N 3.08Å; Y117-S119 VanDerWaalsContact O-N 3.15Å; Y117-H122 VanDerWaalsContact CD1-C 3.46Å; Y117-H122 HydrophobicContact CD1-CB 4.12Å; Y117-H122 WeakPolarHBondContact CD1-O 3.48Å; Y117-H122 WeakPolarHBondContact CE1-O 3.35Å; Y117-D123 VanDerWaalsContact CD2-CA 3.46Å; Y117-D123 HydrophobicContact CD2-CB 3.36Å; Y117-D123 WeakPolarHBondContact CD2-OD1 3.16Å; Y117-D123 WeakPolarHBondContact CD2-OD2 3.43Å; Y117-D123 HydrophobicContact CE2-CB 3.95Å; Y117-D123 VanDerWaalsContact CE2-CG 3.42Å; Y117-D123 VanDerWaalsContact CE2-OD1 3.23Å; Y117-D123 WeakPolarHBondContact CE2-OD1 3.39Å; Y117-D123 HydrophobicContact CG-CB 3.7Å; Y117-P124 HydrophobicContact CE1-CG 4.4Å; Y117-P124 WeakPolarHBondContact OH-CD 3.44Å
118G57.3Low56.1Low86 Ų8693.3 Ų93.389%0.88756%0.559SS**SBendtrans-69-7.6-17800000114.7
119S56.4Low56.6Low50 Ų5096.8 Ų96.835%0.3556%0.559SS.*SBendtrans-157.8152.5173.852.90000109.5Y117 D121 H122Y117-S119 PolarHBondContact O-N 3.08Å; Y117-S119 VanDerWaalsContact O-N 3.15Å; S119-D121 PolarHBondContact O-N 3.03Å; S119-D121 VanDerWaalsContact O-N 3.09Å; S119-H122 PolarHBondContact O-N 3.22Å; S119-H122 PolarHBondContact OG-ND1 2.85Å
120N62.3Low56.9Low76 Ų7694.9 Ų94.941%0.40655%0.553SS.*G310 helixtrans-54.9-28.1178.2-80.518.1000113.1H122 D123 I126N120-H122 PolarHBondContact O-N 2.9Å; N120-D123 PolarHBondContact O-N 2.79Å; N120-I126 HydrophobicContact CB-CD1 4.16Å; N120-I126 HydrophobicContact CB-CG2 4.4Å; N120-I126 WeakPolarHBondContact OD1-CD1 3.33Å
121D63.4Low57.1Low96 Ų9693 Ų9351%0.51354%0.542SS..G310 helixtrans-63-27.3178.7-80.7-42.4000114.5S119S119-D121 PolarHBondContact O-N 3.03Å; S119-D121 VanDerWaalsContact O-N 3.09Å
122H62.3Low57.6Low129 Ų12990.6 Ų90.660%0.59753%0.529SS*.G310 helixtrans-96.9-6.2-174.5-67.375.5000112.5Y117 S119 N120 P124Y117-H122 VanDerWaalsContact CD1-C 3.46Å; Y117-H122 HydrophobicContact CD1-CB 4.12Å; Y117-H122 WeakPolarHBondContact CD1-O 3.48Å; Y117-H122 WeakPolarHBondContact CE1-O 3.35Å; S119-H122 PolarHBondContact O-N 3.22Å; S119-H122 PolarHBondContact OG-ND1 2.85Å; N120-H122 PolarHBondContact O-N 2.9Å; H122-P124 WeakPolarHBondContact O-CD 3.29Å
123D71.9Confident57.8Low35 Ų3592.9 Ų92.919%0.18753%0.526CS..  trans-88.5112.7-180-166.3-22.4000112Y117 N120 Y125 I126Y117-D123 VanDerWaalsContact CD2-CA 3.46Å; Y117-D123 HydrophobicContact CD2-CB 3.36Å; Y117-D123 WeakPolarHBondContact CD2-OD1 3.16Å; Y117-D123 WeakPolarHBondContact CD2-OD2 3.43Å; Y117-D123 HydrophobicContact CE2-CB 3.95Å; Y117-D123 VanDerWaalsContact CE2-CG 3.42Å; Y117-D123 VanDerWaalsContact CE2-OD1 3.23Å; Y117-D123 WeakPolarHBondContact CE2-OD1 3.39Å; Y117-D123 HydrophobicContact CG-CB 3.7Å; N120-D123 PolarHBondContact O-N 2.79Å; D123-Y125 PolarHBondContact O-N 3.12Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.26Å; D123-Y125 PolarHBondContact OD1-N 3.36Å; D123-I126 HydrophobicContact CB-CB 4.09Å; D123-I126 HydrophobicContact CB-CD1 3.89Å; D123-I126 HydrophobicContact CB-CG1 3.93Å; D123-I126 PolarHBondContact O-N 3.02Å
124P64.6Low58Low97 Ų9795.4 Ų95.463%0.6352%0.517SS*.THydrogen-bonded Turntrans-66.4-14.9176.7-16.431000114.5Y117 H122Y117-P124 HydrophobicContact CE1-CG 4.4Å; Y117-P124 WeakPolarHBondContact OH-CD 3.44Å; H122-P124 WeakPolarHBondContact O-CD 3.29Å
125Y62Low58.3Low192 Ų19294.4 Ų94.475%0.75351%0.508SS*.THydrogen-bonded Turntrans-97.6-13.8-179.5-61-74.8000113.2D123 T127D123-Y125 PolarHBondContact O-N 3.12Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.26Å; D123-Y125 PolarHBondContact OD1-N 3.36Å; Y125-T127 PolarHBondContact O-N 3.26Å
126I63Low58.6Low49 Ų4998.1 Ų98.125%0.25152%0.518SS..  trans-83.7103.3169.5-67177.7000108.3N120 D123 L128N120-I126 HydrophobicContact CB-CD1 4.16Å; N120-I126 HydrophobicContact CB-CG2 4.4Å; N120-I126 WeakPolarHBondContact OD1-CD1 3.33Å; D123-I126 HydrophobicContact CB-CB 4.09Å; D123-I126 HydrophobicContact CB-CD1 3.89Å; D123-I126 HydrophobicContact CB-CG1 3.93Å; D123-I126 PolarHBondContact O-N 3.02Å; I126-L128 WeakPolarHBondContact CG2-O 3.39Å; I126-L128 PolarHBondContact O-N 3.09Å
127T58.4Low59Low135 Ų13597.3 Ų97.383%0.82851%0.505SS*.SBendtrans-77.4-11.6178.554.50000113.3Y125Y125-T127 PolarHBondContact O-N 3.26Å
128L57.2Low59.4Low75 Ų7599.4 Ų99.439%0.39352%0.521SS..  trans-113.391.5178.4-77.4163000109.2I126 N130 Y134I126-L128 WeakPolarHBondContact CG2-O 3.39Å; I126-L128 PolarHBondContact O-N 3.09Å; L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 PolarHBondContact O-N 2.96Å; L128-Y134 HydrophobicContact CD1-CE2 3.67Å; L128-Y134 HydrophobicContact CD2-CE2 3.54Å; L128-Y134 HydrophobicContact CG-CE2 4.19Å
129K56Low60.1Low128 Ų12898.6 Ų98.656%0.55749%0.493SS*.SBendtrans-68.9-31.8-175.2-62.6-168.7174.4-160.20113
130N52.8Low61.1Low82 Ų82100 Ų10044%0.43950%0.495SS..  trans-120.9115.7172-85.39.3000109.5L128 D132L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 PolarHBondContact O-N 2.96Å; N130-D132 HydrophobicContact CB-CB 4.23Å; N130-D132 PolarHBondContact ND2-OD2 3.31Å
131T51.7Low62.1Low70 Ų7096.6 Ų96.643%0.42948%0.477SS..THydrogen-bonded Turntrans-70.9-16.5162.8-3.70000111.5Q133 Y134 E135T131-Q133 PolarHBondContact O-N 3.34Å; T131-Y134 PolarHBondContact O-N 2.87Å; T131-E135 PolarHBondContact O-N 2.76Å; T131-E135 VanDerWaalsContact O-N 3.17Å
132D56.1Low63Low72 Ų7296.3 Ų96.339%0.38547%0.471SS..Hα-helixtrans-53.3-28.6-179.8-51.4-8.7000114N130 Q136N130-D132 HydrophobicContact CB-CB 4.23Å; N130-D132 PolarHBondContact ND2-OD2 3.31Å; D132-Q136 VanDerWaalsContact O-CB 3.25Å; D132-Q136 WeakPolarHBondContact O-CB 3.18Å; D132-Q136 WeakPolarHBondContact O-CG 3.01Å; D132-Q136 PolarHBondContact O-N 3.05Å
133Q51.2Low63.9Low128 Ų12894 Ų9460%0.59847%0.469SS*.Hα-helixtrans-69-41.1177.3-78.4-177.9-0.300112.1T131 Q136 E137T131-Q133 PolarHBondContact O-N 3.34Å; Q133-Q136 PolarHBondContact O-N 2.84Å; Q133-E137 WeakPolarHBondContact O-CG 3.42Å; Q133-E137 PolarHBondContact O-N 3.09Å
134Y51.8Low64.5Low118 Ų11894.3 Ų94.346%0.46347%0.473SS..Hα-helixtrans-70.9-39.1175.7-66.1-70.1000111L128 T131 Q136 E137 D138L128-Y134 HydrophobicContact CD1-CE2 3.67Å; L128-Y134 HydrophobicContact CD2-CE2 3.54Å; L128-Y134 HydrophobicContact CG-CE2 4.19Å; T131-Y134 PolarHBondContact O-N 2.87Å; Y134-Q136 VanDerWaalsContact C-N 3.32Å; Y134-Q136 PolarHBondContact O-N 2.92Å; Y134-E137 PolarHBondContact O-N 3.25Å; Y134-D138 PolarHBondContact O-N 3.39Å
135E58.9Low65.6Low102 Ų10290 Ų9048%0.47744%0.444SS..Hα-helixtrans-61.6-42.4173.6-64.8-179.3-173.800110.8T131 E137 D138 F139T131-E135 PolarHBondContact O-N 2.76Å; T131-E135 VanDerWaalsContact O-N 3.17Å; E135-E137 PolarHBondContact O-N 3.43Å; E135-D138 PolarHBondContact O-N 3.2Å; E135-F139 WeakPolarHBondContact O-CD2 3.25Å; E135-F139 PolarHBondContact O-N 2.78Å; E135-F139 VanDerWaalsContact O-N 3.11Å
136Q61.1Low67Low125 Ų12580.9 Ų80.958%0.58441%0.409SS*.Hα-helixtrans-64-36.1176-79.8167.911.300113.5D132 Q133 Y134 M140D132-Q136 VanDerWaalsContact O-CB 3.25Å; D132-Q136 WeakPolarHBondContact O-CB 3.18Å; D132-Q136 WeakPolarHBondContact O-CG 3.01Å; D132-Q136 PolarHBondContact O-N 3.05Å; Q133-Q136 PolarHBondContact O-N 2.84Å; Y134-Q136 VanDerWaalsContact C-N 3.32Å; Y134-Q136 PolarHBondContact O-N 2.92Å; Q136-M140 PolarHBondContact O-N 2.91Å
137E62Low68.4Low126 Ų12678.7 Ų78.759%0.58940%0.397SS*.Hα-helixtrans-67.9-38.4175-74.8-179.217800112Q133 Y134 E135 F139 M140Q133-E137 WeakPolarHBondContact O-CG 3.42Å; Q133-E137 PolarHBondContact O-N 3.09Å; Y134-E137 PolarHBondContact O-N 3.25Å; E135-E137 PolarHBondContact O-N 3.43Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-F139 PolarHBondContact O-N 3.44Å; E137-M140 WeakPolarHBondContact O-CB 3.36Å; E137-M140 PolarHBondContact O-N 3.2Å
138D66.6Low70.1Confident117 Ų11772.3 Ų72.363%0.62636%0.358SS*.Hα-helixtrans-70.8-28.7178.9-72.9-14.9000113.1Y134 E135 M140Y134-D138 PolarHBondContact O-N 3.39Å; E135-D138 PolarHBondContact O-N 3.2Å; D138-M140 VanDerWaalsContact C-N 3.32Å
139F72.9Confident71.8Confident68 Ų6868.7 Ų68.730%0.29834%0.339SS..THydrogen-bonded Turntrans-86.94173.4-76.4-70.5000113.6E135 E137 H175E135-F139 WeakPolarHBondContact O-CD2 3.25Å; E135-F139 PolarHBondContact O-N 2.78Å; E135-F139 VanDerWaalsContact O-N 3.11Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-F139 PolarHBondContact O-N 3.44Å; F139-H175 AromaticContact CD1-CE1 3.66Å; F139-H175 AromaticContact CD1-NE2 3.92Å; F139-H175 PolarHBondContact O-NE2 2.84Å
140M78.2Confident73.6Confident79 Ų7962.6 Ų62.639%0.38931%0.313SS..  trans-86.6123.6179.2-164.7180-52.100110.4E18 Q136 E137 D138E18-M140 WeakPolarHBondContact O-CA 3.13Å; E18-M140 WeakPolarHBondContact O-CG 3.47Å; Q136-M140 PolarHBondContact O-N 2.91Å; E137-M140 WeakPolarHBondContact O-CB 3.36Å; E137-M140 PolarHBondContact O-N 3.2Å; D138-M140 VanDerWaalsContact C-N 3.32Å
141I82.3Confident75.6Confident6 Ų658.7 Ų58.73%0.03129%0.292CS..  trans-90115175-58.6171.3000107.7A16 E18 P20 D145 L147 V164A16-I141 HydrophobicContact CB-CD1 4.2Å; A16-I141 HydrophobicContact CB-CG2 4.18Å; E18-I141 WeakPolarHBondContact CA-O 3.44Å; E18-I141 PolarHBondContact O-N 3.44Å; P20-I141 HydrophobicContact CG-CD1 3.75Å; P20-I141 HydrophobicContact CG-CG1 4.41Å; I141-D145 HydrophobicContact CG2-CB 4.21Å; I141-L147 HydrophobicContact CD1-CD1 4.49Å; I141-L147 HydrophobicContact CD1-CD2 4.16Å; I141-L147 HydrophobicContact CG2-CD2 4.21Å; I141-V164 HydrophobicContact CG1-CG2 4.41Å
142K82.8Confident77.5Confident90 Ų9058.7 Ų58.739%0.39128%0.284SS..  trans-73.4151.9178.4-55.3170-178.7166.40109.5T144 D145 E169K142-T144 PolarHBondContact O-N 3.45Å; K142-T144 VanDerWaalsContact O-N 3.08Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.4Å; K142-D145 PolarHBondContact N-OD2 3.13Å; K142-D145 VanDerWaalsContact O-CB 3.32Å; K142-D145 WeakPolarHBondContact O-CB 3.35Å; K142-D145 PolarHBondContact O-N 2.96Å; K142-E169 VanDerWaalsContact NZ-CD 3.32Å; K142-E169 IonicContact NZ-OE1 2.69Å; K142-E169 PolarHBondContact NZ-OE1 3.38Å; K142-E169 IonicContact NZ-OE2 2.82Å; K142-E169 PolarHBondContact NZ-OE2 3.1Å
143S81.3Confident79.2Confident79 Ų7956 Ų5655%0.55227%0.27SS*.THydrogen-bonded Turntrans-61-22175.366.40000113.8G14 D145G14-S143 PolarHBondContact N-O 2.87Å; S143-D145 VanDerWaalsContact C-N 3.3Å
144T84.3Confident80.9Confident43 Ų4351.5 Ų51.526%0.26425%0.25SS..THydrogen-bonded Turntrans-79.4-12.1175.150.60000113.1R13 K142R13-T144 WeakPolarHBondContact CD-O 3.47Å; R13-T144 PolarHBondContact NE-O 3.11Å; R13-T144 PolarHBondContact NH2-O 2.87Å; K142-T144 PolarHBondContact O-N 3.45Å; K142-T144 VanDerWaalsContact O-N 3.08Å
145D87.1Confident82.4Confident7 Ų753.5 Ų53.54%0.03726%0.261CS..PPolyproline II helixtrans-84.7143.9-172.2-61-18.1000111R13 I141 K142 S143 V164 N166R13-D145 WeakPolarHBondContact CA-O 3.36Å; I141-D145 HydrophobicContact CG2-CB 4.21Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.4Å; K142-D145 PolarHBondContact N-OD2 3.13Å; K142-D145 VanDerWaalsContact O-CB 3.32Å; K142-D145 WeakPolarHBondContact O-CB 3.35Å; K142-D145 PolarHBondContact O-N 2.96Å; S143-D145 VanDerWaalsContact C-N 3.3Å; D145-V164 HydrophobicContact CB-CG1 3.86Å; D145-N166 WeakPolarHBondContact OD1-CB 3.18Å; D145-N166 PolarHBondContact OD1-ND2 3.26Å
146N91.1Very high83.6Confident0 Ų056 Ų560%028%0.278CS..EExtended strand (participates in β ladder)trans-98.6145.6168.3-77.1103000108.8W10 V11 R13 Y165 D441W10-N146 HydrophobicContact CE3-CB 4.03Å; W10-N146 HydrophobicContact CZ3-CB 3.82Å; V11-N146 PolarHBondContact O-ND2 2.87Å; R13-N146 WeakPolarHBondContact CG-ND2 3.07Å; R13-N146 WeakPolarHBondContact CG-OD1 3.36Å; R13-N146 PolarHBondContact NE-OD1 3.49Å; N146-Y165 HydrophobicContact CB-CD1 4.39Å; N146-Y165 PolarHBondContact N-O 2.81Å; N146-Y165 PolarHBondContact O-N 3.48Å; N146-D441 PolarHBondContact ND2-OD2 3.05Å
147L92.1Very high84.9Confident3 Ų355.1 Ų55.12%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-99142.1166.7-49175.5000110.4V11 A16 I141 V162 H163 V164V11-L147 HydrophobicContact CB-CB 3.84Å; V11-L147 HydrophobicContact CB-CG 4.44Å; V11-L147 HydrophobicContact CG2-CB 3.93Å; V11-L147 PolarHBondContact N-O 2.82Å; A16-L147 HydrophobicContact CB-CD1 3.65Å; A16-L147 HydrophobicContact CB-CG 4.4Å; I141-L147 HydrophobicContact CD1-CD1 4.49Å; I141-L147 HydrophobicContact CD1-CD2 4.16Å; I141-L147 HydrophobicContact CG2-CD2 4.21Å; L147-V162 HydrophobicContact CB-CG1 4.41Å; L147-V162 HydrophobicContact CD1-CG1 4.27Å; L147-V162 HydrophobicContact CD2-CG1 4.43Å; L147-H163 CarbonylContact C-O 3.51Å; L147-H163 VanDerWaalsContact CA-O 3.27Å; L147-H163 WeakPolarHBondContact CA-O 3.14Å; L147-V164 HydrophobicContact CD2-CB 4.5Å; L147-V164 HydrophobicContact CD2-CG2 3.62Å
148V94.2Very high86.3Confident0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-120.3119.1171.1-167.10000108W10 H163 A447 L455 I457W10-V148 HydrophobicContact CD2-CG2 3.88Å; W10-V148 HydrophobicContact CE3-CG2 3.5Å; W10-V148 VanDerWaalsContact CE3-CG2 3.5Å; W10-V148 HydrophobicContact CH2-CG2 3.49Å; W10-V148 VanDerWaalsContact CH2-CG2 3.49Å; W10-V148 HydrophobicContact CZ2-CG2 3.88Å; W10-V148 HydrophobicContact CZ3-CG2 3.28Å; V148-H163 HydrophobicContact CB-CB 4.27Å; V148-H163 PolarHBondContact N-O 2.86Å; V148-H163 PolarHBondContact O-N 2.86Å; V148-A447 HydrophobicContact CG1-CB 4.1Å; V148-L455 HydrophobicContact CB-CD2 4.32Å; V148-L455 HydrophobicContact CG1-CD2 3.68Å; V148-I457 HydrophobicContact CG2-CD1 4.04Å
149L94.1Very high87.5Confident0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-94133.5177.2-51.2174.9000107.7A8 A9 V11 L160 V162 V187 V204 L218A8-L149 CarbonylContact C-O 3.53Å; A8-L149 WeakPolarHBondContact CA-O 3.34Å; A9-L149 HydrophobicContact CB-CB 4.48Å; A9-L149 PolarHBondContact N-O 2.69Å; A9-L149 PolarHBondContact O-N 2.82Å; V11-L149 HydrophobicContact CG2-CD1 3.95Å; V11-L149 HydrophobicContact CG2-CD2 4.46Å; V11-L149 HydrophobicContact CG2-CG 4.09Å; L149-L160 HydrophobicContact CB-CD1 4.41Å; L149-V162 HydrophobicContact CD2-CB 4.23Å; L149-V162 HydrophobicContact CD2-CG1 3.92Å; L149-V162 HydrophobicContact CD2-CG2 3.76Å; L149-V187 HydrophobicContact CB-CG1 4Å; L149-V187 HydrophobicContact CD1-CG1 4.05Å; L149-V204 HydrophobicContact CD1-CB 4.04Å; L149-V204 HydrophobicContact CD1-CG2 3.64Å; L149-L218 HydrophobicContact CD1-CD1 3.79Å; L149-L218 HydrophobicContact CD1-CD2 4.36Å; L149-L218 HydrophobicContact CD2-CD1 3.9Å; L149-L218 HydrophobicContact CD2-CD2 3.56Å; L149-L218 HydrophobicContact CD2-CG 4.4Å; L149-L218 HydrophobicContact CG-CD1 4.43Å
150C94.1Very high88.5Confident0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-139.1134.2170.261.20000113.2V5 C7 R152 E161 H163 L455V5-C150 HydrophobicContact CG1-CB 3.75Å; C7-C150 WeakPolarHBondContact O-CA 3.45Å; C150-R152 PolarHBondContact O-N 2.84Å; C150-E161 PolarHBondContact N-O 2.82Å; C150-E161 PolarHBondContact O-N 3.08Å; C150-H163 VanDerWaalsContact SG-CD2 3.59Å; C150-H163 PolarHBondContact SG-NE2 3.02Å; C150-L455 HydrophobicContact CB-CB 4.48Å; C150-L455 HydrophobicContact CB-CD1 4.26Å; C150-L455 HydrophobicContact CB-CD2 3.9Å; C150-L455 HydrophobicContact CB-CG 4.44Å
151G93.6Very high89.2Confident0 Ų038.5 Ų38.50%019%0.191CC..EExtended strand (participates in β ladder)trans-78.6111.4169.500000109.6V5 T6 C7V5-G151 WeakPolarHBondContact CA-O 3.18Å; T6-G151 PolarHBondContact N-O 2.87Å; T6-G151 PolarHBondContact OG1-O 2.99Å; C7-G151 PolarHBondContact O-N 3.46Å
152R92.1Very high89.7Confident69 Ų6938.2 Ų38.226%0.2619%0.189SC..EExtended strand (participates in β ladder)trans-103.7140.2176.4-177.5176.5179.1154.52.6110.2C3 C150 D154 S159 E161C3-R152 HydrophobicContact CB-CG 4.46Å; C3-R152 PolarHBondContact SG-NH2 2.81Å; C150-R152 PolarHBondContact O-N 2.84Å; R152-D154 IonicContact NE-OD1 3.35Å; R152-D154 PolarHBondContact NE-OD1 3.44Å; R152-D154 IonicContact NE-OD2 3.62Å; R152-D154 PolarHBondContact NE-OD2 3.29Å; R152-D154 IonicContact NH2-OD1 3.1Å; R152-S159 PolarHBondContact N-O 2.83Å; R152-S159 PolarHBondContact O-N 3.18Å; R152-S159 VanDerWaalsContact O-O 3.11Å; R152-E161 HydrophobicContact CB-CG 4.38Å; R152-E161 WeakPolarHBondContact CD-OE1 3.32Å; R152-E161 IonicContact CZ-OE1 3.46Å; R152-E161 IonicContact NE-OE1 3.97Å; R152-E161 IonicContact NH1-OE1 3.05Å; R152-E161 PolarHBondContact NH1-OE1 3.25Å; R152-E161 IonicContact NH1-OE2 2.75Å
153V91.1Very high90.2Very high17 Ų1734.5 Ų34.510%0.10317%0.173CC..EExtended strand (participates in β ladder)trans-121.4116.4175.4-178.50000109.4P4 T6 Y183 P184P4-V153 VanDerWaalsContact CD-O 3.28Å; P4-V153 WeakPolarHBondContact CD-O 3.27Å; P4-V153 HydrophobicContact CG-CB 4.34Å; P4-V153 PolarHBondContact O-N 2.91Å; P4-V153 VanDerWaalsContact O-N 3.1Å; T6-V153 HydrophobicContact CG2-CG2 3.82Å; V153-Y183 HydrophobicContact CB-CD2 4.19Å; V153-Y183 HydrophobicContact CB-CE2 3.89Å; V153-Y183 HydrophobicContact CG1-CD2 3.68Å; V153-Y183 HydrophobicContact CG1-CE2 3.6Å; V153-Y183 HydrophobicContact CG2-CD1 4.4Å; V153-Y183 HydrophobicContact CG2-CD2 3.59Å; V153-Y183 HydrophobicContact CG2-CE1 4.31Å; V153-Y183 HydrophobicContact CG2-CE2 3.51Å; V153-Y183 HydrophobicContact CG2-CG 4.05Å; V153-P184 HydrophobicContact CG2-CG 4.29Å
154D87.6Confident90.6Very high33 Ų3330.8 Ų30.818%0.17615%0.147CC..  trans-99.8176.6169.7-75.6-38.6000110.3C3 R152 D156 Y157C3-D154 WeakPolarHBondContact CB-OD1 3.23Å; C3-D154 PolarHBondContact SG-OD1 2.84Å; R152-D154 IonicContact NE-OD1 3.35Å; R152-D154 PolarHBondContact NE-OD1 3.44Å; R152-D154 IonicContact NE-OD2 3.62Å; R152-D154 PolarHBondContact NE-OD2 3.29Å; R152-D154 IonicContact NH2-OD1 3.1Å; D154-D156 VanDerWaalsContact C-N 3.26Å; D154-D156 PolarHBondContact O-N 2.78Å; D154-Y157 CarbonylContact C-O 3.55Å; D154-Y157 HydrophobicContact CB-CE1 4.41Å; D154-Y157 PolarHBondContact N-O 3.11Å
155K83.2Confident91Very high159 Ų15929.1 Ų29.169%0.69114%0.136SC*.SBendtrans-65.8-32.7-177.4-69.4-179.9178.2176.50112.8M1M1-K155 HydrophobicContact SD-CD 4.39Å
156D83.8Confident91Very high156 Ų15629 Ų2983%0.83414%0.135SC*.SBendtrans-111.3-24.5-167.2-56.5-44000112.6D154D154-D156 VanDerWaalsContact C-N 3.26Å; D154-D156 PolarHBondContact O-N 2.78Å
157Y88.5Confident90.7Very high106 Ų10631.9 Ų31.942%0.41615%0.149SC..  trans-149.8164.4178.266.5-84.3000111.7D154D154-Y157 CarbonylContact C-O 3.55Å; D154-Y157 HydrophobicContact CB-CE1 4.41Å; D154-Y157 PolarHBondContact N-O 3.11Å
158C91.6Very high90.3Very high20 Ų2038.7 Ų38.714%0.13518%0.18CC..EExtended strand (participates in β ladder)trans-112140.5171.9-60.10000108.1L180C158-L180 HydrophobicContact CB-CB 4.33Å; C158-L180 PolarHBondContact O-N 3.31Å
159S92.5Very high89.7Confident1 Ų144.4 Ų44.41%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-136153.117857.40000111.5R152 I178R152-S159 PolarHBondContact N-O 2.83Å; R152-S159 PolarHBondContact O-N 3.18Å; R152-S159 VanDerWaalsContact O-O 3.11Å; S159-I178 CarbonylContact C-O 3.59Å; S159-I178 VanDerWaalsContact CA-O 3.24Å; S159-I178 WeakPolarHBondContact CA-O 3.31Å
160L93.3Very high89.2Confident0 Ų050.7 Ų50.70%024%0.241CC..EExtended strand (participates in β ladder)trans-100.6107.7164.6-179.369.9000107L149 D177 I178 L180 V187 V204 V206L149-L160 HydrophobicContact CB-CD1 4.41Å; L160-D177 CarbonylContact O-C 3.53Å; L160-D177 WeakPolarHBondContact O-CA 3.43Å; L160-I178 HydrophobicContact CB-CB 4.32Å; L160-I178 PolarHBondContact N-O 3.33Å; L160-I178 PolarHBondContact O-N 2.75Å; L160-L180 HydrophobicContact CB-CD1 4Å; L160-L180 HydrophobicContact CB-CD2 4.26Å; L160-L180 HydrophobicContact CB-CG 4.13Å; L160-V187 HydrophobicContact CD1-CG1 4.26Å; L160-V187 HydrophobicContact CD1-CG2 3.78Å; L160-V204 HydrophobicContact CD2-CG1 3.83Å; L160-V204 HydrophobicContact CD2-CG2 4.46Å; L160-V206 HydrophobicContact CD2-CG2 3.98Å
161E93.2Very high88.9Confident20 Ų2052.6 Ų52.69%0.09325%0.254CS..EExtended strand (participates in β ladder)trans-87.6133175.1-62179165.900109.7C150 R152 H163 D177C150-E161 PolarHBondContact N-O 2.82Å; C150-E161 PolarHBondContact O-N 3.08Å; R152-E161 HydrophobicContact CB-CG 4.38Å; R152-E161 WeakPolarHBondContact CD-OE1 3.32Å; R152-E161 IonicContact CZ-OE1 3.46Å; R152-E161 IonicContact NE-OE1 3.97Å; R152-E161 IonicContact NH1-OE1 3.05Å; R152-E161 PolarHBondContact NH1-OE1 3.25Å; R152-E161 IonicContact NH1-OE2 2.75Å; E161-H163 IonicContact OE2-CD2 2.76Å; E161-H163 IonicContact OE2-CE1 2.71Å; E161-H163 IonicContact OE2-NE2 2.84Å; E161-H163 PolarHBondContact OE2-NE2 3.37Å; E161-D177 HydrophobicContact CG-CB 4.18Å
162V92.6Very high88.7Confident0 Ų056.2 Ų56.20%027%0.27CS..EExtended strand (participates in β ladder)trans-104.3108.4173.1-175.50000107.9L147 L149 H175 H176 L218L147-V162 HydrophobicContact CB-CG1 4.41Å; L147-V162 HydrophobicContact CD1-CG1 4.27Å; L147-V162 HydrophobicContact CD2-CG1 4.43Å; L149-V162 HydrophobicContact CD2-CB 4.23Å; L149-V162 HydrophobicContact CD2-CG1 3.92Å; L149-V162 HydrophobicContact CD2-CG2 3.76Å; V162-H175 PolarHBondContact O-N 3.28Å; V162-H176 WeakPolarHBondContact CG2-NE2 2.97Å; V162-H176 PolarHBondContact N-O 3.39Å; V162-H176 PolarHBondContact O-N 2.9Å; V162-L218 HydrophobicContact CG2-CD2 3.84Å
163H92.2Very high88.6Confident12 Ų1256.8 Ų56.86%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-98142.7178.2-66.9-109.2000111L147 V148 C150 E161 F172 Y173 V174L147-H163 CarbonylContact C-O 3.51Å; L147-H163 VanDerWaalsContact CA-O 3.27Å; L147-H163 WeakPolarHBondContact CA-O 3.14Å; V148-H163 HydrophobicContact CB-CB 4.27Å; V148-H163 PolarHBondContact N-O 2.86Å; V148-H163 PolarHBondContact O-N 2.86Å; C150-H163 VanDerWaalsContact SG-CD2 3.59Å; C150-H163 PolarHBondContact SG-NE2 3.02Å; E161-H163 IonicContact OE2-CD2 2.76Å; E161-H163 IonicContact OE2-CE1 2.71Å; E161-H163 IonicContact OE2-NE2 2.84Å; E161-H163 PolarHBondContact OE2-NE2 3.37Å; H163-F172 HydrophobicContact CB-CD2 4.2Å; H163-F172 HydrophobicContact CB-CE2 3.38Å; H163-F172 HydrophobicContact CB-CZ 3.89Å; H163-F172 AromaticContact CE1-CZ 3.93Å; H163-F172 AromaticContact CG-CE2 3.72Å; H163-F172 AromaticContact CG-CZ 3.67Å; H163-F172 AromaticContact ND1-CE1 3.8Å; H163-F172 AromaticContact ND1-CE2 3.62Å; H163-F172 AromaticContact ND1-CZ 3.25Å; H163-F172 WeakPolarHBondContact ND1-CZ 3.48Å; H163-Y173 CarbonylContact C-O 3.59Å; H163-Y173 VanDerWaalsContact CA-O 3.23Å; H163-Y173 WeakPolarHBondContact CA-O 3.49Å; H163-V174 WeakPolarHBondContact CE1-CG2 3.38Å
164V90.7Very high88.5Confident0 Ų059.3 Ų59.30%029%0.288CS..EExtended strand (participates in β ladder)trans-97.5127170.5172.40000108.3I141 D145 L147 F172 Y173 H175I141-V164 HydrophobicContact CG1-CG2 4.41Å; D145-V164 HydrophobicContact CB-CG1 3.86Å; L147-V164 HydrophobicContact CD2-CB 4.5Å; L147-V164 HydrophobicContact CD2-CG2 3.62Å; V164-F172 WeakPolarHBondContact O-CA 3.19Å; V164-Y173 HydrophobicContact CB-CD1 4.42Å; V164-Y173 HydrophobicContact CB-CE1 3.9Å; V164-Y173 HydrophobicContact CB-CE2 4.25Å; V164-Y173 HydrophobicContact CG1-CE1 3.86Å; V164-Y173 HydrophobicContact CG2-CE2 4.5Å; V164-Y173 PolarHBondContact N-O 2.68Å; V164-Y173 PolarHBondContact O-N 2.84Å; V164-H175 HydrophobicContact CG2-CB 3.73Å
165Y91.4Very high88.5Confident8 Ų858.3 Ų58.33%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-117.7115.3175.2178.4-110.3000110.5W10 N146 H167 F172 V445 I457W10-Y165 AromaticContact CH2-CD1 3.77Å; W10-Y165 HydrophobicContact CH2-CD1 3.77Å; W10-Y165 HydrophobicContact CH2-CE1 4.32Å; W10-Y165 HydrophobicContact CH2-CG 4.12Å; W10-Y165 AromaticContact CZ3-CD1 3.75Å; W10-Y165 HydrophobicContact CZ3-CD1 3.75Å; W10-Y165 HydrophobicContact CZ3-CG 4.19Å; N146-Y165 HydrophobicContact CB-CD1 4.39Å; N146-Y165 PolarHBondContact N-O 2.81Å; N146-Y165 PolarHBondContact O-N 3.48Å; Y165-H167 HydrophobicContact CE1-CB 3.88Å; Y165-H167 PolarHBondContact OH-ND1 2.88Å; Y165-H167 VanDerWaalsContact OH-ND1 3.08Å; Y165-F172 HydrophobicContact CD2-CB 4.28Å; Y165-F172 HydrophobicContact CD2-CD2 4.22Å; Y165-V445 HydrophobicContact CE1-CG1 3.85Å; Y165-V445 HydrophobicContact CE1-CG2 4.47Å; Y165-I457 HydrophobicContact CD1-CD1 4.5Å; Y165-I457 HydrophobicContact CD2-CD1 3.4Å; Y165-I457 HydrophobicContact CD2-CG2 4.37Å; Y165-I457 HydrophobicContact CE2-CD1 4.05Å; Y165-I457 HydrophobicContact CE2-CG2 3.96Å; Y165-I457 HydrophobicContact CG-CD1 3.67Å
166N87.8Confident88.8Confident4 Ų451.2 Ų51.22%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-109.5112.4171.9-171.5-42.6000109.8D145 E168 E169 D170 S171D145-N166 WeakPolarHBondContact OD1-CB 3.18Å; D145-N166 PolarHBondContact OD1-ND2 3.26Å; N166-E168 PolarHBondContact OD1-N 3.18Å; N166-E169 HydrophobicContact CB-CB 4.45Å; N166-E169 PolarHBondContact OD1-N 3.48Å; N166-E169 VanDerWaalsContact OD1-N 3.12Å; N166-D170 WeakPolarHBondContact O-CA 3.25Å; N166-D170 PolarHBondContact O-N 3.42Å; N166-S171 PolarHBondContact N-O 3.47Å; N166-S171 PolarHBondContact O-N 2.96Å
167H84.1Confident89.1Confident61 Ų6146.8 Ų46.828%0.28223%0.228SC..THydrogen-bonded Turntrans-71.4-29.1-178.7-175.570000114.2Y165 F442 D459Y165-H167 HydrophobicContact CE1-CB 3.88Å; Y165-H167 PolarHBondContact OH-ND1 2.88Å; Y165-H167 VanDerWaalsContact OH-ND1 3.08Å; H167-F442 HydrophobicContact CB-CD2 4.08Å; H167-F442 HydrophobicContact CB-CE1 4.1Å; H167-F442 HydrophobicContact CB-CE2 3.31Å; H167-F442 HydrophobicContact CB-CZ 3.31Å; H167-F442 AromaticContact CD2-CD1 3.85Å; H167-F442 AromaticContact CD2-CE1 3.29Å; H167-F442 WeakPolarHBondContact CD2-CE1 3.5Å; H167-F442 AromaticContact CD2-CZ 3.44Å; H167-F442 VanDerWaalsContact CD2-CZ 3.44Å; H167-F442 WeakPolarHBondContact CD2-CZ 3.33Å; H167-F442 AromaticContact CG-CE1 3.73Å; H167-F442 AromaticContact CG-CE2 3.72Å; H167-F442 AromaticContact CG-CZ 3.47Å; H167-F442 VanDerWaalsContact CG-CZ 3.47Å; H167-F442 AromaticContact NE2-CE1 3.9Å; H167-D459 IonicContact CE1-OD2 3.02Å
168E83.8Confident89.2Confident146 Ų14641.9 Ų41.968%0.68221%0.209SC*.THydrogen-bonded Turntrans-77-37-177.4-64.5-177.2-177.700111.5N166N166-E168 PolarHBondContact OD1-N 3.18Å
169E83.5Confident89.1Confident121 Ų12146.1 Ų46.157%0.56523%0.229SC*.THydrogen-bonded Turntrans-92.4-4.1179.1-64.3176178.900112.5K142 N166 S171K142-E169 VanDerWaalsContact NZ-CD 3.32Å; K142-E169 IonicContact NZ-OE1 2.69Å; K142-E169 PolarHBondContact NZ-OE1 3.38Å; K142-E169 IonicContact NZ-OE2 2.82Å; K142-E169 PolarHBondContact NZ-OE2 3.1Å; N166-E169 HydrophobicContact CB-CB 4.45Å; N166-E169 PolarHBondContact OD1-N 3.48Å; N166-E169 VanDerWaalsContact OD1-N 3.12Å; E169-S171 PolarHBondContact O-N 3.33Å
170D82.9Confident89Confident132 Ų13246.6 Ų46.671%0.70623%0.232SC*.THydrogen-bonded Turntrans47.836.9-169.6-160.132.4000112.4N166N166-D170 WeakPolarHBondContact O-CA 3.25Å; N166-D170 PolarHBondContact O-N 3.42Å
171S87.1Confident88.7Confident40 Ų4051 Ų5128%0.2826%0.26SS..EExtended strand (participates in β ladder)trans-94.5134.1-178.1-172.60000110.3N166 E169N166-S171 PolarHBondContact N-O 3.47Å; N166-S171 PolarHBondContact O-N 2.96Å; E169-S171 PolarHBondContact O-N 3.33Å
172F90.4Very high88.5Confident75 Ų7550.9 Ų50.933%0.32926%0.263SS..EExtended strand (participates in β ladder)trans-145.3114.9177.6179.7-117.5000109.9H163 V164 Y165 L455 I457H163-F172 HydrophobicContact CB-CD2 4.2Å; H163-F172 HydrophobicContact CB-CE2 3.38Å; H163-F172 HydrophobicContact CB-CZ 3.89Å; H163-F172 AromaticContact CE1-CZ 3.93Å; H163-F172 AromaticContact CG-CE2 3.72Å; H163-F172 AromaticContact CG-CZ 3.67Å; H163-F172 AromaticContact ND1-CE1 3.8Å; H163-F172 AromaticContact ND1-CE2 3.62Å; H163-F172 AromaticContact ND1-CZ 3.25Å; H163-F172 WeakPolarHBondContact ND1-CZ 3.48Å; V164-F172 WeakPolarHBondContact O-CA 3.19Å; Y165-F172 HydrophobicContact CD2-CB 4.28Å; Y165-F172 HydrophobicContact CD2-CD2 4.22Å; F172-L455 HydrophobicContact CE2-CD2 4.42Å; F172-L455 HydrophobicContact CZ-CD2 3.77Å; F172-L455 HydrophobicContact CZ-CG 4.28Å; F172-I457 HydrophobicContact CD2-CD1 3.28Å; F172-I457 HydrophobicContact CD2-CG1 4.29Å; F172-I457 HydrophobicContact CE2-CD1 3.26Å; F172-I457 HydrophobicContact CE2-CG1 4Å; F172-I457 HydrophobicContact CG-CD1 3.94Å; F172-I457 HydrophobicContact CZ-CD1 3.92Å; F172-I457 HydrophobicContact CZ-CG1 4.17Å
173Y88.7Confident88.4Confident82 Ų8255 Ų5532%0.32228%0.279SS..EExtended strand (participates in β ladder)trans-149.9157.3-177.563.9-83.1000112H163 V164H163-Y173 CarbonylContact C-O 3.59Å; H163-Y173 VanDerWaalsContact CA-O 3.23Å; H163-Y173 WeakPolarHBondContact CA-O 3.49Å; V164-Y173 HydrophobicContact CB-CD1 4.42Å; V164-Y173 HydrophobicContact CB-CE1 3.9Å; V164-Y173 HydrophobicContact CB-CE2 4.25Å; V164-Y173 HydrophobicContact CG1-CE1 3.86Å; V164-Y173 HydrophobicContact CG2-CE2 4.5Å; V164-Y173 PolarHBondContact N-O 2.68Å; V164-Y173 PolarHBondContact O-N 2.84Å
174V89.5Confident88.5Confident69 Ų6954.4 Ų54.442%0.41828%0.276SS..EExtended strand (participates in β ladder)trans-75.3121.9172.1-1780000108H163H163-V174 WeakPolarHBondContact CE1-CG2 3.38Å
175H88Confident88.6Confident12 Ų1256.3 Ų56.36%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-86.8-44.8174.7178.9-66.6000111.4F139 V162 V164F139-H175 AromaticContact CD1-CE1 3.66Å; F139-H175 AromaticContact CD1-NE2 3.92Å; F139-H175 PolarHBondContact O-NE2 2.84Å; V162-H175 PolarHBondContact O-N 3.28Å; V164-H175 HydrophobicContact CG2-CB 3.73Å
176H88.6Confident88.6Confident10 Ų1056.1 Ų56.15%0.04629%0.285CS..EExtended strand (participates in β ladder)trans-159.8162.4174.764.5-82000110.3V162 V221V162-H176 WeakPolarHBondContact CG2-NE2 2.97Å; V162-H176 PolarHBondContact N-O 3.39Å; V162-H176 PolarHBondContact O-N 2.9Å; H176-V221 HydrophobicContact CB-CG1 3.91Å; H176-V221 HydrophobicContact CB-CG2 4.32Å
177D90.8Very high89Confident64 Ų6456.4 Ų56.434%0.34229%0.288SS..EExtended strand (participates in β ladder)trans-126.5149173.567.9-39.9000111.3L160 E161L160-D177 CarbonylContact O-C 3.53Å; L160-D177 WeakPolarHBondContact O-CA 3.43Å; E161-D177 HydrophobicContact CG-CB 4.18Å
178I90.3Very high89.5Confident2 Ų255.7 Ų55.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-117.4122.2178.7-59.8172.8000107.4S159 L160 L180 W216S159-I178 CarbonylContact C-O 3.59Å; S159-I178 VanDerWaalsContact CA-O 3.24Å; S159-I178 WeakPolarHBondContact CA-O 3.31Å; L160-I178 HydrophobicContact CB-CB 4.32Å; L160-I178 PolarHBondContact N-O 3.33Å; L160-I178 PolarHBondContact O-N 2.75Å; I178-L180 PolarHBondContact O-N 2.86Å; I178-W216 HydrophobicContact CD1-CB 4.37Å; I178-W216 HydrophobicContact CG2-CD2 3.9Å; I178-W216 HydrophobicContact CG2-CE3 3.5Å; I178-W216 HydrophobicContact CG2-CH2 3.88Å; I178-W216 HydrophobicContact CG2-CZ2 4.27Å; I178-W216 HydrophobicContact CG2-CZ3 3.49Å; I178-W216 VanDerWaalsContact CG2-CZ3 3.49Å
179I90.9Very high89.9Confident110 Ų11050.5 Ų50.556%0.56426%0.259SS*.EExtended strand (participates in β ladder)trans-74.1123.1179.1-58.2174.6000109
180L89.9Confident90.2Very high11 Ų1144.8 Ų44.86%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-96.3145.7-178.8-64.1179.2000111.5C158 L160 I178 A182 P184 V206 W216C158-L180 HydrophobicContact CB-CB 4.33Å; C158-L180 PolarHBondContact O-N 3.31Å; L160-L180 HydrophobicContact CB-CD1 4Å; L160-L180 HydrophobicContact CB-CD2 4.26Å; L160-L180 HydrophobicContact CB-CG 4.13Å; I178-L180 PolarHBondContact O-N 2.86Å; L180-A182 PolarHBondContact O-N 3.45Å; L180-P184 HydrophobicContact CD1-CB 3.69Å; L180-P184 HydrophobicContact CD1-CG 3.86Å; L180-V206 HydrophobicContact CD1-CG1 3.92Å; L180-V206 HydrophobicContact CD2-CG1 4.35Å; L180-W216 HydrophobicContact CD2-CZ2 3.98Å
181P85.8Confident90.3Very high93 Ų9340.4 Ų40.460%0.60421%0.208SC*.SBendtrans-72.5-16.3-179.429.8-36.4000113.6
182A88.9Confident89.9Confident17 Ų1739.2 Ų39.214%0.1420%0.198CC..SBendtrans-153.3168.7-175.900000111.2L180 P184 N208 T210L180-A182 PolarHBondContact O-N 3.45Å; A182-P184 WeakPolarHBondContact O-CD 3.38Å; A182-N208 HydrophobicContact CB-CB 4.06Å; A182-T210 HydrophobicContact CB-CG2 3.63Å
183Y91.6Very high89.2Confident86 Ų8636.7 Ų36.734%0.33719%0.188SC..  trans-59.9117.4179.4-168.7-76.7000111T6 V153 L185 N208 M209T6-Y183 HydrophobicContact CG2-CD1 4.4Å; T6-Y183 HydrophobicContact CG2-CE1 3.42Å; T6-Y183 VanDerWaalsContact CG2-CE1 3.42Å; T6-Y183 HydrophobicContact CG2-CE2 4.38Å; T6-Y183 WeakPolarHBondContact CG2-OH 3.13Å; V153-Y183 HydrophobicContact CB-CD2 4.19Å; V153-Y183 HydrophobicContact CB-CE2 3.89Å; V153-Y183 HydrophobicContact CG1-CD2 3.68Å; V153-Y183 HydrophobicContact CG1-CE2 3.6Å; V153-Y183 HydrophobicContact CG2-CD1 4.4Å; V153-Y183 HydrophobicContact CG2-CD2 3.59Å; V153-Y183 HydrophobicContact CG2-CE1 4.31Å; V153-Y183 HydrophobicContact CG2-CE2 3.51Å; V153-Y183 HydrophobicContact CG2-CG 4.05Å; Y183-L185 HydrophobicContact CD1-CD2 3.68Å; Y183-L185 HydrophobicContact CD1-CG 4.31Å; Y183-L185 HydrophobicContact CE1-CD2 3.76Å; Y183-N208 CarbonylContact O-C 3.58Å; Y183-N208 VanDerWaalsContact O-CA 3.23Å; Y183-N208 WeakPolarHBondContact O-CA 3.46Å; Y183-N208 WeakPolarHBondContact O-CB 3.3Å; Y183-M209 HydrophobicContact CD1-CG 4.27Å; Y183-M209 HydrophobicContact CG-CG 4.28Å; Y183-M209 PolarHBondContact O-N 2.97Å
184P93.5Very high88.1Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-73.1133.8177.328.8-33.4000110.3T6 V153 L180 A182 V206T6-P184 WeakPolarHBondContact CB-O 3.33Å; T6-P184 PolarHBondContact OG1-O 2.88Å; V153-P184 HydrophobicContact CG2-CG 4.29Å; L180-P184 HydrophobicContact CD1-CB 3.69Å; L180-P184 HydrophobicContact CD1-CG 3.86Å; A182-P184 WeakPolarHBondContact O-CD 3.38Å; P184-V206 HydrophobicContact CB-CG1 4.25Å
185L92.6Very high87.1Confident40 Ų4036.4 Ų36.421%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-113.3-35.2177.8-66.2176.5000111.9C7 Y183 G207 M209 A258 V259 L260C7-L185 WeakPolarHBondContact CB-O 3.32Å; Y183-L185 HydrophobicContact CD1-CD2 3.68Å; Y183-L185 HydrophobicContact CD1-CG 4.31Å; Y183-L185 HydrophobicContact CE1-CD2 3.76Å; L185-G207 PolarHBondContact N-O 2.82Å; L185-M209 HydrophobicContact CD1-CG 4.2Å; L185-M209 HydrophobicContact CD1-SD 3.67Å; L185-M209 HydrophobicContact CD2-CG 4.5Å; L185-M209 HydrophobicContact CD2-SD 4.13Å; L185-M209 HydrophobicContact CG-CG 4.33Å; L185-M209 HydrophobicContact CG-SD 4.21Å; L185-A258 HydrophobicContact CD1-CB 4.11Å; L185-V259 WeakPolarHBondContact CD1-O 3.46Å; L185-L260 HydrophobicContact CD1-CD2 3.66Å
186S93.1Very high85.7Confident3 Ų341.6 Ų41.62%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-143.8149.6178.451.60000111.4G207 L260 D261S186-G207 PolarHBondContact N-O 2.84Å; S186-G207 VanDerWaalsContact N-O 3.14Å; S186-G207 PolarHBondContact O-N 3.19Å; S186-L260 WeakPolarHBondContact CB-O 3.45Å; S186-L260 PolarHBondContact OG-O 3.04Å; S186-D261 WeakPolarHBondContact OG-CA 3.46Å
187V94.8Very high84.4Confident11 Ų1148.2 Ų48.27%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-138.3127.7179.1173.70000106.5C7 A9 L149 L160 V204 A205 V206C7-V187 HydrophobicContact CB-CG2 4.47Å; C7-V187 VanDerWaalsContact SG-CG2 3.52Å; A9-V187 HydrophobicContact CB-CB 4.49Å; A9-V187 HydrophobicContact CB-CG1 4.04Å; L149-V187 HydrophobicContact CB-CG1 4Å; L149-V187 HydrophobicContact CD1-CG1 4.05Å; L160-V187 HydrophobicContact CD1-CG1 4.26Å; L160-V187 HydrophobicContact CD1-CG2 3.78Å; V187-V204 HydrophobicContact CG1-CG2 3.33Å; V187-A205 WeakPolarHBondContact CA-O 3.39Å; V187-V206 HydrophobicContact CG2-CG2 4.44Å
188E94.3Very high82.8Confident46 Ų4651.3 Ų51.322%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-132.2128.9176.6-179.873.6158.500109.1A205 L262 W264E188-A205 PolarHBondContact N-O 2.83Å; E188-A205 PolarHBondContact O-N 2.96Å; E188-L262 HydrophobicContact CB-CB 3.91Å; E188-W264 HydrophobicContact CG-CB 3.87Å; E188-W264 PolarHBondContact OE1-N 2.99Å; E188-W264 VanDerWaalsContact OE1-N 3.11Å
189W93.5Very high81.3Confident37 Ų3756.3 Ų56.314%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-80.1138175.717279000110.7V11 V15 N191 N202 Y203 W264V11-W189 HydrophobicContact CG1-CD2 4.4Å; V11-W189 HydrophobicContact CG1-CG 4.34Å; V11-W189 HydrophobicContact CG2-CB 4.39Å; V11-W189 HydrophobicContact CG2-CG 4.01Å; V15-W189 HydrophobicContact CB-CZ2 4.34Å; V15-W189 HydrophobicContact CG1-CH2 4.44Å; V15-W189 HydrophobicContact CG1-CZ2 3.45Å; V15-W189 VanDerWaalsContact CG1-CZ2 3.45Å; V15-W189 HydrophobicContact CG2-CH2 4.39Å; V15-W189 HydrophobicContact CG2-CZ2 4.1Å; W189-N191 HydrophobicContact CH2-CB 3.61Å; W189-N191 HydrophobicContact CZ2-CB 3.7Å; W189-N191 HydrophobicContact CZ3-CB 4.41Å; W189-N202 PolarHBondContact NE1-OD1 3.03Å; W189-Y203 VanDerWaalsContact CD1-O 3.27Å; W189-W264 HydrophobicContact CZ3-CZ3 4.47Å
190L89.5Confident80.3Confident1 Ų154.3 Ų54.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-132.6141.417953.1127.6000112F192 Y203 A205 I215 W264L190-F192 HydrophobicContact CD1-CB 4.06Å; L190-Y203 VanDerWaalsContact CD1-CB 3.46Å; L190-Y203 HydrophobicContact CD1-CG 4.33Å; L190-Y203 PolarHBondContact N-O 2.9Å; L190-Y203 PolarHBondContact O-N 2.83Å; L190-Y203 VanDerWaalsContact O-N 3.08Å; L190-Y203 VanDerWaalsContact O-O 3.14Å; L190-A205 HydrophobicContact CD2-CB 3.43Å; L190-A205 VanDerWaalsContact CD2-CB 3.43Å; L190-I215 HydrophobicContact CD1-CG2 4.31Å; L190-W264 HydrophobicContact CB-CB 4.48Å; L190-W264 HydrophobicContact CB-CD2 3.99Å; L190-W264 HydrophobicContact CB-CG 3.93Å
191N85.3Confident79.7Confident39 Ų3954.3 Ų54.321%0.20931%0.309CS..  trans-106.568.1171.3-171-6.8000109.7W189 S200 G201 W264W189-N191 HydrophobicContact CH2-CB 3.61Å; W189-N191 HydrophobicContact CZ2-CB 3.7Å; W189-N191 HydrophobicContact CZ3-CB 4.41Å; N191-S200 WeakPolarHBondContact OD1-CA 3.33Å; N191-S200 WeakPolarHBondContact OD1-CB 3.34Å; N191-G201 WeakPolarHBondContact CA-O 3.47Å; N191-G201 PolarHBondContact OD1-N 2.9Å; N191-G201 PolarHBondContact OD1-O 2.9Å; N191-G201 VanDerWaalsContact OD1-O 3.09Å; N191-W264 HydrophobicContact CB-CH2 3.84Å; N191-W264 HydrophobicContact CB-CZ2 4.48Å; N191-W264 HydrophobicContact CB-CZ3 4.41Å
192F79Confident79.8Confident15 Ų1550 Ų507%0.06628%0.281CS..  trans-137.9118.1178.8172.5-94.5000109.1L190 P194 Y203 R269 N270 M286L190-F192 HydrophobicContact CD1-CB 4.06Å; F192-P194 HydrophobicContact CE1-CB 4.33Å; F192-P194 HydrophobicContact CE1-CG 4.15Å; F192-Y203 WeakPolarHBondContact O-CD2 3.33Å; F192-Y203 WeakPolarHBondContact O-CE2 3.35Å; F192-R269 HydrophobicContact CD2-CB 4.26Å; F192-R269 WeakPolarHBondContact CD2-O 3.5Å; F192-N270 HydrophobicContact CE2-CB 4.22Å; F192-N270 VanDerWaalsContact CE2-OD1 3.22Å; F192-N270 WeakPolarHBondContact CE2-OD1 3.5Å; F192-M286 HydrophobicContact CD1-CB 3.67Å; F192-M286 HydrophobicContact CD1-CG 4.37Å; F192-M286 HydrophobicContact CE1-CB 3.38Å; F192-M286 HydrophobicContact CE2-CB 4.33Å; F192-M286 HydrophobicContact CG-CB 4.26Å; F192-M286 HydrophobicContact CZ-CB 3.75Å
193D74.1Confident79.9Confident23 Ų2350.1 Ų50.112%0.12328%0.278CS..  trans-93.3127.6168.3-171.5-15000109.2N195 E198 Y203D193-N195 PolarHBondContact O-N 2.83Å; D193-N195 VanDerWaalsContact OD1-CB 3.25Å; D193-N195 WeakPolarHBondContact OD1-CB 3.36Å; D193-N195 PolarHBondContact OD1-N 3.16Å; D193-E198 WeakPolarHBondContact OD2-CB 3.45Å; D193-Y203 HydrophobicContact CB-CE2 4.11Å
194P66.3Low80Confident57 Ų5746 Ų4637%0.3726%0.262SS..SBendtrans-59.6-24.1169.4-21.832.5000114.3F192 F228F192-P194 HydrophobicContact CE1-CB 4.33Å; F192-P194 HydrophobicContact CE1-CG 4.15Å; P194-F228 HydrophobicContact CG-CD1 3.78Å; P194-F228 HydrophobicContact CG-CE1 3.35Å; P194-F228 HydrophobicContact CG-CZ 3.9Å
195N67.8Low80Confident88 Ų8846 Ų4647%0.47126%0.262SS..SBendtrans-83.8126.6-176.7-160.513.6000110.9D193 D197D193-N195 PolarHBondContact O-N 2.83Å; D193-N195 VanDerWaalsContact OD1-CB 3.25Å; D193-N195 WeakPolarHBondContact OD1-CB 3.36Å; D193-N195 PolarHBondContact OD1-N 3.16Å; N195-D197 PolarHBondContact O-N 3.31Å; N195-D197 VanDerWaalsContact O-N 3.12Å
196P60.1Low80.1Confident120 Ų12044.1 Ų44.178%0.77925%0.252SS*.THydrogen-bonded Turntrans-66.7-11.3-174.521.1-33.8000116.4
197D60.3Low80.1Confident150 Ų15044 Ų4480%0.80225%0.251SS*.THydrogen-bonded Turntrans-89.8-21.9-173.6-74.5-26000114.1N195N195-D197 PolarHBondContact O-N 3.31Å; N195-D197 VanDerWaalsContact O-N 3.12Å
198E58.1Low79.9Confident129 Ų12943.5 Ų43.560%0.60325%0.248SC*.  trans-112133.3177.2-73.6-170.4-179.600111.2D193D193-E198 WeakPolarHBondContact OD2-CB 3.45Å
199S57.9Low79.7Confident107 Ų10746.3 Ų46.375%0.74826%0.263SS*.SBendtrans-90.5-9.6-171.559.70000114.6
200S69.9Low79.6Confident68 Ų6845.9 Ų45.948%0.47626%0.264SS..  trans-155.2127.2-175.954.10000111.3N191N191-S200 WeakPolarHBondContact OD1-CA 3.33Å; N191-S200 WeakPolarHBondContact OD1-CB 3.34Å
201G77.6Confident79.5Confident11 Ų1146.8 Ų46.811%0.11327%0.27CS..  trans-133.5169.2175.900000111.3N191N191-G201 WeakPolarHBondContact CA-O 3.47Å; N191-G201 PolarHBondContact OD1-N 2.9Å; N191-G201 PolarHBondContact OD1-O 2.9Å; N191-G201 VanDerWaalsContact OD1-O 3.09Å
202N88Confident79.8Confident1 Ų145.6 Ų45.61%0.00526%0.264CS..  trans-111.382.9-177-172.326.2000110.3V15 A16 W189 L218 D219V15-N202 HydrophobicContact CG1-CB 4.14Å; A16-N202 WeakPolarHBondContact CA-ND2 3.23Å; W189-N202 PolarHBondContact NE1-OD1 3.03Å; N202-L218 WeakPolarHBondContact ND2-CB 3.4Å; N202-L218 WeakPolarHBondContact O-CB 3.23Å; N202-L218 PolarHBondContact O-N 2.99Å; N202-D219 WeakPolarHBondContact CB-OD2 3.43Å; N202-D219 PolarHBondContact ND2-OD1 3.4Å
203Y90.5Very high80.4Confident20 Ų2044.9 Ų44.98%0.07826%0.261CS..EExtended strand (participates in β ladder)trans-111.9159.6-175.3-66-81.2000111.9W189 L190 F192 D193 I215 W216 D217 V227W189-Y203 VanDerWaalsContact CD1-O 3.27Å; L190-Y203 VanDerWaalsContact CD1-CB 3.46Å; L190-Y203 HydrophobicContact CD1-CG 4.33Å; L190-Y203 PolarHBondContact N-O 2.9Å; L190-Y203 PolarHBondContact O-N 2.83Å; L190-Y203 VanDerWaalsContact O-N 3.08Å; L190-Y203 VanDerWaalsContact O-O 3.14Å; F192-Y203 WeakPolarHBondContact O-CD2 3.33Å; F192-Y203 WeakPolarHBondContact O-CE2 3.35Å; D193-Y203 HydrophobicContact CB-CE2 4.11Å; Y203-I215 HydrophobicContact CD1-CG2 4.24Å; Y203-I215 HydrophobicContact CG-CG2 4.47Å; Y203-W216 CarbonylContact C-O 3.52Å; Y203-W216 VanDerWaalsContact CA-O 3.32Å; Y203-W216 WeakPolarHBondContact CA-O 3.24Å; Y203-D217 HydrophobicContact CD1-CB 4.01Å; Y203-D217 HydrophobicContact CE1-CB 3.7Å; Y203-D217 VanDerWaalsContact CE1-OD2 3.31Å; Y203-D217 WeakPolarHBondContact CE1-OD2 3.44Å; Y203-D217 PolarHBondContact OH-OD2 3.07Å; Y203-V227 HydrophobicContact CE1-CG1 4.45Å; Y203-V227 HydrophobicContact CE1-CG2 4.1Å
204V92.9Very high81.3Confident0 Ų044.4 Ų44.40%026%0.259CS..EExtended strand (participates in β ladder)trans-131.5130.6174.263.50000110.5L149 L160 V187 V206 I215 W216 L218L149-V204 HydrophobicContact CD1-CB 4.04Å; L149-V204 HydrophobicContact CD1-CG2 3.64Å; L160-V204 HydrophobicContact CD2-CG1 3.83Å; L160-V204 HydrophobicContact CD2-CG2 4.46Å; V187-V204 HydrophobicContact CG1-CG2 3.33Å; V204-V206 HydrophobicContact CG1-CG2 4.45Å; V204-V206 HydrophobicContact CG2-CG2 4.27Å; V204-I215 CarbonylContact O-C 3.56Å; V204-I215 VanDerWaalsContact O-CA 3.28Å; V204-I215 WeakPolarHBondContact O-CA 3.23Å; V204-W216 HydrophobicContact CG1-CB 3.7Å; V204-W216 PolarHBondContact N-O 3.07Å; V204-W216 PolarHBondContact O-N 3.25Å; V204-L218 HydrophobicContact CB-CD1 4.12Å; V204-L218 HydrophobicContact CB-CD2 4.13Å; V204-L218 HydrophobicContact CB-CG 4.1Å; V204-L218 HydrophobicContact CG1-CD1 4.48Å; V204-L218 HydrophobicContact CG1-CD2 3.64Å; V204-L218 HydrophobicContact CG1-CG 3.93Å
205A93.9Very high82.5Confident0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-95.2126.3170.600000108.7V187 E188 L190 I213 I215 L262 L272V187-A205 WeakPolarHBondContact CA-O 3.39Å; E188-A205 PolarHBondContact N-O 2.83Å; E188-A205 PolarHBondContact O-N 2.96Å; L190-A205 HydrophobicContact CD2-CB 3.43Å; L190-A205 VanDerWaalsContact CD2-CB 3.43Å; A205-I213 HydrophobicContact CB-CG2 4.18Å; A205-I215 HydrophobicContact CB-CG1 3.93Å; A205-L262 HydrophobicContact CB-CD1 3.89Å; A205-L272 HydrophobicContact CB-CD2 4.07Å
206V94.7Very high83.6Confident0 Ų037.8 Ų37.80%022%0.219CC..EExtended strand (participates in β ladder)trans-112.6117.1-179.4-177.10000109L160 L180 P184 V187 V204 D214L160-V206 HydrophobicContact CD2-CG2 3.98Å; L180-V206 HydrophobicContact CD1-CG1 3.92Å; L180-V206 HydrophobicContact CD2-CG1 4.35Å; P184-V206 HydrophobicContact CB-CG1 4.25Å; V187-V206 HydrophobicContact CG2-CG2 4.44Å; V204-V206 HydrophobicContact CG1-CG2 4.45Å; V204-V206 HydrophobicContact CG2-CG2 4.27Å; V206-D214 PolarHBondContact N-O 3.14Å; V206-D214 PolarHBondContact O-N 2.75Å; V206-D214 VanDerWaalsContact O-N 3.14Å
207G93Very high84.9Confident0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-90.6125.717000000108.8L185 S186 L262L185-G207 PolarHBondContact N-O 2.82Å; S186-G207 PolarHBondContact N-O 2.84Å; S186-G207 VanDerWaalsContact N-O 3.14Å; S186-G207 PolarHBondContact O-N 3.19Å; G207-L262 VanDerWaalsContact N-CD1 3.26Å
208N91.6Very high86.2Confident1 Ų125.8 Ų25.81%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-125.1-179-176.863.335.6000111.4A182 Y183 T210 V212 D214 V259A182-N208 HydrophobicContact CB-CB 4.06Å; Y183-N208 CarbonylContact O-C 3.58Å; Y183-N208 VanDerWaalsContact O-CA 3.23Å; Y183-N208 WeakPolarHBondContact O-CA 3.46Å; Y183-N208 WeakPolarHBondContact O-CB 3.3Å; N208-T210 PolarHBondContact O-N 2.86Å; N208-T210 VanDerWaalsContact O-O 3.07Å; N208-T210 VanDerWaalsContact OD1-CA 3.31Å; N208-T210 WeakPolarHBondContact OD1-CA 3.45Å; N208-T210 WeakPolarHBondContact OD1-CB 3.5Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.41Å; N208-T210 PolarHBondContact OD1-N 2.85Å; N208-T210 PolarHBondContact OD1-O 3.43Å; N208-T210 PolarHBondContact OD1-OG1 2.75Å; N208-V212 PolarHBondContact OD1-O 2.61Å; N208-D214 PolarHBondContact ND2-OD2 3.21Å; N208-D214 VanDerWaalsContact ND2-OD2 3.17Å; N208-V259 PolarHBondContact O-N 3.48Å
209M89.9Confident87.4Confident106 Ų10620.8 Ų20.852%0.52213%0.126SC..SBendtrans-65.3-2.9176.3-74.9-69.5-68.200114.4Y183 L185 A258Y183-M209 HydrophobicContact CD1-CG 4.27Å; Y183-M209 HydrophobicContact CG-CG 4.28Å; Y183-M209 PolarHBondContact O-N 2.97Å; L185-M209 HydrophobicContact CD1-CG 4.2Å; L185-M209 HydrophobicContact CD1-SD 3.67Å; L185-M209 HydrophobicContact CD2-CG 4.5Å; L185-M209 HydrophobicContact CD2-SD 4.13Å; L185-M209 HydrophobicContact CG-CG 4.33Å; L185-M209 HydrophobicContact CG-SD 4.21Å; M209-A258 HydrophobicContact SD-CB 4.07Å
210T90.4Very high88.5Confident27 Ų2717.9 Ų17.917%0.16610%0.102CC..SBendtrans-96.9162.917488.40000110.1A182 N208 V212A182-T210 HydrophobicContact CB-CG2 3.63Å; N208-T210 PolarHBondContact O-N 2.86Å; N208-T210 VanDerWaalsContact O-O 3.07Å; N208-T210 VanDerWaalsContact OD1-CA 3.31Å; N208-T210 WeakPolarHBondContact OD1-CA 3.45Å; N208-T210 WeakPolarHBondContact OD1-CB 3.5Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.41Å; N208-T210 PolarHBondContact OD1-N 2.85Å; N208-T210 PolarHBondContact OD1-O 3.43Å; N208-T210 PolarHBondContact OD1-OG1 2.75Å; T210-V212 PolarHBondContact O-N 2.62Å; T210-V212 VanDerWaalsContact O-N 3.16Å; T210-V212 PolarHBondContact OG1-N 3.19Å
211P89.1Confident89.2Confident20 Ų2014.9 Ų14.913%0.138%0.08CC..SBendtrans-75.86.2177.431.1-35.5000114.2H255 D257P211-H255 HydrophobicContact CB-CB 4.03Å; P211-H255 WeakPolarHBondContact CB-O 3.28Å; P211-D257 WeakPolarHBondContact CA-O 3.49Å
212V90.3Very high89.2Confident15 Ų1518.8 Ų18.89%0.09110%0.099CC..  trans-105.8137.6-175.6-177.50000108.7N208 T210 L230 R233N208-V212 PolarHBondContact OD1-O 2.61Å; T210-V212 PolarHBondContact O-N 2.62Å; T210-V212 VanDerWaalsContact O-N 3.16Å; T210-V212 PolarHBondContact OG1-N 3.19Å; V212-L230 WeakPolarHBondContact CA-O 3.32Å; V212-R233 HydrophobicContact CG2-CB 4.09Å
213I92.3Very high88.9Confident0 Ų019.5 Ų19.50%010%0.104CC..EExtended strand (participates in β ladder)trans-101.9120.3173.7-55.8160.4000106.9A205 S229 L230 V259 L262 L272 S274 W284A205-I213 HydrophobicContact CB-CG2 4.18Å; I213-S229 CarbonylContact O-C 3.52Å; I213-S229 VanDerWaalsContact O-CA 3.31Å; I213-S229 WeakPolarHBondContact O-CA 3.49Å; I213-L230 HydrophobicContact CB-CB 4.21Å; I213-L230 PolarHBondContact N-O 3.16Å; I213-L230 PolarHBondContact O-N 2.99Å; I213-V259 HydrophobicContact CG1-CG1 4.19Å; I213-V259 HydrophobicContact CG1-CG2 3.93Å; I213-L262 HydrophobicContact CD1-CD2 3.79Å; I213-L262 HydrophobicContact CG1-CD2 4.11Å; I213-L262 HydrophobicContact CG2-CD1 3.88Å; I213-L262 HydrophobicContact CG2-CD2 4.1Å; I213-L272 HydrophobicContact CG2-CD2 4.37Å; I213-S274 VanDerWaalsContact CD1-CB 3.48Å; I213-W284 HydrophobicContact CD1-CZ2 4.31Å
214D92Very high88.2Confident13 Ų1323.9 Ų23.97%0.0713%0.128CC..EExtended strand (participates in β ladder)trans-100.6134.4-177.8-65.3-44.6000109.9V206 N208 P226 S229V206-D214 PolarHBondContact N-O 3.14Å; V206-D214 PolarHBondContact O-N 2.75Å; V206-D214 VanDerWaalsContact O-N 3.14Å; N208-D214 PolarHBondContact ND2-OD2 3.21Å; N208-D214 VanDerWaalsContact ND2-OD2 3.17Å; D214-P226 HydrophobicContact CB-CB 4.06Å; D214-P226 HydrophobicContact CB-CG 4.31Å; D214-S229 WeakPolarHBondContact OD1-CB 3.29Å; D214-S229 PolarHBondContact OD1-OG 3.09Å
215I91.7Very high87.8Confident0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-114.6123-179.5-65.8161.9000109.9L190 Y203 V204 A205 P226 V227 F228 L230 M286L190-I215 HydrophobicContact CD1-CG2 4.31Å; Y203-I215 HydrophobicContact CD1-CG2 4.24Å; Y203-I215 HydrophobicContact CG-CG2 4.47Å; V204-I215 CarbonylContact O-C 3.56Å; V204-I215 VanDerWaalsContact O-CA 3.28Å; V204-I215 WeakPolarHBondContact O-CA 3.23Å; A205-I215 HydrophobicContact CB-CG1 3.93Å; I215-P226 CarbonylContact O-C 3.58Å; I215-P226 WeakPolarHBondContact O-CA 3.46Å; I215-P226 WeakPolarHBondContact O-CB 2.91Å; I215-V227 PolarHBondContact O-N 3.39Å; I215-F228 HydrophobicContact CB-CD1 4.02Å; I215-F228 HydrophobicContact CB-CE1 3.77Å; I215-F228 HydrophobicContact CB-CE2 4.34Å; I215-F228 HydrophobicContact CB-CG 4.38Å; I215-F228 HydrophobicContact CB-CZ 3.97Å; I215-F228 WeakPolarHBondContact CB-O 3.13Å; I215-F228 HydrophobicContact CD1-CD2 3.87Å; I215-F228 HydrophobicContact CD1-CE1 3.99Å; I215-F228 HydrophobicContact CD1-CE2 3.2Å; I215-F228 HydrophobicContact CD1-CZ 3.26Å; I215-F228 HydrophobicContact CG1-CE1 4.49Å; I215-F228 HydrophobicContact CG1-CE2 4.33Å; I215-F228 HydrophobicContact CG1-CZ 4.19Å; I215-F228 HydrophobicContact CG2-CD1 4.02Å; I215-F228 HydrophobicContact CG2-CE1 3.4Å; I215-F228 HydrophobicContact CG2-CZ 3.78Å; I215-F228 PolarHBondContact N-O 2.95Å; I215-L230 HydrophobicContact CD1-CD1 4.13Å; I215-L230 HydrophobicContact CD1-CG 4.22Å; I215-M286 HydrophobicContact CD1-CE 3.07Å
216W91.3Very high87.5Confident5 Ų530.6 Ų30.62%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-114.2146.2-174.7-57.582.8000109.8I178 L180 Y203 V204 P226I178-W216 HydrophobicContact CD1-CB 4.37Å; I178-W216 HydrophobicContact CG2-CD2 3.9Å; I178-W216 HydrophobicContact CG2-CE3 3.5Å; I178-W216 HydrophobicContact CG2-CH2 3.88Å; I178-W216 HydrophobicContact CG2-CZ2 4.27Å; I178-W216 HydrophobicContact CG2-CZ3 3.49Å; I178-W216 VanDerWaalsContact CG2-CZ3 3.49Å; L180-W216 HydrophobicContact CD2-CZ2 3.98Å; Y203-W216 CarbonylContact C-O 3.52Å; Y203-W216 VanDerWaalsContact CA-O 3.32Å; Y203-W216 WeakPolarHBondContact CA-O 3.24Å; V204-W216 HydrophobicContact CG1-CB 3.7Å; V204-W216 PolarHBondContact N-O 3.07Å; V204-W216 PolarHBondContact O-N 3.25Å; W216-P226 HydrophobicContact CD2-CB 4.1Å; W216-P226 HydrophobicContact CE3-CB 4.43Å; W216-P226 HydrophobicContact CH2-CB 4.5Å; W216-P226 HydrophobicContact CZ2-CB 4.14Å; W216-P226 HydrophobicContact CZ2-CG 4.42Å
217D88.4Confident87Confident19 Ų1934.2 Ų34.210%0.10219%0.185CC..EExtended strand (participates in β ladder)trans-87125.8170.7-160-34.9000108.5Y203 D219 I220 V227Y203-D217 HydrophobicContact CD1-CB 4.01Å; Y203-D217 HydrophobicContact CE1-CB 3.7Å; Y203-D217 VanDerWaalsContact CE1-OD2 3.31Å; Y203-D217 WeakPolarHBondContact CE1-OD2 3.44Å; Y203-D217 PolarHBondContact OH-OD2 3.07Å; D217-D219 VanDerWaalsContact C-N 3.35Å; D217-D219 WeakPolarHBondContact OD1-CB 3.22Å; D217-D219 PolarHBondContact OD1-N 3.22Å; D217-I220 HydrophobicContact CB-CB 4.2Å; D217-I220 HydrophobicContact CB-CD1 3.79Å; D217-I220 HydrophobicContact CB-CG1 3.89Å; D217-V227 HydrophobicContact CB-CG2 3.83Å
218L85.8Confident86.6Confident0 Ų036 Ų360%019%0.193CC..THydrogen-bonded Turntrans-84.4-15178.9-66.3173.6000112.5V11 L149 V162 N202 V204V11-L218 HydrophobicContact CG2-CD1 4.03Å; L149-L218 HydrophobicContact CD1-CD1 3.79Å; L149-L218 HydrophobicContact CD1-CD2 4.36Å; L149-L218 HydrophobicContact CD2-CD1 3.9Å; L149-L218 HydrophobicContact CD2-CD2 3.56Å; L149-L218 HydrophobicContact CD2-CG 4.4Å; L149-L218 HydrophobicContact CG-CD1 4.43Å; V162-L218 HydrophobicContact CG2-CD2 3.84Å; N202-L218 WeakPolarHBondContact ND2-CB 3.4Å; N202-L218 WeakPolarHBondContact O-CB 3.23Å; N202-L218 PolarHBondContact O-N 2.99Å; V204-L218 HydrophobicContact CB-CD1 4.12Å; V204-L218 HydrophobicContact CB-CD2 4.13Å; V204-L218 HydrophobicContact CB-CG 4.1Å; V204-L218 HydrophobicContact CG1-CD1 4.48Å; V204-L218 HydrophobicContact CG1-CD2 3.64Å; V204-L218 HydrophobicContact CG1-CG 3.93Å
219D84.1Confident86.4Confident24 Ų2438.8 Ų38.813%0.12821%0.212CC..THydrogen-bonded Turntrans-86.30.9176.4-63.3-25.4000111.6A16 K17 P20 D21 N202 D217A16-D219 WeakPolarHBondContact CA-OD1 3.42Å; K17-D219 HydrophobicContact CB-CB 3.87Å; K17-D219 HydrophobicContact CD-CB 4.41Å; K17-D219 PolarHBondContact N-OD1 2.99Å; P20-D219 CarbonylContact C-O 3.43Å; P20-D219 WeakPolarHBondContact CA-O 3.42Å; P20-D219 WeakPolarHBondContact CB-O 3.32Å; D21-D219 PolarHBondContact N-O 3.37Å; N202-D219 WeakPolarHBondContact CB-OD2 3.43Å; N202-D219 PolarHBondContact ND2-OD1 3.4Å; D217-D219 VanDerWaalsContact C-N 3.35Å; D217-D219 WeakPolarHBondContact OD1-CB 3.22Å; D217-D219 PolarHBondContact OD1-N 3.22Å
220I81.9Confident86.1Confident46 Ų4633.8 Ų33.824%0.23619%0.187CC..EExtended strand (participates in β ladder)trans-113.4121.6176.7-58.5179.8000109.7D21 V23 D217D21-I220 WeakPolarHBondContact O-CA 2.92Å; V23-I220 HydrophobicContact CG2-CG2 3.3Å; D217-I220 HydrophobicContact CB-CB 4.2Å; D217-I220 HydrophobicContact CB-CD1 3.79Å; D217-I220 HydrophobicContact CB-CG1 3.89Å
221V83.1Confident85.6Confident4 Ų433.7 Ų33.72%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-93.7144.8176.8178.60000110P20 D21 K22 V23 H176 S223P20-V221 HydrophobicContact CB-CG2 3.57Å; P20-V221 HydrophobicContact CG-CG2 4.36Å; D21-V221 PolarHBondContact O-N 3.31Å; K22-V221 HydrophobicContact CG-CB 4.24Å; V23-V221 PolarHBondContact N-O 3.28Å; H176-V221 HydrophobicContact CB-CG1 3.91Å; H176-V221 HydrophobicContact CB-CG2 4.32Å; V221-S223 VanDerWaalsContact C-N 3.3Å; V221-S223 PolarHBondContact O-N 2.79Å
222D78.3Confident84.9Confident93 Ų9335 Ų3550%0.49720%0.202SC..THydrogen-bonded Turntrans61.232.2-178-57.9-34.7000114.2L224D222-L224 PolarHBondContact O-N 3Å
223S80.6Confident83.6Confident17 Ų1743.4 Ų43.412%0.11923%0.232CC..  trans-63.5121.2171.961.50000110.6V221V221-S223 VanDerWaalsContact C-N 3.3Å; V221-S223 PolarHBondContact O-N 2.79Å
224L77.4Confident81.8Confident112 Ų11249.3 Ų49.359%0.58626%0.257SS*.  trans-88.5-24.4176.7-67.7179.3000113.6L25 L33 D222L25-L224 HydrophobicContact CD1-CD1 3.46Å; L25-L224 VanDerWaalsContact CD1-CD1 3.46Å; L33-L224 HydrophobicContact CD1-CD1 3.98Å; D222-L224 PolarHBondContact O-N 3Å
225E83.8Confident79.5Confident102 Ų10256.6 Ų56.648%0.47729%0.291SS..SBendtrans-128.5145.7-178.4-64.4-166.7139.600110
226P86.8Confident77.1Confident38 Ų3866.4 Ų66.425%0.24733%0.334CS..  trans-65.7150.6173.428.9-34.3000110.2D214 I215 W216 F228 S229D214-P226 HydrophobicContact CB-CB 4.06Å; D214-P226 HydrophobicContact CB-CG 4.31Å; I215-P226 CarbonylContact O-C 3.58Å; I215-P226 WeakPolarHBondContact O-CA 3.46Å; I215-P226 WeakPolarHBondContact O-CB 2.91Å; W216-P226 HydrophobicContact CD2-CB 4.1Å; W216-P226 HydrophobicContact CE3-CB 4.43Å; W216-P226 HydrophobicContact CH2-CB 4.5Å; W216-P226 HydrophobicContact CZ2-CB 4.14Å; W216-P226 HydrophobicContact CZ2-CG 4.42Å; P226-F228 VanDerWaalsContact C-N 3.27Å; P226-F228 PolarHBondContact O-N 3.11Å; P226-S229 WeakPolarHBondContact CG-OG 3.17Å
227V84.7Confident74.5Confident76 Ų7675 Ų7546%0.46137%0.371SS..SBendtrans-61.6-42.2176.8-178.30000110.1Y203 I215 D217Y203-V227 HydrophobicContact CE1-CG1 4.45Å; Y203-V227 HydrophobicContact CE1-CG2 4.1Å; I215-V227 PolarHBondContact O-N 3.39Å; D217-V227 HydrophobicContact CB-CG2 3.83Å
228F84.6Confident72.1Confident39 Ų3983.9 Ų83.917%0.17141%0.409CS..EExtended strand (participates in β ladder)trans-157.6156.1171.364.8-76.7000111.3P194 I215 P226 L230 M286P194-F228 HydrophobicContact CG-CD1 3.78Å; P194-F228 HydrophobicContact CG-CE1 3.35Å; P194-F228 HydrophobicContact CG-CZ 3.9Å; I215-F228 HydrophobicContact CB-CD1 4.02Å; I215-F228 HydrophobicContact CB-CE1 3.77Å; I215-F228 HydrophobicContact CB-CE2 4.34Å; I215-F228 HydrophobicContact CB-CG 4.38Å; I215-F228 HydrophobicContact CB-CZ 3.97Å; I215-F228 WeakPolarHBondContact CB-O 3.13Å; I215-F228 HydrophobicContact CD1-CD2 3.87Å; I215-F228 HydrophobicContact CD1-CE1 3.99Å; I215-F228 HydrophobicContact CD1-CE2 3.2Å; I215-F228 HydrophobicContact CD1-CZ 3.26Å; I215-F228 HydrophobicContact CG1-CE1 4.49Å; I215-F228 HydrophobicContact CG1-CE2 4.33Å; I215-F228 HydrophobicContact CG1-CZ 4.19Å; I215-F228 HydrophobicContact CG2-CD1 4.02Å; I215-F228 HydrophobicContact CG2-CE1 3.4Å; I215-F228 HydrophobicContact CG2-CZ 3.78Å; I215-F228 PolarHBondContact N-O 2.95Å; P226-F228 VanDerWaalsContact C-N 3.27Å; P226-F228 PolarHBondContact O-N 3.11Å; F228-L230 HydrophobicContact CD2-CD2 4.18Å; F228-L230 HydrophobicContact CE2-CD2 4.15Å; F228-L230 HydrophobicContact CE2-CG 4.49Å; F228-M286 HydrophobicContact CD2-CE 4.5Å; F228-M286 HydrophobicContact CE2-CE 3.23Å; F228-M286 HydrophobicContact CZ-CE 3.4Å; F228-M286 VanDerWaalsContact CZ-CE 3.4Å
229S87.1Confident69.7Low58 Ų5893.6 Ų93.641%0.40645%0.451SS..EExtended strand (participates in β ladder)trans-122.8137.4179.4-59.80000110.1I213 D214 P226I213-S229 CarbonylContact O-C 3.52Å; I213-S229 VanDerWaalsContact O-CA 3.31Å; I213-S229 WeakPolarHBondContact O-CA 3.49Å; D214-S229 WeakPolarHBondContact OD1-CB 3.29Å; D214-S229 PolarHBondContact OD1-OG 3.09Å; P226-S229 WeakPolarHBondContact CG-OG 3.17Å
230L84.8Confident67.5Low1 Ų1102.3 Ų102.31%0.00549%0.488CS..EExtended strand (participates in β ladder)trans-99.3132.3174.5-56.8175.9000110.6V212 I213 I215 F228 L272 W284 M286V212-L230 WeakPolarHBondContact CA-O 3.32Å; I213-L230 HydrophobicContact CB-CB 4.21Å; I213-L230 PolarHBondContact N-O 3.16Å; I213-L230 PolarHBondContact O-N 2.99Å; I215-L230 HydrophobicContact CD1-CD1 4.13Å; I215-L230 HydrophobicContact CD1-CG 4.22Å; F228-L230 HydrophobicContact CD2-CD2 4.18Å; F228-L230 HydrophobicContact CE2-CD2 4.15Å; F228-L230 HydrophobicContact CE2-CG 4.49Å; L230-L272 HydrophobicContact CD1-CD2 3.96Å; L230-W284 HydrophobicContact CB-CD2 4.09Å; L230-W284 HydrophobicContact CB-CE3 3.84Å; L230-W284 HydrophobicContact CB-CH2 4.26Å; L230-W284 HydrophobicContact CB-CZ3 3.92Å; L230-W284 HydrophobicContact CD1-CB 3.88Å; L230-W284 HydrophobicContact CD1-CD2 3.99Å; L230-W284 HydrophobicContact CD1-CE3 4.23Å; L230-W284 HydrophobicContact CD1-CG 3.83Å; L230-W284 HydrophobicContact CD2-CE3 4.28Å; L230-W284 HydrophobicContact CG-CE3 4.35Å; L230-M286 HydrophobicContact CD1-CE 3.64Å; L230-M286 HydrophobicContact CD1-SD 3.48Å; L230-M286 WeakPolarHBondContact CD1-SD 3.36Å; L230-M286 HydrophobicContact CD2-CE 4.36Å; L230-M286 HydrophobicContact CG-CE 4.29Å
231G79.8Confident65.4Low25 Ų25110.3 Ų110.326%0.25852%0.521SS..SBendtrans93.9172.2-179.700000113.5E253G231-E253 WeakPolarHBondContact CA-O 3.44Å
232S74.3Confident63.6Low49 Ų49113.5 Ų113.534%0.34355%0.554SS.*  trans-117.1127.7-176.852.10000111.5K234 E253S232-K234 PolarHBondContact O-N 2.9Å; S232-E253 PolarHBondContact N-O 2.87Å; S232-E253 PolarHBondContact OG-O 3.36Å
233R62.1Low61.6Low191 Ų191119 Ų11972%0.72157%0.574SS**  trans-70.5124.9170.4-164173.4-178.1174.11.8108.3V212 E235V212-R233 HydrophobicContact CG2-CB 4.09Å; R233-E235 PolarHBondContact O-N 2.91Å
234K55Low59.8Low124 Ų124129 Ų12954%0.53962%0.615SS.*  trans-61.6104.3173.1-75.3179.3-178.8164.80109.5S232 K236S232-K234 PolarHBondContact O-N 2.9Å; K234-K236 PolarHBondContact O-N 3.41Å
235E44.7Very low57.7Low165 Ų165126.4 Ų126.477%0.77162%0.616SS**  trans-62.6120.4165.4-73.8-159.2156.500109R233 K237R233-E235 PolarHBondContact O-N 2.91Å; E235-K237 PolarHBondContact O-N 2.82Å
236K39.8Very low55.5Low207 Ų207129.8 Ų129.890%0.964%0.636SS**  trans-66.883.8169.9-72.7-179.5-179.8171.50108.4K234 K238K234-K236 PolarHBondContact O-N 3.41Å; K236-K238 PolarHBondContact O-N 3.35Å
237K38.4Very low53Low185 Ų185132.9 Ų132.980%0.80466%0.659SS**  trans-57.1110.4169.3-78.1-176.2177.7172.50108.3E235 K239E235-K237 PolarHBondContact O-N 2.82Å; K237-K239 PolarHBondContact O-N 2.68Å
238K36.9Very low50.5Low206 Ų206135.4 Ų135.490%0.89667%0.674SS**  trans-48116.9168.3-82.9179.3177.3170.50107.3K236 K240K236-K238 PolarHBondContact O-N 3.35Å; K238-K240 PolarHBondContact O-N 2.98Å
239K36.3Very low48.3Very low204 Ų204142 Ų14289%0.88771%0.706SS**  trans-58.696175.9-83.4-178.9176.4171.80109.1K237 K241K237-K239 PolarHBondContact O-N 2.68Å; K239-K241 PolarHBondContact O-N 2.78Å; K239-K241 VanDerWaalsContact O-N 3.13Å
240K36.8Very low45.8Very low206 Ų206142.3 Ų142.390%0.89672%0.718SS**  trans-66108.2158.4-95-177.6175.4173.50106.9K238 G242K238-K240 PolarHBondContact O-N 2.98Å; K240-G242 PolarHBondContact O-N 3.1Å
241K38.6Very low43.8Very low215 Ų215148.4 Ų148.494%0.93576%0.755SS**SBendtrans-56.3118.5169.2-91.2-178.5174.5175.10108.2K239K239-K241 PolarHBondContact O-N 2.78Å; K239-K241 VanDerWaalsContact O-N 3.13Å
242G45.3Very low42.5Very low70 Ų70150.1 Ų150.172%0.72276%0.761SS**  trans115.877.7164.600000115K240K240-G242 PolarHBondContact O-N 3.1Å
243K36.1Very low42.2Very low208 Ų208152.6 Ų152.690%0.90477%0.767SS**  trans-179.8114.4133.1-100.3167.8-178.8-178.90108.2G245K243-G245 VanDerWaalsContact C-N 3.27Å; K243-G245 PolarHBondContact O-N 3.42Å
244K42.9Very low43.1Very low227 Ų227143.9 Ų143.999%0.98774%0.737SS**  trans-67.691.2163.3-89.5-179.3173178.30106.9
245G33.9Very low44.6Very low59 Ų59138 Ų13861%0.60871%0.711SS**  trans-117.9131.1165.300000107.3K243 S247K243-G245 VanDerWaalsContact C-N 3.27Å; K243-G245 PolarHBondContact O-N 3.42Å; G245-S247 PolarHBondContact O-N 2.98Å
246L37.6Very low46.7Very low173 Ų173133.4 Ų133.491%0.90669%0.694SS**  trans-41.5109.1176-158.674.5000110T248L246-T248 PolarHBondContact O-N 3.27Å
247S33Very low49.1Very low102 Ų102127.1 Ų127.171%0.71367%0.67SS**  trans-68.5100.4169.750.20000106.7G245 E249G245-S247 PolarHBondContact O-N 2.98Å; S247-E249 VanDerWaalsContact C-N 3.3Å; S247-E249 PolarHBondContact O-N 3.28Å
248T32.9Very low51.6Low129 Ų129118.4 Ų118.479%0.79163%0.633SS**  trans-50.9107.7149.233.20000105.8L246 G250L246-T248 PolarHBondContact O-N 3.27Å; T248-G250 PolarHBondContact O-N 2.94Å
249E38.3Very low54.4Low179 Ų179108.6 Ų108.684%0.83659%0.59SS**  trans-53.495.2164.4-73.8179.3152.800106.1S247 T251S247-E249 VanDerWaalsContact C-N 3.3Å; S247-E249 PolarHBondContact O-N 3.28Å; E249-T251 PolarHBondContact O-N 2.84Å
250G35.2Very low57.1Low63 Ų63100 Ų10065%0.64955%0.554SS**  trans-61.3111.6164.200000105T248 V252T248-G250 PolarHBondContact O-N 2.94Å; G250-V252 PolarHBondContact O-N 2.87Å
251T42Very low59.9Low129 Ų12990.5 Ų90.579%0.79151%0.513SS*.  trans-47.6114.3173.8-31.60000106.5E249 E253E249-T251 PolarHBondContact O-N 2.84Å; T251-E253 PolarHBondContact O-N 2.97Å
252V52.8Low62.6Low62 Ų6280.5 Ų80.538%0.37647%0.47SS..  trans-64.5107.4174.9178.50000105.1G250 G254 T256G250-V252 PolarHBondContact O-N 2.87Å; V252-G254 PolarHBondContact O-N 3.21Å; V252-T256 HydrophobicContact CG1-CG2 4.26Å
253E66.9Low65Low101 Ų10177.5 Ų77.547%0.47244%0.437SS..SBendtrans-72.785.5172.6-69.2-171.6155.900106.6G231 S232 T251 K290G231-E253 WeakPolarHBondContact CA-O 3.44Å; S232-E253 PolarHBondContact N-O 2.87Å; S232-E253 PolarHBondContact OG-O 3.36Å; T251-E253 PolarHBondContact O-N 2.97Å; E253-K290 IonicContact OE1-NZ 3.35Å
254G81.8Confident67.7Low8 Ų868.3 Ų68.38%0.08240%0.397CS..SBendtrans133.1-168.4175.500000115.4V252 W284V252-G254 PolarHBondContact O-N 3.21Å; G254-W284 VanDerWaalsContact CA-CH2 3.48Å
255H87.1Confident69.9Low1 Ų157.7 Ų57.71%0.00535%0.351CS..  trans-68.3161.2178.2-76.6-59.2000112.1P211 S274 S276 D278 T280 I282P211-H255 HydrophobicContact CB-CB 4.03Å; P211-H255 WeakPolarHBondContact CB-O 3.28Å; H255-S274 PolarHBondContact CD2-OG 3.37Å; H255-S274 PolarHBondContact NE2-OG 3Å; H255-S276 WeakPolarHBondContact CE1-CB 3.17Å; H255-S276 WeakPolarHBondContact ND1-CB 3.33Å; H255-D278 VanDerWaalsContact CA-OD2 3.32Å; H255-D278 WeakPolarHBondContact CA-OD2 3.31Å; H255-D278 IonicContact CE1-OD1 3.53Å; H255-D278 IonicContact CG-OD2 3.79Å; H255-D278 IonicContact ND1-OD1 3.45Å; H255-D278 PolarHBondContact ND1-OD1 2.97Å; H255-D278 IonicContact ND1-OD2 3.72Å; H255-D278 PolarHBondContact ND1-OD2 2.88Å; H255-D278 VanDerWaalsContact ND1-OD2 3.1Å; H255-T280 PolarHBondContact CE1-OG1 2.92Å; H255-T280 PolarHBondContact ND1-OG1 2.88Å; H255-I282 VanDerWaalsContact CE1-CG1 3.5Å; H255-I282 WeakPolarHBondContact CE1-CG1 3.38Å; H255-I282 WeakPolarHBondContact ND1-CD1 3.16Å
256T87.5Confident72.3Confident68 Ų6861.2 Ų61.242%0.41735%0.35SS..SBendtrans-110.2-13.7176.261.20000114.1V252 D278V252-T256 HydrophobicContact CG1-CG2 4.26Å; T256-D278 PolarHBondContact N-OD2 2.94Å; T256-D278 WeakPolarHBondContact OG1-CB 3.24Å; T256-D278 PolarHBondContact OG1-OD2 3.21Å
257D90.2Very high74.5Confident74 Ų7457.2 Ų57.240%0.39633%0.326SS..SBendtrans-138.3-179.3180-153.7-8000110.5P211 S276 A277 D278P211-D257 WeakPolarHBondContact CA-O 3.49Å; D257-S276 PolarHBondContact O-OG 2.92Å; D257-S276 VanDerWaalsContact O-OG 3.11Å; D257-A277 HydrophobicContact CB-CB 4.07Å; D257-D278 HydrophobicContact CB-CB 4.02Å
258A92.4Very high77Confident3 Ų354.5 Ų54.53%0.02531%0.307CS..  trans-50.3145.2-177.900000114.1L185 M209 L260 S276 A277L185-A258 HydrophobicContact CD1-CB 4.11Å; M209-A258 HydrophobicContact SD-CB 4.07Å; A258-L260 HydrophobicContact CB-CD2 4.42Å; A258-S276 VanDerWaalsContact O-CA 3.23Å; A258-S276 WeakPolarHBondContact O-CA 3.39Å; A258-S276 WeakPolarHBondContact O-CB 3.19Å; A258-S276 PolarHBondContact O-OG 3.45Å; A258-A277 HydrophobicContact CB-CB 4.49Å; A258-A277 PolarHBondContact O-N 2.8Å
259V94.6Very high79.4Confident0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-94.5112.6175.6-178.20000109.2L185 N208 I213 L262 A275L185-V259 WeakPolarHBondContact CD1-O 3.46Å; N208-V259 PolarHBondContact O-N 3.48Å; I213-V259 HydrophobicContact CG1-CG1 4.19Å; I213-V259 HydrophobicContact CG1-CG2 3.93Å; V259-L262 HydrophobicContact CG1-CD2 3.82Å; V259-L262 HydrophobicContact CG1-CG 4.15Å; V259-A275 CarbonylContact C-O 3.56Å; V259-A275 WeakPolarHBondContact CA-O 3.43Å
260L94.2Very high81.7Confident24 Ų2449.5 Ų49.513%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-86.6-38.1-171.4-57.7-174.9000112.5L185 S186 A258 A275 A277 K301 V302 Q303L185-L260 HydrophobicContact CD1-CD2 3.66Å; S186-L260 WeakPolarHBondContact CB-O 3.45Å; S186-L260 PolarHBondContact OG-O 3.04Å; A258-L260 HydrophobicContact CB-CD2 4.42Å; L260-A275 PolarHBondContact N-O 2.95Å; L260-A277 HydrophobicContact CD1-CB 4.23Å; L260-A277 HydrophobicContact CD2-CB 4.47Å; L260-A277 HydrophobicContact CG-CB 4.41Å; L260-K301 HydrophobicContact CD1-CB 4.27Å; L260-V302 WeakPolarHBondContact CD1-O 3.48Å; L260-Q303 HydrophobicContact CD1-CG 4.45Å
261D94.8Very high84.3Confident6 Ų648.5 Ų48.53%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-145.6156.8179.2-150.720000111.2S186 A275 Q303 T304 L305 R347S186-D261 WeakPolarHBondContact OG-CA 3.46Å; D261-A275 HydrophobicContact CB-CB 4.42Å; D261-A275 PolarHBondContact N-O 3.47Å; D261-A275 PolarHBondContact O-N 2.81Å; D261-Q303 WeakPolarHBondContact CB-O 3.31Å; D261-T304 WeakPolarHBondContact OD2-CA 3.41Å; D261-T304 PolarHBondContact OD2-OG1 3.14Å; D261-L305 HydrophobicContact CB-CD2 4.16Å; D261-L305 WeakPolarHBondContact O-CD2 3.4Å; D261-L305 PolarHBondContact OD2-N 2.83Å; D261-R347 IonicContact OD1-CZ 3.6Å; D261-R347 IonicContact OD1-NH1 3.31Å; D261-R347 IonicContact OD1-NH2 2.68Å; D261-R347 PolarHBondContact OD1-NH2 2.93Å; D261-R347 IonicContact OD2-CZ 2.62Å; D261-R347 IonicContact OD2-NH2 3.51Å; D261-R347 PolarHBondContact OD2-NH2 3.43Å
262L95.3Very high86.7Confident5 Ų542.4 Ų42.43%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-134.6141.5179-68.9173.1000108.8E188 A205 G207 I213 V259 L272 A273E188-L262 HydrophobicContact CB-CB 3.91Å; A205-L262 HydrophobicContact CB-CD1 3.89Å; G207-L262 VanDerWaalsContact N-CD1 3.26Å; I213-L262 HydrophobicContact CD1-CD2 3.79Å; I213-L262 HydrophobicContact CG1-CD2 4.11Å; I213-L262 HydrophobicContact CG2-CD1 3.88Å; I213-L262 HydrophobicContact CG2-CD2 4.1Å; V259-L262 HydrophobicContact CG1-CD2 3.82Å; V259-L262 HydrophobicContact CG1-CG 4.15Å; L262-L272 HydrophobicContact CD2-CD2 4.4Å; L262-A273 WeakPolarHBondContact CA-O 3.44Å
263S94.6Very high88.7Confident6 Ų639.4 Ų39.44%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-142.6130.8169.9-168.70000110.2A273 F307S263-A273 PolarHBondContact N-O 2.93Å; S263-A273 PolarHBondContact O-N 3Å; S263-F307 WeakPolarHBondContact O-CD2 3.38Å; S263-F307 VanDerWaalsContact O-CE2 3.26Å; S263-F307 WeakPolarHBondContact O-CE2 3.37Å; S263-F307 PolarHBondContact OG-N 2.85Å
264W93Very high90Very high16 Ų1634.6 Ų34.66%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-97.4141.8179178.967.8000111.5E188 W189 L190 N191 K266 R269 L272E188-W264 HydrophobicContact CG-CB 3.87Å; E188-W264 PolarHBondContact OE1-N 2.99Å; E188-W264 VanDerWaalsContact OE1-N 3.11Å; W189-W264 HydrophobicContact CZ3-CZ3 4.47Å; L190-W264 HydrophobicContact CB-CB 4.48Å; L190-W264 HydrophobicContact CB-CD2 3.99Å; L190-W264 HydrophobicContact CB-CG 3.93Å; N191-W264 HydrophobicContact CB-CH2 3.84Å; N191-W264 HydrophobicContact CB-CZ2 4.48Å; N191-W264 HydrophobicContact CB-CZ3 4.41Å; W264-K266 HydrophobicContact CE3-CG 4.24Å; W264-K266 HydrophobicContact CZ3-CG 4.26Å; W264-K266 PolarHBondContact O-N 2.78Å; W264-R269 HydrophobicContact CH2-CG 4.08Å; W264-R269 HydrophobicContact CZ2-CB 3.75Å; W264-R269 HydrophobicContact CZ2-CG 3.71Å; W264-R269 PolarHBondContact NE1-O 3.48Å; W264-L272 HydrophobicContact CB-CD1 3.87Å
265N89.9Confident90.6Very high3 Ų334.2 Ų34.22%0.01617%0.171CC..  trans-83.3111.1178.6-170.1-28.2000110.9Q267 S268 V271 F307 T312N265-Q267 PolarHBondContact O-N 3.39Å; N265-Q267 PolarHBondContact OD1-N 3.37Å; N265-S268 CarbonylContact O-C 3.56Å; N265-S268 PolarHBondContact OD1-N 2.86Å; N265-V271 HydrophobicContact CB-CB 4.18Å; N265-V271 WeakPolarHBondContact CB-O 3.35Å; N265-V271 PolarHBondContact N-O 2.87Å; N265-V271 VanDerWaalsContact N-O 3.1Å; N265-F307 HydrophobicContact CB-CD1 4.31Å; N265-F307 HydrophobicContact CB-CD2 3.94Å; N265-F307 HydrophobicContact CB-CE1 4.4Å; N265-F307 HydrophobicContact CB-CE2 4.01Å; N265-F307 HydrophobicContact CB-CG 4.09Å; N265-F307 HydrophobicContact CB-CZ 4.25Å; N265-T312 PolarHBondContact ND2-O 2.91Å
266K83.7Confident90.9Very high133 Ų13334.2 Ų34.258%0.57817%0.171SC*.SBendtrans-66.4-21.1-178.4-62.6179.6-178.3174.50114.1W264W264-K266 HydrophobicContact CE3-CG 4.24Å; W264-K266 HydrophobicContact CZ3-CG 4.26Å; W264-K266 PolarHBondContact O-N 2.78Å
267Q84.9Confident91.2Very high90 Ų9031.4 Ų31.442%0.42116%0.155SC..SBendtrans-96.8-42.6-178.8-68.6-170.6-25.700111.6N265 F310 E311 T312N265-Q267 PolarHBondContact O-N 3.39Å; N265-Q267 PolarHBondContact OD1-N 3.37Å; Q267-F310 VanDerWaalsContact CD-C 3.44Å; Q267-F310 PolarHBondContact NE2-O 2.95Å; Q267-F310 PolarHBondContact OE1-O 2.85Å; Q267-E311 VanDerWaalsContact OE1-C 3.23Å; Q267-T312 HydrophobicContact CB-CG2 3.31Å; Q267-T312 HydrophobicContact CG-CG2 4.33Å; Q267-T312 VanDerWaalsContact OE1-CG2 3.31Å
268S85Confident91.2Very high45 Ų4529.2 Ų29.232%0.31514%0.143SC..SBendtrans-104.688.9174-65.90000110.1N265 N270 V271 T312N265-S268 CarbonylContact O-C 3.56Å; N265-S268 PolarHBondContact OD1-N 2.86Å; S268-N270 PolarHBondContact O-N 3.47Å; S268-V271 PolarHBondContact O-N 3.41Å; S268-T312 VanDerWaalsContact OG-CG2 3.24Å; S268-T312 WeakPolarHBondContact OG-CG2 3.35Å
269R83.3Confident91.2Very high134 Ų13431.4 Ų31.451%0.50615%0.154SC..THydrogen-bonded Turntrans-55-26.2-173.2-65-176.5-73.3-91.10.7114.9F192 W264 V271F192-R269 HydrophobicContact CD2-CB 4.26Å; F192-R269 WeakPolarHBondContact CD2-O 3.5Å; W264-R269 HydrophobicContact CH2-CG 4.08Å; W264-R269 HydrophobicContact CZ2-CB 3.75Å; W264-R269 HydrophobicContact CZ2-CG 3.71Å; W264-R269 PolarHBondContact NE1-O 3.48Å; R269-V271 VanDerWaalsContact C-N 3.27Å; R269-V271 PolarHBondContact O-N 2.97Å
270N86.1Confident91.1Very high68 Ų6832.3 Ų32.336%0.36416%0.16SC..THydrogen-bonded Turntrans-83.4-0.5-177-56.214.2000113F192 S268 D285 M286F192-N270 HydrophobicContact CE2-CB 4.22Å; F192-N270 VanDerWaalsContact CE2-OD1 3.22Å; F192-N270 WeakPolarHBondContact CE2-OD1 3.5Å; S268-N270 PolarHBondContact O-N 3.47Å; N270-D285 WeakPolarHBondContact O-CA 3.47Å; N270-M286 WeakPolarHBondContact O-CB 3.3Å; N270-M286 VanDerWaalsContact O-CG 3.32Å; N270-M286 WeakPolarHBondContact O-CG 3.43Å; N270-M286 PolarHBondContact O-N 3.47Å
271V90.5Very high91Very high42 Ų4231.2 Ų31.226%0.25515%0.154SC..EExtended strand (participates in β ladder)trans-113.5122.2-173.7-176.30000110.9N265 S268 R269 W284 F307N265-V271 HydrophobicContact CB-CB 4.18Å; N265-V271 WeakPolarHBondContact CB-O 3.35Å; N265-V271 PolarHBondContact N-O 2.87Å; N265-V271 VanDerWaalsContact N-O 3.1Å; S268-V271 PolarHBondContact O-N 3.41Å; R269-V271 VanDerWaalsContact C-N 3.27Å; R269-V271 PolarHBondContact O-N 2.97Å; V271-W284 WeakPolarHBondContact CA-O 3.49Å; V271-F307 HydrophobicContact CG1-CE2 4.49Å; V271-F307 HydrophobicContact CG1-CZ 3.87Å
272L92.7Very high90.9Very high1 Ų131 Ų311%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-117.6140.1171-17771.4000108.9A205 I213 L230 L262 W264 W284 M286A205-L272 HydrophobicContact CB-CD2 4.07Å; I213-L272 HydrophobicContact CG2-CD2 4.37Å; L230-L272 HydrophobicContact CD1-CD2 3.96Å; L262-L272 HydrophobicContact CD2-CD2 4.4Å; W264-L272 HydrophobicContact CB-CD1 3.87Å; L272-W284 HydrophobicContact CB-CB 4.34Å; L272-W284 PolarHBondContact N-O 3.4Å; L272-W284 VanDerWaalsContact N-O 3.15Å; L272-W284 PolarHBondContact O-N 3.07Å; L272-M286 HydrophobicContact CB-CG 4.18Å; L272-M286 HydrophobicContact CB-SD 3.51Å; L272-M286 VanDerWaalsContact CB-SD 3.51Å; L272-M286 HydrophobicContact CD2-CE 4.4Å; L272-M286 HydrophobicContact CD2-SD 4.01Å; L272-M286 HydrophobicContact CG-SD 4.42Å
273A93.8Very high90.8Very high0 Ų031.1 Ų31.10%015%0.154CC..EExtended strand (participates in β ladder)trans-112.6141.5172.400000109.8L262 S263 I282 L283 L305 F307 L315L262-A273 WeakPolarHBondContact CA-O 3.44Å; S263-A273 PolarHBondContact N-O 2.93Å; S263-A273 PolarHBondContact O-N 3Å; A273-I282 WeakPolarHBondContact CA-O 3.43Å; A273-L283 HydrophobicContact CB-CD2 3.62Å; A273-L305 HydrophobicContact CB-CD1 3.4Å; A273-L305 VanDerWaalsContact CB-CD1 3.4Å; A273-F307 HydrophobicContact CB-CD2 4.25Å; A273-F307 HydrophobicContact CB-CE2 3.33Å; A273-F307 HydrophobicContact CB-CZ 3.61Å; A273-L315 HydrophobicContact CB-CD1 4.24Å; A273-L315 HydrophobicContact CB-CD2 3.98Å
274S94.8Very high90.7Very high0 Ų030.9 Ų30.90%015%0.152CC..EExtended strand (participates in β ladder)trans-129.4139.6178.961.70000111.4I213 H255 V281 I282 W284 L305I213-S274 VanDerWaalsContact CD1-CB 3.48Å; H255-S274 PolarHBondContact CD2-OG 3.37Å; H255-S274 PolarHBondContact NE2-OG 3Å; S274-V281 CarbonylContact O-C 3.52Å; S274-V281 VanDerWaalsContact O-CA 3.29Å; S274-V281 WeakPolarHBondContact O-CA 3.47Å; S274-V281 WeakPolarHBondContact O-CG1 3.36Å; S274-I282 PolarHBondContact N-O 2.82Å; S274-I282 PolarHBondContact O-N 3.1Å; S274-I282 PolarHBondContact OG-O 2.95Å; S274-W284 PolarHBondContact OG-NE1 3.1Å; S274-L305 VanDerWaalsContact C-CD2 3.44Å
275A94.4Very high90.5Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-112138175.700000108.9V259 L260 D261 V302 L305V259-A275 CarbonylContact C-O 3.56Å; V259-A275 WeakPolarHBondContact CA-O 3.43Å; L260-A275 PolarHBondContact N-O 2.95Å; D261-A275 HydrophobicContact CB-CB 4.42Å; D261-A275 PolarHBondContact N-O 3.47Å; D261-A275 PolarHBondContact O-N 2.81Å; A275-V302 HydrophobicContact CB-CB 3.9Å; A275-V302 HydrophobicContact CB-CG1 3.64Å; A275-V302 WeakPolarHBondContact CB-O 3.3Å; A275-L305 HydrophobicContact CB-CB 4.27Å; A275-L305 HydrophobicContact CB-CD2 3.37Å; A275-L305 HydrophobicContact CB-CG 4.4Å
276S94.2Very high90.3Very high0 Ų032.7 Ų32.70%016%0.162CC..EExtended strand (participates in β ladder)trans-132159.4-175.2176.60000112.8H255 D257 A258 D278 N279 T280 V302H255-S276 WeakPolarHBondContact CE1-CB 3.17Å; H255-S276 WeakPolarHBondContact ND1-CB 3.33Å; D257-S276 PolarHBondContact O-OG 2.92Å; D257-S276 VanDerWaalsContact O-OG 3.11Å; A258-S276 VanDerWaalsContact O-CA 3.23Å; A258-S276 WeakPolarHBondContact O-CA 3.39Å; A258-S276 WeakPolarHBondContact O-CB 3.19Å; A258-S276 PolarHBondContact O-OG 3.45Å; S276-D278 VanDerWaalsContact CB-OD1 3.3Å; S276-D278 WeakPolarHBondContact CB-OD1 3.34Å; S276-D278 PolarHBondContact O-N 3.18Å; S276-D278 PolarHBondContact OG-N 3.44Å; S276-D278 VanDerWaalsContact OG-N 3.16Å; S276-D278 PolarHBondContact OG-OD1 2.89Å; S276-N279 PolarHBondContact O-N 3.17Å; S276-T280 PolarHBondContact N-O 2.97Å; S276-V302 PolarHBondContact O-N 3.49Å; S276-V302 VanDerWaalsContact O-N 3.12Å
277A93.5Very high90.3Very high10 Ų1029.6 Ų29.68%0.08316%0.158CC..THydrogen-bonded Turntrans-66-6.1167.400000113.6D257 A258 L260 N279 K301D257-A277 HydrophobicContact CB-CB 4.07Å; A258-A277 HydrophobicContact CB-CB 4.49Å; A258-A277 PolarHBondContact O-N 2.8Å; L260-A277 HydrophobicContact CD1-CB 4.23Å; L260-A277 HydrophobicContact CD2-CB 4.47Å; L260-A277 HydrophobicContact CG-CB 4.41Å; A277-N279 PolarHBondContact O-N 3.49Å; A277-N279 PolarHBondContact O-OD1 3.41Å; A277-K301 HydrophobicContact CB-CD 4Å; A277-K301 HydrophobicContact CB-CG 4.14Å
278D90.1Very high90.1Very high28 Ų2829.6 Ų29.615%0.1516%0.164CC..THydrogen-bonded Turntrans-82.99.8172.970.411000114.6H255 T256 D257 S276 T280H255-D278 VanDerWaalsContact CA-OD2 3.32Å; H255-D278 WeakPolarHBondContact CA-OD2 3.31Å; H255-D278 IonicContact CE1-OD1 3.53Å; H255-D278 IonicContact CG-OD2 3.79Å; H255-D278 IonicContact ND1-OD1 3.45Å; H255-D278 PolarHBondContact ND1-OD1 2.97Å; H255-D278 IonicContact ND1-OD2 3.72Å; H255-D278 PolarHBondContact ND1-OD2 2.88Å; H255-D278 VanDerWaalsContact ND1-OD2 3.1Å; T256-D278 PolarHBondContact N-OD2 2.94Å; T256-D278 WeakPolarHBondContact OG1-CB 3.24Å; T256-D278 PolarHBondContact OG1-OD2 3.21Å; D257-D278 HydrophobicContact CB-CB 4.02Å; S276-D278 VanDerWaalsContact CB-OD1 3.3Å; S276-D278 WeakPolarHBondContact CB-OD1 3.34Å; S276-D278 PolarHBondContact O-N 3.18Å; S276-D278 PolarHBondContact OG-N 3.44Å; S276-D278 VanDerWaalsContact OG-N 3.16Å; S276-D278 PolarHBondContact OG-OD1 2.89Å; D278-T280 VanDerWaalsContact CG-OG1 3.31Å; D278-T280 PolarHBondContact O-N 2.95Å; D278-T280 WeakPolarHBondContact OD1-CB 3.29Å; D278-T280 PolarHBondContact OD1-N 3.36Å; D278-T280 PolarHBondContact OD1-OG1 3.49Å; D278-T280 PolarHBondContact OD2-OG1 2.85Å
279N92.1Very high89.9Confident49 Ų4929 Ų2926%0.26216%0.164SC..SBendtrans6911.9-179.9-46.5-13.4000113.8S276 A277 T299 D300 K301S276-N279 PolarHBondContact O-N 3.17Å; A277-N279 PolarHBondContact O-N 3.49Å; A277-N279 PolarHBondContact O-OD1 3.41Å; N279-T299 PolarHBondContact ND2-O 3.01Å; N279-T299 VanDerWaalsContact ND2-O 3.13Å; N279-D300 WeakPolarHBondContact OD1-CA 3.3Å; N279-D300 PolarHBondContact OD1-O 2.9Å; N279-K301 WeakPolarHBondContact OD1-CA 3.33Å; N279-K301 PolarHBondContact OD1-N 2.91Å
280T91.6Very high90Very high19 Ų1927.2 Ų27.212%0.11716%0.16CC..  trans-111.6150.8178.775.50000112H255 S276 D278 N294 L295 T296H255-T280 PolarHBondContact CE1-OG1 2.92Å; H255-T280 PolarHBondContact ND1-OG1 2.88Å; S276-T280 PolarHBondContact N-O 2.97Å; D278-T280 VanDerWaalsContact CG-OG1 3.31Å; D278-T280 PolarHBondContact O-N 2.95Å; D278-T280 WeakPolarHBondContact OD1-CB 3.29Å; D278-T280 PolarHBondContact OD1-N 3.36Å; D278-T280 PolarHBondContact OD1-OG1 3.49Å; D278-T280 PolarHBondContact OD2-OG1 2.85Å; T280-N294 WeakPolarHBondContact CB-OD1 3.48Å; T280-L295 WeakPolarHBondContact CA-O 3.43Å; T280-T296 HydrophobicContact CG2-CG2 3.94Å
281V93.6Very high90.1Very high0 Ų026.3 Ų26.30%016%0.158CC..EExtended strand (participates in β ladder)trans-111.8126.4165.1-1800000107.6S274 L295 V302 L315S274-V281 CarbonylContact O-C 3.52Å; S274-V281 VanDerWaalsContact O-CA 3.29Å; S274-V281 WeakPolarHBondContact O-CA 3.47Å; S274-V281 WeakPolarHBondContact O-CG1 3.36Å; V281-L295 HydrophobicContact CB-CB 4.08Å; V281-L295 HydrophobicContact CB-CD1 4.09Å; V281-L295 HydrophobicContact CB-CG 4.39Å; V281-L295 HydrophobicContact CG1-CD1 3.99Å; V281-L295 PolarHBondContact N-O 3.15Å; V281-L295 WeakPolarHBondContact O-CB 3.43Å; V281-L295 WeakPolarHBondContact O-CG 3.46Å; V281-L295 PolarHBondContact O-N 2.68Å; V281-V302 HydrophobicContact CG2-CB 4.23Å; V281-V302 HydrophobicContact CG2-CG1 3.76Å; V281-V302 HydrophobicContact CG2-CG2 4.05Å; V281-L315 HydrophobicContact CG1-CD2 4.02Å
282I92.8Very high89.9Confident1 Ų127.8 Ų27.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-111.3132.5-179.7-62.4178.2000109H255 A273 S274 W284 P291 A293H255-I282 VanDerWaalsContact CE1-CG1 3.5Å; H255-I282 WeakPolarHBondContact CE1-CG1 3.38Å; H255-I282 WeakPolarHBondContact ND1-CD1 3.16Å; A273-I282 WeakPolarHBondContact CA-O 3.43Å; S274-I282 PolarHBondContact N-O 2.82Å; S274-I282 PolarHBondContact O-N 3.1Å; S274-I282 PolarHBondContact OG-O 2.95Å; I282-W284 HydrophobicContact CB-CZ2 4.44Å; I282-W284 HydrophobicContact CD1-CZ2 4.35Å; I282-W284 HydrophobicContact CG2-CD2 4.02Å; I282-W284 HydrophobicContact CG2-CG 4.33Å; I282-W284 HydrophobicContact CG2-CZ2 3.88Å; I282-P291 HydrophobicContact CG2-CB 3.67Å; I282-A293 WeakPolarHBondContact CA-O 3.42Å
283L92.5Very high89.6Confident9 Ų928.9 Ų28.95%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-93.3124.4166.9-59.1-177.2000108.2A273 P291 A292 A293 F307 L315 C329A273-L283 HydrophobicContact CB-CD2 3.62Å; L283-P291 CarbonylContact O-C 3.57Å; L283-A292 PolarHBondContact O-N 3.14Å; L283-A293 HydrophobicContact CB-CB 4.2Å; L283-A293 HydrophobicContact CD1-CB 4.12Å; L283-A293 HydrophobicContact CG-CB 4.35Å; L283-A293 PolarHBondContact N-O 3.29Å; L283-A293 PolarHBondContact O-N 2.84Å; L283-F307 HydrophobicContact CD2-CZ 3.98Å; L283-L315 HydrophobicContact CD2-CD2 3.86Å; L283-C329 HydrophobicContact CD1-CB 3.78Å
284W91.6Very high89.4Confident1 Ų132.4 Ų32.40%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-103.2136.8179.2-61.791000110.5I213 L230 G254 V271 L272 S274 I282 M286 P291I213-W284 HydrophobicContact CD1-CZ2 4.31Å; L230-W284 HydrophobicContact CB-CD2 4.09Å; L230-W284 HydrophobicContact CB-CE3 3.84Å; L230-W284 HydrophobicContact CB-CH2 4.26Å; L230-W284 HydrophobicContact CB-CZ3 3.92Å; L230-W284 HydrophobicContact CD1-CB 3.88Å; L230-W284 HydrophobicContact CD1-CD2 3.99Å; L230-W284 HydrophobicContact CD1-CE3 4.23Å; L230-W284 HydrophobicContact CD1-CG 3.83Å; L230-W284 HydrophobicContact CD2-CE3 4.28Å; L230-W284 HydrophobicContact CG-CE3 4.35Å; G254-W284 VanDerWaalsContact CA-CH2 3.48Å; V271-W284 WeakPolarHBondContact CA-O 3.49Å; L272-W284 HydrophobicContact CB-CB 4.34Å; L272-W284 PolarHBondContact N-O 3.4Å; L272-W284 VanDerWaalsContact N-O 3.15Å; L272-W284 PolarHBondContact O-N 3.07Å; S274-W284 PolarHBondContact OG-NE1 3.1Å; I282-W284 HydrophobicContact CB-CZ2 4.44Å; I282-W284 HydrophobicContact CD1-CZ2 4.35Å; I282-W284 HydrophobicContact CG2-CD2 4.02Å; I282-W284 HydrophobicContact CG2-CG 4.33Å; I282-W284 HydrophobicContact CG2-CZ2 3.88Å; W284-M286 HydrophobicContact CB-SD 4.2Å; W284-P291 HydrophobicContact CE3-CB 4.29Å; W284-P291 HydrophobicContact CZ3-CB 4.19Å; W284-P291 HydrophobicContact CZ3-CG 4.38Å
285D89.3Confident89.1Confident50 Ų5032.5 Ų32.527%0.26720%0.203SC..EExtended strand (participates in β ladder)trans-94109.5163.1-172.5-18.7000108.7N270 S287 V288 G289 K290 A292N270-D285 WeakPolarHBondContact O-CA 3.47Å; D285-S287 VanDerWaalsContact C-N 3.26Å; D285-S287 PolarHBondContact O-N 3.45Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 3.02Å; D285-S287 PolarHBondContact OD1-OG 3.19Å; D285-V288 PolarHBondContact O-N 2.92Å; D285-G289 WeakPolarHBondContact O-CA 3.43Å; D285-G289 PolarHBondContact O-N 3.11Å; D285-K290 PolarHBondContact N-O 2.88Å; D285-K290 PolarHBondContact O-N 2.8Å; D285-A292 HydrophobicContact CB-CB 4.37Å
286M85.3Confident88.7Confident6 Ų636.5 Ų36.53%0.0323%0.228CC..THydrogen-bonded Turntrans-66.3-26.9-178.4-58.3-46.4-65.800112.8F192 I215 F228 L230 N270 L272 W284 V288F192-M286 HydrophobicContact CD1-CB 3.67Å; F192-M286 HydrophobicContact CD1-CG 4.37Å; F192-M286 HydrophobicContact CE1-CB 3.38Å; F192-M286 HydrophobicContact CE2-CB 4.33Å; F192-M286 HydrophobicContact CG-CB 4.26Å; F192-M286 HydrophobicContact CZ-CB 3.75Å; I215-M286 HydrophobicContact CD1-CE 3.07Å; F228-M286 HydrophobicContact CD2-CE 4.5Å; F228-M286 HydrophobicContact CE2-CE 3.23Å; F228-M286 HydrophobicContact CZ-CE 3.4Å; F228-M286 VanDerWaalsContact CZ-CE 3.4Å; L230-M286 HydrophobicContact CD1-CE 3.64Å; L230-M286 HydrophobicContact CD1-SD 3.48Å; L230-M286 WeakPolarHBondContact CD1-SD 3.36Å; L230-M286 HydrophobicContact CD2-CE 4.36Å; L230-M286 HydrophobicContact CG-CE 4.29Å; N270-M286 WeakPolarHBondContact O-CB 3.3Å; N270-M286 VanDerWaalsContact O-CG 3.32Å; N270-M286 WeakPolarHBondContact O-CG 3.43Å; N270-M286 PolarHBondContact O-N 3.47Å; L272-M286 HydrophobicContact CB-CG 4.18Å; L272-M286 HydrophobicContact CB-SD 3.51Å; L272-M286 VanDerWaalsContact CB-SD 3.51Å; L272-M286 HydrophobicContact CD2-CE 4.4Å; L272-M286 HydrophobicContact CD2-SD 4.01Å; L272-M286 HydrophobicContact CG-SD 4.42Å; W284-M286 HydrophobicContact CB-SD 4.2Å; M286-V288 VanDerWaalsContact C-N 3.33Å
287S83.6Confident88.3Confident69 Ų6938.5 Ų38.548%0.48324%0.238SC..THydrogen-bonded Turntrans-73.7-28.4-179.868.30000112.8D285D285-S287 VanDerWaalsContact C-N 3.26Å; D285-S287 PolarHBondContact O-N 3.45Å; D285-S287 WeakPolarHBondContact OD1-CB 3.35Å; D285-S287 PolarHBondContact OD1-N 3.02Å; D285-S287 PolarHBondContact OD1-OG 3.19Å
288V82.1Confident88.1Confident90 Ų9038.7 Ų38.755%0.54524%0.237SC..THydrogen-bonded Turntrans-103.9-18.2179.4-1710000111.4D285 M286 K290D285-V288 PolarHBondContact O-N 2.92Å; M286-V288 VanDerWaalsContact C-N 3.33Å; V288-K290 VanDerWaalsContact C-N 3.28Å; V288-K290 HydrophobicContact CB-CB 4.41Å; V288-K290 HydrophobicContact CG1-CB 4.05Å; V288-K290 HydrophobicContact CG1-CD 3.88Å; V288-K290 HydrophobicContact CG1-CG 3.92Å
289G80.3Confident88.1Confident31 Ų3142.8 Ų42.832%0.3226%0.263SS..THydrogen-bonded Turntrans68.326.6-173.800000113D285D285-G289 WeakPolarHBondContact O-CA 3.43Å; D285-G289 PolarHBondContact O-N 3.11Å
290K84.7Confident88.1Confident98 Ų9843.6 Ų43.643%0.42627%0.267SS..EExtended strand (participates in β ladder)trans-126.2153.1-172.2-73.4-168.6-178.1-153.80112.8E253 D285 V288 A292E253-K290 IonicContact OE1-NZ 3.35Å; D285-K290 PolarHBondContact N-O 2.88Å; D285-K290 PolarHBondContact O-N 2.8Å; V288-K290 VanDerWaalsContact C-N 3.28Å; V288-K290 HydrophobicContact CB-CB 4.41Å; V288-K290 HydrophobicContact CG1-CB 4.05Å; V288-K290 HydrophobicContact CG1-CD 3.88Å; V288-K290 HydrophobicContact CG1-CG 3.92Å; K290-A292 PolarHBondContact O-N 2.68Å
291P88.5Confident88.1Confident48 Ų4846.9 Ų46.931%0.31228%0.28SS..EExtended strand (participates in β ladder)trans-69.1120.8173.929.1-33.5000109.8I282 L283 W284I282-P291 HydrophobicContact CG2-CB 3.67Å; L283-P291 CarbonylContact O-C 3.57Å; W284-P291 HydrophobicContact CE3-CB 4.29Å; W284-P291 HydrophobicContact CZ3-CB 4.19Å; W284-P291 HydrophobicContact CZ3-CG 4.38Å
292A87.1Confident88.2Confident73 Ų7346.9 Ų46.960%0.60328%0.28SS*.EExtended strand (participates in β ladder)trans-83-38.7176.700000112.1L283 D285 K290L283-A292 PolarHBondContact O-N 3.14Å; D285-A292 HydrophobicContact CB-CB 4.37Å; K290-A292 PolarHBondContact O-N 2.68Å
293A86.6Confident88.2Confident24 Ų2448.7 Ų48.720%0.19829%0.289CS..EExtended strand (participates in β ladder)trans-148.8148.3177.400000111.5I282 L283I282-A293 WeakPolarHBondContact CA-O 3.42Å; L283-A293 HydrophobicContact CB-CB 4.2Å; L283-A293 HydrophobicContact CD1-CB 4.12Å; L283-A293 HydrophobicContact CG-CB 4.35Å; L283-A293 PolarHBondContact N-O 3.29Å; L283-A293 PolarHBondContact O-N 2.84Å
294N88.6Confident88.3Confident75 Ų7548.3 Ų48.340%0.40129%0.287SS..EExtended strand (participates in β ladder)trans-118.4125.6172.8-170.3-35000109.2T280 T296T280-N294 WeakPolarHBondContact CB-OD1 3.48Å; N294-T296 VanDerWaalsContact OD1-CG2 3.27Å; N294-T296 WeakPolarHBondContact OD1-CG2 3.3Å
295L88.4Confident88.5Confident1 Ų148.4 Ų48.41%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-109.7109.5-176.8-44.2177.7000108.7T280 V281 L315 Y327 P332T280-L295 WeakPolarHBondContact CA-O 3.43Å; V281-L295 HydrophobicContact CB-CB 4.08Å; V281-L295 HydrophobicContact CB-CD1 4.09Å; V281-L295 HydrophobicContact CB-CG 4.39Å; V281-L295 HydrophobicContact CG1-CD1 3.99Å; V281-L295 PolarHBondContact N-O 3.15Å; V281-L295 WeakPolarHBondContact O-CB 3.43Å; V281-L295 WeakPolarHBondContact O-CG 3.46Å; V281-L295 PolarHBondContact O-N 2.68Å; L295-L315 HydrophobicContact CD1-CD2 4.29Å; L295-Y327 HydrophobicContact CB-CD1 4.34Å; L295-Y327 HydrophobicContact CB-CE1 3.85Å; L295-Y327 HydrophobicContact CD1-CD1 3.77Å; L295-Y327 HydrophobicContact CD1-CD2 4.05Å; L295-Y327 HydrophobicContact CD1-CE1 3.95Å; L295-Y327 HydrophobicContact CD1-CE2 4.23Å; L295-Y327 HydrophobicContact CD1-CG 3.82Å; L295-Y327 HydrophobicContact CD2-CD1 4.4Å; L295-Y327 HydrophobicContact CG-CD1 4.41Å; L295-Y327 HydrophobicContact CG-CE1 4.38Å; L295-P332 HydrophobicContact CD2-CB 3.06Å; L295-P332 HydrophobicContact CD2-CG 3.98Å
296T86.8Confident88.7Confident85 Ų8548.4 Ų48.452%0.52129%0.286SS..  trans-113.241.2-175.863.20000111.6T280 N294T280-T296 HydrophobicContact CG2-CG2 3.94Å; N294-T296 VanDerWaalsContact OD1-CG2 3.27Å; N294-T296 WeakPolarHBondContact OD1-CG2 3.3Å
297L85.4Confident89.1Confident42 Ų4248.6 Ų48.622%0.2229%0.287CS..  trans-83.8-22.6-178.8-64.6-173000112.9V325 Y327 H336L297-V325 HydrophobicContact CD1-CG1 4.01Å; L297-Y327 HydrophobicContact CB-CE1 4.09Å; L297-Y327 HydrophobicContact CD1-CD1 3.88Å; L297-Y327 HydrophobicContact CD1-CE1 3.47Å; L297-Y327 VanDerWaalsContact CD1-CE1 3.47Å; L297-Y327 HydrophobicContact CG-CE1 3.9Å; L297-H336 HydrophobicContact CD1-CB 3.59Å; L297-H336 WeakPolarHBondContact CD1-ND1 3.39Å
298H88.4Confident89.5Confident13 Ų1345.6 Ų45.66%0.0627%0.265CS..  trans-81.1148.3179.2-76.9-63.5000112.7V302 S317 S319 D321 S323 V325 Y327H298-V302 HydrophobicContact CB-CG2 3.84Å; H298-V302 VanDerWaalsContact CD2-CG2 3.47Å; H298-V302 WeakPolarHBondContact CD2-CG2 3.26Å; H298-S317 PolarHBondContact CD2-OG 3.18Å; H298-S317 PolarHBondContact NE2-OG 3.5Å; H298-S319 WeakPolarHBondContact CE1-CB 3.26Å; H298-S319 WeakPolarHBondContact ND1-CB 3.34Å; H298-D321 IonicContact CG-OD2 3.31Å; H298-D321 IonicContact ND1-OD1 3.72Å; H298-D321 IonicContact ND1-OD2 2.74Å; H298-D321 PolarHBondContact ND1-OD2 3.37Å; H298-D321 VanDerWaalsContact ND1-OD2 3.13Å; H298-S323 PolarHBondContact ND1-OG 2.9Å; H298-V325 WeakPolarHBondContact CE1-CG2 3.36Å; H298-Y327 PolarHBondContact CD2-OH 3.08Å; H298-Y327 VanDerWaalsContact CD2-OH 3.23Å; H298-Y327 PolarHBondContact NE2-OH 2.74Å
299T90Very high89.7Confident114 Ų11442.9 Ų42.970%0.69925%0.249SC*.SBendtrans-98.7-15.5178.357.60000113.4N279 D321N279-T299 PolarHBondContact ND2-O 3.01Å; N279-T299 VanDerWaalsContact ND2-O 3.13Å; T299-D321 PolarHBondContact N-OD2 3.16Å; T299-D321 WeakPolarHBondContact OG1-CB 3.37Å; T299-D321 PolarHBondContact OG1-OD2 2.9Å
300D92.3Very high90Very high66 Ų6646.8 Ų46.835%0.35326%0.257SS..SBendtrans-139.1179180-152.1-14000110.4N279 V302 S319 D321N279-D300 WeakPolarHBondContact OD1-CA 3.3Å; N279-D300 PolarHBondContact OD1-O 2.9Å; D300-V302 PolarHBondContact O-N 3.45Å; D300-S319 PolarHBondContact O-OG 2.9Å; D300-D321 HydrophobicContact CB-CB 3.87Å
301K93.2Very high90.1Very high88 Ų8846.1 Ų46.138%0.38326%0.256SS..  trans-52.2136.1-173.7-59.9-177.4178.9-178.70111.8L260 A277 N279 S319 Y320L260-K301 HydrophobicContact CD1-CB 4.27Å; A277-K301 HydrophobicContact CB-CD 4Å; A277-K301 HydrophobicContact CB-CG 4.14Å; N279-K301 WeakPolarHBondContact OD1-CA 3.33Å; N279-K301 PolarHBondContact OD1-N 2.91Å; K301-S319 VanDerWaalsContact O-CA 3.29Å; K301-S319 WeakPolarHBondContact O-CA 3.36Å; K301-S319 WeakPolarHBondContact O-CB 3.39Å; K301-S319 PolarHBondContact O-OG 3.46Å; K301-Y320 HydrophobicContact CB-CG 4.48Å; K301-Y320 PolarHBondContact O-N 2.91Å
302V95Very high90Very high0 Ų046.1 Ų46.10%026%0.255CS..EExtended strand (participates in β ladder)trans-96.4109.8178.3-169.90000108.6L260 A275 S276 V281 H298 D300 G318L260-V302 WeakPolarHBondContact CD1-O 3.48Å; A275-V302 HydrophobicContact CB-CB 3.9Å; A275-V302 HydrophobicContact CB-CG1 3.64Å; A275-V302 WeakPolarHBondContact CB-O 3.3Å; S276-V302 PolarHBondContact O-N 3.49Å; S276-V302 VanDerWaalsContact O-N 3.12Å; V281-V302 HydrophobicContact CG2-CB 4.23Å; V281-V302 HydrophobicContact CG2-CG1 3.76Å; V281-V302 HydrophobicContact CG2-CG2 4.05Å; H298-V302 HydrophobicContact CB-CG2 3.84Å; H298-V302 VanDerWaalsContact CD2-CG2 3.47Å; H298-V302 WeakPolarHBondContact CD2-CG2 3.26Å; D300-V302 PolarHBondContact O-N 3.45Å; V302-G318 WeakPolarHBondContact CG1-O 3.38Å
303Q93.2Very high90Very high39 Ų3944.3 Ų44.318%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-84.1-33.6-173.2-80.7-67.5-9.900114.1L260 D261 G318 Y320L260-Q303 HydrophobicContact CD1-CG 4.45Å; D261-Q303 WeakPolarHBondContact CB-O 3.31Å; Q303-G318 PolarHBondContact N-O 2.87Å; Q303-Y320 HydrophobicContact CB-CD2 4.47Å; Q303-Y320 HydrophobicContact CB-CE2 4.48Å; Q303-Y320 VanDerWaalsContact CD-CE2 3.49Å; Q303-Y320 HydrophobicContact CG-CD2 3.25Å; Q303-Y320 HydrophobicContact CG-CE2 3.13Å; Q303-Y320 HydrophobicContact CG-CG 4.29Å; Q303-Y320 PolarHBondContact NE2-OH 3.42Å
304T94.1Very high90.2Very high1 Ų143.9 Ų43.91%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-144.6148.3-169.2-173.60000111.1D261 S317 G318 V345 V348D261-T304 WeakPolarHBondContact OD2-CA 3.41Å; D261-T304 PolarHBondContact OD2-OG1 3.14Å; T304-S317 CarbonylContact O-C 3.52Å; T304-S317 VanDerWaalsContact O-CA 3.26Å; T304-S317 WeakPolarHBondContact O-CA 3.33Å; T304-G318 PolarHBondContact N-O 2.96Å; T304-G318 PolarHBondContact O-N 2.88Å; T304-V345 HydrophobicContact CG2-CG1 4.35Å; T304-V348 HydrophobicContact CG2-CB 4.03Å; T304-V348 HydrophobicContact CG2-CG2 3.74Å; T304-V348 PolarHBondContact OG1-N 3Å
305L94.9Very high90.5Very high4 Ų440.3 Ų40.32%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-147.5150.9175.280.7108.8000111.6D261 A273 S274 A275 L315 I316D261-L305 HydrophobicContact CB-CD2 4.16Å; D261-L305 WeakPolarHBondContact O-CD2 3.4Å; D261-L305 PolarHBondContact OD2-N 2.83Å; A273-L305 HydrophobicContact CB-CD1 3.4Å; A273-L305 VanDerWaalsContact CB-CD1 3.4Å; S274-L305 VanDerWaalsContact C-CD2 3.44Å; A275-L305 HydrophobicContact CB-CB 4.27Å; A275-L305 HydrophobicContact CB-CD2 3.37Å; A275-L305 HydrophobicContact CB-CG 4.4Å; L305-L315 HydrophobicContact CD1-CD1 3.75Å; L305-I316 CarbonylContact C-O 3.48Å; L305-I316 VanDerWaalsContact CA-O 3.25Å; L305-I316 WeakPolarHBondContact CA-O 3.49Å
306Q94.6Very high90.7Very high50 Ų5040.2 Ų40.223%0.23421%0.209CC..EExtended strand (participates in β ladder)trans-154.9128.2173.4-154.1-172.633.600113.3I316 W350Q306-I316 PolarHBondContact N-O 3.46Å; Q306-I316 PolarHBondContact O-N 3.26Å; Q306-W350 PolarHBondContact O-NE1 2.77Å; Q306-W350 VanDerWaalsContact O-NE1 3.16Å
307F93.9Very high91.1Very high10 Ų1036.2 Ų36.24%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-67147.2169.3-83.4-70.6000111.8S263 N265 V271 A273 L283 L315 W350S263-F307 WeakPolarHBondContact O-CD2 3.38Å; S263-F307 VanDerWaalsContact O-CE2 3.26Å; S263-F307 WeakPolarHBondContact O-CE2 3.37Å; S263-F307 PolarHBondContact OG-N 2.85Å; N265-F307 HydrophobicContact CB-CD1 4.31Å; N265-F307 HydrophobicContact CB-CD2 3.94Å; N265-F307 HydrophobicContact CB-CE1 4.4Å; N265-F307 HydrophobicContact CB-CE2 4.01Å; N265-F307 HydrophobicContact CB-CG 4.09Å; N265-F307 HydrophobicContact CB-CZ 4.25Å; V271-F307 HydrophobicContact CG1-CE2 4.49Å; V271-F307 HydrophobicContact CG1-CZ 3.87Å; A273-F307 HydrophobicContact CB-CD2 4.25Å; A273-F307 HydrophobicContact CB-CE2 3.33Å; A273-F307 HydrophobicContact CB-CZ 3.61Å; L283-F307 HydrophobicContact CD2-CZ 3.98Å; F307-L315 HydrophobicContact CD1-CB 4.22Å; F307-L315 HydrophobicContact CD1-CD1 4.04Å; F307-L315 HydrophobicContact CD2-CD1 4.28Å; F307-L315 HydrophobicContact CE1-CB 4.17Å; F307-L315 HydrophobicContact CE1-CD1 4.19Å; F307-L315 HydrophobicContact CE2-CD1 4.44Å; F307-L315 HydrophobicContact CG-CD1 4.08Å; F307-L315 HydrophobicContact CZ-CD1 4.39Å; F307-W350 VanDerWaalsContact O-CD1 3.3Å
308H91.3Very high91.5Very high6 Ų634.2 Ų34.23%0.02817%0.174CC..  trans-65.7133.9173.8-175-93.2000110.4F310 E311 T314 W350 P355H308-F310 VanDerWaalsContact C-N 3.25Å; H308-F310 AromaticContact CE1-CD2 3.98Å; H308-F310 PolarHBondContact ND1-N 2.98Å; H308-F310 VanDerWaalsContact ND1-N 3.14Å; H308-F310 PolarHBondContact O-N 3.46Å; H308-E311 HydrophobicContact CB-CB 4.25Å; H308-E311 WeakPolarHBondContact ND1-CB 3.45Å; H308-E311 PolarHBondContact ND1-N 2.87Å; H308-T314 HydrophobicContact CB-CG2 4.12Å; H308-T314 WeakPolarHBondContact CB-O 3.5Å; H308-T314 PolarHBondContact N-O 3.3Å; H308-W350 HydrophobicContact CB-CZ2 4.16Å; H308-W350 AromaticContact CD2-CD2 3.65Å; H308-W350 AromaticContact CD2-CE2 3.77Å; H308-W350 AromaticContact CD2-CE3 3.61Å; H308-W350 AromaticContact CD2-CH2 3.79Å; H308-W350 AromaticContact CD2-CZ2 3.8Å; H308-W350 AromaticContact CD2-CZ3 3.71Å; H308-P355 PolarHBondContact CD2-O 3.17Å; H308-P355 WeakPolarHBondContact NE2-CA 3.19Å; H308-P355 VanDerWaalsContact NE2-CB 3.3Å; H308-P355 WeakPolarHBondContact NE2-CB 3.36Å; H308-P355 PolarHBondContact NE2-O 3.25Å
309P86.1Confident91.8Very high33 Ų3333.6 Ų33.621%0.21417%0.171CC..SBendtrans-66.3-23.4-173.622-32.4000114.4W350 H352P309-W350 HydrophobicContact CG-CB 4.2Å; P309-H352 HydrophobicContact CB-CB 4.29Å; P309-H352 HydrophobicContact CG-CB 4.08Å
310F86.3Confident92Very high112 Ų11231.3 Ų31.349%0.49115%0.15SC..SBendtrans-122.3-2-176-52.4-82000115.2Q267 H308 H352 P355Q267-F310 VanDerWaalsContact CD-C 3.44Å; Q267-F310 PolarHBondContact NE2-O 2.95Å; Q267-F310 PolarHBondContact OE1-O 2.85Å; H308-F310 VanDerWaalsContact C-N 3.25Å; H308-F310 AromaticContact CE1-CD2 3.98Å; H308-F310 PolarHBondContact ND1-N 2.98Å; H308-F310 VanDerWaalsContact ND1-N 3.14Å; H308-F310 PolarHBondContact O-N 3.46Å; F310-H352 WeakPolarHBondContact CE2-O 3.39Å; F310-H352 WeakPolarHBondContact CZ-O 3.47Å; F310-P355 HydrophobicContact CD2-CB 4.01Å
311E86.8Confident92Very high85 Ų8529.8 Ų29.840%0.39714%0.142SC..  trans-130.3126-178-67.5-176.2177.100108.7Q267 H308 Q313 T314Q267-E311 VanDerWaalsContact OE1-C 3.23Å; H308-E311 HydrophobicContact CB-CB 4.25Å; H308-E311 WeakPolarHBondContact ND1-CB 3.45Å; H308-E311 PolarHBondContact ND1-N 2.87Å; E311-Q313 VanDerWaalsContact C-N 3.31Å; E311-Q313 PolarHBondContact O-N 2.94Å; E311-T314 PolarHBondContact OE2-OG1 2.82Å
312T85.8Confident92.1Very high47 Ų4730 Ų3029%0.28814%0.143SC..THydrogen-bonded Turntrans-66.7-32.7-177.348.60000112.8N265 Q267 S268N265-T312 PolarHBondContact ND2-O 2.91Å; Q267-T312 HydrophobicContact CB-CG2 3.31Å; Q267-T312 HydrophobicContact CG-CG2 4.33Å; Q267-T312 VanDerWaalsContact OE1-CG2 3.31Å; S268-T312 VanDerWaalsContact OG-CG2 3.24Å; S268-T312 WeakPolarHBondContact OG-CG2 3.35Å
313Q88.4Confident92Very high35 Ų3530.3 Ų30.316%0.16415%0.145CC..THydrogen-bonded Turntrans-89-9.4-170.772.8-92.6-8.900114.7E311 D328 C329 R330E311-Q313 VanDerWaalsContact C-N 3.31Å; E311-Q313 PolarHBondContact O-N 2.94Å; Q313-D328 WeakPolarHBondContact CG-OD1 3.39Å; Q313-D328 CarbonylContact O-C 3.5Å; Q313-D328 WeakPolarHBondContact O-CA 3.28Å; Q313-C329 WeakPolarHBondContact O-CB 3.5Å; Q313-C329 PolarHBondContact O-N 3.31Å; Q313-C329 PolarHBondContact O-SG 2.65Å; Q313-R330 HydrophobicContact CB-CG 3.86Å
314T91.5Very high92Very high15 Ų1528.4 Ų28.49%0.09214%0.137CC..EExtended strand (participates in β ladder)trans-104.4123.4-164.4-55.80000109.8H308 E311 L326 W350H308-T314 HydrophobicContact CB-CG2 4.12Å; H308-T314 WeakPolarHBondContact CB-O 3.5Å; H308-T314 PolarHBondContact N-O 3.3Å; E311-T314 PolarHBondContact OE2-OG1 2.82Å; T314-L326 HydrophobicContact CG2-CD1 3.38Å; T314-L326 HydrophobicContact CG2-CG 4.27Å; T314-W350 HydrophobicContact CG2-CH2 4.13Å; T314-W350 HydrophobicContact CG2-CZ2 3.76Å
315L93.1Very high92Very high0 Ų028.4 Ų28.40%014%0.137CC..EExtended strand (participates in β ladder)trans-129.7137-178.4176.565.7000109.8A273 V281 L283 L295 L305 F307 L326 Y327A273-L315 HydrophobicContact CB-CD1 4.24Å; A273-L315 HydrophobicContact CB-CD2 3.98Å; V281-L315 HydrophobicContact CG1-CD2 4.02Å; L283-L315 HydrophobicContact CD2-CD2 3.86Å; L295-L315 HydrophobicContact CD1-CD2 4.29Å; L305-L315 HydrophobicContact CD1-CD1 3.75Å; F307-L315 HydrophobicContact CD1-CB 4.22Å; F307-L315 HydrophobicContact CD1-CD1 4.04Å; F307-L315 HydrophobicContact CD2-CD1 4.28Å; F307-L315 HydrophobicContact CE1-CB 4.17Å; F307-L315 HydrophobicContact CE1-CD1 4.19Å; F307-L315 HydrophobicContact CE2-CD1 4.44Å; F307-L315 HydrophobicContact CG-CD1 4.08Å; F307-L315 HydrophobicContact CZ-CD1 4.39Å; L315-L326 CarbonylContact O-C 3.51Å; L315-L326 WeakPolarHBondContact O-CA 3.34Å; L315-Y327 HydrophobicContact CB-CD2 4.45Å; L315-Y327 HydrophobicContact CD2-CD2 4.32Å; L315-Y327 HydrophobicContact CG-CD2 4.3Å; L315-Y327 PolarHBondContact N-O 2.9Å; L315-Y327 VanDerWaalsContact N-O 3.08Å; L315-Y327 PolarHBondContact O-N 3.06Å
316I94.1Very high91.9Very high0 Ų029.4 Ų29.40%014%0.142CC..EExtended strand (participates in β ladder)trans-111141.3166.5-59.6171.7000109.6L305 Q306 A324 V325 L326 V348 W350 F358L305-I316 CarbonylContact C-O 3.48Å; L305-I316 VanDerWaalsContact CA-O 3.25Å; L305-I316 WeakPolarHBondContact CA-O 3.49Å; Q306-I316 PolarHBondContact N-O 3.46Å; Q306-I316 PolarHBondContact O-N 3.26Å; I316-A324 HydrophobicContact CG2-CB 4.36Å; I316-V325 CarbonylContact C-O 3.54Å; I316-V325 WeakPolarHBondContact CA-O 3.26Å; I316-L326 HydrophobicContact CD1-CD1 4.1Å; I316-L326 HydrophobicContact CG1-CB 4.37Å; I316-L326 HydrophobicContact CG1-CD1 3.42Å; I316-L326 VanDerWaalsContact CG1-CD1 3.42Å; I316-V348 HydrophobicContact CB-CG1 4.07Å; I316-V348 HydrophobicContact CD1-CG1 4.36Å; I316-V348 HydrophobicContact CG2-CB 4.4Å; I316-V348 HydrophobicContact CG2-CG1 3.62Å; I316-V348 HydrophobicContact CG2-CG2 4.4Å; I316-W350 HydrophobicContact CD1-CD2 3.85Å; I316-W350 HydrophobicContact CD1-CE3 4.17Å; I316-W350 HydrophobicContact CD1-CH2 3.49Å; I316-W350 VanDerWaalsContact CD1-CH2 3.49Å; I316-W350 HydrophobicContact CD1-CZ2 3.11Å; I316-W350 HydrophobicContact CD1-CZ3 3.99Å; I316-W350 HydrophobicContact CG1-CH2 4.07Å; I316-W350 HydrophobicContact CG1-CZ2 3.32Å; I316-F358 HydrophobicContact CD1-CB 3.57Å; I316-F358 HydrophobicContact CD1-CD1 3.69Å; I316-F358 HydrophobicContact CD1-CD2 3.81Å; I316-F358 HydrophobicContact CD1-CE1 4.29Å; I316-F358 HydrophobicContact CD1-CE2 4.39Å; I316-F358 HydrophobicContact CD1-CG 3.41Å; I316-F358 VanDerWaalsContact CD1-CG 3.41Å
317S94.8Very high91.7Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-121154.5163.462.60000111.9H298 T304 A324 V325 Y327H298-S317 PolarHBondContact CD2-OG 3.18Å; H298-S317 PolarHBondContact NE2-OG 3.5Å; T304-S317 CarbonylContact O-C 3.52Å; T304-S317 VanDerWaalsContact O-CA 3.26Å; T304-S317 WeakPolarHBondContact O-CA 3.33Å; S317-A324 CarbonylContact O-C 3.59Å; S317-A324 WeakPolarHBondContact O-CA 3.15Å; S317-A324 WeakPolarHBondContact O-CB 3.47Å; S317-V325 PolarHBondContact N-O 3.4Å; S317-V325 PolarHBondContact O-N 2.99Å; S317-Y327 WeakPolarHBondContact OG-CE2 3.33Å; S317-Y327 PolarHBondContact OG-OH 3.4Å
318G94.5Very high91.5Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-122.1139.2169.600000110.9V302 Q303 T304V302-G318 WeakPolarHBondContact CG1-O 3.38Å; Q303-G318 PolarHBondContact N-O 2.87Å; T304-G318 PolarHBondContact N-O 2.96Å; T304-G318 PolarHBondContact O-N 2.88Å
319S94.7Very high91.1Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-129160.4-175.9172.20000113H298 D300 K301 D321 K322 S323 V345H298-S319 WeakPolarHBondContact CE1-CB 3.26Å; H298-S319 WeakPolarHBondContact ND1-CB 3.34Å; D300-S319 PolarHBondContact O-OG 2.9Å; K301-S319 VanDerWaalsContact O-CA 3.29Å; K301-S319 WeakPolarHBondContact O-CA 3.36Å; K301-S319 WeakPolarHBondContact O-CB 3.39Å; K301-S319 PolarHBondContact O-OG 3.46Å; S319-D321 VanDerWaalsContact CB-OD1 3.32Å; S319-D321 WeakPolarHBondContact CB-OD1 3.41Å; S319-D321 PolarHBondContact O-N 3.46Å; S319-D321 VanDerWaalsContact OG-CG 3.26Å; S319-D321 PolarHBondContact OG-N 2.9Å; S319-D321 VanDerWaalsContact OG-N 3.14Å; S319-D321 PolarHBondContact OG-OD1 3.1Å; S319-K322 PolarHBondContact O-N 2.88Å; S319-S323 PolarHBondContact N-O 3.45Å; S319-V345 PolarHBondContact O-N 2.73Å
320Y93.8Very high91Very high66 Ų6636.2 Ų36.226%0.25917%0.167SC..THydrogen-bonded Turntrans-63.8-15.5168.9-86.8-154.1000113.5K301 Q303 K322 Q344K301-Y320 HydrophobicContact CB-CG 4.48Å; K301-Y320 PolarHBondContact O-N 2.91Å; Q303-Y320 HydrophobicContact CB-CD2 4.47Å; Q303-Y320 HydrophobicContact CB-CE2 4.48Å; Q303-Y320 VanDerWaalsContact CD-CE2 3.49Å; Q303-Y320 HydrophobicContact CG-CD2 3.25Å; Q303-Y320 HydrophobicContact CG-CE2 3.13Å; Q303-Y320 HydrophobicContact CG-CG 4.29Å; Q303-Y320 PolarHBondContact NE2-OH 3.42Å; Y320-K322 PolarHBondContact O-N 2.86Å; Y320-Q344 HydrophobicContact CD2-CB 4.1Å; Y320-Q344 HydrophobicContact CE2-CB 4.34Å
321D92.6Very high90.7Very high34 Ų3432.8 Ų32.818%0.18216%0.157CC..THydrogen-bonded Turntrans-71.78.4171.869.415000114.1H298 T299 D300 S319 S323H298-D321 IonicContact CG-OD2 3.31Å; H298-D321 IonicContact ND1-OD1 3.72Å; H298-D321 IonicContact ND1-OD2 2.74Å; H298-D321 PolarHBondContact ND1-OD2 3.37Å; H298-D321 VanDerWaalsContact ND1-OD2 3.13Å; T299-D321 PolarHBondContact N-OD2 3.16Å; T299-D321 WeakPolarHBondContact OG1-CB 3.37Å; T299-D321 PolarHBondContact OG1-OD2 2.9Å; D300-D321 HydrophobicContact CB-CB 3.87Å; S319-D321 VanDerWaalsContact CB-OD1 3.32Å; S319-D321 WeakPolarHBondContact CB-OD1 3.41Å; S319-D321 PolarHBondContact O-N 3.46Å; S319-D321 VanDerWaalsContact OG-CG 3.26Å; S319-D321 PolarHBondContact OG-N 2.9Å; S319-D321 VanDerWaalsContact OG-N 3.14Å; S319-D321 PolarHBondContact OG-OD1 3.1Å; D321-S323 VanDerWaalsContact CG-OG 3.3Å; D321-S323 PolarHBondContact O-N 3.42Å; D321-S323 WeakPolarHBondContact OD1-CA 3.11Å; D321-S323 VanDerWaalsContact OD1-CB 3.23Å; D321-S323 WeakPolarHBondContact OD1-CB 3.46Å; D321-S323 PolarHBondContact OD1-N 3.39Å; D321-S323 PolarHBondContact OD1-OG 3.24Å; D321-S323 PolarHBondContact OD2-OG 3.02Å
322K93.8Very high90Very high92 Ų9230 Ų3040%0.415%0.146SC..SBendtrans65.821.6-179.1-46.4-175.5171.3-160.20113S319 Y320 R340 F341 S342 G343S319-K322 PolarHBondContact O-N 2.88Å; Y320-K322 PolarHBondContact O-N 2.86Å; K322-R340 WeakPolarHBondContact O-CA 3.21Å; K322-F341 PolarHBondContact O-N 2.9Å; K322-S342 WeakPolarHBondContact CD-O 3.33Å; K322-S342 PolarHBondContact NZ-O 2.9Å; K322-G343 WeakPolarHBondContact CB-O 3.27Å; K322-G343 WeakPolarHBondContact CG-O 3.36Å
323S93.6Very high89.2Confident7 Ų732.4 Ų32.45%0.04915%0.154CC..EExtended strand (participates in β ladder)trans-117.2146.9175.879.40000112.8H298 S319 D321 W339H298-S323 PolarHBondContact ND1-OG 2.9Å; S319-S323 PolarHBondContact N-O 3.45Å; D321-S323 VanDerWaalsContact CG-OG 3.3Å; D321-S323 PolarHBondContact O-N 3.42Å; D321-S323 WeakPolarHBondContact OD1-CA 3.11Å; D321-S323 VanDerWaalsContact OD1-CB 3.23Å; D321-S323 WeakPolarHBondContact OD1-CB 3.46Å; D321-S323 PolarHBondContact OD1-N 3.39Å; D321-S323 PolarHBondContact OD1-OG 3.24Å; D321-S323 PolarHBondContact OD2-OG 3.02Å; S323-W339 CarbonylContact C-O 3.48Å; S323-W339 WeakPolarHBondContact CA-O 3.31Å; S323-W339 WeakPolarHBondContact CB-O 3.41Å
324A94.1Very high88.5Confident0 Ų037.8 Ų37.80%018%0.184CC..EExtended strand (participates in β ladder)trans-108.4138.3160.100000108.8I316 S317 I338 W339 F341I316-A324 HydrophobicContact CG2-CB 4.36Å; S317-A324 CarbonylContact O-C 3.59Å; S317-A324 WeakPolarHBondContact O-CA 3.15Å; S317-A324 WeakPolarHBondContact O-CB 3.47Å; A324-I338 WeakPolarHBondContact O-CA 3.48Å; A324-W339 PolarHBondContact N-O 3.29Å; A324-W339 PolarHBondContact O-N 2.76Å; A324-F341 HydrophobicContact CB-CE2 3.63Å; A324-F341 HydrophobicContact CB-CZ 4.29Å
325V93.1Very high88.2Confident1 Ų141 Ų411%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-121.7126.4-177.6-178.10000109.2L297 H298 I316 S317 Y327 H336 R337 I338L297-V325 HydrophobicContact CD1-CG1 4.01Å; H298-V325 WeakPolarHBondContact CE1-CG2 3.36Å; I316-V325 CarbonylContact C-O 3.54Å; I316-V325 WeakPolarHBondContact CA-O 3.26Å; S317-V325 PolarHBondContact N-O 3.4Å; S317-V325 PolarHBondContact O-N 2.99Å; V325-Y327 HydrophobicContact CB-CE1 4.46Å; V325-Y327 HydrophobicContact CB-CE2 4.01Å; V325-Y327 HydrophobicContact CG1-CD1 4.06Å; V325-Y327 HydrophobicContact CG1-CD2 4.31Å; V325-Y327 HydrophobicContact CG1-CE1 3.62Å; V325-Y327 HydrophobicContact CG1-CE2 3.87Å; V325-Y327 HydrophobicContact CG1-CG 4.38Å; V325-Y327 VanDerWaalsContact CG1-CZ 3.46Å; V325-H336 HydrophobicContact CG1-CB 4.29Å; V325-R337 CarbonylContact C-O 3.54Å; V325-R337 VanDerWaalsContact CA-O 3.28Å; V325-R337 WeakPolarHBondContact CA-O 3.48Å; V325-I338 HydrophobicContact CG1-CG1 4.39Å; V325-I338 HydrophobicContact CG2-CD1 4.43Å; V325-I338 HydrophobicContact CG2-CG1 4.06Å; V325-I338 HydrophobicContact CG2-CG2 4.16Å
326L93.1Very high87.8Confident25 Ų2544.5 Ų44.513%0.13122%0.217CC..EExtended strand (participates in β ladder)trans-93.9125.8168.8178.878.5000108.4T314 L315 I316 H336 R337 W339 W350 A372T314-L326 HydrophobicContact CG2-CD1 3.38Å; T314-L326 HydrophobicContact CG2-CG 4.27Å; L315-L326 CarbonylContact O-C 3.51Å; L315-L326 WeakPolarHBondContact O-CA 3.34Å; I316-L326 HydrophobicContact CD1-CD1 4.1Å; I316-L326 HydrophobicContact CG1-CB 4.37Å; I316-L326 HydrophobicContact CG1-CD1 3.42Å; I316-L326 VanDerWaalsContact CG1-CD1 3.42Å; L326-H336 CarbonylContact O-C 3.52Å; L326-H336 WeakPolarHBondContact O-CA 3.37Å; L326-H336 WeakPolarHBondContact O-CB 3.4Å; L326-R337 HydrophobicContact CB-CB 4.28Å; L326-R337 PolarHBondContact N-O 2.85Å; L326-R337 PolarHBondContact O-N 2.74Å; L326-W339 HydrophobicContact CB-CH2 3.76Å; L326-W339 HydrophobicContact CB-CZ3 3.53Å; L326-W339 HydrophobicContact CD2-CH2 4.04Å; L326-W350 HydrophobicContact CD1-CH2 3.74Å; L326-W350 HydrophobicContact CD1-CZ2 3.56Å; L326-A372 HydrophobicContact CD2-CB 4.17Å
327Y90.8Very high87.6Confident2 Ų249.1 Ų49.11%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-109.2144.7175.7-52-91.2000111.2L295 L297 H298 L315 S317 V325L295-Y327 HydrophobicContact CB-CD1 4.34Å; L295-Y327 HydrophobicContact CB-CE1 3.85Å; L295-Y327 HydrophobicContact CD1-CD1 3.77Å; L295-Y327 HydrophobicContact CD1-CD2 4.05Å; L295-Y327 HydrophobicContact CD1-CE1 3.95Å; L295-Y327 HydrophobicContact CD1-CE2 4.23Å; L295-Y327 HydrophobicContact CD1-CG 3.82Å; L295-Y327 HydrophobicContact CD2-CD1 4.4Å; L295-Y327 HydrophobicContact CG-CD1 4.41Å; L295-Y327 HydrophobicContact CG-CE1 4.38Å; L297-Y327 HydrophobicContact CB-CE1 4.09Å; L297-Y327 HydrophobicContact CD1-CD1 3.88Å; L297-Y327 HydrophobicContact CD1-CE1 3.47Å; L297-Y327 VanDerWaalsContact CD1-CE1 3.47Å; L297-Y327 HydrophobicContact CG-CE1 3.9Å; H298-Y327 PolarHBondContact CD2-OH 3.08Å; H298-Y327 VanDerWaalsContact CD2-OH 3.23Å; H298-Y327 PolarHBondContact NE2-OH 2.74Å; L315-Y327 HydrophobicContact CB-CD2 4.45Å; L315-Y327 HydrophobicContact CD2-CD2 4.32Å; L315-Y327 HydrophobicContact CG-CD2 4.3Å; L315-Y327 PolarHBondContact N-O 2.9Å; L315-Y327 VanDerWaalsContact N-O 3.08Å; L315-Y327 PolarHBondContact O-N 3.06Å; S317-Y327 WeakPolarHBondContact OG-CE2 3.33Å; S317-Y327 PolarHBondContact OG-OH 3.4Å; V325-Y327 HydrophobicContact CB-CE1 4.46Å; V325-Y327 HydrophobicContact CB-CE2 4.01Å; V325-Y327 HydrophobicContact CG1-CD1 4.06Å; V325-Y327 HydrophobicContact CG1-CD2 4.31Å; V325-Y327 HydrophobicContact CG1-CE1 3.62Å; V325-Y327 HydrophobicContact CG1-CE2 3.87Å; V325-Y327 HydrophobicContact CG1-CG 4.38Å; V325-Y327 VanDerWaalsContact CG1-CZ 3.46Å
328D89.3Confident87.5Confident29 Ų2952.3 Ų52.316%0.15525%0.251CS..EExtended strand (participates in β ladder)trans-95.4108.8156.6-173.1-18.7000109.2Q313 R330 S331 P332 N335Q313-D328 WeakPolarHBondContact CG-OD1 3.39Å; Q313-D328 CarbonylContact O-C 3.5Å; Q313-D328 WeakPolarHBondContact O-CA 3.28Å; D328-R330 PolarHBondContact O-N 2.98Å; D328-R330 VanDerWaalsContact O-N 3.08Å; D328-R330 WeakPolarHBondContact OD1-CB 3.5Å; D328-R330 WeakPolarHBondContact OD1-CG 3.4Å; D328-R330 PolarHBondContact OD1-N 2.74Å; D328-S331 CarbonylContact O-C 3.6Å; D328-S331 PolarHBondContact O-N 2.9Å; D328-P332 WeakPolarHBondContact O-CA 3.5Å; D328-P332 VanDerWaalsContact O-N 3.15Å; D328-N335 HydrophobicContact CB-CB 3.95Å; D328-N335 PolarHBondContact N-O 2.73Å; D328-N335 PolarHBondContact OD2-ND2 3.3Å
329C83.5Confident87.4Confident30 Ų3052.9 Ų52.920%0.20325%0.253CS..THydrogen-bonded Turntrans-60.6-17.5-178.4-61.20000113.6L283 Q313L283-C329 HydrophobicContact CD1-CB 3.78Å; Q313-C329 WeakPolarHBondContact O-CB 3.5Å; Q313-C329 PolarHBondContact O-N 3.31Å; Q313-C329 PolarHBondContact O-SG 2.65Å
330R82.9Confident87.3Confident181 Ų18162.5 Ų62.568%0.68329%0.289SS*.THydrogen-bonded Turntrans-76.2-33.2175.3-56.1176.3-162.3176.62.3112.2Q313 D328Q313-R330 HydrophobicContact CB-CG 3.86Å; D328-R330 PolarHBondContact O-N 2.98Å; D328-R330 VanDerWaalsContact O-N 3.08Å; D328-R330 WeakPolarHBondContact OD1-CB 3.5Å; D328-R330 WeakPolarHBondContact OD1-CG 3.4Å; D328-R330 PolarHBondContact OD1-N 2.74Å
331S80.9Confident87.2Confident39 Ų3960.5 Ų60.527%0.27328%0.282SS..SBendtrans-140.468.5-177.459.10000109.8D328 Q333 D334 N335D328-S331 CarbonylContact O-C 3.6Å; D328-S331 PolarHBondContact O-N 2.9Å; S331-Q333 PolarHBondContact O-N 3.08Å; S331-Q333 VanDerWaalsContact O-N 3.13Å; S331-D334 PolarHBondContact O-N 2.87Å; S331-N335 PolarHBondContact O-N 3.26Å
332P70.9Confident87Confident26 Ų2661.4 Ų61.417%0.16929%0.291CS..THydrogen-bonded Turntrans-62.6-26.3-167.117.5-29.9000115.1L295 D328L295-P332 HydrophobicContact CD2-CB 3.06Å; L295-P332 HydrophobicContact CD2-CG 3.98Å; D328-P332 WeakPolarHBondContact O-CA 3.5Å; D328-P332 VanDerWaalsContact O-N 3.15Å
333Q70.4Confident86.9Confident98 Ų9857 Ų5746%0.45827%0.272SS..THydrogen-bonded Turntrans-87.8-32.6-177.3-61.6-63.5-27.800112.4S331 H336S331-Q333 PolarHBondContact O-N 3.08Å; S331-Q333 VanDerWaalsContact O-N 3.13Å; Q333-H336 PolarHBondContact O-ND1 2.9Å
334D73.9Confident86.9Confident149 Ų14959 Ų5980%0.79728%0.28SS*.THydrogen-bonded Turntrans-96.2-27-169.7-66.5-34.2000113.7S331S331-D334 PolarHBondContact O-N 2.87Å
335N83.8Confident87Confident83 Ų8359 Ų5944%0.44428%0.28SS..SBendtrans-124.588.2-174.3-169.319.1000110.9D328 S331D328-N335 HydrophobicContact CB-CB 3.95Å; D328-N335 PolarHBondContact N-O 2.73Å; D328-N335 PolarHBondContact OD2-ND2 3.3Å; S331-N335 PolarHBondContact O-N 3.26Å
336H85.8Confident87Confident72 Ų7260 Ų6033%0.33329%0.285SS..EExtended strand (participates in β ladder)trans-136.5152.9175.260.9-99.7000111.8L297 V325 L326 Q333L297-H336 HydrophobicContact CD1-CB 3.59Å; L297-H336 WeakPolarHBondContact CD1-ND1 3.39Å; V325-H336 HydrophobicContact CG1-CB 4.29Å; L326-H336 CarbonylContact O-C 3.52Å; L326-H336 WeakPolarHBondContact O-CA 3.37Å; L326-H336 WeakPolarHBondContact O-CB 3.4Å; Q333-H336 PolarHBondContact O-ND1 2.9Å
337R89.8Confident87.1Confident98 Ų9862.3 Ų62.337%0.3729%0.292SS..EExtended strand (participates in β ladder)trans-126142.9171.9-71.4-176.1163.7-140.6-8.3110V325 L326 W339 A372 R373V325-R337 CarbonylContact C-O 3.54Å; V325-R337 VanDerWaalsContact CA-O 3.28Å; V325-R337 WeakPolarHBondContact CA-O 3.48Å; L326-R337 HydrophobicContact CB-CB 4.28Å; L326-R337 PolarHBondContact N-O 2.85Å; L326-R337 PolarHBondContact O-N 2.74Å; R337-W339 HydrophobicContact CB-CH2 3.58Å; R337-W339 HydrophobicContact CB-CZ2 4.1Å; R337-W339 HydrophobicContact CB-CZ3 3.87Å; R337-A372 WeakPolarHBondContact CD-O 3.16Å; R337-A372 PolarHBondContact NH1-O 3.37Å; R337-R373 PolarHBondContact NH1-O 3.08Å
338I91.7Very high87.3Confident67 Ų6762.4 Ų62.434%0.34429%0.292SS..EExtended strand (participates in β ladder)trans-127.6126-175.2-48.4-174000109.1A324 V325A324-I338 WeakPolarHBondContact O-CA 3.48Å; V325-I338 HydrophobicContact CG1-CG1 4.39Å; V325-I338 HydrophobicContact CG2-CD1 4.43Å; V325-I338 HydrophobicContact CG2-CG1 4.06Å; V325-I338 HydrophobicContact CG2-CG2 4.16Å
339W93.4Very high87.5Confident12 Ų1261.3 Ų61.35%0.04529%0.287CS..EExtended strand (participates in β ladder)trans-109.3143.8169-61.1-93.9000109.3S323 A324 L326 R337 F341 F358 L370 S374S323-W339 CarbonylContact C-O 3.48Å; S323-W339 WeakPolarHBondContact CA-O 3.31Å; S323-W339 WeakPolarHBondContact CB-O 3.41Å; A324-W339 PolarHBondContact N-O 3.29Å; A324-W339 PolarHBondContact O-N 2.76Å; L326-W339 HydrophobicContact CB-CH2 3.76Å; L326-W339 HydrophobicContact CB-CZ3 3.53Å; L326-W339 HydrophobicContact CD2-CH2 4.04Å; R337-W339 HydrophobicContact CB-CH2 3.58Å; R337-W339 HydrophobicContact CB-CZ2 4.1Å; R337-W339 HydrophobicContact CB-CZ3 3.87Å; W339-F341 HydrophobicContact CB-CE2 4.22Å; W339-F341 HydrophobicContact CB-CZ 3.96Å; W339-F358 HydrophobicContact CD2-CE1 4.4Å; W339-F358 AromaticContact CD2-CZ 3.8Å; W339-F358 HydrophobicContact CD2-CZ 3.8Å; W339-F358 HydrophobicContact CE3-CE1 4.33Å; W339-F358 AromaticContact CE3-CZ 3.71Å; W339-F358 HydrophobicContact CE3-CZ 3.71Å; W339-F358 HydrophobicContact CG-CZ 4.42Å; W339-F358 AromaticContact CH2-CE1 3.92Å; W339-F358 HydrophobicContact CH2-CE1 3.92Å; W339-F358 HydrophobicContact CH2-CZ 4.15Å; W339-F358 AromaticContact CZ2-CE1 3.98Å; W339-F358 HydrophobicContact CZ2-CE1 3.98Å; W339-F358 HydrophobicContact CZ2-CZ 4.22Å; W339-F358 HydrophobicContact CZ3-CE1 4.1Å; W339-F358 AromaticContact CZ3-CZ 3.9Å; W339-F358 HydrophobicContact CZ3-CZ 3.9Å; W339-L370 HydrophobicContact CB-CD2 4.33Å; W339-L370 VanDerWaalsContact CD1-CD2 3.41Å; W339-L370 HydrophobicContact CG-CD2 3.88Å; W339-S374 PolarHBondContact NE1-O 3.07Å
340R92.6Very high87.9Confident202 Ų20260.3 Ų60.376%0.76228%0.279SS*.EExtended strand (participates in β ladder)trans-114.8136.1177.1-72.4-173.2169.688.92.8110.6K322K322-R340 WeakPolarHBondContact O-CA 3.21Å
341F91.8Very high88.2Confident23 Ų2352.4 Ų52.410%0.10125%0.25CS..  trans-114.3172.6-178.1-56.8-74.2000111.7K322 A324 W339 V345 A360 T362 Y368 L370K322-F341 PolarHBondContact O-N 2.9Å; A324-F341 HydrophobicContact CB-CE2 3.63Å; A324-F341 HydrophobicContact CB-CZ 4.29Å; W339-F341 HydrophobicContact CB-CE2 4.22Å; W339-F341 HydrophobicContact CB-CZ 3.96Å; F341-V345 HydrophobicContact CD2-CG2 3.5Å; F341-V345 HydrophobicContact CE2-CG2 3.98Å; F341-V345 HydrophobicContact CG-CG2 4.43Å; F341-A360 HydrophobicContact CE1-CB 4.35Å; F341-A360 HydrophobicContact CE2-CB 4.16Å; F341-A360 HydrophobicContact CZ-CB 3.83Å; F341-T362 HydrophobicContact CB-CG2 4.02Å; F341-T362 HydrophobicContact CG-CG2 4.39Å; F341-Y368 HydrophobicContact CB-CE2 4.35Å; F341-Y368 AromaticContact CD1-CD1 3.97Å; F341-Y368 HydrophobicContact CD1-CD1 3.97Å; F341-Y368 AromaticContact CD1-CD2 3.56Å; F341-Y368 HydrophobicContact CD1-CD2 3.56Å; F341-Y368 HydrophobicContact CD1-CE1 4.23Å; F341-Y368 AromaticContact CD1-CE2 3.85Å; F341-Y368 HydrophobicContact CD1-CE2 3.85Å; F341-Y368 AromaticContact CD1-CG 3.64Å; F341-Y368 HydrophobicContact CD1-CG 3.64Å; F341-Y368 HydrophobicContact CE1-CD1 4.2Å; F341-Y368 AromaticContact CE1-CD2 4Å; F341-Y368 HydrophobicContact CE1-CD2 4Å; F341-Y368 AromaticContact CE1-CG 3.72Å; F341-Y368 HydrophobicContact CE1-CG 3.72Å; F341-Y368 HydrophobicContact CG-CD2 4.4Å; F341-Y368 HydrophobicContact CG-CE2 4.45Å; F341-L370 HydrophobicContact CE1-CD1 3.82Å; F341-L370 HydrophobicContact CE1-CD2 4.33Å; F341-L370 HydrophobicContact CZ-CD1 3.88Å
342S88.8Confident88.4Confident54 Ų5452.7 Ų52.738%0.37825%0.247SC..SBendtrans-69.4-39.3177.561.20000112.7K322 D364 Y368K322-S342 WeakPolarHBondContact CD-O 3.33Å; K322-S342 PolarHBondContact NZ-O 2.9Å; S342-D364 WeakPolarHBondContact CB-OD2 3.34Å; S342-D364 PolarHBondContact OG-OD2 2.84Å; S342-Y368 PolarHBondContact OG-OH 3.39Å; S342-Y368 VanDerWaalsContact OG-OH 3.1Å
343G90.7Very high89.1Confident0 Ų053.2 Ų53.20%025%0.247CC..SBendtrans-122.7177.6-174.600000112.6K322 D364K322-G343 WeakPolarHBondContact CB-O 3.27Å; K322-G343 WeakPolarHBondContact CG-O 3.36Å; G343-D364 VanDerWaalsContact CA-OD2 3.27Å; G343-D364 WeakPolarHBondContact CA-OD2 3.17Å; G343-D364 PolarHBondContact N-OD2 3.21Å; G343-D364 VanDerWaalsContact N-OD2 3.17Å
344Q94.2Very high89.8Confident47 Ų4750 Ų5022%0.2224%0.235CC..  trans-64.6143.5176.2-57.4177.654.400109.3Y320 T362 E363Y320-Q344 HydrophobicContact CD2-CB 4.1Å; Y320-Q344 HydrophobicContact CE2-CB 4.34Å; Q344-T362 CarbonylContact O-C 3.43Å; Q344-T362 WeakPolarHBondContact O-CA 3.46Å; Q344-T362 WeakPolarHBondContact O-CB 3.25Å; Q344-E363 HydrophobicContact CB-CB 4.19Å; Q344-E363 WeakPolarHBondContact CG-OE2 3.25Å; Q344-E363 PolarHBondContact NE2-OE2 2.9Å; Q344-E363 PolarHBondContact O-N 3.31Å
345V94.9Very high90.1Very high0 Ų045.6 Ų45.60%022%0.215CC..EExtended strand (participates in β ladder)trans-88120.7-179.8-177.70000109.1T304 S319 F341 V348 A360 S361T304-V345 HydrophobicContact CG2-CG1 4.35Å; S319-V345 PolarHBondContact O-N 2.73Å; F341-V345 HydrophobicContact CD2-CG2 3.5Å; F341-V345 HydrophobicContact CE2-CG2 3.98Å; F341-V345 HydrophobicContact CG-CG2 4.43Å; V345-V348 HydrophobicContact CG1-CG2 3.69Å; V345-A360 HydrophobicContact CG1-CB 4.46Å; V345-S361 WeakPolarHBondContact CA-O 3.28Å
346E94.1Very high90.3Very high23 Ų2343.3 Ų43.311%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-92.5-49.1-177.5-71.2-57128.200111.9S361 E387 V388E346-S361 PolarHBondContact N-O 3.05Å; E346-E387 HydrophobicContact CG-CB 4.29Å; E346-V388 WeakPolarHBondContact CB-O 3.43Å
347R94.3Very high90.5Very high73 Ų7341.3 Ų41.328%0.27520%0.197SC..EExtended strand (participates in β ladder)trans-140.5141.7-179.2-148.978.7-173.517312.2110.9D261 A360 S361 L391D261-R347 IonicContact OD1-CZ 3.6Å; D261-R347 IonicContact OD1-NH1 3.31Å; D261-R347 IonicContact OD1-NH2 2.68Å; D261-R347 PolarHBondContact OD1-NH2 2.93Å; D261-R347 IonicContact OD2-CZ 2.62Å; D261-R347 IonicContact OD2-NH2 3.51Å; D261-R347 PolarHBondContact OD2-NH2 3.43Å; R347-A360 WeakPolarHBondContact O-CA 3.5Å; R347-S361 WeakPolarHBondContact CA-OG 3.33Å; R347-S361 VanDerWaalsContact CB-OG 3.29Å; R347-S361 WeakPolarHBondContact CB-OG 3.41Å; R347-S361 PolarHBondContact N-OG 3.16Å; R347-S361 PolarHBondContact O-N 2.85Å; R347-S361 PolarHBondContact O-OG 3.05Å; R347-L391 HydrophobicContact CB-CB 3.94Å; R347-L391 HydrophobicContact CG-CB 4.18Å
348V94.7Very high90.7Very high4 Ų436.7 Ų36.72%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-120137.2169.9178.10000109.2T304 I316 V345 F358 L359 A360T304-V348 HydrophobicContact CG2-CB 4.03Å; T304-V348 HydrophobicContact CG2-CG2 3.74Å; T304-V348 PolarHBondContact OG1-N 3Å; I316-V348 HydrophobicContact CB-CG1 4.07Å; I316-V348 HydrophobicContact CD1-CG1 4.36Å; I316-V348 HydrophobicContact CG2-CB 4.4Å; I316-V348 HydrophobicContact CG2-CG1 3.62Å; I316-V348 HydrophobicContact CG2-CG2 4.4Å; V345-V348 HydrophobicContact CG1-CG2 3.69Å; V348-F358 HydrophobicContact CG1-CD2 4.19Å; V348-L359 CarbonylContact C-O 3.09Å; V348-L359 WeakPolarHBondContact CA-O 3.39Å; V348-A360 HydrophobicContact CG2-CB 4.22Å
349T93.7Very high90.8Very high7 Ų733.5 Ų33.54%0.04316%0.163CC..EExtended strand (participates in β ladder)trans-139.4134.9174-160.20000112.6F358 L359 L391T349-F358 CarbonylContact O-C 3.55Å; T349-F358 WeakPolarHBondContact O-CA 3.18Å; T349-L359 HydrophobicContact CG2-CB 3.93Å; T349-L359 HydrophobicContact CG2-CD1 4Å; T349-L359 PolarHBondContact N-O 2.99Å; T349-L359 PolarHBondContact O-N 2.83Å; T349-L391 HydrophobicContact CG2-CD2 3.82Å; T349-L391 HydrophobicContact CG2-CG 3.78Å
350W92.9Very high90.9Very high8 Ų832.9 Ų32.93%0.0316%0.161CC..EExtended strand (participates in β ladder)trans-75.5139.9173.5-79.2107000110.8Q306 F307 H308 P309 T314 I316 L326 H352 P355 F358 A372Q306-W350 PolarHBondContact O-NE1 2.77Å; Q306-W350 VanDerWaalsContact O-NE1 3.16Å; F307-W350 VanDerWaalsContact O-CD1 3.3Å; H308-W350 HydrophobicContact CB-CZ2 4.16Å; H308-W350 AromaticContact CD2-CD2 3.65Å; H308-W350 AromaticContact CD2-CE2 3.77Å; H308-W350 AromaticContact CD2-CE3 3.61Å; H308-W350 AromaticContact CD2-CH2 3.79Å; H308-W350 AromaticContact CD2-CZ2 3.8Å; H308-W350 AromaticContact CD2-CZ3 3.71Å; P309-W350 HydrophobicContact CG-CB 4.2Å; T314-W350 HydrophobicContact CG2-CH2 4.13Å; T314-W350 HydrophobicContact CG2-CZ2 3.76Å; I316-W350 HydrophobicContact CD1-CD2 3.85Å; I316-W350 HydrophobicContact CD1-CE3 4.17Å; I316-W350 HydrophobicContact CD1-CH2 3.49Å; I316-W350 VanDerWaalsContact CD1-CH2 3.49Å; I316-W350 HydrophobicContact CD1-CZ2 3.11Å; I316-W350 HydrophobicContact CD1-CZ3 3.99Å; I316-W350 HydrophobicContact CG1-CH2 4.07Å; I316-W350 HydrophobicContact CG1-CZ2 3.32Å; L326-W350 HydrophobicContact CD1-CH2 3.74Å; L326-W350 HydrophobicContact CD1-CZ2 3.56Å; W350-H352 PolarHBondContact O-N 2.69Å; W350-H352 VanDerWaalsContact O-N 3.16Å; W350-P355 VanDerWaalsContact CZ3-O 3.3Å; W350-P355 WeakPolarHBondContact CZ3-O 3.39Å; W350-F358 HydrophobicContact CD2-CB 4.16Å; W350-F358 HydrophobicContact CE3-CB 3.74Å; W350-F358 HydrophobicContact CZ3-CB 4.05Å; W350-F358 HydrophobicContact CZ3-CD1 4.33Å; W350-A372 HydrophobicContact CH2-CB 4.1Å; W350-A372 HydrophobicContact CZ3-CB 4.25Å
351N89.8Confident91Very high15 Ų1523.3 Ų23.38%0.0812%0.124CC..  trans-80.199.7169.4-168.7-19.5000110.1F353 S354 N357 L393N351-F353 PolarHBondContact O-N 2.91Å; N351-F353 VanDerWaalsContact O-N 3.11Å; N351-F353 VanDerWaalsContact OD1-CB 3.31Å; N351-F353 WeakPolarHBondContact OD1-CB 3.35Å; N351-F353 WeakPolarHBondContact OD1-CD2 3.24Å; N351-F353 PolarHBondContact OD1-N 2.87Å; N351-S354 WeakPolarHBondContact CB-OG 3.29Å; N351-S354 PolarHBondContact ND2-OG 2.97Å; N351-S354 VanDerWaalsContact ND2-OG 3.07Å; N351-S354 CarbonylContact O-C 3.55Å; N351-S354 PolarHBondContact O-N 2.78Å; N351-S354 PolarHBondContact OD1-N 2.95Å; N351-N357 HydrophobicContact CB-CB 4.14Å; N351-N357 VanDerWaalsContact CB-O 3.27Å; N351-N357 WeakPolarHBondContact CB-O 3.43Å; N351-N357 PolarHBondContact N-O 3.39Å; N351-L393 HydrophobicContact CB-CD1 3.96Å
352H84.3Confident91.1Very high46 Ų4622.2 Ų22.221%0.21312%0.12CC..THydrogen-bonded Turntrans-66.6-8.3177.464.4-85.8000114.1P309 F310 W350 S394 S395P309-H352 HydrophobicContact CB-CB 4.29Å; P309-H352 HydrophobicContact CG-CB 4.08Å; F310-H352 WeakPolarHBondContact CE2-O 3.39Å; F310-H352 WeakPolarHBondContact CZ-O 3.47Å; W350-H352 PolarHBondContact O-N 2.69Å; W350-H352 VanDerWaalsContact O-N 3.16Å; H352-S394 PolarHBondContact CE1-O 3.42Å; H352-S394 PolarHBondContact NE2-O 3.23Å; H352-S394 VanDerWaalsContact NE2-O 3.09Å; H352-S395 PolarHBondContact NE2-O 3.2Å
353F85.1Confident91.4Very high36 Ų3623.1 Ų23.116%0.15812%0.118CC..THydrogen-bonded Turntrans-87.8-25.7169.8-59.2-74.8000113.2N351 S394 Q396 I397 K398 L476N351-F353 PolarHBondContact O-N 2.91Å; N351-F353 VanDerWaalsContact O-N 3.11Å; N351-F353 VanDerWaalsContact OD1-CB 3.31Å; N351-F353 WeakPolarHBondContact OD1-CB 3.35Å; N351-F353 WeakPolarHBondContact OD1-CD2 3.24Å; N351-F353 PolarHBondContact OD1-N 2.87Å; F353-S394 WeakPolarHBondContact CE2-O 3.46Å; F353-S394 WeakPolarHBondContact CZ-O 3.44Å; F353-Q396 VanDerWaalsContact CZ-C 3.49Å; F353-I397 VanDerWaalsContact CE2-O 3.29Å; F353-I397 WeakPolarHBondContact CE2-O 3.14Å; F353-I397 WeakPolarHBondContact CZ-O 3.47Å; F353-K398 HydrophobicContact CB-CG 4Å; F353-K398 HydrophobicContact CD1-CB 4.27Å; F353-K398 HydrophobicContact CD1-CD 4.08Å; F353-K398 HydrophobicContact CD1-CG 3.15Å; F353-K398 HydrophobicContact CD2-CG 4.19Å; F353-K398 HydrophobicContact CE1-CB 4.4Å; F353-K398 HydrophobicContact CE1-CG 3.53Å; F353-K398 HydrophobicContact CE2-CG 4.49Å; F353-K398 HydrophobicContact CG-CB 4.38Å; F353-K398 HydrophobicContact CG-CG 3.53Å; F353-K398 HydrophobicContact CZ-CG 4.21Å; F353-L476 HydrophobicContact CD1-CD1 3.18Å; F353-L476 HydrophobicContact CE1-CB 4.11Å; F353-L476 HydrophobicContact CE1-CD1 3.26Å; F353-L476 HydrophobicContact CE1-CG 4.3Å; F353-L476 HydrophobicContact CG-CD1 4.46Å
354S85.4Confident91.5Very high31 Ų3126.3 Ų26.322%0.21714%0.135CC..SBendtrans-136.794.6-178.660.20000108.5N351 C356 N357N351-S354 WeakPolarHBondContact CB-OG 3.29Å; N351-S354 PolarHBondContact ND2-OG 2.97Å; N351-S354 VanDerWaalsContact ND2-OG 3.07Å; N351-S354 CarbonylContact O-C 3.55Å; N351-S354 PolarHBondContact O-N 2.78Å; N351-S354 PolarHBondContact OD1-N 2.95Å; S354-C356 PolarHBondContact O-N 3.14Å; S354-N357 PolarHBondContact O-N 2.98Å; S354-N357 WeakPolarHBondContact OG-CB 3.49Å; S354-N357 PolarHBondContact OG-ND2 3.3Å; S354-N357 VanDerWaalsContact OG-ND2 3.1Å
355P81.2Confident91.4Very high56 Ų5624.1 Ų24.136%0.36413%0.125SC..THydrogen-bonded Turntrans-58.7-23.9-169.521.6-33.2000113.4H308 F310 W350 N357H308-P355 PolarHBondContact CD2-O 3.17Å; H308-P355 WeakPolarHBondContact NE2-CA 3.19Å; H308-P355 VanDerWaalsContact NE2-CB 3.3Å; H308-P355 WeakPolarHBondContact NE2-CB 3.36Å; H308-P355 PolarHBondContact NE2-O 3.25Å; F310-P355 HydrophobicContact CD2-CB 4.01Å; W350-P355 VanDerWaalsContact CZ3-O 3.3Å; W350-P355 WeakPolarHBondContact CZ3-O 3.39Å; P355-N357 VanDerWaalsContact C-N 3.31Å; P355-N357 PolarHBondContact O-N 3.16Å
356C86.8Confident91.4Very high36 Ų3627 Ų2724%0.24314%0.138CC..THydrogen-bonded Turntrans-77.3-15.9178.6-50.30000113.4S354 D371 A372S354-C356 PolarHBondContact O-N 3.14Å; C356-D371 WeakPolarHBondContact CB-OD1 3.46Å; C356-D371 CarbonylContact O-C 3.55Å; C356-D371 WeakPolarHBondContact O-CA 3.23Å; C356-A372 WeakPolarHBondContact O-CB 3.46Å; C356-A372 PolarHBondContact O-N 2.88Å
357N91.4Very high91.4Very high30 Ų3026 Ų2616%0.1613%0.133CC..EExtended strand (participates in β ladder)trans-105.3140.6-172.9-58.1-19.9000111.8N351 S354 P355 L370N351-N357 HydrophobicContact CB-CB 4.14Å; N351-N357 VanDerWaalsContact CB-O 3.27Å; N351-N357 WeakPolarHBondContact CB-O 3.43Å; N351-N357 PolarHBondContact N-O 3.39Å; S354-N357 PolarHBondContact O-N 2.98Å; S354-N357 WeakPolarHBondContact OG-CB 3.49Å; S354-N357 PolarHBondContact OG-ND2 3.3Å; S354-N357 VanDerWaalsContact OG-ND2 3.1Å; P355-N357 VanDerWaalsContact C-N 3.31Å; P355-N357 PolarHBondContact O-N 3.16Å; N357-L370 CarbonylContact C-O 3.57Å; N357-L370 WeakPolarHBondContact CA-O 3.16Å
358F93.5Very high91.4Very high0 Ų023.9 Ų23.90%013%0.125CC..EExtended strand (participates in β ladder)trans-131.116117069.9-86.4000110.4I316 W339 V348 T349 W350 C369 L370 A372I316-F358 HydrophobicContact CD1-CB 3.57Å; I316-F358 HydrophobicContact CD1-CD1 3.69Å; I316-F358 HydrophobicContact CD1-CD2 3.81Å; I316-F358 HydrophobicContact CD1-CE1 4.29Å; I316-F358 HydrophobicContact CD1-CE2 4.39Å; I316-F358 HydrophobicContact CD1-CG 3.41Å; I316-F358 VanDerWaalsContact CD1-CG 3.41Å; W339-F358 HydrophobicContact CD2-CE1 4.4Å; W339-F358 AromaticContact CD2-CZ 3.8Å; W339-F358 HydrophobicContact CD2-CZ 3.8Å; W339-F358 HydrophobicContact CE3-CE1 4.33Å; W339-F358 AromaticContact CE3-CZ 3.71Å; W339-F358 HydrophobicContact CE3-CZ 3.71Å; W339-F358 HydrophobicContact CG-CZ 4.42Å; W339-F358 AromaticContact CH2-CE1 3.92Å; W339-F358 HydrophobicContact CH2-CE1 3.92Å; W339-F358 HydrophobicContact CH2-CZ 4.15Å; W339-F358 AromaticContact CZ2-CE1 3.98Å; W339-F358 HydrophobicContact CZ2-CE1 3.98Å; W339-F358 HydrophobicContact CZ2-CZ 4.22Å; W339-F358 HydrophobicContact CZ3-CE1 4.1Å; W339-F358 AromaticContact CZ3-CZ 3.9Å; W339-F358 HydrophobicContact CZ3-CZ 3.9Å; V348-F358 HydrophobicContact CG1-CD2 4.19Å; T349-F358 CarbonylContact O-C 3.55Å; T349-F358 WeakPolarHBondContact O-CA 3.18Å; W350-F358 HydrophobicContact CD2-CB 4.16Å; W350-F358 HydrophobicContact CE3-CB 3.74Å; W350-F358 HydrophobicContact CZ3-CB 4.05Å; W350-F358 HydrophobicContact CZ3-CD1 4.33Å; F358-C369 WeakPolarHBondContact O-CA 3.15Å; F358-L370 HydrophobicContact CD1-CB 4.34Å; F358-L370 HydrophobicContact CD2-CD1 4.36Å; F358-L370 HydrophobicContact CE1-CB 3.76Å; F358-L370 HydrophobicContact CE2-CB 4.26Å; F358-L370 HydrophobicContact CE2-CD1 3.69Å; F358-L370 HydrophobicContact CZ-CB 3.72Å; F358-L370 HydrophobicContact CZ-CD1 3.88Å; F358-L370 HydrophobicContact CZ-CD2 4.44Å; F358-L370 HydrophobicContact CZ-CG 4.22Å; F358-L370 PolarHBondContact N-O 2.65Å; F358-L370 PolarHBondContact O-N 3.24Å; F358-A372 HydrophobicContact CD1-CB 4.35Å; F358-A372 HydrophobicContact CE1-CB 4.42Å
359L94.1Very high91.3Very high0 Ų023.9 Ų23.90%013%0.125CC..EExtended strand (participates in β ladder)trans-118.6137.3178.5-66.6153.3000108.4V348 T349 V367 Y368 C369 F379 L391 L393 L401 I415V348-L359 CarbonylContact C-O 3.09Å; V348-L359 WeakPolarHBondContact CA-O 3.39Å; T349-L359 HydrophobicContact CG2-CB 3.93Å; T349-L359 HydrophobicContact CG2-CD1 4Å; T349-L359 PolarHBondContact N-O 2.99Å; T349-L359 PolarHBondContact O-N 2.83Å; L359-V367 HydrophobicContact CD2-CG1 4.12Å; L359-Y368 CarbonylContact C-O 3.57Å; L359-Y368 VanDerWaalsContact CA-O 3.24Å; L359-Y368 WeakPolarHBondContact CA-O 3.31Å; L359-C369 HydrophobicContact CD2-CB 3.52Å; L359-F379 HydrophobicContact CD2-CZ 4.11Å; L359-L391 HydrophobicContact CB-CD2 3.84Å; L359-L393 HydrophobicContact CD1-CD1 3.9Å; L359-L393 HydrophobicContact CD1-CD2 3.97Å; L359-L393 HydrophobicContact CD1-CG 4.01Å; L359-L401 HydrophobicContact CD1-CD1 3.92Å; L359-I415 HydrophobicContact CD1-CD1 4.28Å
360A94.6Very high91.2Very high0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-125.9128.9173.900000109.2F341 V345 R347 V348 V367 Y368F341-A360 HydrophobicContact CE1-CB 4.35Å; F341-A360 HydrophobicContact CE2-CB 4.16Å; F341-A360 HydrophobicContact CZ-CB 3.83Å; V345-A360 HydrophobicContact CG1-CB 4.46Å; R347-A360 WeakPolarHBondContact O-CA 3.5Å; V348-A360 HydrophobicContact CG2-CB 4.22Å; A360-V367 CarbonylContact O-C 3.51Å; A360-V367 WeakPolarHBondContact O-CA 3.48Å; A360-Y368 PolarHBondContact N-O 3Å; A360-Y368 PolarHBondContact O-N 2.72Å
361S95.1Very high91.2Very high0 Ų024.4 Ų24.40%013%0.128CC..EExtended strand (participates in β ladder)trans-98.2151172.265.90000111V345 E346 R347 F366 V388V345-S361 WeakPolarHBondContact CA-O 3.28Å; E346-S361 PolarHBondContact N-O 3.05Å; R347-S361 WeakPolarHBondContact CA-OG 3.33Å; R347-S361 VanDerWaalsContact CB-OG 3.29Å; R347-S361 WeakPolarHBondContact CB-OG 3.41Å; R347-S361 PolarHBondContact N-OG 3.16Å; R347-S361 PolarHBondContact O-N 2.85Å; R347-S361 PolarHBondContact O-OG 3.05Å; S361-F366 WeakPolarHBondContact CA-O 3.46Å; S361-V388 WeakPolarHBondContact CB-O 3.4Å; S361-V388 PolarHBondContact OG-O 2.99Å
362T94.6Very high91Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-126.3159.1-179.360.40000113F341 Q344 D364 G365 F366 Y368 V388F341-T362 HydrophobicContact CB-CG2 4.02Å; F341-T362 HydrophobicContact CG-CG2 4.39Å; Q344-T362 CarbonylContact O-C 3.43Å; Q344-T362 WeakPolarHBondContact O-CA 3.46Å; Q344-T362 WeakPolarHBondContact O-CB 3.25Å; T362-D364 PolarHBondContact O-N 3.05Å; T362-G365 PolarHBondContact O-N 3.35Å; T362-G365 VanDerWaalsContact O-N 3.14Å; T362-F366 PolarHBondContact N-O 3.48Å; T362-F366 WeakPolarHBondContact OG1-CB 3.48Å; T362-F366 PolarHBondContact OG1-N 2.88Å; T362-F366 PolarHBondContact OG1-O 3.25Å; T362-F366 VanDerWaalsContact OG1-O 3.09Å; T362-Y368 HydrophobicContact CG2-CD2 4Å; T362-Y368 HydrophobicContact CG2-CE2 3.64Å; T362-V388 PolarHBondContact O-N 2.62Å
363E93.9Very high91.2Very high74 Ų7430 Ų3035%0.34615%0.149SC..THydrogen-bonded Turntrans-55.9-33.7172.1-173.7-169.5-17900112.7Q344 G365 E386 E387Q344-E363 HydrophobicContact CB-CB 4.19Å; Q344-E363 WeakPolarHBondContact CG-OE2 3.25Å; Q344-E363 PolarHBondContact NE2-OE2 2.9Å; Q344-E363 PolarHBondContact O-N 3.31Å; E363-G365 PolarHBondContact O-N 3.12Å; E363-E386 CarbonylContact O-C 3.56Å; E363-E387 HydrophobicContact CB-CB 4.39Å; E363-E387 HydrophobicContact CG-CB 4.19Å; E363-E387 WeakPolarHBondContact O-CA 3.5Å; E363-E387 PolarHBondContact O-N 2.99Å; E363-E387 VanDerWaalsContact O-N 3.1Å
364D92.4Very high91.2Very high67 Ų6730.4 Ų30.436%0.35816%0.157SC..THydrogen-bonded Turntrans-72.13.8179.6-65.1-27.3000113.8S342 G343 T362 F366S342-D364 WeakPolarHBondContact CB-OD2 3.34Å; S342-D364 PolarHBondContact OG-OD2 2.84Å; G343-D364 VanDerWaalsContact CA-OD2 3.27Å; G343-D364 WeakPolarHBondContact CA-OD2 3.17Å; G343-D364 PolarHBondContact N-OD2 3.21Å; G343-D364 VanDerWaalsContact N-OD2 3.17Å; T362-D364 PolarHBondContact O-N 3.05Å; D364-F366 VanDerWaalsContact C-N 3.33Å; D364-F366 HydrophobicContact CB-CD2 3.69Å; D364-F366 HydrophobicContact CB-CE2 4.11Å; D364-F366 WeakPolarHBondContact O-CD2 3.34Å; D364-F366 PolarHBondContact O-N 3.04Å
365G92.1Very high91Very high0 Ų034.8 Ų34.80%018%0.178CC..SBendtrans82.15.9-178.600000115.5T362 E363 A383 H384 E386T362-G365 PolarHBondContact O-N 3.35Å; T362-G365 VanDerWaalsContact O-N 3.14Å; E363-G365 PolarHBondContact O-N 3.12Å; G365-A383 PolarHBondContact O-N 3.17Å; G365-H384 WeakPolarHBondContact CA-O 3.43Å; G365-H384 PolarHBondContact O-N 3.13Å; G365-H384 VanDerWaalsContact O-N 3.08Å; G365-E386 WeakPolarHBondContact CA-O 3.48Å; G365-E386 PolarHBondContact N-O 2.98Å
366F94.8Very high91.2Very high62 Ų6240 Ų4027%0.27219%0.194SC..EExtended strand (participates in β ladder)trans-86.8147.2175.8-67-88.6000112.7S361 T362 D364 Y368 T380 L381 K382S361-F366 WeakPolarHBondContact CA-O 3.46Å; T362-F366 PolarHBondContact N-O 3.48Å; T362-F366 WeakPolarHBondContact OG1-CB 3.48Å; T362-F366 PolarHBondContact OG1-N 2.88Å; T362-F366 PolarHBondContact OG1-O 3.25Å; T362-F366 VanDerWaalsContact OG1-O 3.09Å; D364-F366 VanDerWaalsContact C-N 3.33Å; D364-F366 HydrophobicContact CB-CD2 3.69Å; D364-F366 HydrophobicContact CB-CE2 4.11Å; D364-F366 WeakPolarHBondContact O-CD2 3.34Å; D364-F366 PolarHBondContact O-N 3.04Å; F366-Y368 HydrophobicContact CB-CD2 4.23Å; F366-Y368 HydrophobicContact CB-CE2 3.51Å; F366-Y368 HydrophobicContact CG-CE2 4.44Å; F366-T380 HydrophobicContact CD1-CG2 3.81Å; F366-T380 HydrophobicContact CE1-CG2 4.48Å; F366-L381 CarbonylContact C-O 3.54Å; F366-L381 VanDerWaalsContact CA-O 3.3Å; F366-L381 WeakPolarHBondContact CA-O 3.46Å; F366-K382 HydrophobicContact CD1-CB 3.96Å; F366-K382 HydrophobicContact CD1-CG 4.35Å; F366-K382 HydrophobicContact CE1-CB 3.72Å; F366-K382 HydrophobicContact CE1-CD 4.42Å; F366-K382 HydrophobicContact CE1-CG 4.05Å; F366-K382 HydrophobicContact CZ-CB 4.39Å; F366-K382 HydrophobicContact CZ-CD 4.25Å; F366-K382 HydrophobicContact CZ-CG 4.25Å
367V95.1Very high91.3Very high0 Ų041.2 Ų41.20%020%0.202CC..EExtended strand (participates in β ladder)trans-120.9124.5167.8178.60000108L359 A360 L381 A383 V388 L391 L401 T403L359-V367 HydrophobicContact CD2-CG1 4.12Å; A360-V367 CarbonylContact O-C 3.51Å; A360-V367 WeakPolarHBondContact O-CA 3.48Å; V367-L381 HydrophobicContact CB-CB 4.41Å; V367-L381 PolarHBondContact N-O 3.31Å; V367-L381 PolarHBondContact O-N 3.49Å; V367-A383 HydrophobicContact CG2-CB 3.89Å; V367-V388 HydrophobicContact CG2-CG1 4.28Å; V367-L391 HydrophobicContact CG1-CD1 3.89Å; V367-L391 HydrophobicContact CG2-CD1 4.17Å; V367-L401 HydrophobicContact CG1-CD2 4.38Å; V367-T403 HydrophobicContact CG2-CG2 4.25Å
368Y93.8Very high91.2Very high30 Ų3044.3 Ų44.312%0.11822%0.218CC..EExtended strand (participates in β ladder)trans-107.6130.8179-62.1-96.3000109.3F341 S342 L359 A360 T362 F366 T380F341-Y368 HydrophobicContact CB-CE2 4.35Å; F341-Y368 AromaticContact CD1-CD1 3.97Å; F341-Y368 HydrophobicContact CD1-CD1 3.97Å; F341-Y368 AromaticContact CD1-CD2 3.56Å; F341-Y368 HydrophobicContact CD1-CD2 3.56Å; F341-Y368 HydrophobicContact CD1-CE1 4.23Å; F341-Y368 AromaticContact CD1-CE2 3.85Å; F341-Y368 HydrophobicContact CD1-CE2 3.85Å; F341-Y368 AromaticContact CD1-CG 3.64Å; F341-Y368 HydrophobicContact CD1-CG 3.64Å; F341-Y368 HydrophobicContact CE1-CD1 4.2Å; F341-Y368 AromaticContact CE1-CD2 4Å; F341-Y368 HydrophobicContact CE1-CD2 4Å; F341-Y368 AromaticContact CE1-CG 3.72Å; F341-Y368 HydrophobicContact CE1-CG 3.72Å; F341-Y368 HydrophobicContact CG-CD2 4.4Å; F341-Y368 HydrophobicContact CG-CE2 4.45Å; S342-Y368 PolarHBondContact OG-OH 3.39Å; S342-Y368 VanDerWaalsContact OG-OH 3.1Å; L359-Y368 CarbonylContact C-O 3.57Å; L359-Y368 VanDerWaalsContact CA-O 3.24Å; L359-Y368 WeakPolarHBondContact CA-O 3.31Å; A360-Y368 PolarHBondContact N-O 3Å; A360-Y368 PolarHBondContact O-N 2.72Å; T362-Y368 HydrophobicContact CG2-CD2 4Å; T362-Y368 HydrophobicContact CG2-CE2 3.64Å; F366-Y368 HydrophobicContact CB-CD2 4.23Å; F366-Y368 HydrophobicContact CB-CE2 3.51Å; F366-Y368 HydrophobicContact CG-CE2 4.44Å; Y368-T380 HydrophobicContact CD1-CG2 3.81Å; Y368-T380 WeakPolarHBondContact CD1-OG1 3.35Å; Y368-T380 HydrophobicContact CE1-CG2 3.53Å
369C93Very high91.1Very high4 Ų445.6 Ų45.63%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-106.4124.7168.4-172.20000109.3F358 L359 P377 L378 F379F358-C369 WeakPolarHBondContact O-CA 3.15Å; L359-C369 HydrophobicContact CD2-CB 3.52Å; C369-P377 CarbonylContact O-C 3.6Å; C369-P377 WeakPolarHBondContact O-CA 3.41Å; C369-L378 PolarHBondContact O-N 2.97Å; C369-F379 HydrophobicContact CB-CD1 3.6Å; C369-F379 HydrophobicContact CB-CD2 4.06Å; C369-F379 HydrophobicContact CB-CE1 3.24Å; C369-F379 HydrophobicContact CB-CE2 3.73Å; C369-F379 HydrophobicContact CB-CG 4Å; C369-F379 HydrophobicContact CB-CZ 3.31Å; C369-F379 PolarHBondContact N-O 3.22Å; C369-F379 PolarHBondContact O-N 3.22Å
370L92.3Very high91Very high5 Ų548.9 Ų48.93%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-127.6150.1-177.6-5699.5000110.3W339 F341 N357 F358 P377W339-L370 HydrophobicContact CB-CD2 4.33Å; W339-L370 VanDerWaalsContact CD1-CD2 3.41Å; W339-L370 HydrophobicContact CG-CD2 3.88Å; F341-L370 HydrophobicContact CE1-CD1 3.82Å; F341-L370 HydrophobicContact CE1-CD2 4.33Å; F341-L370 HydrophobicContact CZ-CD1 3.88Å; N357-L370 CarbonylContact C-O 3.57Å; N357-L370 WeakPolarHBondContact CA-O 3.16Å; F358-L370 HydrophobicContact CD1-CB 4.34Å; F358-L370 HydrophobicContact CD2-CD1 4.36Å; F358-L370 HydrophobicContact CE1-CB 3.76Å; F358-L370 HydrophobicContact CE2-CB 4.26Å; F358-L370 HydrophobicContact CE2-CD1 3.69Å; F358-L370 HydrophobicContact CZ-CB 3.72Å; F358-L370 HydrophobicContact CZ-CD1 3.88Å; F358-L370 HydrophobicContact CZ-CD2 4.44Å; F358-L370 HydrophobicContact CZ-CG 4.22Å; F358-L370 PolarHBondContact N-O 2.65Å; F358-L370 PolarHBondContact O-N 3.24Å; L370-P377 HydrophobicContact CD2-CB 4.38Å; L370-P377 HydrophobicContact CG-CB 4.23Å
371D91.1Very high91Very high21 Ų2149.6 Ų49.611%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-91.1124.4164.4-176-27.7000107.4C356 R373 S374 L378C356-D371 WeakPolarHBondContact CB-OD1 3.46Å; C356-D371 CarbonylContact O-C 3.55Å; C356-D371 WeakPolarHBondContact O-CA 3.23Å; D371-R373 PolarHBondContact O-N 3.37Å; D371-R373 VanDerWaalsContact OD1-CB 3.31Å; D371-R373 WeakPolarHBondContact OD1-CB 3.32Å; D371-R373 WeakPolarHBondContact OD1-CG 3.47Å; D371-R373 IonicContact OD1-CZ 2.78Å; D371-R373 PolarHBondContact OD1-N 3.19Å; D371-R373 IonicContact OD1-NE 3.8Å; D371-R373 PolarHBondContact OD1-NE 3.31Å; D371-R373 IonicContact OD1-NH2 3.49Å; D371-R373 IonicContact OD2-CZ 3.66Å; D371-R373 IonicContact OD2-NE 3.44Å; D371-R373 PolarHBondContact OD2-NE 2.75Å; D371-R373 IonicContact OD2-NH2 3.95Å; D371-R373 PolarHBondContact OD2-NH2 3.05Å; D371-S374 CarbonylContact O-C 3.58Å; D371-S374 PolarHBondContact O-N 2.61Å; D371-L378 HydrophobicContact CB-CD1 4.45Å
372A87.3Confident90.9Very high13 Ų1354.9 Ų54.911%0.10727%0.27CS..THydrogen-bonded Turntrans-53.9-22.7178.200000113.4L326 R337 W350 C356 F358L326-A372 HydrophobicContact CD2-CB 4.17Å; R337-A372 WeakPolarHBondContact CD-O 3.16Å; R337-A372 PolarHBondContact NH1-O 3.37Å; W350-A372 HydrophobicContact CH2-CB 4.1Å; W350-A372 HydrophobicContact CZ3-CB 4.25Å; C356-A372 WeakPolarHBondContact O-CB 3.46Å; C356-A372 PolarHBondContact O-N 2.88Å; F358-A372 HydrophobicContact CD1-CB 4.35Å; F358-A372 HydrophobicContact CE1-CB 4.42Å
373R86.7Confident90.7Very high165 Ų16555 Ų5562%0.62327%0.271SS*.THydrogen-bonded Turntrans-86.7-16178.4-56.6169.3-63-178.73.4113R337 D371R337-R373 PolarHBondContact NH1-O 3.08Å; D371-R373 PolarHBondContact O-N 3.37Å; D371-R373 VanDerWaalsContact OD1-CB 3.31Å; D371-R373 WeakPolarHBondContact OD1-CB 3.32Å; D371-R373 WeakPolarHBondContact OD1-CG 3.47Å; D371-R373 IonicContact OD1-CZ 2.78Å; D371-R373 PolarHBondContact OD1-N 3.19Å; D371-R373 IonicContact OD1-NE 3.8Å; D371-R373 PolarHBondContact OD1-NE 3.31Å; D371-R373 IonicContact OD1-NH2 3.49Å; D371-R373 IonicContact OD2-CZ 3.66Å; D371-R373 IonicContact OD2-NE 3.44Å; D371-R373 PolarHBondContact OD2-NE 2.75Å; D371-R373 IonicContact OD2-NH2 3.95Å; D371-R373 PolarHBondContact OD2-NH2 3.05Å
374S87.1Confident90.7Very high45 Ų4551.6 Ų51.632%0.31526%0.255SS..  trans-117.8150.4-175.6-174.50000111.8W339 D371 K376W339-S374 PolarHBondContact NE1-O 3.07Å; D371-S374 CarbonylContact O-C 3.58Å; D371-S374 PolarHBondContact O-N 2.61Å; S374-K376 PolarHBondContact OG-N 2.94Å
375D80.1Confident90.6Very high123 Ų12354.1 Ų54.166%0.65827%0.269SS*.SBendtrans-87.8-15.1174.7-61.3-27.7000112.2
376K85.9Confident90.7Very high165 Ų16558.8 Ų58.872%0.71729%0.291SS*.SBendtrans-89.7132.4-179.2-67.8-178-178.7179.20110.4S374S374-K376 PolarHBondContact OG-N 2.94Å
377P88Confident90.6Very high62 Ų6258.8 Ų58.840%0.40329%0.292SS..EExtended strand (participates in β ladder)trans-64.1138.5171.128.7-33.3000109.3C369 L370C369-P377 CarbonylContact O-C 3.6Å; C369-P377 WeakPolarHBondContact O-CA 3.41Å; L370-P377 HydrophobicContact CD2-CB 4.38Å; L370-P377 HydrophobicContact CG-CB 4.23Å
378L89.9Confident90.5Very high95 Ų9558.8 Ų58.850%0.49729%0.292SS..EExtended strand (participates in β ladder)trans-65.5-45.5172.9-65.6175.8000109.9C369 D371C369-L378 PolarHBondContact O-N 2.97Å; D371-L378 HydrophobicContact CB-CD1 4.45Å
379F91.4Very high90.4Very high27 Ų2758 Ų5812%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-151.6158.6170.166.4-99.6000111.1L359 C369 L381 I415 P420L359-F379 HydrophobicContact CD2-CZ 4.11Å; C369-F379 HydrophobicContact CB-CD1 3.6Å; C369-F379 HydrophobicContact CB-CD2 4.06Å; C369-F379 HydrophobicContact CB-CE1 3.24Å; C369-F379 HydrophobicContact CB-CE2 3.73Å; C369-F379 HydrophobicContact CB-CG 4Å; C369-F379 HydrophobicContact CB-CZ 3.31Å; C369-F379 PolarHBondContact N-O 3.22Å; C369-F379 PolarHBondContact O-N 3.22Å; F379-L381 HydrophobicContact CD2-CB 4.32Å; F379-L381 HydrophobicContact CE2-CB 4.31Å; F379-I415 HydrophobicContact CE1-CB 4.2Å; F379-I415 HydrophobicContact CZ-CB 3.93Å; F379-I415 HydrophobicContact CZ-CG2 3.87Å; F379-P420 HydrophobicContact CD2-CB 4.42Å; F379-P420 HydrophobicContact CD2-CG 3.71Å; F379-P420 HydrophobicContact CE2-CB 4.18Å; F379-P420 HydrophobicContact CE2-CG 3.94Å; F379-P420 HydrophobicContact CG-CG 4.3Å
380T92.5Very high90.3Very high68 Ų6857.9 Ų57.942%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-122.5130.2169.8-590000108F366 Y368F366-T380 HydrophobicContact CD1-CG2 3.81Å; F366-T380 HydrophobicContact CE1-CG2 4.48Å; Y368-T380 HydrophobicContact CD1-CG2 3.81Å; Y368-T380 WeakPolarHBondContact CD1-OG1 3.35Å; Y368-T380 HydrophobicContact CE1-CG2 3.53Å
381L93.3Very high90.4Very high15 Ų1557.6 Ų57.68%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-119.6125.4-178.817364.8000109.1F366 V367 F379 A383 W413 P420F366-L381 CarbonylContact C-O 3.54Å; F366-L381 VanDerWaalsContact CA-O 3.3Å; F366-L381 WeakPolarHBondContact CA-O 3.46Å; V367-L381 HydrophobicContact CB-CB 4.41Å; V367-L381 PolarHBondContact N-O 3.31Å; V367-L381 PolarHBondContact O-N 3.49Å; F379-L381 HydrophobicContact CD2-CB 4.32Å; F379-L381 HydrophobicContact CE2-CB 4.31Å; L381-A383 HydrophobicContact CD2-CB 4.1Å; L381-A383 HydrophobicContact CG-CB 4.16Å; L381-A383 PolarHBondContact O-N 3.05Å; L381-W413 HydrophobicContact CD1-CE3 3.91Å; L381-W413 HydrophobicContact CD1-CH2 3.8Å; L381-W413 HydrophobicContact CD1-CZ3 3.45Å; L381-W413 VanDerWaalsContact CD1-CZ3 3.45Å; L381-W413 HydrophobicContact CD2-CD2 3.65Å; L381-W413 HydrophobicContact CD2-CE3 3.71Å; L381-W413 HydrophobicContact CD2-CG 4.14Å; L381-W413 HydrophobicContact CD2-CH2 4.22Å; L381-W413 HydrophobicContact CD2-CZ2 4.16Å; L381-W413 HydrophobicContact CD2-CZ3 4Å; L381-W413 HydrophobicContact CG-CE3 4.43Å; L381-W413 HydrophobicContact CG-CH2 4.34Å; L381-W413 HydrophobicContact CG-CZ3 4.25Å; L381-P420 HydrophobicContact CB-CG 3.93Å; L381-P420 HydrophobicContact CD1-CB 4.24Å; L381-P420 HydrophobicContact CD1-CG 3.8Å; L381-P420 HydrophobicContact CD2-CB 4.18Å; L381-P420 HydrophobicContact CD2-CG 4.32Å; L381-P420 HydrophobicContact CG-CG 4.21Å
382K93.1Very high90.5Very high111 Ų11158.6 Ų58.648%0.48329%0.292SS..EExtended strand (participates in β ladder)trans-82.795.9163.3-169.8178.5177.5-165.30107.8F366 H384 D385F366-K382 HydrophobicContact CD1-CB 3.96Å; F366-K382 HydrophobicContact CD1-CG 4.35Å; F366-K382 HydrophobicContact CE1-CB 3.72Å; F366-K382 HydrophobicContact CE1-CD 4.42Å; F366-K382 HydrophobicContact CE1-CG 4.05Å; F366-K382 HydrophobicContact CZ-CB 4.39Å; F366-K382 HydrophobicContact CZ-CD 4.25Å; F366-K382 HydrophobicContact CZ-CG 4.25Å; K382-H384 WeakPolarHBondContact CE-O 3.29Å; K382-D385 WeakPolarHBondContact CE-OD1 3.39Å; K382-D385 IonicContact NZ-OD1 3.85Å; K382-D385 PolarHBondContact NZ-OD1 2.94Å
383A91Very high90.7Very high3 Ų358.3 Ų58.33%0.02529%0.289CS..  trans-83.9-42.4-173.600000111.2G365 V367 L381 K411 W413G365-A383 PolarHBondContact O-N 3.17Å; V367-A383 HydrophobicContact CG2-CB 3.89Å; L381-A383 HydrophobicContact CD2-CB 4.1Å; L381-A383 HydrophobicContact CG-CB 4.16Å; L381-A383 PolarHBondContact O-N 3.05Å; A383-K411 VanDerWaalsContact O-CD 3.28Å; A383-K411 WeakPolarHBondContact O-CD 3.45Å; A383-K411 PolarHBondContact O-NZ 3.26Å; A383-W413 HydrophobicContact CB-CZ2 3.82Å
384H93.7Very high90.9Very high2 Ų250.4 Ų50.41%0.00926%0.259CS..  trans-135.5170.4-175.6-67.9-95.2000111.2G365 K382 V388 T403 S405 D407 Y409G365-H384 WeakPolarHBondContact CA-O 3.43Å; G365-H384 PolarHBondContact O-N 3.13Å; G365-H384 VanDerWaalsContact O-N 3.08Å; K382-H384 WeakPolarHBondContact CE-O 3.29Å; H384-V388 HydrophobicContact CB-CG2 3.91Å; H384-T403 PolarHBondContact NE2-OG1 3.49Å; H384-S405 WeakPolarHBondContact CB-OG 3.33Å; H384-S405 WeakPolarHBondContact ND1-CB 3.23Å; H384-D407 WeakPolarHBondContact CB-OD2 3.12Å; H384-D407 IonicContact CE1-OD1 3.37Å; H384-D407 IonicContact CE1-OD2 2.68Å; H384-D407 IonicContact CG-OD2 3.45Å; H384-D407 IonicContact ND1-OD1 3.65Å; H384-D407 PolarHBondContact ND1-OD1 3.18Å; H384-D407 IonicContact ND1-OD2 3.75Å; H384-D407 PolarHBondContact ND1-OD2 3.06Å; H384-Y409 PolarHBondContact CE1-O 2.87Å; H384-Y409 VanDerWaalsContact CE1-O 3.31Å
385D91Very high90.8Very high120 Ų12049.5 Ų49.564%0.64225%0.253SS*.SBendtrans-94.5-14.8174.4-73.4-43.6000112.7K382K382-D385 WeakPolarHBondContact CE-OD1 3.39Å; K382-D385 IonicContact NZ-OD1 3.85Å; K382-D385 PolarHBondContact NZ-OD1 2.94Å
386E93.1Very high91.1Very high99 Ų9944.6 Ų44.646%0.46323%0.226SC..SBendtrans-121.6-176.7173.4-61.4-172.9175.100110.5E363 G365 S405 A406 D407E363-E386 CarbonylContact O-C 3.56Å; G365-E386 WeakPolarHBondContact CA-O 3.48Å; G365-E386 PolarHBondContact N-O 2.98Å; E386-S405 PolarHBondContact O-OG 2.77Å; E386-A406 HydrophobicContact CB-CB 4.25Å; E386-A406 WeakPolarHBondContact OE2-CB 3.43Å; E386-D407 HydrophobicContact CB-CB 4.2Å; E386-D407 HydrophobicContact CG-CB 4.27Å; E386-D407 PolarHBondContact OE2-N 3.35Å
387E92.4Very high91.1Very high62 Ų6236.7 Ų36.729%0.2919%0.192SC..  trans-56.5139.7-177.664.5-173.9-160.100113.1E346 E363 S405 A406E346-E387 HydrophobicContact CG-CB 4.29Å; E363-E387 HydrophobicContact CB-CB 4.39Å; E363-E387 HydrophobicContact CG-CB 4.19Å; E363-E387 WeakPolarHBondContact O-CA 3.5Å; E363-E387 PolarHBondContact O-N 2.99Å; E363-E387 VanDerWaalsContact O-N 3.1Å; E387-S405 WeakPolarHBondContact O-CA 3.33Å; E387-S405 WeakPolarHBondContact O-CB 3.2Å; E387-S405 PolarHBondContact O-OG 3.11Å; E387-A406 HydrophobicContact CG-CB 3.55Å; E387-A406 PolarHBondContact O-N 2.79Å; E387-A406 VanDerWaalsContact O-N 3.09Å
388V94.5Very high91Very high0 Ų038.1 Ų38.10%019%0.191CC..  trans-101.192178.8175.70000108.7E346 S361 T362 V367 H384 T403 S404E346-V388 WeakPolarHBondContact CB-O 3.43Å; S361-V388 WeakPolarHBondContact CB-O 3.4Å; S361-V388 PolarHBondContact OG-O 2.99Å; T362-V388 PolarHBondContact O-N 2.62Å; V367-V388 HydrophobicContact CG2-CG1 4.28Å; H384-V388 HydrophobicContact CB-CG2 3.91Å; V388-T403 HydrophobicContact CG1-CG2 4.41Å; V388-S404 CarbonylContact C-O 3.54Å; V388-S404 WeakPolarHBondContact CA-O 3.3Å
389S92Very high90.8Very high13 Ų1333.7 Ų33.79%0.09117%0.169CC..  trans-73.6-33.8-175.856.60000113.6S404 L433S389-S404 PolarHBondContact N-O 2.81Å; S389-S404 VanDerWaalsContact N-O 3.08Å; S389-S404 PolarHBondContact OG-O 3.39Å; S389-L433 WeakPolarHBondContact CB-O 3.31Å; S389-L433 PolarHBondContact OG-O 3.09Å
390G89.7Confident90.8Very high1 Ų132.4 Ų32.41%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-118.5129.5179.300000112.1T403 S404G390-T403 WeakPolarHBondContact O-CA 3.11Å; G390-S404 WeakPolarHBondContact CA-OG 3.46Å; G390-S404 PolarHBondContact N-O 2.84Å; G390-S404 VanDerWaalsContact N-O 3.12Å; G390-S404 PolarHBondContact N-OG 2.9Å; G390-S404 PolarHBondContact O-N 3.23Å
391L94.5Very high90.8Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-137.699.9-178.9-175.471.3000109.2R347 T349 L359 V367 L401 T403R347-L391 HydrophobicContact CB-CB 3.94Å; R347-L391 HydrophobicContact CG-CB 4.18Å; T349-L391 HydrophobicContact CG2-CD2 3.82Å; T349-L391 HydrophobicContact CG2-CG 3.78Å; L359-L391 HydrophobicContact CB-CD2 3.84Å; V367-L391 HydrophobicContact CG1-CD1 3.89Å; V367-L391 HydrophobicContact CG2-CD1 4.17Å; L391-L401 HydrophobicContact CD1-CD1 3.84Å; L391-L401 HydrophobicContact CD1-CD2 4.36Å; L391-L401 HydrophobicContact CG-CD1 4.48Å; L391-T403 HydrophobicContact CD1-CG2 4Å
392Q94Very high90.9Very high41 Ų4128.5 Ų28.519%0.19214%0.139CC..EExtended strand (participates in β ladder)trans-131.6135.7-174.6-65.3-63-16.300112.2V402 A436 C438 F446Q392-V402 PolarHBondContact N-O 2.65Å; Q392-V402 PolarHBondContact O-N 3.48Å; Q392-A436 HydrophobicContact CG-CB 4.18Å; Q392-A436 WeakPolarHBondContact CG-O 3.16Å; Q392-A436 PolarHBondContact NE2-O 2.97Å; Q392-C438 HydrophobicContact CB-CB 4.31Å; Q392-F446 HydrophobicContact CB-CD1 4.46Å; Q392-F446 HydrophobicContact CB-CE1 4.25Å
393L91.7Very high91Very high7 Ų723.2 Ų23.24%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-92.8146.6169.7-71.8168.3000110N351 L359 S395 L401 I415 C438N351-L393 HydrophobicContact CB-CD1 3.96Å; L359-L393 HydrophobicContact CD1-CD1 3.9Å; L359-L393 HydrophobicContact CD1-CD2 3.97Å; L359-L393 HydrophobicContact CD1-CG 4.01Å; L393-S395 PolarHBondContact O-N 2.93Å; L393-L401 HydrophobicContact CD2-CB 4.03Å; L393-L401 HydrophobicContact CD2-CD1 3.76Å; L393-L401 HydrophobicContact CG-CD1 4.16Å; L393-I415 HydrophobicContact CD2-CD1 3.77Å; L393-C438 PolarHBondContact O-SG 3.1Å
394S90.2Very high91.2Very high0 Ų023 Ų230%012%0.115CC..  trans-60.6134170.1177.10000110.7H352 F353 Q396 I397 C400 P443H352-S394 PolarHBondContact CE1-O 3.42Å; H352-S394 PolarHBondContact NE2-O 3.23Å; H352-S394 VanDerWaalsContact NE2-O 3.09Å; F353-S394 WeakPolarHBondContact CE2-O 3.46Å; F353-S394 WeakPolarHBondContact CZ-O 3.44Å; S394-Q396 VanDerWaalsContact C-N 3.27Å; S394-Q396 PolarHBondContact O-N 3.48Å; S394-I397 PolarHBondContact OG-N 2.87Å; S394-C400 PolarHBondContact N-O 3.12Å; S394-P443 WeakPolarHBondContact CB-O 3.35Å; S394-P443 WeakPolarHBondContact OG-CA 3.26Å; S394-P443 WeakPolarHBondContact OG-CB 3.33Å; S394-P443 PolarHBondContact OG-O 2.99Å
395S85.1Confident91.2Very high25 Ų2523 Ų2318%0.17512%0.115CC..SBendtrans-62.3-25.1-17751.70000115.2H352 L393 C439 P440H352-S395 PolarHBondContact NE2-O 3.2Å; L393-S395 PolarHBondContact O-N 2.93Å; S395-C439 WeakPolarHBondContact CB-O 3.27Å; S395-C439 PolarHBondContact OG-O 3.33Å; S395-P440 PolarHBondContact OG-O 2.79Å
396Q86.5Confident91.2Very high20 Ų2017.6 Ų17.69%0.0939%0.087CC..SBendtrans-128.5-20.4-176.2-48169.211.700113.8F353 S394 D441 P443 R475 L476 L478F353-Q396 VanDerWaalsContact CZ-C 3.49Å; S394-Q396 VanDerWaalsContact C-N 3.27Å; S394-Q396 PolarHBondContact O-N 3.48Å; Q396-D441 PolarHBondContact NE2-O 2.77Å; Q396-P443 HydrophobicContact CB-CB 3.96Å; Q396-P443 HydrophobicContact CB-CG 4.47Å; Q396-P443 HydrophobicContact CG-CB 4.29Å; Q396-R475 HydrophobicContact CB-CB 4.36Å; Q396-L476 PolarHBondContact O-N 3Å; Q396-L478 HydrophobicContact CG-CG 4.45Å; Q396-L478 VanDerWaalsContact NE2-CD1 3.26Å
397I85.8Confident91.2Very high0 Ų014 Ų140%07%0.071CC..BIsolated β-bridgetrans-101.6117.2-175.2-62.3172.8000111.1F353 S394 G399 C400 P443 F444 F470 R473F353-I397 VanDerWaalsContact CE2-O 3.29Å; F353-I397 WeakPolarHBondContact CE2-O 3.14Å; F353-I397 WeakPolarHBondContact CZ-O 3.47Å; S394-I397 PolarHBondContact OG-N 2.87Å; I397-G399 PolarHBondContact O-N 3.32Å; I397-C400 HydrophobicContact CB-CB 4.33Å; I397-C400 HydrophobicContact CG2-CB 4.09Å; I397-C400 PolarHBondContact O-N 3.38Å; I397-P443 HydrophobicContact CD1-CB 3.72Å; I397-P443 HydrophobicContact CD1-CG 4.05Å; I397-P443 HydrophobicContact CG1-CB 3.77Å; I397-P443 HydrophobicContact CG1-CG 4.34Å; I397-F444 HydrophobicContact CD1-CD1 3.94Å; I397-F444 HydrophobicContact CD1-CD2 4.42Å; I397-F444 HydrophobicContact CD1-CE1 3.18Å; I397-F444 HydrophobicContact CD1-CE2 3.74Å; I397-F444 HydrophobicContact CD1-CZ 3.07Å; I397-F470 HydrophobicContact CD1-CB 4.29Å; I397-F470 HydrophobicContact CG2-CB 4.09Å; I397-F470 HydrophobicContact CG2-CD1 3.65Å; I397-F470 HydrophobicContact CG2-CE1 4.49Å; I397-F470 HydrophobicContact CG2-CG 4.2Å; I397-R473 HydrophobicContact CG2-CB 4.36Å
398K86.2Confident91.1Very high92 Ų9215.9 Ų15.940%0.48%0.078SC..THydrogen-bonded Turntrans-58.6125.7174.6-76.1177.6179.9174.60111.1F353 L416 R473F353-K398 HydrophobicContact CB-CG 4Å; F353-K398 HydrophobicContact CD1-CB 4.27Å; F353-K398 HydrophobicContact CD1-CD 4.08Å; F353-K398 HydrophobicContact CD1-CG 3.15Å; F353-K398 HydrophobicContact CD2-CG 4.19Å; F353-K398 HydrophobicContact CE1-CB 4.4Å; F353-K398 HydrophobicContact CE1-CG 3.53Å; F353-K398 HydrophobicContact CE2-CG 4.49Å; F353-K398 HydrophobicContact CG-CB 4.38Å; F353-K398 HydrophobicContact CG-CG 3.53Å; F353-K398 HydrophobicContact CZ-CG 4.21Å; K398-L416 HydrophobicContact CB-CD1 4.02Å; K398-L416 HydrophobicContact CB-CD2 4.28Å; K398-R473 PolarHBondContact O-NH1 2.97Å
399G85.4Confident91.1Very high2 Ų220.5 Ų20.52%0.02110%0.097CC..THydrogen-bonded Turntrans86.4-517200000116.4I397 L401 W413 D414 I415I397-G399 PolarHBondContact O-N 3.32Å; G399-L401 PolarHBondContact O-N 2.95Å; G399-W413 VanDerWaalsContact O-O 3.11Å; G399-D414 VanDerWaalsContact O-CA 3.3Å; G399-D414 WeakPolarHBondContact O-CA 3.46Å; G399-I415 WeakPolarHBondContact O-CG1 3.47Å; G399-I415 PolarHBondContact O-N 3.3Å
400C91.1Very high91.3Very high0 Ų019.9 Ų19.90%09%0.092CC..EExtended strand (participates in β ladder)trans-80.9106.8176.6-177.60000109.3S394 I397 F470S394-C400 PolarHBondContact N-O 3.12Å; I397-C400 HydrophobicContact CB-CB 4.33Å; I397-C400 HydrophobicContact CG2-CB 4.09Å; I397-C400 PolarHBondContact O-N 3.38Å; C400-F470 HydrophobicContact CB-CD1 3.95Å; C400-F470 HydrophobicContact CB-CE1 3.58Å; C400-F470 HydrophobicContact CB-CE2 4.27Å; C400-F470 HydrophobicContact CB-CG 4.45Å; C400-F470 HydrophobicContact CB-CZ 3.74Å
401L93.6Very high91.5Very high0 Ų021.3 Ų21.30%010%0.098CC..EExtended strand (participates in β ladder)trans-108.7131.2176.1176.769.9000109.5L359 V367 L391 L393 G399 T403 I412 W413 I415L359-L401 HydrophobicContact CD1-CD1 3.92Å; V367-L401 HydrophobicContact CG1-CD2 4.38Å; L391-L401 HydrophobicContact CD1-CD1 3.84Å; L391-L401 HydrophobicContact CD1-CD2 4.36Å; L391-L401 HydrophobicContact CG-CD1 4.48Å; L393-L401 HydrophobicContact CD2-CB 4.03Å; L393-L401 HydrophobicContact CD2-CD1 3.76Å; L393-L401 HydrophobicContact CG-CD1 4.16Å; G399-L401 PolarHBondContact O-N 2.95Å; L401-T403 HydrophobicContact CD2-CG2 4.18Å; L401-T403 HydrophobicContact CG-CG2 4.17Å; L401-I412 WeakPolarHBondContact O-CA 3.29Å; L401-W413 HydrophobicContact CB-CB 4.23Å; L401-W413 PolarHBondContact N-O 2.79Å; L401-W413 PolarHBondContact O-N 3.2Å; L401-I415 HydrophobicContact CB-CG2 3.9Å; L401-I415 HydrophobicContact CD2-CG2 3.89Å
402V94.8Very high91.5Very high0 Ų021.3 Ų21.30%010%0.098CC..EExtended strand (participates in β ladder)trans-114.2125.5175.41800000108.6Q392 V410 I412 F446 F448 I460Q392-V402 PolarHBondContact N-O 2.65Å; Q392-V402 PolarHBondContact O-N 3.48Å; V402-V410 HydrophobicContact CG1-CG1 3.72Å; V402-I412 HydrophobicContact CG2-CG1 4.47Å; V402-F446 HydrophobicContact CB-CD1 4.2Å; V402-F446 HydrophobicContact CB-CE1 3.94Å; V402-F446 HydrophobicContact CB-CZ 4.28Å; V402-F446 HydrophobicContact CG1-CD1 4.37Å; V402-F446 HydrophobicContact CG2-CD1 4.11Å; V402-F446 HydrophobicContact CG2-CD2 4.22Å; V402-F446 HydrophobicContact CG2-CE1 3.62Å; V402-F446 HydrophobicContact CG2-CE2 3.76Å; V402-F446 HydrophobicContact CG2-CG 4.39Å; V402-F446 HydrophobicContact CG2-CZ 3.44Å; V402-F446 VanDerWaalsContact CG2-CZ 3.44Å; V402-F448 HydrophobicContact CG1-CE1 3.93Å; V402-F448 HydrophobicContact CG1-CZ 3.76Å; V402-I460 HydrophobicContact CG2-CD1 4.47Å
403T95.3Very high91.6Very high0 Ų020.1 Ų20.10%09%0.092CC..EExtended strand (participates in β ladder)trans-116.6136.2176.861.50000109.9V367 H384 V388 G390 L391 L401 V410 K411 W413V367-T403 HydrophobicContact CG2-CG2 4.25Å; H384-T403 PolarHBondContact NE2-OG1 3.49Å; V388-T403 HydrophobicContact CG1-CG2 4.41Å; G390-T403 WeakPolarHBondContact O-CA 3.11Å; L391-T403 HydrophobicContact CD1-CG2 4Å; L401-T403 HydrophobicContact CD2-CG2 4.18Å; L401-T403 HydrophobicContact CG-CG2 4.17Å; T403-V410 CarbonylContact O-C 3.15Å; T403-V410 WeakPolarHBondContact O-CA 3.3Å; T403-K411 PolarHBondContact N-O 3.24Å; T403-K411 PolarHBondContact O-N 2.96Å; T403-K411 PolarHBondContact OG1-O 2.97Å; T403-W413 PolarHBondContact OG1-NE1 3.27Å
404S94.3Very high91.6Very high0 Ų020.7 Ų20.70%010%0.095CC..EExtended strand (participates in β ladder)trans-120.5146.6168.462.60000109.7V388 S389 G390V388-S404 CarbonylContact C-O 3.54Å; V388-S404 WeakPolarHBondContact CA-O 3.3Å; S389-S404 PolarHBondContact N-O 2.81Å; S389-S404 VanDerWaalsContact N-O 3.08Å; S389-S404 PolarHBondContact OG-O 3.39Å; G390-S404 WeakPolarHBondContact CA-OG 3.46Å; G390-S404 PolarHBondContact N-O 2.84Å; G390-S404 VanDerWaalsContact N-O 3.12Å; G390-S404 PolarHBondContact N-OG 2.9Å; G390-S404 PolarHBondContact O-N 3.23Å
405S94.3Very high91.6Very high0 Ų021.5 Ų21.50%010%0.099CC..  trans-138.5161.5-174.4173.20000111.8H384 E386 E387 D407 K408 Y409H384-S405 WeakPolarHBondContact CB-OG 3.33Å; H384-S405 WeakPolarHBondContact ND1-CB 3.23Å; E386-S405 PolarHBondContact O-OG 2.77Å; E387-S405 WeakPolarHBondContact O-CA 3.33Å; E387-S405 WeakPolarHBondContact O-CB 3.2Å; E387-S405 PolarHBondContact O-OG 3.11Å; S405-D407 WeakPolarHBondContact CB-OD1 3.32Å; S405-D407 PolarHBondContact O-N 2.82Å; S405-D407 PolarHBondContact OG-N 3.1Å; S405-K408 PolarHBondContact O-N 3.39Å; S405-Y409 PolarHBondContact N-O 3.16Å
406A91.5Very high91.5Very high7 Ų725.3 Ų25.36%0.05812%0.117CC..THydrogen-bonded Turntrans-60.1-19.2168.300000113.3E386 E387 K408 V432E386-A406 HydrophobicContact CB-CB 4.25Å; E386-A406 WeakPolarHBondContact OE2-CB 3.43Å; E387-A406 HydrophobicContact CG-CB 3.55Å; E387-A406 PolarHBondContact O-N 2.79Å; E387-A406 VanDerWaalsContact O-N 3.09Å; A406-K408 PolarHBondContact O-N 2.91Å; A406-V432 HydrophobicContact CB-CG1 3.88Å
407D91.9Very high91Very high23 Ų2326.3 Ų26.312%0.12313%0.132CC..THydrogen-bonded Turntrans-66.7-0.4174.879.3-0000114.2H384 E386 S405 Y409 K411H384-D407 WeakPolarHBondContact CB-OD2 3.12Å; H384-D407 IonicContact CE1-OD1 3.37Å; H384-D407 IonicContact CE1-OD2 2.68Å; H384-D407 IonicContact CG-OD2 3.45Å; H384-D407 IonicContact ND1-OD1 3.65Å; H384-D407 PolarHBondContact ND1-OD1 3.18Å; H384-D407 IonicContact ND1-OD2 3.75Å; H384-D407 PolarHBondContact ND1-OD2 3.06Å; E386-D407 HydrophobicContact CB-CB 4.2Å; E386-D407 HydrophobicContact CG-CB 4.27Å; E386-D407 PolarHBondContact OE2-N 3.35Å; S405-D407 WeakPolarHBondContact CB-OD1 3.32Å; S405-D407 PolarHBondContact O-N 2.82Å; S405-D407 PolarHBondContact OG-N 3.1Å; D407-Y409 HydrophobicContact CB-CD2 4.5Å; D407-Y409 WeakPolarHBondContact O-CD2 3.37Å; D407-Y409 PolarHBondContact O-N 2.82Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.42Å; D407-Y409 PolarHBondContact OD1-N 2.84Å; D407-K411 IonicContact OD2-NZ 2.91Å
408K91.9Very high90.3Very high102 Ų10235.5 Ų35.544%0.44318%0.175SC..SBendtrans79-3.4177.9-46.8161.8-176.2162.10114.3S405 A406 M428 G431S405-K408 PolarHBondContact O-N 3.39Å; A406-K408 PolarHBondContact O-N 2.91Å; K408-M428 PolarHBondContact O-N 2.99Å; K408-G431 WeakPolarHBondContact CG-O 3.28Å
409Y93.8Very high90.1Very high98 Ų9839.2 Ų39.238%0.38419%0.191SC..EExtended strand (participates in β ladder)trans-93.9143.5179.7-67.1-92.9000111.5H384 S405 D407 R426 D427H384-Y409 PolarHBondContact CE1-O 2.87Å; H384-Y409 VanDerWaalsContact CE1-O 3.31Å; S405-Y409 PolarHBondContact N-O 3.16Å; D407-Y409 HydrophobicContact CB-CD2 4.5Å; D407-Y409 WeakPolarHBondContact O-CD2 3.37Å; D407-Y409 PolarHBondContact O-N 2.82Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.42Å; D407-Y409 PolarHBondContact OD1-N 2.84Å; Y409-R426 WeakPolarHBondContact CA-O 3.17Å; Y409-D427 HydrophobicContact CD1-CB 4.06Å; Y409-D427 HydrophobicContact CE1-CB 3.74Å
410V95.1Very high90.3Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-104.2129.6160.1179.70000107.8V402 T403 S425 R426 M428 L433 F448 W458V402-V410 HydrophobicContact CG1-CG1 3.72Å; T403-V410 CarbonylContact O-C 3.15Å; T403-V410 WeakPolarHBondContact O-CA 3.3Å; V410-S425 WeakPolarHBondContact O-CA 3.1Å; V410-R426 PolarHBondContact N-O 3.08Å; V410-R426 PolarHBondContact O-N 3.18Å; V410-M428 HydrophobicContact CB-CG 4.34Å; V410-M428 HydrophobicContact CG2-CG 3.6Å; V410-L433 HydrophobicContact CG2-CD1 3.44Å; V410-L433 VanDerWaalsContact CG2-CD1 3.44Å; V410-F448 HydrophobicContact CB-CE1 4.44Å; V410-F448 HydrophobicContact CG1-CE1 3.71Å; V410-F448 HydrophobicContact CG1-CZ 3.63Å; V410-F448 HydrophobicContact CG2-CD1 3.94Å; V410-F448 HydrophobicContact CG2-CE1 3.79Å; V410-F448 HydrophobicContact CG2-CG 4.45Å; V410-F448 HydrophobicContact CG2-CZ 4.18Å; V410-W458 HydrophobicContact CB-CZ3 4.06Å; V410-W458 HydrophobicContact CG1-CE3 4.38Å; V410-W458 HydrophobicContact CG1-CZ3 3.81Å
411K95.2Very high90.3Very high30 Ų3042.9 Ų42.913%0.1322%0.216CC..EExtended strand (participates in β ladder)trans-119.8140.6178.3-67.9177.6-168.1166.90110.8A383 T403 D407 W413 L422 H424A383-K411 VanDerWaalsContact O-CD 3.28Å; A383-K411 WeakPolarHBondContact O-CD 3.45Å; A383-K411 PolarHBondContact O-NZ 3.26Å; T403-K411 PolarHBondContact N-O 3.24Å; T403-K411 PolarHBondContact O-N 2.96Å; T403-K411 PolarHBondContact OG1-O 2.97Å; D407-K411 IonicContact OD2-NZ 2.91Å; K411-W413 HydrophobicContact CB-CZ2 4Å; K411-W413 HydrophobicContact CD-CZ2 3.72Å; K411-W413 HydrophobicContact CG-CZ2 4.47Å; K411-L422 HydrophobicContact CB-CD1 3.83Å; K411-L422 HydrophobicContact CD-CD1 4.18Å; K411-L422 HydrophobicContact CG-CD1 4.07Å; K411-H424 WeakPolarHBondContact CA-O 3.44Å
412I95.1Very high90.3Very high0 Ų047.1 Ų47.10%024%0.238CC..EExtended strand (participates in β ladder)trans-113.4127.7179.7-53174.1000108L401 V402 I423 H424 W458 I460 I463 V466 F470L401-I412 WeakPolarHBondContact O-CA 3.29Å; V402-I412 HydrophobicContact CG2-CG1 4.47Å; I412-I423 PolarHBondContact O-N 3.29Å; I412-H424 HydrophobicContact CB-CB 4.38Å; I412-H424 HydrophobicContact CD1-CB 4.21Å; I412-H424 PolarHBondContact N-O 3.46Å; I412-H424 PolarHBondContact O-N 3.14Å; I412-W458 HydrophobicContact CD1-CH2 4.16Å; I412-W458 HydrophobicContact CD1-CZ3 4.49Å; I412-I460 HydrophobicContact CD1-CB 3.74Å; I412-I460 HydrophobicContact CD1-CD1 4.03Å; I412-I460 HydrophobicContact CD1-CG1 4.46Å; I412-I460 HydrophobicContact CD1-CG2 3.58Å; I412-I460 HydrophobicContact CG2-CD1 4.36Å; I412-I463 HydrophobicContact CD1-CD1 4.08Å; I412-V466 HydrophobicContact CD1-CG2 3.78Å; I412-V466 HydrophobicContact CG2-CG2 4.43Å; I412-F470 HydrophobicContact CG2-CE2 4.04Å
413W94.3Very high90.1Very high16 Ų1648.5 Ų48.56%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-124.8147.9-173.2-53.488.8000111L381 A383 G399 L401 T403 K411 I415 S421 L422L381-W413 HydrophobicContact CD1-CE3 3.91Å; L381-W413 HydrophobicContact CD1-CH2 3.8Å; L381-W413 HydrophobicContact CD1-CZ3 3.45Å; L381-W413 VanDerWaalsContact CD1-CZ3 3.45Å; L381-W413 HydrophobicContact CD2-CD2 3.65Å; L381-W413 HydrophobicContact CD2-CE3 3.71Å; L381-W413 HydrophobicContact CD2-CG 4.14Å; L381-W413 HydrophobicContact CD2-CH2 4.22Å; L381-W413 HydrophobicContact CD2-CZ2 4.16Å; L381-W413 HydrophobicContact CD2-CZ3 4Å; L381-W413 HydrophobicContact CG-CE3 4.43Å; L381-W413 HydrophobicContact CG-CH2 4.34Å; L381-W413 HydrophobicContact CG-CZ3 4.25Å; A383-W413 HydrophobicContact CB-CZ2 3.82Å; G399-W413 VanDerWaalsContact O-O 3.11Å; L401-W413 HydrophobicContact CB-CB 4.23Å; L401-W413 PolarHBondContact N-O 2.79Å; L401-W413 PolarHBondContact O-N 3.2Å; T403-W413 PolarHBondContact OG1-NE1 3.27Å; K411-W413 HydrophobicContact CB-CZ2 4Å; K411-W413 HydrophobicContact CD-CZ2 3.72Å; K411-W413 HydrophobicContact CG-CZ2 4.47Å; W413-I415 HydrophobicContact CB-CG2 4.43Å; W413-S421 WeakPolarHBondContact CA-O 3.1Å; W413-L422 HydrophobicContact CD2-CD1 4.02Å; W413-L422 HydrophobicContact CE3-CB 3.81Å; W413-L422 HydrophobicContact CE3-CD1 4.08Å; W413-L422 HydrophobicContact CH2-CB 3.99Å; W413-L422 HydrophobicContact CH2-CD1 3.84Å; W413-L422 HydrophobicContact CH2-CG 4.34Å; W413-L422 HydrophobicContact CZ2-CD1 3.77Å; W413-L422 HydrophobicContact CZ3-CB 3.48Å; W413-L422 VanDerWaalsContact CZ3-CB 3.48Å; W413-L422 HydrophobicContact CZ3-CD1 4Å; W413-L422 HydrophobicContact CZ3-CG 4.27Å
414D92.5Very high90Very high19 Ų1951.1 Ų51.110%0.10226%0.257CS..EExtended strand (participates in β ladder)trans-102.9123.7161.9175.128.7000110.3G399 L416 P420 S421 I423 F470 R473G399-D414 VanDerWaalsContact O-CA 3.3Å; G399-D414 WeakPolarHBondContact O-CA 3.46Å; D414-L416 PolarHBondContact OD1-N 3.3Å; D414-L416 VanDerWaalsContact OD1-N 3.1Å; D414-P420 VanDerWaalsContact O-CA 3.26Å; D414-P420 WeakPolarHBondContact O-CA 3.48Å; D414-S421 PolarHBondContact N-O 3.09Å; D414-S421 PolarHBondContact O-N 2.9Å; D414-I423 HydrophobicContact CB-CD1 3.67Å; D414-I423 HydrophobicContact CB-CG1 4.48Å; D414-F470 HydrophobicContact CB-CE1 4.19Å; D414-F470 HydrophobicContact CB-CZ 4.01Å; D414-R473 IonicContact OD1-CZ 3.98Å; D414-R473 IonicContact OD1-NH1 3.55Å; D414-R473 PolarHBondContact OD1-NH1 3.01Å; D414-R473 IonicContact OD1-NH2 2.75Å; D414-R473 PolarHBondContact OD1-NH2 3.3Å; D414-R473 IonicContact OD2-CZ 3.57Å; D414-R473 IonicContact OD2-NH1 3.94Å; D414-R473 IonicContact OD2-NH2 3.89Å; D414-R473 PolarHBondContact OD2-NH2 3Å
415I89.4Confident90Very high17 Ų1753.4 Ų53.49%0.08727%0.273CS..  trans-1117-175.967.4167.2000113.9L359 F379 L393 G399 L401 W413 P420L359-I415 HydrophobicContact CD1-CD1 4.28Å; F379-I415 HydrophobicContact CE1-CB 4.2Å; F379-I415 HydrophobicContact CZ-CB 3.93Å; F379-I415 HydrophobicContact CZ-CG2 3.87Å; L393-I415 HydrophobicContact CD2-CD1 3.77Å; G399-I415 WeakPolarHBondContact O-CG1 3.47Å; G399-I415 PolarHBondContact O-N 3.3Å; L401-I415 HydrophobicContact CB-CG2 3.9Å; L401-I415 HydrophobicContact CD2-CG2 3.89Å; W413-I415 HydrophobicContact CB-CG2 4.43Å; I415-P420 HydrophobicContact CG2-CB 4.32Å
416L84.6Confident90Very high106 Ų10658.4 Ų58.456%0.55529%0.292SS*.SBendtrans-77.1-25.3178-74.9-177.2000114K398 D414K398-L416 HydrophobicContact CB-CD1 4.02Å; K398-L416 HydrophobicContact CB-CD2 4.28Å; D414-L416 PolarHBondContact OD1-N 3.3Å; D414-L416 VanDerWaalsContact OD1-N 3.1Å
417G75.2Confident90Very high40 Ų4061 Ų6141%0.41231%0.305SS..SBendtrans-71.8169.8178.500000112.9K419G417-K419 PolarHBondContact O-N 3.47Å; G417-K419 VanDerWaalsContact O-N 3.14Å
418E70.8Confident89.8Confident193 Ų19360.1 Ų60.190%0.90230%0.3SS*.SBendtrans-58.9-23.8171.1-70.5-166.2163.500112.8
419K81.8Confident89.7Confident170 Ų17063 Ų6374%0.73931%0.313SS*.SBendtrans-131.6138.1174.2-66.5-179.4-177.4175.30109.8G417G417-K419 PolarHBondContact O-N 3.47Å; G417-K419 VanDerWaalsContact O-N 3.14Å
420P90Very high89.3Confident26 Ų2658.3 Ų58.317%0.16930%0.295CS..  trans-65.3135.7174.426.5-33.5000110.7F379 L381 D414 I415F379-P420 HydrophobicContact CD2-CB 4.42Å; F379-P420 HydrophobicContact CD2-CG 3.71Å; F379-P420 HydrophobicContact CE2-CB 4.18Å; F379-P420 HydrophobicContact CE2-CG 3.94Å; F379-P420 HydrophobicContact CG-CG 4.3Å; L381-P420 HydrophobicContact CB-CG 3.93Å; L381-P420 HydrophobicContact CD1-CB 4.24Å; L381-P420 HydrophobicContact CD1-CG 3.8Å; L381-P420 HydrophobicContact CD2-CB 4.18Å; L381-P420 HydrophobicContact CD2-CG 4.32Å; L381-P420 HydrophobicContact CG-CG 4.21Å; D414-P420 VanDerWaalsContact O-CA 3.26Å; D414-P420 WeakPolarHBondContact O-CA 3.48Å; I415-P420 HydrophobicContact CG2-CB 4.32Å
421S90.6Very high89Confident54 Ų5458.7 Ų58.738%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-115.6133.1178.658.80000111.6W413 D414W413-S421 WeakPolarHBondContact CA-O 3.1Å; D414-S421 PolarHBondContact N-O 3.09Å; D414-S421 PolarHBondContact O-N 2.9Å
422L93.6Very high88.8Confident88 Ų8859 Ų5946%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-73.7125.6172.3-177.164000109.5K411 W413 H424K411-L422 HydrophobicContact CB-CD1 3.83Å; K411-L422 HydrophobicContact CD-CD1 4.18Å; K411-L422 HydrophobicContact CG-CD1 4.07Å; W413-L422 HydrophobicContact CD2-CD1 4.02Å; W413-L422 HydrophobicContact CE3-CB 3.81Å; W413-L422 HydrophobicContact CE3-CD1 4.08Å; W413-L422 HydrophobicContact CH2-CB 3.99Å; W413-L422 HydrophobicContact CH2-CD1 3.84Å; W413-L422 HydrophobicContact CH2-CG 4.34Å; W413-L422 HydrophobicContact CZ2-CD1 3.77Å; W413-L422 HydrophobicContact CZ3-CB 3.48Å; W413-L422 VanDerWaalsContact CZ3-CB 3.48Å; W413-L422 HydrophobicContact CZ3-CD1 4Å; W413-L422 HydrophobicContact CZ3-CG 4.27Å; L422-H424 WeakPolarHBondContact CD1-O 3.43Å
423I91.9Very high88.7Confident29 Ų2959 Ų5915%0.14930%0.303CS..EExtended strand (participates in β ladder)trans-100.9-45.1177.7-65.6169000110.3I412 D414 A465 V466 V469 F470I412-I423 PolarHBondContact O-N 3.29Å; D414-I423 HydrophobicContact CB-CD1 3.67Å; D414-I423 HydrophobicContact CB-CG1 4.48Å; I423-A465 HydrophobicContact CG2-CB 4.04Å; I423-V466 HydrophobicContact CG2-CG2 4.04Å; I423-V469 HydrophobicContact CD1-CB 4.07Å; I423-V469 HydrophobicContact CD1-CG1 3.78Å; I423-V469 HydrophobicContact CD1-CG2 4.22Å; I423-V469 HydrophobicContact CG1-CG2 4.49Å; I423-F470 HydrophobicContact CD1-CD2 4.15Å; I423-F470 HydrophobicContact CD1-CE1 4.28Å; I423-F470 HydrophobicContact CD1-CE2 3.16Å; I423-F470 HydrophobicContact CD1-CZ 3.25Å
424H92.8Very high88.6Confident55 Ų5561.9 Ų61.926%0.25532%0.316SS..EExtended strand (participates in β ladder)trans-149.5148.8-177.3-16877.5000111.6K411 I412 L422 W458 I463 V466K411-H424 WeakPolarHBondContact CA-O 3.44Å; I412-H424 HydrophobicContact CB-CB 4.38Å; I412-H424 HydrophobicContact CD1-CB 4.21Å; I412-H424 PolarHBondContact N-O 3.46Å; I412-H424 PolarHBondContact O-N 3.14Å; L422-H424 WeakPolarHBondContact CD1-O 3.43Å; H424-W458 AromaticContact CD2-CH2 3.95Å; H424-I463 HydrophobicContact CB-CD1 4.37Å; H424-I463 VanDerWaalsContact CD2-CD1 3.49Å; H424-I463 WeakPolarHBondContact CD2-CD1 3.5Å; H424-V466 HydrophobicContact CB-CG2 4.4Å
425S94.4Very high88.5Confident48 Ų4861.5 Ų61.534%0.33632%0.315SS..EExtended strand (participates in β ladder)trans-137.2127.9175.3-177.30000108.3V410V410-S425 WeakPolarHBondContact O-CA 3.1Å
426R92.9Very high88.7Confident105 Ų10561 Ų6140%0.39631%0.313SS..EExtended strand (participates in β ladder)trans-134.7131.5-177.6-176.2174.5-179.6167.50.6111Y409 V410 M428 W458Y409-R426 WeakPolarHBondContact CA-O 3.17Å; V410-R426 PolarHBondContact N-O 3.08Å; V410-R426 PolarHBondContact O-N 3.18Å; R426-M428 HydrophobicContact CG-SD 4.15Å; R426-W458 HydrophobicContact CB-CH2 3.74Å; R426-W458 HydrophobicContact CB-CZ2 4.4Å; R426-W458 HydrophobicContact CB-CZ3 4.31Å; R426-W458 VanDerWaalsContact CD-CZ2 3.42Å; R426-W458 HydrophobicContact CG-CH2 4.27Å; R426-W458 VanDerWaalsContact NH1-NE1 3.17Å
427D92.6Very high89.2Confident62 Ų6256.3 Ų56.333%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-80119.5165-178.4-2.9000108.7Y409 K429Y409-D427 HydrophobicContact CD1-CB 4.06Å; Y409-D427 HydrophobicContact CE1-CB 3.74Å; D427-K429 VanDerWaalsContact C-N 3.29Å; D427-K429 WeakPolarHBondContact OD1-CA 3.43Å; D427-K429 PolarHBondContact OD1-N 3.47Å
428M87.1Confident90Very high4 Ų455.4 Ų55.42%0.0228%0.276CS..  trans-81.3-11.1-179.4-66.1-61.2-7900112.8K408 V410 R426 M430 F448 R456 W458K408-M428 PolarHBondContact O-N 2.99Å; V410-M428 HydrophobicContact CB-CG 4.34Å; V410-M428 HydrophobicContact CG2-CG 3.6Å; R426-M428 HydrophobicContact CG-SD 4.15Å; M428-M430 HydrophobicContact CB-CE 3.88Å; M428-M430 HydrophobicContact CB-CG 4.15Å; M428-M430 HydrophobicContact CE-CE 4.12Å; M428-M430 HydrophobicContact CG-CE 4.37Å; M428-M430 WeakPolarHBondContact O-CG 3.41Å; M428-M430 PolarHBondContact O-N 2.91Å; M428-F448 HydrophobicContact CE-CD2 4.25Å; M428-R456 HydrophobicContact CE-CG 4.17Å; M428-R456 PolarHBondContact O-NH1 2.92Å; M428-W458 HydrophobicContact CE-CB 4.25Å; M428-W458 HydrophobicContact CE-CD2 4.46Å; M428-W458 HydrophobicContact CE-CE3 4.25Å; M428-W458 HydrophobicContact CE-CG 4.49Å; M428-W458 HydrophobicContact SD-CD2 4.44Å; M428-W458 HydrophobicContact SD-CE3 4.01Å; M428-W458 HydrophobicContact SD-CZ3 4.3Å
429K89.1Confident91Very high163 Ų16346.2 Ų46.271%0.70923%0.233SC*.SBendtrans59.118.6-175.8-56.1-177.5179.5178.30114.7D427 G431D427-K429 VanDerWaalsContact C-N 3.29Å; D427-K429 WeakPolarHBondContact OD1-CA 3.43Å; D427-K429 PolarHBondContact OD1-N 3.47Å; K429-G431 VanDerWaalsContact C-N 3.35Å
430M85.9Confident91.2Very high0 Ų039 Ų390%020%0.204CC..SBendtrans-93.410.8-178.5-60.9-166.5-60.300113.3M428 L433 F448 E451 R452 R456M428-M430 HydrophobicContact CB-CE 3.88Å; M428-M430 HydrophobicContact CB-CG 4.15Å; M428-M430 HydrophobicContact CE-CE 4.12Å; M428-M430 HydrophobicContact CG-CE 4.37Å; M428-M430 WeakPolarHBondContact O-CG 3.41Å; M428-M430 PolarHBondContact O-N 2.91Å; M430-L433 HydrophobicContact CB-CD2 4.08Å; M430-L433 HydrophobicContact CE-CD2 3.63Å; M430-F448 HydrophobicContact CE-CB 3.79Å; M430-E451 PolarHBondContact O-N 3.01Å; M430-R452 WeakPolarHBondContact CB-O 3.45Å; M430-R452 WeakPolarHBondContact O-CB 3.49Å; M430-R452 PolarHBondContact O-N 2.55Å; M430-R456 HydrophobicContact CE-CB 3.87Å; M430-R456 HydrophobicContact SD-CB 3.46Å; M430-R456 WeakPolarHBondContact SD-CB 3.33Å; M430-R456 HydrophobicContact SD-CG 4.3Å
431G89Confident91.1Very high7 Ų739.3 Ų39.37%0.07220%0.204CC..SBendtrans71.3-149.5-170.100000111.1K408 K429 L433K408-G431 WeakPolarHBondContact CG-O 3.28Å; K429-G431 VanDerWaalsContact C-N 3.35Å; G431-L433 PolarHBondContact O-N 3.04Å
432V91.6Very high90.9Very high37 Ų3738.5 Ų38.522%0.22419%0.194CC..SBendtrans-60.9132.1176.3176.80000108.9A406 F434 G450 E451A406-V432 HydrophobicContact CB-CG1 3.88Å; V432-F434 HydrophobicContact CB-CE1 4.38Å; V432-F434 HydrophobicContact CB-CZ 4.32Å; V432-F434 HydrophobicContact CG1-CD1 4.08Å; V432-F434 HydrophobicContact CG1-CE1 3.69Å; V432-F434 HydrophobicContact CG1-CZ 4.12Å; V432-G450 CarbonylContact O-C 3.55Å; V432-G450 WeakPolarHBondContact O-CA 3.15Å; V432-E451 HydrophobicContact CB-CB 4.46Å; V432-E451 PolarHBondContact O-N 2.98Å
433L93.1Very high90.6Very high0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-92.5124.9174-60.8175.6000108.5S389 V410 M430 G431S389-L433 WeakPolarHBondContact CB-O 3.31Å; S389-L433 PolarHBondContact OG-O 3.09Å; V410-L433 HydrophobicContact CG2-CD1 3.44Å; V410-L433 VanDerWaalsContact CG2-CD1 3.44Å; M430-L433 HydrophobicContact CB-CD2 4.08Å; M430-L433 HydrophobicContact CE-CD2 3.63Å; G431-L433 PolarHBondContact O-N 3.04Å
434F91.8Very high90.5Very high77 Ų7734.1 Ų34.134%0.33817%0.171SC..EExtended strand (participates in β ladder)trans-96.6-35.1-177.6-65.2-60.4000112.7P4 V5 V432 G449 E451P4-F434 HydrophobicContact CB-CD2 4.46Å; P4-F434 HydrophobicContact CB-CE2 3.92Å; V5-F434 WeakPolarHBondContact O-CD2 3.19Å; V432-F434 HydrophobicContact CB-CE1 4.38Å; V432-F434 HydrophobicContact CB-CZ 4.32Å; V432-F434 HydrophobicContact CG1-CD1 4.08Å; V432-F434 HydrophobicContact CG1-CE1 3.69Å; V432-F434 HydrophobicContact CG1-CZ 4.12Å; F434-G449 PolarHBondContact N-O 2.58Å; F434-E451 HydrophobicContact CE2-CB 3.91Å; F434-E451 HydrophobicContact CE2-CG 4.45Å; F434-E451 HydrophobicContact CZ-CB 4.33Å
435C90.9Very high90.5Very high11 Ų1131.5 Ų31.57%0.07416%0.159CC..EExtended strand (participates in β ladder)trans-145.7155-176.3620000112.5C7 F448 G449C7-C435 VanDerWaalsContact C-SG 3.56Å; C7-C435 VanDerWaalsContact CA-SG 3.57Å; C435-F448 WeakPolarHBondContact O-CA 3.47Å; C435-G449 PolarHBondContact N-O 3.48Å; C435-G449 PolarHBondContact O-N 3.44Å
436A93.6Very high90.4Very high7 Ų729.2 Ų29.26%0.05814%0.143CC..EExtended strand (participates in β ladder)trans-138.2139.117100000109.5Q392 A447 F448Q392-A436 HydrophobicContact CG-CB 4.18Å; Q392-A436 WeakPolarHBondContact CG-O 3.16Å; Q392-A436 PolarHBondContact NE2-O 2.97Å; A436-A447 CarbonylContact C-O 3.34Å; A436-A447 WeakPolarHBondContact CA-O 3.32Å; A436-F448 HydrophobicContact CB-CD1 3.71Å; A436-F448 HydrophobicContact CB-CE1 3.78Å
437A93.7Very high90.5Very high7 Ų724.2 Ų24.26%0.05812%0.124CC..EExtended strand (participates in β ladder)trans-137.1132.9178.700000110.6A8 W10 F446 A447A8-A437 HydrophobicContact CB-CB 4.42Å; W10-A437 PolarHBondContact NE1-O 3.24Å; A437-F446 WeakPolarHBondContact O-CA 3.14Å; A437-A447 PolarHBondContact N-O 3.38Å; A437-A447 PolarHBondContact O-N 2.9Å
438C92.7Very high90.6Very high20 Ų2021.3 Ų21.314%0.13511%0.108CC..EExtended strand (participates in β ladder)trans-87.1137.8178.1-175.80000110.8W10 Q392 L393 F446W10-C438 VanDerWaalsContact CD1-C 3.47Å; Q392-C438 HydrophobicContact CB-CB 4.31Å; L393-C438 PolarHBondContact O-SG 3.1Å; C438-F446 HydrophobicContact CB-CD1 3.81Å; C438-F446 HydrophobicContact CB-CE1 3.56Å; C438-F446 HydrophobicContact CB-CZ 4.43Å; C438-F446 WeakPolarHBondContact SG-CE1 3.47Å
439C90.9Very high90.8Very high0 Ų021.1 Ų21.10%011%0.107CC..  trans-66.5128.4171-174.40000110.1W10 S395 D441 F442 V445W10-C439 HydrophobicContact CD2-CB 4.02Å; W10-C439 HydrophobicContact CE3-CB 4.1Å; W10-C439 HydrophobicContact CH2-CB 4.17Å; W10-C439 HydrophobicContact CZ2-CB 4.08Å; W10-C439 HydrophobicContact CZ3-CB 4.18Å; S395-C439 WeakPolarHBondContact CB-O 3.27Å; S395-C439 PolarHBondContact OG-O 3.33Å; C439-D441 VanDerWaalsContact C-N 3.29Å; C439-D441 PolarHBondContact O-N 2.95Å; C439-F442 HydrophobicContact CB-CB 4.36Å; C439-V445 HydrophobicContact CB-CB 3.88Å; C439-V445 HydrophobicContact CB-CG1 4.18Å; C439-V445 VanDerWaalsContact CB-O 3.23Å; C439-V445 WeakPolarHBondContact CB-O 3.36Å; C439-V445 PolarHBondContact N-O 2.78Å
440P87.1Confident90.9Very high18 Ų1813.3 Ų13.312%0.1177%0.074CC..SBendtrans-68.9-29.2179.226.6-34000112.7W10 R12 S395W10-P440 VanDerWaalsContact CB-CD 3.49Å; W10-P440 HydrophobicContact CB-CG 4.29Å; R12-P440 HydrophobicContact CB-CG 4.44Å; R12-P440 HydrophobicContact CG-CB 3.76Å; R12-P440 HydrophobicContact CG-CG 3.53Å; S395-P440 PolarHBondContact OG-O 2.79Å
441D87.3Confident91.1Very high33 Ų3316.5 Ų16.518%0.1769%0.089CC..SBendtrans-95.6-27.2-173.2-62.6-62.8000113.5R12 R13 N146 Q396 C439R12-D441 WeakPolarHBondContact CA-OD2 3.1Å; R13-D441 HydrophobicContact CG-CB 4.36Å; R13-D441 PolarHBondContact N-OD2 3.26Å; N146-D441 PolarHBondContact ND2-OD2 3.05Å; Q396-D441 PolarHBondContact NE2-O 2.77Å; C439-D441 VanDerWaalsContact C-N 3.29Å; C439-D441 PolarHBondContact O-N 2.95Å
442F87.8Confident90.9Very high37 Ų3723 Ų2316%0.16211%0.111CC..  trans-118122.7177.2-64.7-72.4000112.1H167 C439 F444 V445H167-F442 HydrophobicContact CB-CD2 4.08Å; H167-F442 HydrophobicContact CB-CE1 4.1Å; H167-F442 HydrophobicContact CB-CE2 3.31Å; H167-F442 HydrophobicContact CB-CZ 3.31Å; H167-F442 AromaticContact CD2-CD1 3.85Å; H167-F442 AromaticContact CD2-CE1 3.29Å; H167-F442 WeakPolarHBondContact CD2-CE1 3.5Å; H167-F442 AromaticContact CD2-CZ 3.44Å; H167-F442 VanDerWaalsContact CD2-CZ 3.44Å; H167-F442 WeakPolarHBondContact CD2-CZ 3.33Å; H167-F442 AromaticContact CG-CE1 3.73Å; H167-F442 AromaticContact CG-CE2 3.72Å; H167-F442 AromaticContact CG-CZ 3.47Å; H167-F442 VanDerWaalsContact CG-CZ 3.47Å; H167-F442 AromaticContact NE2-CE1 3.9Å; C439-F442 HydrophobicContact CB-CB 4.36Å; F442-F444 PolarHBondContact O-N 2.8Å; F442-V445 HydrophobicContact CB-CB 3.88Å; F442-V445 HydrophobicContact CB-CG2 3.59Å; F442-V445 HydrophobicContact CD2-CG2 4.5Å; F442-V445 HydrophobicContact CG-CG2 4.18Å; F442-V445 PolarHBondContact O-N 3.31Å
443P86.1Confident90.3Very high8 Ų827.6 Ų27.65%0.05213%0.13CC..THydrogen-bonded Turntrans-71.2-18.2-172.825.5-32.5000114.8S394 Q396 I397S394-P443 WeakPolarHBondContact CB-O 3.35Å; S394-P443 WeakPolarHBondContact OG-CA 3.26Å; S394-P443 WeakPolarHBondContact OG-CB 3.33Å; S394-P443 PolarHBondContact OG-O 2.99Å; Q396-P443 HydrophobicContact CB-CB 3.96Å; Q396-P443 HydrophobicContact CB-CG 4.47Å; Q396-P443 HydrophobicContact CG-CB 4.29Å; I397-P443 HydrophobicContact CD1-CB 3.72Å; I397-P443 HydrophobicContact CD1-CG 4.05Å; I397-P443 HydrophobicContact CG1-CB 3.77Å; I397-P443 HydrophobicContact CG1-CG 4.34Å
444F89.3Confident89.9Confident17 Ų1728 Ų288%0.07513%0.134CC..THydrogen-bonded Turntrans-109.6-1.8-175.8-60.6-61.7000113.3I397 F442 F446 D459 I460 V466 F470I397-F444 HydrophobicContact CD1-CD1 3.94Å; I397-F444 HydrophobicContact CD1-CD2 4.42Å; I397-F444 HydrophobicContact CD1-CE1 3.18Å; I397-F444 HydrophobicContact CD1-CE2 3.74Å; I397-F444 HydrophobicContact CD1-CZ 3.07Å; F442-F444 PolarHBondContact O-N 2.8Å; F444-F446 WeakPolarHBondContact O-CD2 3.41Å; F444-D459 WeakPolarHBondContact CB-OD1 3.12Å; F444-D459 WeakPolarHBondContact O-CA 3.23Å; F444-I460 HydrophobicContact CB-CG1 3.68Å; F444-I460 HydrophobicContact CD1-CD1 3.93Å; F444-I460 HydrophobicContact CD1-CG1 3.68Å; F444-I460 HydrophobicContact CG-CG1 4.14Å; F444-I460 WeakPolarHBondContact O-CG1 3.46Å; F444-I460 PolarHBondContact O-N 3.2Å; F444-V466 HydrophobicContact CD1-CG1 4.24Å; F444-V466 HydrophobicContact CE1-CG1 4.12Å; F444-F470 HydrophobicContact CE1-CB 3.81Å; F444-F470 HydrophobicContact CZ-CB 4.12Å
445V92.6Very high89.9Confident1 Ų125.3 Ų25.31%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-97.4125.8-178.8-178.90000109.5W10 Y165 C439 F442 I457 D459W10-V445 HydrophobicContact CH2-CG1 3.81Å; W10-V445 HydrophobicContact CZ2-CG1 4Å; Y165-V445 HydrophobicContact CE1-CG1 3.85Å; Y165-V445 HydrophobicContact CE1-CG2 4.47Å; C439-V445 HydrophobicContact CB-CB 3.88Å; C439-V445 HydrophobicContact CB-CG1 4.18Å; C439-V445 VanDerWaalsContact CB-O 3.23Å; C439-V445 WeakPolarHBondContact CB-O 3.36Å; C439-V445 PolarHBondContact N-O 2.78Å; F442-V445 HydrophobicContact CB-CB 3.88Å; F442-V445 HydrophobicContact CB-CG2 3.59Å; F442-V445 HydrophobicContact CD2-CG2 4.5Å; F442-V445 HydrophobicContact CG-CG2 4.18Å; F442-V445 PolarHBondContact O-N 3.31Å; V445-I457 HydrophobicContact CG1-CG2 3.44Å; V445-I457 VanDerWaalsContact CG1-CG2 3.44Å; V445-D459 HydrophobicContact CG2-CB 4.23Å
446F93.8Very high89.9Confident0 Ų028.7 Ų28.70%013%0.134CC..EExtended strand (participates in β ladder)trans-130.3142.7178.8-65.6-96.2000110.1Q392 V402 A437 C438 F444 F448 I457 W458 I460Q392-F446 HydrophobicContact CB-CD1 4.46Å; Q392-F446 HydrophobicContact CB-CE1 4.25Å; V402-F446 HydrophobicContact CB-CD1 4.2Å; V402-F446 HydrophobicContact CB-CE1 3.94Å; V402-F446 HydrophobicContact CB-CZ 4.28Å; V402-F446 HydrophobicContact CG1-CD1 4.37Å; V402-F446 HydrophobicContact CG2-CD1 4.11Å; V402-F446 HydrophobicContact CG2-CD2 4.22Å; V402-F446 HydrophobicContact CG2-CE1 3.62Å; V402-F446 HydrophobicContact CG2-CE2 3.76Å; V402-F446 HydrophobicContact CG2-CG 4.39Å; V402-F446 HydrophobicContact CG2-CZ 3.44Å; V402-F446 VanDerWaalsContact CG2-CZ 3.44Å; A437-F446 WeakPolarHBondContact O-CA 3.14Å; C438-F446 HydrophobicContact CB-CD1 3.81Å; C438-F446 HydrophobicContact CB-CE1 3.56Å; C438-F446 HydrophobicContact CB-CZ 4.43Å; C438-F446 WeakPolarHBondContact SG-CE1 3.47Å; F444-F446 WeakPolarHBondContact O-CD2 3.41Å; F446-F448 HydrophobicContact CB-CD2 4.41Å; F446-F448 HydrophobicContact CB-CE2 3.53Å; F446-F448 HydrophobicContact CB-CZ 3.6Å; F446-F448 HydrophobicContact CG-CZ 4.35Å; F446-I457 CarbonylContact O-C 3.58Å; F446-I457 WeakPolarHBondContact O-CA 3.42Å; F446-W458 PolarHBondContact N-O 2.91Å; F446-W458 PolarHBondContact O-N 3.14Å; F446-I460 HydrophobicContact CD2-CD1 4.33Å; F446-I460 HydrophobicContact CD2-CG1 4.45Å; F446-I460 HydrophobicContact CD2-CG2 4.19Å; F446-I460 HydrophobicContact CE2-CD1 3.7Å; F446-I460 HydrophobicContact CE2-CG1 4.16Å
447A94Very high89.9Confident0 Ų029.9 Ų29.90%014%0.139CC..EExtended strand (participates in β ladder)trans-101.9138170.800000109.5W10 V148 A436 A437 L455 R456W10-A447 HydrophobicContact CZ2-CB 3.75Å; V148-A447 HydrophobicContact CG1-CB 4.1Å; A436-A447 CarbonylContact C-O 3.34Å; A436-A447 WeakPolarHBondContact CA-O 3.32Å; A437-A447 PolarHBondContact N-O 3.38Å; A437-A447 PolarHBondContact O-N 2.9Å; A447-L455 HydrophobicContact CB-CD1 4.11Å; A447-R456 WeakPolarHBondContact CA-O 3.29Å
448F94.4Very high89.8Confident0 Ų030.2 Ų30.20%014%0.139CC..EExtended strand (participates in β ladder)trans-128.8130.2178.5-59.7-81.8000109.8V402 V410 M428 M430 C435 A436 F446 R456 W458V402-F448 HydrophobicContact CG1-CE1 3.93Å; V402-F448 HydrophobicContact CG1-CZ 3.76Å; V410-F448 HydrophobicContact CB-CE1 4.44Å; V410-F448 HydrophobicContact CG1-CE1 3.71Å; V410-F448 HydrophobicContact CG1-CZ 3.63Å; V410-F448 HydrophobicContact CG2-CD1 3.94Å; V410-F448 HydrophobicContact CG2-CE1 3.79Å; V410-F448 HydrophobicContact CG2-CG 4.45Å; V410-F448 HydrophobicContact CG2-CZ 4.18Å; M428-F448 HydrophobicContact CE-CD2 4.25Å; M430-F448 HydrophobicContact CE-CB 3.79Å; C435-F448 WeakPolarHBondContact O-CA 3.47Å; A436-F448 HydrophobicContact CB-CD1 3.71Å; A436-F448 HydrophobicContact CB-CE1 3.78Å; F446-F448 HydrophobicContact CB-CD2 4.41Å; F446-F448 HydrophobicContact CB-CE2 3.53Å; F446-F448 HydrophobicContact CB-CZ 3.6Å; F446-F448 HydrophobicContact CG-CZ 4.35Å; F448-R456 PolarHBondContact N-O 3.04Å; F448-R456 PolarHBondContact O-N 3.23Å; F448-W458 HydrophobicContact CD2-CB 4.34Å; F448-W458 HydrophobicContact CE2-CB 4.05Å; F448-W458 AromaticContact CE2-CE3 3.83Å; F448-W458 HydrophobicContact CE2-CE3 3.83Å; F448-W458 HydrophobicContact CZ-CE3 4.28Å
449G92.9Very high89.8Confident0 Ų031.2 Ų31.20%014%0.143CC..EExtended strand (participates in β ladder)trans-101.4128.1171.900000110.6F434 C435F434-G449 PolarHBondContact N-O 2.58Å; C435-G449 PolarHBondContact N-O 3.48Å; C435-G449 PolarHBondContact O-N 3.44Å
450G91.4Very high89.7Confident0 Ų031.2 Ų31.20%014%0.143CC..EExtended strand (participates in β ladder)trans-123.4172.6179.400000113.6P4 V5 V432 R452 G454P4-G450 WeakPolarHBondContact CA-O 3.42Å; V5-G450 PolarHBondContact N-O 3.33Å; V432-G450 CarbonylContact O-C 3.55Å; V432-G450 WeakPolarHBondContact O-CA 3.15Å; G450-R452 VanDerWaalsContact C-N 3.29Å; G450-G454 PolarHBondContact N-O 3.49Å
451E89.3Confident89.7Confident67 Ų6732.2 Ų32.231%0.31315%0.151SC..SBendtrans-65.3-33.7172.8-170.7-164.6174.500112.4M430 V432 F434M430-E451 PolarHBondContact O-N 3.01Å; V432-E451 HydrophobicContact CB-CB 4.46Å; V432-E451 PolarHBondContact O-N 2.98Å; F434-E451 HydrophobicContact CE2-CB 3.91Å; F434-E451 HydrophobicContact CE2-CG 4.45Å; F434-E451 HydrophobicContact CZ-CB 4.33Å
452R84.6Confident89.7Confident142 Ų14234.9 Ų34.954%0.53617%0.172SC..SBendtrans-123.2148-176.4-56-179.7-175.1177.8-0.1110.1M430 G450 G454M430-R452 WeakPolarHBondContact CB-O 3.45Å; M430-R452 WeakPolarHBondContact O-CB 3.49Å; M430-R452 PolarHBondContact O-N 2.55Å; G450-R452 VanDerWaalsContact C-N 3.29Å; R452-G454 PolarHBondContact O-N 3.43Å; R452-G454 VanDerWaalsContact O-N 3.17Å
453E79.4Confident89.8Confident135 Ų13534.2 Ų34.263%0.63117%0.17SC*.SBendtrans64.58.9178.7-55.4-176.4151.200115.1R456E453-R456 IonicContact OE2-CZ 3.75Å; E453-R456 IonicContact OE2-NH1 3.56Å; E453-R456 IonicContact OE2-NH2 2.85Å; E453-R456 PolarHBondContact OE2-NH2 3.36Å
454G84.8Confident89.9Confident9 Ų937.6 Ų37.69%0.09319%0.194CC..  trans72.1-127.1169.600000113.8V5 G450 R452V5-G454 VanDerWaalsContact CG2-C 3.49Å; G450-G454 PolarHBondContact N-O 3.49Å; R452-G454 PolarHBondContact O-N 3.43Å; R452-G454 VanDerWaalsContact O-N 3.17Å
455L90.9Very high89.9Confident19 Ų1938.6 Ų38.610%0.09921%0.205CC..EExtended strand (participates in β ladder)trans-95.5132.5-179.2-178.168.3000110.2V5 A8 V148 C150 F172 A447V5-L455 HydrophobicContact CG1-CD1 4.49Å; V5-L455 HydrophobicContact CG2-CB 4.28Å; A8-L455 HydrophobicContact CB-CD1 4.13Å; V148-L455 HydrophobicContact CB-CD2 4.32Å; V148-L455 HydrophobicContact CG1-CD2 3.68Å; C150-L455 HydrophobicContact CB-CB 4.48Å; C150-L455 HydrophobicContact CB-CD1 4.26Å; C150-L455 HydrophobicContact CB-CD2 3.9Å; C150-L455 HydrophobicContact CB-CG 4.44Å; F172-L455 HydrophobicContact CE2-CD2 4.42Å; F172-L455 HydrophobicContact CZ-CD2 3.77Å; F172-L455 HydrophobicContact CZ-CG 4.28Å; A447-L455 HydrophobicContact CB-CD1 4.11Å
456R91.4Very high89.7Confident83 Ų8338.5 Ų38.531%0.31320%0.204SC..EExtended strand (participates in β ladder)trans-128.4131.4173.4-177.9171.2-71.6166.53.3111.6M428 M430 A447 F448 E453M428-R456 HydrophobicContact CE-CG 4.17Å; M428-R456 PolarHBondContact O-NH1 2.92Å; M430-R456 HydrophobicContact CE-CB 3.87Å; M430-R456 HydrophobicContact SD-CB 3.46Å; M430-R456 WeakPolarHBondContact SD-CB 3.33Å; M430-R456 HydrophobicContact SD-CG 4.3Å; A447-R456 WeakPolarHBondContact CA-O 3.29Å; F448-R456 PolarHBondContact N-O 3.04Å; F448-R456 PolarHBondContact O-N 3.23Å; E453-R456 IonicContact OE2-CZ 3.75Å; E453-R456 IonicContact OE2-NH1 3.56Å; E453-R456 IonicContact OE2-NH2 2.85Å; E453-R456 PolarHBondContact OE2-NH2 3.36Å
457I92.8Very high89.4Confident31 Ų3142.6 Ų42.616%0.15923%0.226CC..EExtended strand (participates in β ladder)trans-92.1137.3169.4-59.7179000109W10 V148 Y165 F172 V445 F446W10-I457 HydrophobicContact CH2-CD1 3.88Å; W10-I457 HydrophobicContact CH2-CG1 4.38Å; W10-I457 HydrophobicContact CH2-CG2 4.35Å; W10-I457 HydrophobicContact CZ2-CD1 4.37Å; W10-I457 HydrophobicContact CZ2-CG1 4.41Å; W10-I457 HydrophobicContact CZ2-CG2 4.49Å; V148-I457 HydrophobicContact CG2-CD1 4.04Å; Y165-I457 HydrophobicContact CD1-CD1 4.5Å; Y165-I457 HydrophobicContact CD2-CD1 3.4Å; Y165-I457 HydrophobicContact CD2-CG2 4.37Å; Y165-I457 HydrophobicContact CE2-CD1 4.05Å; Y165-I457 HydrophobicContact CE2-CG2 3.96Å; Y165-I457 HydrophobicContact CG-CD1 3.67Å; F172-I457 HydrophobicContact CD2-CD1 3.28Å; F172-I457 HydrophobicContact CD2-CG1 4.29Å; F172-I457 HydrophobicContact CE2-CD1 3.26Å; F172-I457 HydrophobicContact CE2-CG1 4Å; F172-I457 HydrophobicContact CG-CD1 3.94Å; F172-I457 HydrophobicContact CZ-CD1 3.92Å; F172-I457 HydrophobicContact CZ-CG1 4.17Å; V445-I457 HydrophobicContact CG1-CG2 3.44Å; V445-I457 VanDerWaalsContact CG1-CG2 3.44Å; F446-I457 CarbonylContact O-C 3.58Å; F446-I457 WeakPolarHBondContact O-CA 3.42Å
458W92.5Very high89Confident15 Ų1548.8 Ų48.86%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-135.5123.2176.5-178.926.3000110.9V410 I412 H424 R426 M428 F446 F448 I460 I463V410-W458 HydrophobicContact CB-CZ3 4.06Å; V410-W458 HydrophobicContact CG1-CE3 4.38Å; V410-W458 HydrophobicContact CG1-CZ3 3.81Å; I412-W458 HydrophobicContact CD1-CH2 4.16Å; I412-W458 HydrophobicContact CD1-CZ3 4.49Å; H424-W458 AromaticContact CD2-CH2 3.95Å; R426-W458 HydrophobicContact CB-CH2 3.74Å; R426-W458 HydrophobicContact CB-CZ2 4.4Å; R426-W458 HydrophobicContact CB-CZ3 4.31Å; R426-W458 VanDerWaalsContact CD-CZ2 3.42Å; R426-W458 HydrophobicContact CG-CH2 4.27Å; R426-W458 VanDerWaalsContact NH1-NE1 3.17Å; M428-W458 HydrophobicContact CE-CB 4.25Å; M428-W458 HydrophobicContact CE-CD2 4.46Å; M428-W458 HydrophobicContact CE-CE3 4.25Å; M428-W458 HydrophobicContact CE-CG 4.49Å; M428-W458 HydrophobicContact SD-CD2 4.44Å; M428-W458 HydrophobicContact SD-CE3 4.01Å; M428-W458 HydrophobicContact SD-CZ3 4.3Å; F446-W458 PolarHBondContact N-O 2.91Å; F446-W458 PolarHBondContact O-N 3.14Å; F448-W458 HydrophobicContact CD2-CB 4.34Å; F448-W458 HydrophobicContact CE2-CB 4.05Å; F448-W458 AromaticContact CE2-CE3 3.83Å; F448-W458 HydrophobicContact CE2-CE3 3.83Å; F448-W458 HydrophobicContact CZ-CE3 4.28Å; W458-I460 HydrophobicContact CD2-CG2 3.96Å; W458-I460 HydrophobicContact CE3-CG2 3.99Å; W458-I460 HydrophobicContact CH2-CG2 4.33Å; W458-I460 HydrophobicContact CZ2-CG2 4.31Å; W458-I460 HydrophobicContact CZ3-CG2 4.16Å; W458-I463 HydrophobicContact CH2-CD1 3.86Å; W458-I463 HydrophobicContact CZ2-CD1 3.32Å; W458-I463 HydrophobicContact CZ2-CG1 4.23Å
459D91.6Very high88.6Confident40 Ų4051.3 Ų51.321%0.21427%0.27CS..EExtended strand (participates in β ladder)trans-87.4112.5165.9-172.7-2.9000111H167 F444 V445 S461 S462H167-D459 IonicContact CE1-OD2 3.02Å; F444-D459 WeakPolarHBondContact CB-OD1 3.12Å; F444-D459 WeakPolarHBondContact O-CA 3.23Å; V445-D459 HydrophobicContact CG2-CB 4.23Å; D459-S461 VanDerWaalsContact C-N 3.26Å; D459-S461 PolarHBondContact O-N 2.99Å; D459-S461 WeakPolarHBondContact OD1-CB 3.47Å; D459-S461 PolarHBondContact OD1-N 3.13Å; D459-S461 PolarHBondContact OD1-OG 3.44Å; D459-S461 PolarHBondContact OD2-OG 2.96Å; D459-S462 PolarHBondContact O-OG 2.88Å
460I89.9Confident88.3Confident0 Ų051.3 Ų51.30%027%0.271CS..G310 helixtrans-76.3-11.9179.168.6170.2000112.9V402 I412 F444 F446 W458 S462 I463 V466V402-I460 HydrophobicContact CG2-CD1 4.47Å; I412-I460 HydrophobicContact CD1-CB 3.74Å; I412-I460 HydrophobicContact CD1-CD1 4.03Å; I412-I460 HydrophobicContact CD1-CG1 4.46Å; I412-I460 HydrophobicContact CD1-CG2 3.58Å; I412-I460 HydrophobicContact CG2-CD1 4.36Å; F444-I460 HydrophobicContact CB-CG1 3.68Å; F444-I460 HydrophobicContact CD1-CD1 3.93Å; F444-I460 HydrophobicContact CD1-CG1 3.68Å; F444-I460 HydrophobicContact CG-CG1 4.14Å; F444-I460 WeakPolarHBondContact O-CG1 3.46Å; F444-I460 PolarHBondContact O-N 3.2Å; F446-I460 HydrophobicContact CD2-CD1 4.33Å; F446-I460 HydrophobicContact CD2-CG1 4.45Å; F446-I460 HydrophobicContact CD2-CG2 4.19Å; F446-I460 HydrophobicContact CE2-CD1 3.7Å; F446-I460 HydrophobicContact CE2-CG1 4.16Å; W458-I460 HydrophobicContact CD2-CG2 3.96Å; W458-I460 HydrophobicContact CE3-CG2 3.99Å; W458-I460 HydrophobicContact CH2-CG2 4.33Å; W458-I460 HydrophobicContact CZ2-CG2 4.31Å; W458-I460 HydrophobicContact CZ3-CG2 4.16Å; I460-S462 PolarHBondContact O-N 3.32Å; I460-I463 PolarHBondContact O-N 3.35Å; I460-V466 HydrophobicContact CB-CG1 4.31Å; I460-V466 HydrophobicContact CD1-CG1 3.88Å; I460-V466 HydrophobicContact CG1-CG1 3.93Å; I460-V466 WeakPolarHBondContact O-CB 3.27Å
461S87.4Confident87.7Confident40 Ų4052.3 Ų52.328%0.2828%0.281SS..G310 helixtrans-64.2-26178800000112.6D459 I463D459-S461 VanDerWaalsContact C-N 3.26Å; D459-S461 PolarHBondContact O-N 2.99Å; D459-S461 WeakPolarHBondContact OD1-CB 3.47Å; D459-S461 PolarHBondContact OD1-N 3.13Å; D459-S461 PolarHBondContact OD1-OG 3.44Å; D459-S461 PolarHBondContact OD2-OG 2.96Å; S461-I463 PolarHBondContact O-N 3.48Å; S461-I463 VanDerWaalsContact O-N 3.11Å
462S87Confident87.2Confident89 Ų8956.3 Ų56.362%0.62230%0.304SS*.G310 helixtrans-59.7-18.2175.360.50000113.7D459 I460D459-S462 PolarHBondContact O-OG 2.88Å; I460-S462 PolarHBondContact O-N 3.32Å
463I90.3Very high87.1Confident23 Ų2352.3 Ų52.312%0.11829%0.289CS..SBendtrans-90.3121.1-179.2-55.5165.1000110.1I412 H424 W458 I460 S461 A465 V466 N467I412-I463 HydrophobicContact CD1-CD1 4.08Å; H424-I463 HydrophobicContact CB-CD1 4.37Å; H424-I463 VanDerWaalsContact CD2-CD1 3.49Å; H424-I463 WeakPolarHBondContact CD2-CD1 3.5Å; W458-I463 HydrophobicContact CH2-CD1 3.86Å; W458-I463 HydrophobicContact CZ2-CD1 3.32Å; W458-I463 HydrophobicContact CZ2-CG1 4.23Å; I460-I463 PolarHBondContact O-N 3.35Å; S461-I463 PolarHBondContact O-N 3.48Å; S461-I463 VanDerWaalsContact O-N 3.11Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 HydrophobicContact CG2-CB 4.18Å; I463-A465 PolarHBondContact O-N 3.1Å; I463-V466 HydrophobicContact CB-CB 4.1Å; I463-V466 HydrophobicContact CB-CG2 3.83Å; I463-V466 HydrophobicContact CD1-CG2 3.97Å; I463-V466 HydrophobicContact CG2-CB 4.5Å; I463-V466 HydrophobicContact CG2-CG2 3.98Å; I463-V466 PolarHBondContact O-N 3.28Å; I463-V466 VanDerWaalsContact O-N 3.07Å; I463-N467 PolarHBondContact O-N 3.27Å
464S86.7Confident87Confident79 Ų7953.9 Ų53.955%0.55230%0.297SS*.Hα-helixtrans-52.5-46.6178.3-163.60000112.8V466 N467 E468S464-V466 VanDerWaalsContact C-N 3.3Å; S464-V466 PolarHBondContact O-N 3.39Å; S464-N467 PolarHBondContact O-N 3.38Å; S464-N467 VanDerWaalsContact O-N 3.16Å; S464-E468 WeakPolarHBondContact O-CB 3.36Å; S464-E468 VanDerWaalsContact O-CG 3.3Å; S464-E468 WeakPolarHBondContact O-CG 3.36Å; S464-E468 PolarHBondContact O-N 2.99Å; S464-E468 PolarHBondContact OG-OE1 2.78Å
465A89.7Confident86.8Confident37 Ų3760.7 Ų60.731%0.30632%0.319SS..Hα-helixtrans-61.2-36.2-179.300000113.2I423 I463 V469I423-A465 HydrophobicContact CG2-CB 4.04Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 HydrophobicContact CG2-CB 4.18Å; I463-A465 PolarHBondContact O-N 3.1Å; A465-V469 WeakPolarHBondContact O-CG2 3.35Å; A465-V469 PolarHBondContact O-N 3.35Å
466V88.1Confident86.1Confident0 Ų063.5 Ų63.50%033%0.334CS..Hα-helixtrans-70.5-45.4176.5175.40000109.4I412 I423 H424 F444 I460 I463 S464 E468 V469 F470I412-V466 HydrophobicContact CD1-CG2 3.78Å; I412-V466 HydrophobicContact CG2-CG2 4.43Å; I423-V466 HydrophobicContact CG2-CG2 4.04Å; H424-V466 HydrophobicContact CB-CG2 4.4Å; F444-V466 HydrophobicContact CD1-CG1 4.24Å; F444-V466 HydrophobicContact CE1-CG1 4.12Å; I460-V466 HydrophobicContact CB-CG1 4.31Å; I460-V466 HydrophobicContact CD1-CG1 3.88Å; I460-V466 HydrophobicContact CG1-CG1 3.93Å; I460-V466 WeakPolarHBondContact O-CB 3.27Å; I463-V466 HydrophobicContact CB-CB 4.1Å; I463-V466 HydrophobicContact CB-CG2 3.83Å; I463-V466 HydrophobicContact CD1-CG2 3.97Å; I463-V466 HydrophobicContact CG2-CB 4.5Å; I463-V466 HydrophobicContact CG2-CG2 3.98Å; I463-V466 PolarHBondContact O-N 3.28Å; I463-V466 VanDerWaalsContact O-N 3.07Å; S464-V466 VanDerWaalsContact C-N 3.3Å; S464-V466 PolarHBondContact O-N 3.39Å; V466-E468 PolarHBondContact O-N 2.86Å; V466-V469 PolarHBondContact O-N 2.95Å; V466-F470 HydrophobicContact CB-CD2 4.38Å; V466-F470 HydrophobicContact CG1-CD2 3.65Å; V466-F470 HydrophobicContact CG1-CE2 4.27Å; V466-F470 WeakPolarHBondContact O-CB 3.44Å; V466-F470 WeakPolarHBondContact O-CD2 3.18Å; V466-F470 PolarHBondContact O-N 3.04Å
467N87.8Confident84.6Confident85 Ų8563.4 Ų63.446%0.45535%0.351SS..Hα-helixtrans-66-36.2-179.6-160.610.6000112.6I463 S464 V469 G471I463-N467 PolarHBondContact O-N 3.27Å; S464-N467 PolarHBondContact O-N 3.38Å; S464-N467 VanDerWaalsContact O-N 3.16Å; N467-V469 PolarHBondContact O-N 3.3Å; N467-G471 WeakPolarHBondContact O-CA 3.49Å; N467-G471 PolarHBondContact O-N 2.93Å; N467-G471 WeakPolarHBondContact OD1-CA 3.48Å
468E86.8Confident83Confident130 Ų13065.5 Ų65.561%0.60736%0.362SS*.Hα-helixtrans-61.6-41.1175.2-76.7167.2-146.400112.5S464 V466S464-E468 WeakPolarHBondContact O-CB 3.36Å; S464-E468 VanDerWaalsContact O-CG 3.3Å; S464-E468 WeakPolarHBondContact O-CG 3.36Å; S464-E468 PolarHBondContact O-N 2.99Å; S464-E468 PolarHBondContact OG-OE1 2.78Å; V466-E468 PolarHBondContact O-N 2.86Å
469V85.1Confident80.5Confident53 Ų5370.8 Ų70.832%0.32140%0.396SS..Hα-helixtrans-84.4-40.5-176.8178.10000112.5I423 A465 V466 N467 R473I423-V469 HydrophobicContact CD1-CB 4.07Å; I423-V469 HydrophobicContact CD1-CG1 3.78Å; I423-V469 HydrophobicContact CD1-CG2 4.22Å; I423-V469 HydrophobicContact CG1-CG2 4.49Å; A465-V469 WeakPolarHBondContact O-CG2 3.35Å; A465-V469 PolarHBondContact O-N 3.35Å; V466-V469 PolarHBondContact O-N 2.95Å; N467-V469 PolarHBondContact O-N 3.3Å; V469-R473 PolarHBondContact O-NE 2.96Å
470F86.8Confident77.8Confident1 Ų171.6 Ų71.60%0.00441%0.414CS..Hα-helixtrans-107.4-23.4-170.1-62.1-64.7000114I397 C400 I412 D414 I423 F444 V466 N472 R473I397-F470 HydrophobicContact CD1-CB 4.29Å; I397-F470 HydrophobicContact CG2-CB 4.09Å; I397-F470 HydrophobicContact CG2-CD1 3.65Å; I397-F470 HydrophobicContact CG2-CE1 4.49Å; I397-F470 HydrophobicContact CG2-CG 4.2Å; C400-F470 HydrophobicContact CB-CD1 3.95Å; C400-F470 HydrophobicContact CB-CE1 3.58Å; C400-F470 HydrophobicContact CB-CE2 4.27Å; C400-F470 HydrophobicContact CB-CG 4.45Å; C400-F470 HydrophobicContact CB-CZ 3.74Å; I412-F470 HydrophobicContact CG2-CE2 4.04Å; D414-F470 HydrophobicContact CB-CE1 4.19Å; D414-F470 HydrophobicContact CB-CZ 4.01Å; I423-F470 HydrophobicContact CD1-CD2 4.15Å; I423-F470 HydrophobicContact CD1-CE1 4.28Å; I423-F470 HydrophobicContact CD1-CE2 3.16Å; I423-F470 HydrophobicContact CD1-CZ 3.25Å; F444-F470 HydrophobicContact CE1-CB 3.81Å; F444-F470 HydrophobicContact CZ-CB 4.12Å; V466-F470 HydrophobicContact CB-CD2 4.38Å; V466-F470 HydrophobicContact CG1-CD2 3.65Å; V466-F470 HydrophobicContact CG1-CE2 4.27Å; V466-F470 WeakPolarHBondContact O-CB 3.44Å; V466-F470 WeakPolarHBondContact O-CD2 3.18Å; V466-F470 PolarHBondContact O-N 3.04Å; F470-N472 PolarHBondContact O-N 3.17Å; F470-R473 PolarHBondContact O-N 2.87Å; F470-R473 VanDerWaalsContact O-N 3.09Å
471G78.7Confident75.1Confident21 Ų2176.4 Ų76.422%0.21645%0.454CS..THydrogen-bonded Turntrans-61.7-31.4-176.700000113.4N467N467-G471 WeakPolarHBondContact O-CA 3.49Å; N467-G471 PolarHBondContact O-N 2.93Å; N467-G471 WeakPolarHBondContact OD1-CA 3.48Å
472N78.5Confident72.4Confident150 Ų15082 Ų8280%0.80248%0.481SS*.THydrogen-bonded Turntrans-89.3-1.9178.9-64.9-38.4000114.2F470F470-N472 PolarHBondContact O-N 3.17Å
473R82.9Confident69.5Low58 Ų5884.1 Ų84.122%0.21949%0.49CS..SBendtrans-80.9148.6-177-66-171.6-171.6-165-10.6111.5I397 K398 D414 V469 F470 R475I397-R473 HydrophobicContact CG2-CB 4.36Å; K398-R473 PolarHBondContact O-NH1 2.97Å; D414-R473 IonicContact OD1-CZ 3.98Å; D414-R473 IonicContact OD1-NH1 3.55Å; D414-R473 PolarHBondContact OD1-NH1 3.01Å; D414-R473 IonicContact OD1-NH2 2.75Å; D414-R473 PolarHBondContact OD1-NH2 3.3Å; D414-R473 IonicContact OD2-CZ 3.57Å; D414-R473 IonicContact OD2-NH1 3.94Å; D414-R473 IonicContact OD2-NH2 3.89Å; D414-R473 PolarHBondContact OD2-NH2 3Å; V469-R473 PolarHBondContact O-NE 2.96Å; F470-R473 PolarHBondContact O-N 2.87Å; F470-R473 VanDerWaalsContact O-N 3.09Å; R473-R475 PolarHBondContact O-N 3.13Å
474E77.7Confident66.7Low169 Ų16990.1 Ų90.179%0.7953%0.528SS*.PPolyproline II helixtrans-60.2128.6172-68.9-176.3170.100110.5
475R80.9Confident63.9Low151 Ų15190.3 Ų90.357%0.5753%0.534SS*.BIsolated β-bridgetrans-89.3137.7175.8-58.9-179.1-171.9-1790.9109.1Q396 R473 A477Q396-R475 HydrophobicContact CB-CB 4.36Å; R473-R475 PolarHBondContact O-N 3.13Å; R475-A477 PolarHBondContact O-N 2.81Å
476L75.9Confident60.9Low79 Ų7994.5 Ų94.541%0.41456%0.56SS.*PPolyproline II helixtrans-70.5122.7170-131.2136.5000108.8F353 Q396 L478F353-L476 HydrophobicContact CD1-CD1 3.18Å; F353-L476 HydrophobicContact CE1-CB 4.11Å; F353-L476 HydrophobicContact CE1-CD1 3.26Å; F353-L476 HydrophobicContact CE1-CG 4.3Å; F353-L476 HydrophobicContact CG-CD1 4.46Å; Q396-L476 PolarHBondContact O-N 3Å; L476-L478 PolarHBondContact O-N 3.13Å
477A60.5Low58.1Low80 Ų80100.1 Ų100.166%0.66160%0.599SS**PPolyproline II helixtrans-65.9121.5176.500000109.2R475 T479R475-A477 PolarHBondContact O-N 2.81Å; A477-T479 PolarHBondContact O-N 2.94Å
478L57.3Low55.4Low75 Ų75101.7 Ų101.739%0.39362%0.616SS.*  trans-6898.8164.7-70.5166.2000107Q396 L476 G480Q396-L478 HydrophobicContact CG-CG 4.45Å; Q396-L478 VanDerWaalsContact NE2-CD1 3.26Å; L476-L478 PolarHBondContact O-N 3.13Å; L478-G480 VanDerWaalsContact C-N 3.32Å; L478-G480 PolarHBondContact O-N 2.7Å
479T41.2Very low52.8Low126 Ų126104.2 Ų104.277%0.77363%0.633SS**  trans-6899.1165.348.60000107A477 A481A477-T479 PolarHBondContact O-N 2.94Å; T479-A481 PolarHBondContact O-N 3.05Å
480G34.1Very low50.1Low58 Ų58105.8 Ų105.860%0.59865%0.652SS**  trans-52134.116100000108.2L478 N482L478-G480 VanDerWaalsContact C-N 3.32Å; L478-G480 PolarHBondContact O-N 2.7Å; G480-N482 PolarHBondContact O-N 2.98Å
481A33.4Very low47.4Very low101 Ų101113.3 Ų113.384%0.83569%0.692SS**SBendtrans-66.978.7173.700000108.9T479T479-A481 PolarHBondContact O-N 3.05Å
482N31.2Very low45.2Very low156 Ų156118.5 Ų118.583%0.83473%0.725SS**  trans-178.174.8161.6-94.4-19.7000108.7G480G480-N482 PolarHBondContact O-N 2.98Å
483T26.4Very low43Very low135 Ų135116.7 Ų116.783%0.82872%0.724SS**  trans-164.497.7146.428.70000108.2A485T483-A485 PolarHBondContact O-N 3.18Å
484V30.9Very low40.5Very low149 Ų149117.2 Ų117.290%0.90375%0.747SS**  trans-78.6117.3164175.50000108.1
485A28Very low38.4Very low83 Ų83116.3 Ų116.369%0.68675%0.748SS**  trans76.6144.1147.100000122.2T483T483-A485 PolarHBondContact O-N 3.18Å
486C27.4Very low36.1Very low125 Ų125117.3 Ų117.385%0.84577%0.765SS**  trans9095153.3-69.70000118.5
487S28.9Very low34.2Very low118 Ų118120.7 Ų120.783%0.82578%0.782SS**  176.3109.3113.856.80000112.3
488S30.4Very low33Very low117 Ų117125.8 Ų125.882%0.81879%0.793SS**  trans-172.451.4149.254.70000113.2
489L32.5Very low32Very low183 Ų183129.1 Ų129.196%0.95882%0.816SS**  trans-139.376.3160.7-83.1170.1000109.7
490A28.8Very low31.7Very low87 Ų87127.3 Ų127.372%0.71981%0.814SS**  trans-155.9105.9159.500000109.7
491N28.8Very low31.9Very low159 Ų159132.4 Ų132.485%0.8582%0.824SS**  trans136.583.6147.8-74.3-7.8000113.5
492S33.4Very low32.2Very low129 Ų129135.1 Ų135.190%0.90282%0.82SS**  trans-138.275.314858.40000109.3
493S32Very low32.7Very low112 Ų112137.1 Ų137.178%0.78385%0.846SS**  trans-142.1115.8166.859.20000109.9
494G29.8Very low33Very low69 Ų69137.2 Ų137.271%0.71185%0.847SS**  trans114.991.8161.700000114.2
495N33.7Very low33.1Very low150 Ų150136.6 Ų136.680%0.80284%0.844SS**  trans-17982.4134.9-90-11.5000109.7
496N33.4Very low33.4Very low172 Ų172139.6 Ų139.692%0.9285%0.852SS**  trans-105.9105152.9-88.2-22.3000106.5
497L36.7Very low33.7Very low150 Ų150140.4 Ų140.479%0.78585%0.853SS**  trans-66.8139.5174-90101000110.7
498E33.9Very low34Very low187 Ų187141.8 Ų141.887%0.87485%0.854SS**  trans-47.2138.2167.7-67.3166.6118.900112.8
499T37.5Very low34.3Very low146 Ų146143.5 Ų143.590%0.89686%0.857SS**  trans-136.399.9156-19.90000107.7
500A34.6Very low34.4Very low87 Ų87140.6 Ų140.672%0.71985%0.85SS**  trans-151.6140.1165.200000110.4
501M37.2Very low34.9Very low165 Ų165144.8 Ų144.881%0.81386%0.86SS**  trans81.5136.7168.6-61.7-178.8161.600116.4
502E40.2Very low35.4Very low159 Ų159143.6 Ų143.674%0.74386%0.86SS**  cis-170.1157.92.8-117.4168.1169.200108.4
503S41.9Very low35.5Very low197 Ų197144.9 Ų144.9100%1.37886%0.857SS**  trans123.10156.464.20000117.1

Retrieved 503 of 503 residues in 257.9 ms (Link to these results)

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