A0A077ZFN0_TRITR Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A077ZFN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 721 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
1M38.5Very low60.4Low135 Ų135108.6 Ų108.667%0.66555%0.546SS*.  080.40-88.9169.8148.900108T3M1-T3 VanDerWaalsContact C-N 3.31Å
2T30.2Very low62.7Low138 Ų13899.6 Ų99.685%0.84750%0.501SS*.  trans-100.164.8166.936.40000106.9D4T2-D4 PolarHBondContact O-N 3.31Å
3T37.8Very low64.5Low76 Ų76101.5 Ų101.547%0.46650%0.498SS..  trans-71.3123168.2240000107.4M1 K5 E413M1-T3 VanDerWaalsContact C-N 3.31Å; T3-K5 PolarHBondContact O-N 2.86Å; T3-E413 PolarHBondContact OG1-OE1 3.08Å
4D42.5Very low66.3Low109 Ų109100.5 Ų100.558%0.58350%0.495SS*.  trans-39.6107.5178.9-159.1-22.1000111.1T2 S6 N7T2-D4 PolarHBondContact O-N 3.31Å; D4-S6 PolarHBondContact O-N 3.34Å; D4-S6 WeakPolarHBondContact OD1-CB 3.33Å; D4-S6 PolarHBondContact OD1-OG 2.93Å; D4-N7 PolarHBondContact O-N 2.79Å
5K45.1Very low67.8Low173 Ų17397.5 Ų97.575%0.75249%0.485SS*.G310 helixtrans-58-10.1-175.7-72178.5179.3170.40112.8T3 N7T3-K5 PolarHBondContact O-N 2.86Å; K5-N7 VanDerWaalsContact C-N 3.35Å
6S51.8Low68.9Low69 Ų6993.1 Ų93.148%0.48346%0.464SS..G310 helixtrans-74.7-15.1-179.966.10000114.8D4D4-S6 PolarHBondContact O-N 3.34Å; D4-S6 WeakPolarHBondContact OD1-CB 3.33Å; D4-S6 PolarHBondContact OD1-OG 2.93Å
7N70.7Confident70Confident123 Ų12394.7 Ų94.766%0.65847%0.468SS*.G310 helixtrans-86.5-11.4-169.7-87.2-38.4000116.8D4 K5D4-N7 PolarHBondContact O-N 2.79Å; K5-N7 VanDerWaalsContact C-N 3.35Å
8Y82Confident71Confident30 Ų3095.2 Ų95.212%0.11847%0.472CS..SBendtrans-86.9143.9-178.6-67.6-64.9000112.6V12 R13 E406 A410 E413Y8-V12 HydrophobicContact CD1-CG1 4.34Å; Y8-V12 HydrophobicContact CG-CG1 4.35Å; Y8-R13 VanDerWaalsContact O-CZ 3.23Å; Y8-R13 PolarHBondContact O-NE 3.17Å; Y8-R13 PolarHBondContact O-NH2 3.34Å; Y8-E406 HydrophobicContact CD1-CB 4.42Å; Y8-E406 HydrophobicContact CD1-CG 4.18Å; Y8-A410 HydrophobicContact CD1-CB 4Å; Y8-A410 HydrophobicContact CD2-CB 4.11Å; Y8-A410 HydrophobicContact CE1-CB 3.82Å; Y8-A410 HydrophobicContact CE2-CB 3.93Å; Y8-A410 HydrophobicContact CG-CB 4.15Å; Y8-E413 WeakPolarHBondContact CE2-OE2 3.35Å; Y8-E413 PolarHBondContact OH-OE1 2.86Å; Y8-E413 PolarHBondContact OH-OE2 2.78Å
9S86.9Confident71.7Confident44 Ų4491.7 Ų91.731%0.30846%0.456SS..  trans-49.7146.1169.8-620000112.3W11 V12 R13 E406S9-W11 VanDerWaalsContact C-N 3.29Å; S9-W11 PolarHBondContact O-N 3Å; S9-V12 WeakPolarHBondContact O-CB 3.13Å; S9-V12 PolarHBondContact O-N 3.49Å; S9-V12 VanDerWaalsContact O-N 3.12Å; S9-R13 PolarHBondContact O-N 3.22Å; S9-R13 VanDerWaalsContact O-N 3.14Å; S9-E406 WeakPolarHBondContact CB-OE2 3.26Å; S9-E406 PolarHBondContact OG-OE2 3.12Å
10W89.5Confident72.4Confident186 Ų18694.1 Ų94.171%0.70546%0.459SS*.Hα-helixtrans-58.5-38.6-174.172.8-91.4000113.1R13 L14W10-R13 WeakPolarHBondContact O-CB 3.41Å; W10-R13 PolarHBondContact O-N 3.43Å; W10-L14 HydrophobicContact CZ3-CD2 4.23Å; W10-L14 PolarHBondContact O-N 2.9Å
11W89.6Confident73.1Confident112 Ų11292.6 Ų92.642%0.42446%0.458SS..Hα-helixtrans-70.1-34.1-179.966.2-92.3000111.5S9 R13 L14 V15 L407S9-W11 VanDerWaalsContact C-N 3.29Å; S9-W11 PolarHBondContact O-N 3Å; W11-R13 VanDerWaalsContact C-N 3.32Å; W11-L14 WeakPolarHBondContact O-CB 3.35Å; W11-L14 PolarHBondContact O-N 3.02Å; W11-V15 WeakPolarHBondContact O-CG2 3.36Å; W11-V15 PolarHBondContact O-N 3.4Å; W11-L407 HydrophobicContact CH2-CB 4.03Å; W11-L407 HydrophobicContact CZ3-CB 4.2Å; W11-L407 HydrophobicContact CZ3-CD1 4.3Å; W11-L407 HydrophobicContact CZ3-CD2 4.12Å; W11-L407 HydrophobicContact CZ3-CG 4.43Å
12V87.9Confident75.3Confident0 Ų090.7 Ų90.70%044%0.443CS..Hα-helixtrans-62.9-43.1172.41750000109.9Y8 S9 L14 V15 V16 E406 L407 A410Y8-V12 HydrophobicContact CD1-CG1 4.34Å; Y8-V12 HydrophobicContact CG-CG1 4.35Å; S9-V12 WeakPolarHBondContact O-CB 3.13Å; S9-V12 PolarHBondContact O-N 3.49Å; S9-V12 VanDerWaalsContact O-N 3.12Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.8Å; V12-V15 PolarHBondContact O-N 3.28Å; V12-V16 HydrophobicContact CG1-CG2 4.5Å; V12-V16 WeakPolarHBondContact O-CG2 3.36Å; V12-V16 PolarHBondContact O-N 2.95Å; V12-E406 HydrophobicContact CG2-CB 4.32Å; V12-L407 HydrophobicContact CG1-CD1 4.2Å; V12-L407 HydrophobicContact CG2-CB 4.33Å; V12-A410 HydrophobicContact CG1-CB 3.45Å; V12-A410 VanDerWaalsContact CG1-CB 3.45Å
13R86.6Confident77.7Confident125 Ų12584.2 Ų84.247%0.47240%0.403SS..Hα-helixtrans-61-39.9174.8-71.5-177.1-100.5-178.8-10.8112Y8 S9 W10 W11 V16 F17Y8-R13 VanDerWaalsContact O-CZ 3.23Å; Y8-R13 PolarHBondContact O-NE 3.17Å; Y8-R13 PolarHBondContact O-NH2 3.34Å; S9-R13 PolarHBondContact O-N 3.22Å; S9-R13 VanDerWaalsContact O-N 3.14Å; W10-R13 WeakPolarHBondContact O-CB 3.41Å; W10-R13 PolarHBondContact O-N 3.43Å; W11-R13 VanDerWaalsContact C-N 3.32Å; R13-V16 PolarHBondContact O-N 3.27Å; R13-F17 VanDerWaalsContact O-CB 3.32Å; R13-F17 WeakPolarHBondContact O-CB 3.49Å; R13-F17 PolarHBondContact O-N 3.47Å
14L89Confident79.8Confident87 Ų8784.2 Ų84.246%0.45541%0.406SS..Hα-helixtrans-62.2-45.2174.6-177.566.2000111.6W10 W11 V12 F17 L18W10-L14 HydrophobicContact CZ3-CD2 4.23Å; W10-L14 PolarHBondContact O-N 2.9Å; W11-L14 WeakPolarHBondContact O-CB 3.35Å; W11-L14 PolarHBondContact O-N 3.02Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 PolarHBondContact O-N 2.8Å; L14-F17 WeakPolarHBondContact O-CB 3.4Å; L14-F17 PolarHBondContact O-N 3.09Å; L14-L18 HydrophobicContact CG-CD1 4.45Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.95Å
15V88.6Confident81.8Confident55 Ų5584.1 Ų84.133%0.33341%0.405SS..Hα-helixtrans-63.5-44.3178.1176.30000111.6W11 V12 F17 L18 L19 L407 L411W11-V15 WeakPolarHBondContact O-CG2 3.36Å; W11-V15 PolarHBondContact O-N 3.4Å; V12-V15 PolarHBondContact O-N 3.28Å; V15-F17 VanDerWaalsContact C-N 3.28Å; V15-F17 PolarHBondContact O-N 3.23Å; V15-L18 PolarHBondContact O-N 3Å; V15-L19 PolarHBondContact O-N 3.28Å; V15-L407 HydrophobicContact CB-CD1 3.94Å; V15-L407 HydrophobicContact CG1-CD1 3.76Å; V15-L407 HydrophobicContact CG2-CD1 4.41Å; V15-L411 HydrophobicContact CG1-CD2 4.45Å
16V85.3Confident83.6Confident27 Ų2778 Ų7816%0.16438%0.378CS..Hα-helixtrans-62.8-37.6175.6173.50000111.1V12 R13 L19 R20 A410 L411 F414V12-V16 HydrophobicContact CG1-CG2 4.5Å; V12-V16 WeakPolarHBondContact O-CG2 3.36Å; V12-V16 PolarHBondContact O-N 2.95Å; R13-V16 PolarHBondContact O-N 3.27Å; V16-L19 PolarHBondContact O-N 3.36Å; V16-R20 WeakPolarHBondContact O-CB 3.27Å; V16-R20 PolarHBondContact O-N 3.05Å; V16-A410 HydrophobicContact CG2-CB 3.86Å; V16-L411 HydrophobicContact CG2-CD2 4.45Å; V16-F414 HydrophobicContact CG1-CB 3.94Å; V16-F414 HydrophobicContact CG1-CD2 4.24Å; V16-F414 HydrophobicContact CG1-CG 3.96Å
17F87.4Confident84.9Confident121 Ų12175.8 Ų75.853%0.53136%0.36SS..Hα-helixtrans-63.9-46.3175179-97.9000112.1R13 L14 V15 L19 R20 C21R13-F17 VanDerWaalsContact O-CB 3.32Å; R13-F17 WeakPolarHBondContact O-CB 3.49Å; R13-F17 PolarHBondContact O-N 3.47Å; L14-F17 WeakPolarHBondContact O-CB 3.4Å; L14-F17 PolarHBondContact O-N 3.09Å; V15-F17 VanDerWaalsContact C-N 3.28Å; V15-F17 PolarHBondContact O-N 3.23Å; F17-L19 VanDerWaalsContact C-N 3.32Å; F17-L19 PolarHBondContact O-N 3.04Å; F17-R20 WeakPolarHBondContact O-CA 3.44Å; F17-R20 WeakPolarHBondContact O-CB 3.44Å; F17-R20 PolarHBondContact O-N 2.82Å; F17-R20 VanDerWaalsContact O-N 3.09Å; F17-C21 PolarHBondContact O-N 3.27Å; F17-C21 PolarHBondContact O-SG 2.95Å
18L88.1Confident85.4Confident103 Ų10377.2 Ų77.254%0.53936%0.361SS..Hα-helixtrans-60-42.9175.2-70172.9000111.6L14 V15 R20 C21 W22L14-L18 HydrophobicContact CG-CD1 4.45Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.95Å; V15-L18 PolarHBondContact O-N 3Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.36Å; L18-C21 PolarHBondContact O-N 2.86Å; L18-W22 WeakPolarHBondContact O-CB 3.34Å; L18-W22 PolarHBondContact O-N 2.69Å
19L84.3Confident85.2Confident30 Ų3080.4 Ų80.416%0.15738%0.383CS..Hα-helixtrans-62.8-36.8175.1-173.567.4000111.6V15 V16 F17 W22 M23 L411 F414 V415V15-L19 PolarHBondContact O-N 3.28Å; V16-L19 PolarHBondContact O-N 3.36Å; F17-L19 VanDerWaalsContact C-N 3.32Å; F17-L19 PolarHBondContact O-N 3.04Å; L19-W22 HydrophobicContact CD1-CE3 3.93Å; L19-W22 PolarHBondContact O-N 3.08Å; L19-M23 VanDerWaalsContact O-CB 3.31Å; L19-M23 WeakPolarHBondContact O-CB 3.34Å; L19-M23 VanDerWaalsContact O-CG 3.32Å; L19-M23 WeakPolarHBondContact O-CG 3.32Å; L19-M23 PolarHBondContact O-N 3.05Å; L19-L411 HydrophobicContact CD2-CD2 3.53Å; L19-F414 HydrophobicContact CB-CE1 4.4Å; L19-F414 HydrophobicContact CD2-CD1 3.69Å; L19-F414 HydrophobicContact CD2-CE1 3.88Å; L19-F414 HydrophobicContact CG-CD1 4.2Å; L19-F414 HydrophobicContact CG-CE1 3.9Å; L19-V415 HydrophobicContact CD2-CG2 3.87Å
20R85.6Confident84.7Confident139 Ų13978.7 Ų78.753%0.52537%0.371SS..Hα-helixtrans-66.2-41.7175.7-175.1-178-105.1-151.5-11.7112.3V16 F17 L18 M23 S24 F414V16-R20 WeakPolarHBondContact O-CB 3.27Å; V16-R20 PolarHBondContact O-N 3.05Å; F17-R20 WeakPolarHBondContact O-CA 3.44Å; F17-R20 WeakPolarHBondContact O-CB 3.44Å; F17-R20 PolarHBondContact O-N 2.82Å; F17-R20 VanDerWaalsContact O-N 3.09Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.36Å; R20-M23 PolarHBondContact O-N 3.31Å; R20-S24 PolarHBondContact O-N 3.34Å; R20-F414 HydrophobicContact CB-CE1 4.45Å; R20-F414 HydrophobicContact CB-CE2 3.87Å; R20-F414 HydrophobicContact CB-CZ 3.67Å; R20-F414 HydrophobicContact CG-CE2 3.86Å; R20-F414 HydrophobicContact CG-CZ 3.93Å
21C86.8Confident83.9Confident63 Ų6375 Ų7543%0.42636%0.358SS..Hα-helixtrans-61.8-47.1172.7-68.90000111.1F17 L18 M23 S24 L25F17-C21 PolarHBondContact O-N 3.27Å; F17-C21 PolarHBondContact O-SG 2.95Å; L18-C21 PolarHBondContact O-N 2.86Å; C21-M23 VanDerWaalsContact C-N 3.33Å; C21-M23 PolarHBondContact O-N 3.45Å; C21-S24 PolarHBondContact O-N 3.31Å; C21-L25 PolarHBondContact O-N 2.98Å
22W85.5Confident83Confident95 Ų9576.2 Ų76.236%0.3637%0.367SS..Hα-helixtrans-60.6-41.7176.1-179.780.7000112L18 L19 L25 Y26 F431L18-W22 WeakPolarHBondContact O-CB 3.34Å; L18-W22 PolarHBondContact O-N 2.69Å; L19-W22 HydrophobicContact CD1-CE3 3.93Å; L19-W22 PolarHBondContact O-N 3.08Å; W22-L25 WeakPolarHBondContact O-CB 3.43Å; W22-L25 PolarHBondContact O-N 3.46Å; W22-Y26 HydrophobicContact CH2-CD2 4.21Å; W22-Y26 HydrophobicContact CH2-CG 4.27Å; W22-Y26 HydrophobicContact CZ2-CD2 4.45Å; W22-Y26 WeakPolarHBondContact O-CB 3.26Å; W22-Y26 PolarHBondContact O-N 3.45Å; W22-F431 AromaticContact CH2-CD1 3.27Å; W22-F431 HydrophobicContact CH2-CD1 3.27Å; W22-F431 HydrophobicContact CH2-CD2 4.29Å; W22-F431 AromaticContact CH2-CE1 3.06Å; W22-F431 HydrophobicContact CH2-CE1 3.06Å; W22-F431 HydrophobicContact CH2-CE2 4.14Å; W22-F431 AromaticContact CH2-CG 3.88Å; W22-F431 HydrophobicContact CH2-CG 3.88Å; W22-F431 AromaticContact CH2-CZ 3.54Å; W22-F431 HydrophobicContact CH2-CZ 3.54Å; W22-F431 HydrophobicContact CZ2-CD1 4.3Å; W22-F431 AromaticContact CZ2-CE1 3.86Å; W22-F431 HydrophobicContact CZ2-CE1 3.86Å; W22-F431 HydrophobicContact CZ2-CE2 4.3Å; W22-F431 AromaticContact CZ2-CZ 3.85Å; W22-F431 HydrophobicContact CZ2-CZ 3.85Å; W22-F431 AromaticContact CZ3-CD1 3.8Å; W22-F431 HydrophobicContact CZ3-CD1 3.8Å; W22-F431 AromaticContact CZ3-CE1 3.56Å; W22-F431 HydrophobicContact CZ3-CE1 3.56Å; W22-F431 HydrophobicContact CZ3-CZ 4.36Å
23M80.8Confident82.3Confident2 Ų279 Ų791%0.0139%0.385CS..Hα-helixtrans-65.7-36.6175.9-82.2-61.8-72.900112.8L19 R20 C21 L25 Y26 N27 F414 E418 L432L19-M23 VanDerWaalsContact O-CB 3.31Å; L19-M23 WeakPolarHBondContact O-CB 3.34Å; L19-M23 VanDerWaalsContact O-CG 3.32Å; L19-M23 WeakPolarHBondContact O-CG 3.32Å; L19-M23 PolarHBondContact O-N 3.05Å; R20-M23 PolarHBondContact O-N 3.31Å; C21-M23 VanDerWaalsContact C-N 3.33Å; C21-M23 PolarHBondContact O-N 3.45Å; M23-L25 VanDerWaalsContact C-N 3.34Å; M23-Y26 PolarHBondContact O-N 3.05Å; M23-Y26 HydrophobicContact SD-CD1 4.34Å; M23-N27 VanDerWaalsContact O-CB 3.23Å; M23-N27 WeakPolarHBondContact O-CB 3.48Å; M23-N27 PolarHBondContact O-N 2.92Å; M23-N27 PolarHBondContact O-ND2 2.93Å; M23-F414 HydrophobicContact CB-CZ 4.44Å; M23-F414 HydrophobicContact CG-CE1 4.12Å; M23-F414 HydrophobicContact CG-CZ 4.4Å; M23-E418 HydrophobicContact CE-CG 3.55Å; M23-L432 HydrophobicContact CE-CD1 3.49Å; M23-L432 VanDerWaalsContact CE-CD1 3.49Å; M23-L432 HydrophobicContact CE-CD2 3.93Å; M23-L432 HydrophobicContact CE-CG 3.98Å; M23-L432 HydrophobicContact SD-CD1 4.4Å; M23-L432 HydrophobicContact SD-CD2 3.7Å; M23-L432 HydrophobicContact SD-CG 4.28Å
24S83Confident81.6Confident76 Ų7673.8 Ų73.853%0.53137%0.365SS..Hα-helixtrans-62.1-44.3171.7-79.30000111.4R20 C21 N27 F28R20-S24 PolarHBondContact O-N 3.34Å; C21-S24 PolarHBondContact O-N 3.31Å; S24-N27 PolarHBondContact O-N 3.45Å; S24-F28 WeakPolarHBondContact O-CB 3.42Å; S24-F28 PolarHBondContact O-N 3.16Å
25L84.1Confident80.5Confident107 Ų10773.3 Ų73.356%0.5636%0.363SS*.Hα-helixtrans-64-46.4176-175.766.4000111.5C21 W22 M23 N27 F28 V29C21-L25 PolarHBondContact O-N 2.98Å; W22-L25 WeakPolarHBondContact O-CB 3.43Å; W22-L25 PolarHBondContact O-N 3.46Å; M23-L25 VanDerWaalsContact C-N 3.34Å; L25-N27 VanDerWaalsContact C-N 3.35Å; L25-N27 PolarHBondContact O-N 3.12Å; L25-F28 WeakPolarHBondContact O-CB 3.45Å; L25-F28 PolarHBondContact O-N 3.47Å; L25-V29 HydrophobicContact CD1-CG2 4.38Å; L25-V29 HydrophobicContact CG-CG2 4.46Å; L25-V29 WeakPolarHBondContact O-CG2 3.43Å; L25-V29 PolarHBondContact O-N 3.46Å
26Y81.5Confident79.5Confident45 Ų4577.3 Ų77.318%0.17638%0.381CS..Hα-helixtrans-58.7-46.3175.6170.7-92.5000111.1W22 M23 F28 V29 S30 F431W22-Y26 HydrophobicContact CH2-CD2 4.21Å; W22-Y26 HydrophobicContact CH2-CG 4.27Å; W22-Y26 HydrophobicContact CZ2-CD2 4.45Å; W22-Y26 WeakPolarHBondContact O-CB 3.26Å; W22-Y26 PolarHBondContact O-N 3.45Å; M23-Y26 PolarHBondContact O-N 3.05Å; M23-Y26 HydrophobicContact SD-CD1 4.34Å; Y26-F28 VanDerWaalsContact C-N 3.29Å; Y26-F28 PolarHBondContact O-N 3.36Å; Y26-V29 PolarHBondContact O-N 3.16Å; Y26-S30 WeakPolarHBondContact O-CA 3.49Å; Y26-S30 WeakPolarHBondContact O-CB 3.48Å; Y26-S30 PolarHBondContact O-N 3.48Å; Y26-S30 PolarHBondContact O-OG 2.94Å; Y26-F431 HydrophobicContact CE2-CB 4.14Å
27N78.9Confident78.8Confident21 Ų2182.8 Ų82.811%0.11241%0.409CS..Hα-helixtrans-61.8-39177.7-76.9-26.4000111.3M23 S24 L25 S30 Y31 E418 R422M23-N27 VanDerWaalsContact O-CB 3.23Å; M23-N27 WeakPolarHBondContact O-CB 3.48Å; M23-N27 PolarHBondContact O-N 2.92Å; M23-N27 PolarHBondContact O-ND2 2.93Å; S24-N27 PolarHBondContact O-N 3.45Å; L25-N27 VanDerWaalsContact C-N 3.35Å; L25-N27 PolarHBondContact O-N 3.12Å; N27-S30 WeakPolarHBondContact CA-OG 3.37Å; N27-S30 PolarHBondContact O-OG 3.01Å; N27-Y31 WeakPolarHBondContact O-CB 3.24Å; N27-Y31 PolarHBondContact O-N 2.76Å; N27-E418 PolarHBondContact ND2-OE1 3.49Å; N27-R422 PolarHBondContact OD1-NE 3.14Å
28F81.4Confident77.9Confident154 Ų15480.1 Ų80.168%0.67540%0.399SS*.Hα-helixtrans-64.8-48.2175.3-177.4-98.3000112.1S24 L25 Y26 Y31S24-F28 WeakPolarHBondContact O-CB 3.42Å; S24-F28 PolarHBondContact O-N 3.16Å; L25-F28 WeakPolarHBondContact O-CB 3.45Å; L25-F28 PolarHBondContact O-N 3.47Å; Y26-F28 VanDerWaalsContact C-N 3.29Å; Y26-F28 PolarHBondContact O-N 3.36Å; F28-Y31 WeakPolarHBondContact O-CB 3.45Å; F28-Y31 PolarHBondContact O-N 2.96Å
29V78.8Confident77.5Confident96 Ų9679.5 Ų79.558%0.58240%0.397SS*.Hα-helixtrans-68.4-41.3180174.30000111.6L25 Y26 Y31 P33L25-V29 HydrophobicContact CD1-CG2 4.38Å; L25-V29 HydrophobicContact CG-CG2 4.46Å; L25-V29 WeakPolarHBondContact O-CG2 3.43Å; L25-V29 PolarHBondContact O-N 3.46Å; Y26-V29 PolarHBondContact O-N 3.16Å; V29-Y31 VanDerWaalsContact C-N 3.29Å; V29-Y31 PolarHBondContact O-N 2.7Å; V29-P33 VanDerWaalsContact O-CD 3.26Å; V29-P33 WeakPolarHBondContact O-CD 3.47Å
30S75.3Confident77.3Confident9 Ų978.3 Ų78.36%0.06339%0.39CS..Hα-helixtrans-76.9-14179.764.70000113.1Y26 N27 F32 P33 F34Y26-S30 WeakPolarHBondContact O-CA 3.49Å; Y26-S30 WeakPolarHBondContact O-CB 3.48Å; Y26-S30 PolarHBondContact O-N 3.48Å; Y26-S30 PolarHBondContact O-OG 2.94Å; N27-S30 WeakPolarHBondContact CA-OG 3.37Å; N27-S30 PolarHBondContact O-OG 3.01Å; S30-F32 PolarHBondContact O-N 3.41Å; S30-P33 WeakPolarHBondContact O-CD 3.44Å; S30-F34 WeakPolarHBondContact O-CB 3.38Å; S30-F34 WeakPolarHBondContact O-CD2 3.45Å; S30-F34 PolarHBondContact O-N 3.16Å
31Y73.6Confident77.2Confident109 Ų10975 Ų7543%0.42739%0.393SS..Hα-helixtrans-52.5-52.1-179.9-178-105.9000112.5N27 F28 V29 F34 L35N27-Y31 WeakPolarHBondContact O-CB 3.24Å; N27-Y31 PolarHBondContact O-N 2.76Å; F28-Y31 WeakPolarHBondContact O-CB 3.45Å; F28-Y31 PolarHBondContact O-N 2.96Å; V29-Y31 VanDerWaalsContact C-N 3.29Å; V29-Y31 PolarHBondContact O-N 2.7Å; Y31-F34 PolarHBondContact O-N 3Å; Y31-L35 HydrophobicContact CD1-CD1 3.78Å; Y31-L35 HydrophobicContact CD2-CD1 4.21Å; Y31-L35 HydrophobicContact CE1-CD1 3.21Å; Y31-L35 HydrophobicContact CE2-CD1 3.7Å; Y31-L35 HydrophobicContact CG-CD1 4.24Å; Y31-L35 WeakPolarHBondContact O-CB 3.25Å; Y31-L35 PolarHBondContact O-N 2.79Å; Y31-L35 WeakPolarHBondContact OH-CD1 3.36Å
32F71.1Confident77.1Confident137 Ų13772.4 Ų72.460%0.60138%0.376SS*.Hα-helixtrans-65.5-51.3-178.3-77.5-79.9000113.6S30 F34 L35 I36S30-F32 PolarHBondContact O-N 3.41Å; F32-F34 VanDerWaalsContact C-N 3.27Å; F32-F34 PolarHBondContact O-N 3.08Å; F32-L35 PolarHBondContact O-N 3.36Å; F32-I36 WeakPolarHBondContact O-CG1 3.48Å; F32-I36 PolarHBondContact O-N 2.95Å
33P72.8Confident77.1Confident58 Ų5869.8 Ų69.838%0.37737%0.367SS..Hα-helixtrans-56-40.5174.9-25.430.8000113.1V29 S30 I36 L37V29-P33 VanDerWaalsContact O-CD 3.26Å; V29-P33 WeakPolarHBondContact O-CD 3.47Å; S30-P33 WeakPolarHBondContact O-CD 3.44Å; P33-I36 PolarHBondContact O-N 2.98Å; P33-L37 HydrophobicContact CB-CD1 4.46Å; P33-L37 WeakPolarHBondContact O-CB 3.32Å; P33-L37 VanDerWaalsContact O-CG 3.29Å; P33-L37 WeakPolarHBondContact O-CG 3.37Å; P33-L37 PolarHBondContact O-N 3.38Å
34F70.7Confident77.5Confident16 Ų1671.3 Ų71.37%0.0738%0.376CS..Hα-helixtrans-71.3-37.4-178.5-84.1-106.7000112.4S30 Y31 F32 I36 I38 N39 P40 Y427 S428 P430S30-F34 WeakPolarHBondContact O-CB 3.38Å; S30-F34 WeakPolarHBondContact O-CD2 3.45Å; S30-F34 PolarHBondContact O-N 3.16Å; Y31-F34 PolarHBondContact O-N 3Å; F32-F34 VanDerWaalsContact C-N 3.27Å; F32-F34 PolarHBondContact O-N 3.08Å; F34-I36 VanDerWaalsContact C-N 3.28Å; F34-I36 PolarHBondContact O-N 3.25Å; F34-I38 HydrophobicContact CD1-CB 4.3Å; F34-I38 HydrophobicContact CD1-CD1 3.25Å; F34-I38 HydrophobicContact CD1-CG1 4.32Å; F34-I38 HydrophobicContact CD1-CG2 4.5Å; F34-I38 HydrophobicContact CE1-CD1 3.25Å; F34-I38 HydrophobicContact CG-CD1 3.95Å; F34-I38 HydrophobicContact CZ-CD1 3.96Å; F34-I38 WeakPolarHBondContact O-CA 3.46Å; F34-I38 WeakPolarHBondContact O-CB 3.15Å; F34-I38 PolarHBondContact O-N 2.89Å; F34-N39 PolarHBondContact O-N 2.83Å; F34-P40 WeakPolarHBondContact O-CD 3.4Å; F34-Y427 HydrophobicContact CB-CD1 3.91Å; F34-Y427 HydrophobicContact CB-CE1 3.96Å; F34-Y427 AromaticContact CD1-CD1 3.92Å; F34-Y427 HydrophobicContact CD1-CD1 3.92Å; F34-Y427 HydrophobicContact CG-CD1 4.19Å; F34-S428 WeakPolarHBondContact CE1-O 3.38Å; F34-S428 WeakPolarHBondContact CE1-OG 3.27Å; F34-P430 HydrophobicContact CZ-CG 3.83Å
35L67Low77.8Confident77 Ų7774.2 Ų74.240%0.40338%0.381SS..Hα-helixtrans-58.7-42.3174.1-115.3147.6000111.8Y31 F32Y31-L35 HydrophobicContact CD1-CD1 3.78Å; Y31-L35 HydrophobicContact CD2-CD1 4.21Å; Y31-L35 HydrophobicContact CE1-CD1 3.21Å; Y31-L35 HydrophobicContact CE2-CD1 3.7Å; Y31-L35 HydrophobicContact CG-CD1 4.24Å; Y31-L35 WeakPolarHBondContact O-CB 3.25Å; Y31-L35 PolarHBondContact O-N 2.79Å; Y31-L35 WeakPolarHBondContact OH-CD1 3.36Å; F32-L35 PolarHBondContact O-N 3.36Å
36I68.4Low78Confident139 Ų13972 Ų7271%0.71337%0.37SS*.Hα-helixtrans-78.8-44.9-177.6-62.2169.4000111.6F32 P33 F34F32-I36 WeakPolarHBondContact O-CG1 3.48Å; F32-I36 PolarHBondContact O-N 2.95Å; P33-I36 PolarHBondContact O-N 2.98Å; F34-I36 VanDerWaalsContact C-N 3.28Å; F34-I36 PolarHBondContact O-N 3.25Å
37L70.3Confident78.4Confident142 Ų14270.3 Ų70.374%0.74336%0.364SS*.Hα-helixtrans-92.3-29.1-168.3-63171.8000114.2P33P33-L37 HydrophobicContact CB-CD1 4.46Å; P33-L37 WeakPolarHBondContact O-CB 3.32Å; P33-L37 VanDerWaalsContact O-CG 3.29Å; P33-L37 WeakPolarHBondContact O-CG 3.37Å; P33-L37 PolarHBondContact O-N 3.38Å
38I68Low79Confident65 Ų6576 Ų7633%0.33339%0.391SS..THydrogen-bonded Turntrans-116.3-17.8-168.3-67.9163.9000112.1F34F34-I38 HydrophobicContact CD1-CB 4.3Å; F34-I38 HydrophobicContact CD1-CD1 3.25Å; F34-I38 HydrophobicContact CD1-CG1 4.32Å; F34-I38 HydrophobicContact CD1-CG2 4.5Å; F34-I38 HydrophobicContact CE1-CD1 3.25Å; F34-I38 HydrophobicContact CG-CD1 3.95Å; F34-I38 HydrophobicContact CZ-CD1 3.96Å; F34-I38 WeakPolarHBondContact O-CA 3.46Å; F34-I38 WeakPolarHBondContact O-CB 3.15Å; F34-I38 PolarHBondContact O-N 2.89Å
39N78.7Confident79.6Confident90 Ų9073.6 Ų73.648%0.48138%0.377SS..  trans4070.1-175.8-173.26.7000113F34 A41 G42 R43F34-N39 PolarHBondContact O-N 2.83Å; N39-A41 VanDerWaalsContact C-N 3.28Å; N39-A41 PolarHBondContact O-N 2.93Å; N39-G42 WeakPolarHBondContact O-CA 3.36Å; N39-G42 PolarHBondContact O-N 3.29Å; N39-G42 PolarHBondContact OD1-N 3.36Å; N39-R43 PolarHBondContact O-N 3.49Å
40P81.6Confident80.3Confident4 Ų471.7 Ų71.73%0.02637%0.365CS..Hα-helixtrans-56.7-40.8-176.1-21.931.6000112.8F34 G42 R43 V44 Y427F34-P40 WeakPolarHBondContact O-CD 3.4Å; P40-G42 VanDerWaalsContact C-N 3.35Å; P40-G42 PolarHBondContact O-N 3.01Å; P40-R43 WeakPolarHBondContact O-CB 3.09Å; P40-R43 PolarHBondContact O-N 2.78Å; P40-R43 VanDerWaalsContact O-N 3.13Å; P40-V44 PolarHBondContact O-N 3.44Å; P40-Y427 HydrophobicContact CB-CD1 4.13Å; P40-Y427 HydrophobicContact CB-CD2 3.8Å; P40-Y427 HydrophobicContact CB-CE1 4.07Å; P40-Y427 HydrophobicContact CB-CE2 3.71Å; P40-Y427 HydrophobicContact CB-CG 4.01Å; P40-Y427 HydrophobicContact CG-CD1 3.55Å; P40-Y427 HydrophobicContact CG-CD2 4.14Å; P40-Y427 HydrophobicContact CG-CE1 3.37Å; P40-Y427 HydrophobicContact CG-CE2 3.97Å; P40-Y427 HydrophobicContact CG-CG 3.94Å
41A83.8Confident81.3Confident70 Ų7071.7 Ų71.758%0.57936%0.364SS*.Hα-helixtrans-62-42.617700000111.5N39 R43 V44 Q45N39-A41 VanDerWaalsContact C-N 3.28Å; N39-A41 PolarHBondContact O-N 2.93Å; A41-R43 VanDerWaalsContact C-N 3.3Å; A41-R43 PolarHBondContact O-N 2.92Å; A41-V44 PolarHBondContact O-N 3.05Å; A41-Q45 WeakPolarHBondContact O-CB 3.4Å; A41-Q45 PolarHBondContact O-N 3.11Å
42G84.8Confident82.3Confident8 Ų866.6 Ų66.68%0.08235%0.345CS..Hα-helixtrans-61.4-36.8173.400000112.8N39 P40 Q45 N46N39-G42 WeakPolarHBondContact O-CA 3.36Å; N39-G42 PolarHBondContact O-N 3.29Å; N39-G42 PolarHBondContact OD1-N 3.36Å; P40-G42 VanDerWaalsContact C-N 3.35Å; P40-G42 PolarHBondContact O-N 3.01Å; G42-Q45 PolarHBondContact O-N 3.39Å; G42-N46 VanDerWaalsContact O-CB 3.26Å; G42-N46 WeakPolarHBondContact O-CB 3.28Å; G42-N46 PolarHBondContact O-N 3.34Å; G42-N46 PolarHBondContact O-ND2 2.8Å
43R84.9Confident83.5Confident41 Ų4165.3 Ų65.316%0.15534%0.336CS..Hα-helixtrans-65.7-44.4174.9-168.8-179.6-178.1-175.10.3112.2N39 P40 A41 N46 S47 G426N39-R43 PolarHBondContact O-N 3.49Å; P40-R43 WeakPolarHBondContact O-CB 3.09Å; P40-R43 PolarHBondContact O-N 2.78Å; P40-R43 VanDerWaalsContact O-N 3.13Å; A41-R43 VanDerWaalsContact C-N 3.3Å; A41-R43 PolarHBondContact O-N 2.92Å; R43-N46 PolarHBondContact O-N 2.88Å; R43-S47 PolarHBondContact O-N 2.91Å; R43-G426 WeakPolarHBondContact CD-O 3.29Å
44V88.6Confident84.5Confident33 Ų3363.8 Ų63.820%0.233%0.326CS..Hα-helixtrans-63.6-45.4175.6176.40000110.7P40 A41 N46 S47 Q48 L495P40-V44 PolarHBondContact O-N 3.44Å; A41-V44 PolarHBondContact O-N 3.05Å; V44-N46 VanDerWaalsContact C-N 3.33Å; V44-N46 PolarHBondContact O-N 3.5Å; V44-S47 WeakPolarHBondContact O-CB 3.1Å; V44-S47 PolarHBondContact O-N 3.42Å; V44-S47 VanDerWaalsContact O-N 3.17Å; V44-Q48 HydrophobicContact CG1-CG 4.48Å; V44-Q48 WeakPolarHBondContact O-CG 3.11Å; V44-Q48 PolarHBondContact O-N 3.26Å; V44-L495 HydrophobicContact CG2-CD1 4.24Å
45Q89.7Confident85.7Confident137 Ų13766 Ų6664%0.6434%0.338SS*.Hα-helixtrans-60.2-43.7177.2-173.3179.725.900111.5A41 G42 Q48 R49A41-Q45 WeakPolarHBondContact O-CB 3.4Å; A41-Q45 PolarHBondContact O-N 3.11Å; G42-Q45 PolarHBondContact O-N 3.39Å; Q45-Q48 CarbonylContact O-C 3.54Å; Q45-Q48 PolarHBondContact O-N 3.48Å; Q45-R49 PolarHBondContact O-N 2.83Å
46N87.6Confident86.9Confident61 Ų6169 Ų6933%0.32635%0.348SS..Hα-helixtrans-59.8-49.3173.5-77.6-11.4000110.5G42 R43 V44 Q48 R49G42-N46 VanDerWaalsContact O-CB 3.26Å; G42-N46 WeakPolarHBondContact O-CB 3.28Å; G42-N46 PolarHBondContact O-N 3.34Å; G42-N46 PolarHBondContact O-ND2 2.8Å; R43-N46 PolarHBondContact O-N 2.88Å; V44-N46 VanDerWaalsContact C-N 3.33Å; V44-N46 PolarHBondContact O-N 3.5Å; N46-Q48 PolarHBondContact O-N 3.24Å; N46-R49 WeakPolarHBondContact O-CB 3.39Å; N46-R49 WeakPolarHBondContact O-CG 3.37Å; N46-R49 PolarHBondContact O-N 3.44Å; N46-R49 VanDerWaalsContact O-N 3.16Å; N46-R49 PolarHBondContact O-NH1 3.46Å
47S89.9Confident87.7Confident9 Ų968.9 Ų68.96%0.06334%0.344CS..Hα-helixtrans-56.3-34.8177.4-179.20000113.4R43 V44 K51 D493 L495R43-S47 PolarHBondContact O-N 2.91Å; V44-S47 WeakPolarHBondContact O-CB 3.1Å; V44-S47 PolarHBondContact O-N 3.42Å; V44-S47 VanDerWaalsContact O-N 3.17Å; S47-K51 VanDerWaalsContact O-CE 3.3Å; S47-K51 WeakPolarHBondContact O-CE 3.34Å; S47-K51 PolarHBondContact O-NZ 3.36Å; S47-D493 VanDerWaalsContact CB-O 3.32Å; S47-D493 WeakPolarHBondContact CB-O 3.3Å; S47-L495 PolarHBondContact OG-N 3.24Å
48Q91.4Very high88.3Confident142 Ų14270.1 Ų70.166%0.66435%0.352SS*.Hα-helixtrans-93.1-4.6-177-67.9178.2-1000113.9V44 Q45 N46V44-Q48 HydrophobicContact CG1-CG 4.48Å; V44-Q48 WeakPolarHBondContact O-CG 3.11Å; V44-Q48 PolarHBondContact O-N 3.26Å; Q45-Q48 CarbonylContact O-C 3.54Å; Q45-Q48 PolarHBondContact O-N 3.48Å; N46-Q48 PolarHBondContact O-N 3.24Å
49R94Very high89.3Confident102 Ų10269.3 Ų69.339%0.38535%0.348SS..SBendtrans-58.7151.3179.782-175.2169-93.29.1110.5Q45 N46 K51 D493Q45-R49 PolarHBondContact O-N 2.83Å; N46-R49 WeakPolarHBondContact O-CB 3.39Å; N46-R49 WeakPolarHBondContact O-CG 3.37Å; N46-R49 PolarHBondContact O-N 3.44Å; N46-R49 VanDerWaalsContact O-N 3.16Å; N46-R49 PolarHBondContact O-NH1 3.46Å; R49-K51 HydrophobicContact CG-CG 4.15Å; R49-K51 VanDerWaalsContact O-CG 3.23Å; R49-K51 WeakPolarHBondContact O-CG 3.45Å; R49-K51 PolarHBondContact O-N 2.88Å; R49-D493 IonicContact CZ-OD2 3.91Å; R49-D493 VanDerWaalsContact CZ-OD2 3.24Å; R49-D493 IonicContact NH1-OD1 3.5Å; R49-D493 IonicContact NH1-OD2 3.05Å; R49-D493 PolarHBondContact NH1-OD2 3.09Å; R49-D493 IonicContact NH2-OD1 2.7Å; R49-D493 IonicContact NH2-OD2 3.77Å; R49-D493 PolarHBondContact NH2-OD2 2.94Å
50V94.8Very high89.3Confident56 Ų5668.2 Ų68.234%0.33935%0.346SS..  trans-66.3117.1168.2-177.30000108.7A52 R53 T67V50-A52 VanDerWaalsContact CG1-O 3.24Å; V50-A52 WeakPolarHBondContact CG1-O 3.44Å; V50-R53 HydrophobicContact CG1-CG 3.5Å; V50-R53 VanDerWaalsContact CG1-CG 3.5Å; V50-T67 HydrophobicContact CG1-CG2 4.39Å
51K94.6Very high89.6Confident10 Ų1071.7 Ų71.74%0.04337%0.367CS..  trans-97.6-31.5-175.5-47.7-174.8-177.5105.80111.6S47 R49 T67 D494 P502 D573S47-K51 VanDerWaalsContact O-CE 3.3Å; S47-K51 WeakPolarHBondContact O-CE 3.34Å; S47-K51 PolarHBondContact O-NZ 3.36Å; R49-K51 HydrophobicContact CG-CG 4.15Å; R49-K51 VanDerWaalsContact O-CG 3.23Å; R49-K51 WeakPolarHBondContact O-CG 3.45Å; R49-K51 PolarHBondContact O-N 2.88Å; K51-T67 WeakPolarHBondContact O-CB 3.29Å; K51-T67 WeakPolarHBondContact O-CG2 3.44Å; K51-T67 PolarHBondContact O-N 3.46Å; K51-T67 PolarHBondContact O-OG1 3.42Å; K51-D494 WeakPolarHBondContact CE-OD2 3.28Å; K51-D494 IonicContact NZ-OD1 3.15Å; K51-D494 IonicContact NZ-OD2 2.68Å; K51-D494 PolarHBondContact NZ-OD2 3.05Å; K51-P502 HydrophobicContact CB-CB 3.81Å; K51-P502 HydrophobicContact CB-CG 3.81Å; K51-P502 HydrophobicContact CD-CG 4.37Å; K51-D573 PolarHBondContact N-O 2.9Å; K51-D573 IonicContact NZ-OD2 3.2Å; K51-D573 PolarHBondContact NZ-OD2 2.76Å
52A95.7Very high90Very high2 Ų268.6 Ų68.62%0.01734%0.341CS..EExtended strand (participates in β ladder)trans-142.9157.5174.400000111.3V50 R65 P502 P503 D573 G574V50-A52 VanDerWaalsContact CG1-O 3.24Å; V50-A52 WeakPolarHBondContact CG1-O 3.44Å; A52-R65 CarbonylContact C-O 3.37Å; A52-R65 WeakPolarHBondContact CA-O 3.27Å; A52-R65 WeakPolarHBondContact CB-O 3.31Å; A52-P502 HydrophobicContact CB-CB 3.87Å; A52-P503 HydrophobicContact CB-CG 4.33Å; A52-D573 PolarHBondContact N-O 3.44Å; A52-G574 WeakPolarHBondContact O-CA 3.4Å
53R95.4Very high90.6Very high110 Ų11069.3 Ų69.342%0.41535%0.345SS..EExtended strand (participates in β ladder)trans-141.9154.2179.8-65.6-174.4-171.6-174.41.6110.5V50 E57 Y64 R65 T67 F70V50-R53 HydrophobicContact CG1-CG 3.5Å; V50-R53 VanDerWaalsContact CG1-CG 3.5Å; R53-E57 IonicContact NH1-OE1 2.56Å; R53-Y64 WeakPolarHBondContact O-CA 3.37Å; R53-R65 PolarHBondContact N-O 3.37Å; R53-R65 PolarHBondContact O-N 3.22Å; R53-T67 HydrophobicContact CG-CG2 4.22Å; R53-F70 HydrophobicContact CB-CE2 3.98Å
54P95.6Very high91.1Very high26 Ų2669.1 Ų69.117%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-62.5144.1168.228.9-34.9000110.5K56 P63 Y64P54-K56 VanDerWaalsContact C-N 3.26Å; P54-K56 PolarHBondContact O-N 2.92Å; P54-P63 CarbonylContact C-O 3.52Å; P54-P63 VanDerWaalsContact CA-O 3.29Å; P54-P63 WeakPolarHBondContact CA-O 3.37Å; P54-Y64 HydrophobicContact CB-CD2 4.49Å; P54-Y64 HydrophobicContact CB-CE2 4.29Å
55L94.8Very high91.5Very high62 Ų6269 Ų6933%0.32534%0.34SS..SBendtrans-62.2-32.5175.6-68.2177.5000113.1S62 P63 R65 F70L55-S62 PolarHBondContact N-OG 3.22Å; L55-S62 VanDerWaalsContact N-OG 3.09Å; L55-P63 HydrophobicContact CD1-CB 4.16Å; L55-P63 HydrophobicContact CD1-CG 4.42Å; L55-P63 PolarHBondContact N-O 2.77Å; L55-R65 HydrophobicContact CD2-CB 3.87Å; L55-R65 HydrophobicContact CG-CB 4.48Å; L55-F70 HydrophobicContact CD2-CE2 4.12Å; L55-F70 HydrophobicContact CD2-CZ 4.31Å
56K93.2Very high91.8Very high141 Ų14162.8 Ų62.861%0.61331%0.312SS*.SBendtrans-114.4114169.1-64.1178.1-175.2173.60108.4P54 D59 S62P54-K56 VanDerWaalsContact C-N 3.26Å; P54-K56 PolarHBondContact O-N 2.92Å; K56-D59 HydrophobicContact CB-CB 3.98Å; K56-D59 PolarHBondContact O-N 2.8Å; K56-S62 PolarHBondContact N-OG 3.1Å
57E83.5Confident92.1Very high136 Ų13662.7 Ų62.764%0.63631%0.313SS*.THydrogen-bonded Turntrans-60.1141.5171.3-65.6-175.6163.900108.8R53 D59R53-E57 IonicContact NH1-OE1 2.56Å; E57-D59 VanDerWaalsContact C-N 3.31Å; E57-D59 PolarHBondContact O-N 2.89Å
58D83.4Confident92Very high168 Ų16866.7 Ų66.790%0.89834%0.341SS*.THydrogen-bonded Turntrans72-0.1-175.7-50.3-43.4000118.2P60D58-P60 WeakPolarHBondContact O-CD 3.35Å
59D88.4Confident92Very high48 Ų4860.5 Ų60.526%0.25731%0.314SS..  trans-101.5104.6172-178.9-2.8000110.5K56 E57 T61 S62K56-D59 HydrophobicContact CB-CB 3.98Å; K56-D59 PolarHBondContact O-N 2.8Å; E57-D59 VanDerWaalsContact C-N 3.31Å; E57-D59 PolarHBondContact O-N 2.89Å; D59-T61 PolarHBondContact O-N 3.23Å; D59-T61 WeakPolarHBondContact OD1-CA 3.3Å; D59-T61 WeakPolarHBondContact OD1-CB 3.49Å; D59-T61 PolarHBondContact OD1-N 2.94Å; D59-T61 PolarHBondContact OD1-OG1 3.45Å; D59-T61 PolarHBondContact OD2-OG1 3.4Å; D59-S62 WeakPolarHBondContact O-CB 3.31Å; D59-S62 PolarHBondContact O-N 3.29Å; D59-S62 PolarHBondContact OD1-N 3.15Å
60P78.7Confident91.9Very high66 Ų6659.2 Ų59.243%0.42931%0.311SS..THydrogen-bonded Turntrans-70.4-12.9-177.932.7-37.4000112.9D58 V521D58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-V521 HydrophobicContact CB-CB 3.99Å; P60-V521 HydrophobicContact CB-CG2 4Å; P60-V521 HydrophobicContact CG-CG2 4.01Å
61T88.1Confident91.8Very high78 Ų7866.5 Ų66.548%0.47934%0.338SS..THydrogen-bonded Turntrans-89.3-10172.473.90000112.5D59 V521D59-T61 PolarHBondContact O-N 3.23Å; D59-T61 WeakPolarHBondContact OD1-CA 3.3Å; D59-T61 WeakPolarHBondContact OD1-CB 3.49Å; D59-T61 PolarHBondContact OD1-N 2.94Å; D59-T61 PolarHBondContact OD1-OG1 3.45Å; D59-T61 PolarHBondContact OD2-OG1 3.4Å; T61-V521 HydrophobicContact CG2-CG2 4.21Å
62S93.8Very high91.7Very high5 Ų573.6 Ų73.64%0.03537%0.372CS..SBendtrans-64.9137.8179.8175.90000110.8L55 K56 D59 Y64L55-S62 PolarHBondContact N-OG 3.22Å; L55-S62 VanDerWaalsContact N-OG 3.09Å; K56-S62 PolarHBondContact N-OG 3.1Å; D59-S62 WeakPolarHBondContact O-CB 3.31Å; D59-S62 PolarHBondContact O-N 3.29Å; D59-S62 PolarHBondContact OD1-N 3.15Å; S62-Y64 PolarHBondContact O-N 2.93Å
63P95.8Very high91.6Very high23 Ų2375.2 Ų75.215%0.14938%0.38CS..PPolyproline II helixtrans-58.1139.6171.6-24.333.7000112.9P54 L55 D508 I509 M510 W561P54-P63 CarbonylContact C-O 3.52Å; P54-P63 VanDerWaalsContact CA-O 3.29Å; P54-P63 WeakPolarHBondContact CA-O 3.37Å; L55-P63 HydrophobicContact CD1-CB 4.16Å; L55-P63 HydrophobicContact CD1-CG 4.42Å; L55-P63 PolarHBondContact N-O 2.77Å; P63-D508 HydrophobicContact CB-CB 3.89Å; P63-I509 CarbonylContact C-O 3.5Å; P63-I509 WeakPolarHBondContact CA-O 3.3Å; P63-M510 HydrophobicContact CB-CB 4.29Å; P63-M510 HydrophobicContact CG-CB 4.21Å; P63-M510 HydrophobicContact CG-SD 4.36Å; P63-W561 HydrophobicContact CB-CH2 3.7Å; P63-W561 HydrophobicContact CB-CZ2 4.34Å; P63-W561 HydrophobicContact CG-CH2 3.52Å; P63-W561 HydrophobicContact CG-CZ2 3.68Å
64Y97.1Very high91.3Very high36 Ų3671.5 Ų71.514%0.14137%0.37CS..EExtended strand (participates in β ladder)trans-84.1134.3168.4-79-112.2000110R53 P54 S62 D508 I509 F570R53-Y64 WeakPolarHBondContact O-CA 3.37Å; P54-Y64 HydrophobicContact CB-CD2 4.49Å; P54-Y64 HydrophobicContact CB-CE2 4.29Å; S62-Y64 PolarHBondContact O-N 2.93Å; Y64-D508 WeakPolarHBondContact O-CA 3.31Å; Y64-I509 PolarHBondContact N-O 3.33Å; Y64-I509 PolarHBondContact O-N 3Å; Y64-F570 AromaticContact CD1-CD1 3.89Å; Y64-F570 HydrophobicContact CD1-CD1 3.89Å; Y64-F570 HydrophobicContact CD1-CD2 4.39Å; Y64-F570 HydrophobicContact CD1-CE1 4.01Å; Y64-F570 HydrophobicContact CD1-CG 4.1Å; Y64-F570 HydrophobicContact CD1-CZ 4.32Å; Y64-F570 AromaticContact CD2-CD2 3.65Å; Y64-F570 HydrophobicContact CD2-CD2 3.65Å; Y64-F570 HydrophobicContact CD2-CE1 4.46Å; Y64-F570 AromaticContact CD2-CE2 3.56Å; Y64-F570 HydrophobicContact CD2-CE2 3.56Å; Y64-F570 HydrophobicContact CD2-CG 4.17Å; Y64-F570 AromaticContact CD2-CZ 4Å; Y64-F570 HydrophobicContact CD2-CZ 4Å; Y64-F570 HydrophobicContact CE1-CB 4.16Å; Y64-F570 HydrophobicContact CE1-CD1 4.14Å; Y64-F570 HydrophobicContact CE1-CD2 4.43Å; Y64-F570 HydrophobicContact CE1-CG 4.01Å; Y64-F570 HydrophobicContact CE2-CB 4.45Å; Y64-F570 AromaticContact CE2-CD2 3.7Å; Y64-F570 HydrophobicContact CE2-CD2 3.7Å; Y64-F570 HydrophobicContact CE2-CE2 4.11Å; Y64-F570 HydrophobicContact CE2-CG 4.1Å; Y64-F570 HydrophobicContact CG-CD1 4.1Å; Y64-F570 HydrophobicContact CG-CD2 4.02Å; Y64-F570 AromaticContact CG-CE1 3.88Å; Y64-F570 HydrophobicContact CG-CE1 3.88Å; Y64-F570 AromaticContact CG-CE2 3.8Å; Y64-F570 HydrophobicContact CG-CE2 3.8Å; Y64-F570 HydrophobicContact CG-CG 4.18Å; Y64-F570 AromaticContact CG-CZ 3.73Å; Y64-F570 HydrophobicContact CG-CZ 3.73Å
65R96.7Very high90.7Very high30 Ų3072.9 Ų72.911%0.11338%0.379CS..EExtended strand (participates in β ladder)trans-126.8145.4175.6-172.2172.4-75.8173.9-2.8110.7A52 R53 L55 T67 S69 F70 L73 D508A52-R65 CarbonylContact C-O 3.37Å; A52-R65 WeakPolarHBondContact CA-O 3.27Å; A52-R65 WeakPolarHBondContact CB-O 3.31Å; R53-R65 PolarHBondContact N-O 3.37Å; R53-R65 PolarHBondContact O-N 3.22Å; L55-R65 HydrophobicContact CD2-CB 3.87Å; L55-R65 HydrophobicContact CG-CB 4.48Å; R65-T67 PolarHBondContact O-N 3.01Å; R65-S69 WeakPolarHBondContact CD-O 3.36Å; R65-F70 HydrophobicContact CB-CD2 4.1Å; R65-F70 HydrophobicContact CB-CE2 4.41Å; R65-F70 VanDerWaalsContact CD-O 3.24Å; R65-F70 WeakPolarHBondContact CD-O 3.47Å; R65-F70 HydrophobicContact CG-CD2 4.49Å; R65-F70 PolarHBondContact NH1-O 2.55Å; R65-F70 VanDerWaalsContact NH1-O 3.08Å; R65-L73 HydrophobicContact CG-CD2 4.22Å; R65-D508 WeakPolarHBondContact CB-OD1 3.47Å; R65-D508 VanDerWaalsContact CG-OD1 3.23Å; R65-D508 WeakPolarHBondContact CG-OD1 3.42Å; R65-D508 IonicContact CZ-OD1 3.74Å; R65-D508 IonicContact CZ-OD2 3.83Å; R65-D508 IonicContact NE-OD1 3.41Å; R65-D508 PolarHBondContact NE-OD1 3.17Å; R65-D508 IonicContact NE-OD2 2.7Å; R65-D508 PolarHBondContact NE-OD2 3.36Å; R65-D508 IonicContact NH2-OD1 3.97Å; R65-D508 IonicContact NH2-OD2 2.69Å; R65-D508 PolarHBondContact NH2-OD2 3.47Å
66S95.1Very high90.2Very high8 Ų872.4 Ų72.46%0.05638%0.378CS..EExtended strand (participates in β ladder)trans-55.3138.8170.7-178.70000111.6S68 S69 F70S66-S68 PolarHBondContact O-N 2.86Å; S66-S68 PolarHBondContact OG-N 3.43Å; S66-S68 PolarHBondContact OG-OG 2.97Å; S66-S69 CarbonylContact O-C 3.38Å; S66-S69 PolarHBondContact O-N 2.87Å; S66-F70 WeakPolarHBondContact O-CA 3.37Å; S66-F70 PolarHBondContact O-N 3.44Å
67T94Very high89.7Confident58 Ų5869.6 Ų69.636%0.35636%0.364SS..G310 helixtrans-64.6-27.4173.852.10000112.6V50 K51 R53 R65 S69V50-T67 HydrophobicContact CG1-CG2 4.39Å; K51-T67 WeakPolarHBondContact O-CB 3.29Å; K51-T67 WeakPolarHBondContact O-CG2 3.44Å; K51-T67 PolarHBondContact O-N 3.46Å; K51-T67 PolarHBondContact O-OG1 3.42Å; R53-T67 HydrophobicContact CG-CG2 4.22Å; R65-T67 PolarHBondContact O-N 3.01Å; T67-S69 VanDerWaalsContact C-N 3.31Å; T67-S69 PolarHBondContact O-N 3.21Å
68S88.7Confident89.9Confident93 Ų9366.1 Ų66.165%0.6535%0.345SS*.G310 helixtrans-69.7-27178.160.20000113.3S66S66-S68 PolarHBondContact O-N 2.86Å; S66-S68 PolarHBondContact OG-N 3.43Å; S66-S68 PolarHBondContact OG-OG 2.97Å
69S91.4Very high90Very high12 Ų1265.3 Ų65.38%0.08435%0.346CS..G310 helixtrans-12424.9-178.7620000112.6R65 S66 T67 K71 Q72 S505R65-S69 WeakPolarHBondContact CD-O 3.36Å; S66-S69 CarbonylContact O-C 3.38Å; S66-S69 PolarHBondContact O-N 2.87Å; T67-S69 VanDerWaalsContact C-N 3.31Å; T67-S69 PolarHBondContact O-N 3.21Å; S69-K71 VanDerWaalsContact C-N 3.28Å; S69-K71 PolarHBondContact O-N 3.2Å; S69-K71 VanDerWaalsContact O-N 3.14Å; S69-Q72 WeakPolarHBondContact CB-O 3.01Å; S69-Q72 CarbonylContact O-C 3.54Å; S69-Q72 VanDerWaalsContact O-C 3.23Å; S69-Q72 PolarHBondContact O-N 3.5Å; S69-S505 VanDerWaalsContact OG-CA 3.28Å; S69-S505 WeakPolarHBondContact OG-CA 3.49Å; S69-S505 PolarHBondContact OG-O 3.04Å; S69-S505 VanDerWaalsContact OG-O 3.13Å
70F92.3Very high90.1Very high76 Ų7665.6 Ų65.633%0.33336%0.36SS..THydrogen-bonded Turntrans-57-39.6-169-164.2-105.7000113.5R53 L55 R65 S66R53-F70 HydrophobicContact CB-CE2 3.98Å; L55-F70 HydrophobicContact CD2-CE2 4.12Å; L55-F70 HydrophobicContact CD2-CZ 4.31Å; R65-F70 HydrophobicContact CB-CD2 4.1Å; R65-F70 HydrophobicContact CB-CE2 4.41Å; R65-F70 VanDerWaalsContact CD-O 3.24Å; R65-F70 WeakPolarHBondContact CD-O 3.47Å; R65-F70 HydrophobicContact CG-CD2 4.49Å; R65-F70 PolarHBondContact NH1-O 2.55Å; R65-F70 VanDerWaalsContact NH1-O 3.08Å; S66-F70 WeakPolarHBondContact O-CA 3.37Å; S66-F70 PolarHBondContact O-N 3.44Å
71K92.3Very high90.8Very high209 Ų20963.5 Ų63.591%0.90935%0.346SS*.THydrogen-bonded Turntrans-66.8-39.9179.3-66.8-175.5178.8-178.80112.8S69S69-K71 VanDerWaalsContact C-N 3.28Å; S69-K71 PolarHBondContact O-N 3.2Å; S69-K71 VanDerWaalsContact O-N 3.14Å
72Q92.5Very high91.1Very high159 Ų15962.1 Ų62.174%0.74334%0.336SS*.SBendtrans-159.6137.8-175.7-174.2176.85.600110.3S69S69-Q72 WeakPolarHBondContact CB-O 3.01Å; S69-Q72 CarbonylContact O-C 3.54Å; S69-Q72 VanDerWaalsContact O-C 3.23Å; S69-Q72 PolarHBondContact O-N 3.5Å
73L93.6Very high91.3Very high36 Ų3661.9 Ų61.919%0.18833%0.334CS..  trans-62.5137174.9-62.3178.4000111.1R65 S505 N507R65-L73 HydrophobicContact CG-CD2 4.22Å; L73-S505 WeakPolarHBondContact CA-O 3.49Å; L73-S505 WeakPolarHBondContact CD2-O 3.1Å; L73-N507 WeakPolarHBondContact CD2-O 3.41Å
74S88.9Confident91.4Very high31 Ų3160.9 Ų60.922%0.21733%0.328CS..  trans-88.7125.1175-1730000109.5S505 C506S74-S505 PolarHBondContact N-O 2.89Å; S74-C506 WeakPolarHBondContact O-CA 3.08Å; S74-C506 WeakPolarHBondContact O-CB 3.36Å
75T82Confident91.3Very high56 Ų5659.4 Ų59.434%0.34432%0.322SS..  trans-111.7-27.9179.758.90000113A536T75-A536 HydrophobicContact CG2-CB 3.48Å; T75-A536 VanDerWaalsContact CG2-CB 3.48Å
76V85.6Confident91.3Very high52 Ų5260.7 Ų60.732%0.31533%0.329SS..  trans-137.8141.8-179.2-64.60000109.3D82V76-D82 HydrophobicContact CG1-CB 4.07Å
77R82.7Confident91.4Very high81 Ų8160.7 Ų60.731%0.30633%0.329SS..SBendtrans-83.1-36.7178.7-176.6173.6178.9-171.43.4113.2M307 Y310R77-M307 HydrophobicContact CB-CB 4.27Å; R77-M307 HydrophobicContact CB-CG 4.11Å; R77-M307 HydrophobicContact CB-SD 4.1Å; R77-Y310 VanDerWaalsContact NH1-CZ 3.27Å; R77-Y310 PolarHBondContact NH2-OH 3.19Å
78Y85.9Confident91.5Very high64 Ų6458.2 Ų58.225%0.25131%0.313SS..SBendtrans-119.8132.6-179-53.9-73.4000108.9G80 V81 R90Y78-G80 PolarHBondContact O-N 3.1Å; Y78-V81 WeakPolarHBondContact O-CB 3.48Å; Y78-V81 PolarHBondContact O-N 3.36Å; Y78-R90 VanDerWaalsContact CE1-NH2 3.26Å; Y78-R90 PolarHBondContact OH-NH2 2.99Å
79V86.8Confident91.9Very high150 Ų15055.9 Ų55.991%0.90929%0.294SS*.THydrogen-bonded Turntrans-58.2129.9178.4-179.50000109.5V81V79-V81 VanDerWaalsContact C-N 3.29Å; V79-V81 PolarHBondContact O-N 3.17Å
80G90.1Very high92.1Very high54 Ų5458.2 Ų58.256%0.55730%0.301SS*.THydrogen-bonded Turntrans792.5-178.400000115.5Y78 K86Y78-G80 PolarHBondContact O-N 3.1Å; G80-K86 WeakPolarHBondContact O-CD 3.12Å
81V93.9Very high92.2Very high23 Ų2354.7 Ų54.714%0.13929%0.285CS..  trans-106.874.6175.7-174.20000108.7Y78 V79 K86 A87Y78-V81 WeakPolarHBondContact O-CB 3.48Å; Y78-V81 PolarHBondContact O-N 3.36Å; V79-V81 VanDerWaalsContact C-N 3.29Å; V79-V81 PolarHBondContact O-N 3.17Å; V81-K86 HydrophobicContact CG1-CB 4.3Å; V81-A87 HydrophobicContact CG1-CB 3.65Å
82D94.9Very high92.4Very high49 Ų4945.3 Ų45.326%0.26225%0.245SC..  trans-110.10.1-171.358.5-2.3000113.7V76 K86 P276V76-D82 HydrophobicContact CG1-CB 4.07Å; D82-K86 WeakPolarHBondContact OD1-CD 3.36Å; D82-K86 IonicContact OD1-NZ 3.84Å; D82-K86 PolarHBondContact OD1-NZ 2.88Å; D82-K86 IonicContact OD2-NZ 3.91Å; D82-P276 HydrophobicContact CB-CB 4.43Å; D82-P276 HydrophobicContact CB-CG 3.69Å; D82-P276 VanDerWaalsContact CG-CG 3.46Å; D82-P276 WeakPolarHBondContact OD2-CG 3.33Å
83T96.9Very high92.6Very high0 Ų046 Ų460%025%0.246CC..SBendtrans-133.3154173.459.60000112.2D85 K86 A87 P274 N275 P276 H299 L303T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 WeakPolarHBondContact CB-OD1 3.44Å; T83-D85 PolarHBondContact O-N 3.2Å; T83-D85 PolarHBondContact OG1-OD1 3.39Å; T83-K86 PolarHBondContact O-N 3.11Å; T83-K86 VanDerWaalsContact O-N 3.17Å; T83-K86 VanDerWaalsContact OG1-CD 3.24Å; T83-K86 WeakPolarHBondContact OG1-CD 3.2Å; T83-K86 VanDerWaalsContact OG1-CE 3.27Å; T83-K86 WeakPolarHBondContact OG1-CE 3.42Å; T83-K86 VanDerWaalsContact OG1-CG 3.25Å; T83-K86 WeakPolarHBondContact OG1-CG 3.25Å; T83-A87 PolarHBondContact O-N 2.74Å; T83-P274 HydrophobicContact CG2-CB 4.26Å; T83-N275 VanDerWaalsContact CG2-C 3.47Å; T83-P276 HydrophobicContact CG2-CG 4.21Å; T83-H299 HydrophobicContact CG2-CB 4.1Å; T83-L303 VanDerWaalsContact CA-CD1 3.48Å; T83-L303 VanDerWaalsContact N-CD1 3.34Å
84I97Very high92.6Very high2 Ų247.9 Ų47.91%0.0126%0.259CS..Hα-helixtrans-61.7-38.9-172.5-61.5170.1000111.2A87 F88 L173 F176 A280 H299 L302 L303 L343I84-A87 WeakPolarHBondContact O-CB 3.16Å; I84-A87 PolarHBondContact O-N 2.7Å; I84-F88 PolarHBondContact O-N 2.81Å; I84-L173 HydrophobicContact CG2-CD2 4.48Å; I84-F176 HydrophobicContact CB-CD2 4.25Å; I84-F176 HydrophobicContact CB-CG 4.49Å; I84-F176 HydrophobicContact CD1-CD2 4.26Å; I84-F176 HydrophobicContact CD1-CE2 4.24Å; I84-F176 HydrophobicContact CD1-CG 4.47Å; I84-F176 HydrophobicContact CD1-CZ 4.42Å; I84-F176 HydrophobicContact CG2-CD2 3.63Å; I84-F176 HydrophobicContact CG2-CE2 4.17Å; I84-F176 HydrophobicContact CG2-CG 4.33Å; I84-A280 HydrophobicContact CD1-CB 4.1Å; I84-H299 HydrophobicContact CG1-CB 4.45Å; I84-H299 PolarHBondContact N-ND1 3.21Å; I84-L302 HydrophobicContact CD1-CB 4.03Å; I84-L302 HydrophobicContact CD1-CD1 3.74Å; I84-L303 HydrophobicContact CG1-CD2 4.42Å; I84-L303 HydrophobicContact CG1-CG 4.05Å; I84-L343 HydrophobicContact CD1-CD1 4.3Å; I84-L343 HydrophobicContact CG2-CD2 3.7Å
85D96.9Very high92.9Very high4 Ų448 Ų482%0.02126%0.255CS..Hα-helixtrans-61.7-44.2175.965.1-59.2000111.5T83 A87 F88 D89 K177T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 WeakPolarHBondContact CB-OD1 3.44Å; T83-D85 PolarHBondContact O-N 3.2Å; T83-D85 PolarHBondContact OG1-OD1 3.39Å; D85-A87 VanDerWaalsContact C-N 3.3Å; D85-A87 PolarHBondContact O-N 3.43Å; D85-F88 PolarHBondContact O-N 2.84Å; D85-D89 WeakPolarHBondContact O-CB 3.41Å; D85-D89 PolarHBondContact O-N 2.56Å; D85-K177 HydrophobicContact CB-CB 4.03Å
86K96.7Very high93.5Very high58 Ų5852.1 Ų52.125%0.25226%0.264SS..Hα-helixtrans-64-36.7174.8-65.8173.5-159.9166.40111.7G80 V81 D82 T83 R90G80-K86 WeakPolarHBondContact O-CD 3.12Å; V81-K86 HydrophobicContact CG1-CB 4.3Å; D82-K86 WeakPolarHBondContact OD1-CD 3.36Å; D82-K86 IonicContact OD1-NZ 3.84Å; D82-K86 PolarHBondContact OD1-NZ 2.88Å; D82-K86 IonicContact OD2-NZ 3.91Å; T83-K86 PolarHBondContact O-N 3.11Å; T83-K86 VanDerWaalsContact O-N 3.17Å; T83-K86 VanDerWaalsContact OG1-CD 3.24Å; T83-K86 WeakPolarHBondContact OG1-CD 3.2Å; T83-K86 VanDerWaalsContact OG1-CE 3.27Å; T83-K86 WeakPolarHBondContact OG1-CE 3.42Å; T83-K86 VanDerWaalsContact OG1-CG 3.25Å; T83-K86 WeakPolarHBondContact OG1-CG 3.25Å; K86-R90 WeakPolarHBondContact O-CB 3.45Å; K86-R90 PolarHBondContact O-N 3.4Å
87A95.6Very high94Very high7 Ų756.2 Ų56.26%0.05828%0.284CS..Hα-helixtrans-66.3-40.6176.300000111.6V81 T83 I84 D85 S91 L303V81-A87 HydrophobicContact CG1-CB 3.65Å; T83-A87 PolarHBondContact O-N 2.74Å; I84-A87 WeakPolarHBondContact O-CB 3.16Å; I84-A87 PolarHBondContact O-N 2.7Å; D85-A87 VanDerWaalsContact C-N 3.3Å; D85-A87 PolarHBondContact O-N 3.43Å; A87-S91 PolarHBondContact O-N 3.01Å; A87-S91 VanDerWaalsContact O-N 3.1Å; A87-S91 PolarHBondContact O-OG 3.29Å; A87-L303 HydrophobicContact CB-CD2 3.79Å
88F96.6Very high94.6Very high6 Ų654.5 Ų54.53%0.02628%0.279CS..Hα-helixtrans-67-46.5174.1-175.8-112000111.5I84 D85 R90 S91 V92 Y133 V136 D137 V140 L173 L346I84-F88 PolarHBondContact O-N 2.81Å; D85-F88 PolarHBondContact O-N 2.84Å; F88-R90 VanDerWaalsContact C-N 3.3Å; F88-R90 PolarHBondContact O-N 2.78Å; F88-S91 CarbonylContact O-C 3.54Å; F88-S91 WeakPolarHBondContact O-CA 3.45Å; F88-S91 VanDerWaalsContact O-CB 3.31Å; F88-S91 WeakPolarHBondContact O-CB 3.31Å; F88-S91 PolarHBondContact O-N 3.13Å; F88-V92 HydrophobicContact CD1-CG2 4.07Å; F88-V92 HydrophobicContact CD2-CG2 4.45Å; F88-V92 HydrophobicContact CE1-CG2 3.63Å; F88-V92 HydrophobicContact CE2-CG2 4.05Å; F88-V92 HydrophobicContact CG-CG2 4.44Å; F88-V92 HydrophobicContact CZ-CG2 3.6Å; F88-V92 WeakPolarHBondContact O-CG2 3.4Å; F88-V92 PolarHBondContact O-N 3.48Å; F88-Y133 HydrophobicContact CE2-CD1 4.29Å; F88-V136 HydrophobicContact CE2-CG1 4.29Å; F88-V136 HydrophobicContact CZ-CB 4.34Å; F88-V136 HydrophobicContact CZ-CG1 3.67Å; F88-D137 HydrophobicContact CE1-CB 4.12Å; F88-V140 HydrophobicContact CE1-CG2 4.19Å; F88-L173 HydrophobicContact CB-CD2 4.28Å; F88-L173 HydrophobicContact CD2-CD1 4.07Å; F88-L173 HydrophobicContact CD2-CD2 4.26Å; F88-L173 HydrophobicContact CE1-CD1 4.42Å; F88-L173 HydrophobicContact CE2-CD1 3.92Å; F88-L173 HydrophobicContact CG-CD1 4.41Å; F88-L173 HydrophobicContact CG-CD2 4.12Å; F88-L173 HydrophobicContact CZ-CD1 4.12Å; F88-L346 HydrophobicContact CD2-CD1 4.24Å; F88-L346 HydrophobicContact CE2-CD2 4.43Å
89D96.9Very high95.2Very high45 Ų4553.5 Ų53.524%0.24128%0.28CS..Hα-helixtrans-58.3-40.5176.9-80-1.4000112.4D85 S91 V92 K93 K177D85-D89 WeakPolarHBondContact O-CB 3.41Å; D85-D89 PolarHBondContact O-N 2.56Å; D89-S91 VanDerWaalsContact C-N 3.32Å; D89-V92 PolarHBondContact O-N 3.09Å; D89-K93 WeakPolarHBondContact O-CG 3.34Å; D89-K93 PolarHBondContact O-N 3.24Å; D89-K177 VanDerWaalsContact OD1-CE 3.26Å; D89-K177 WeakPolarHBondContact OD1-CE 3.49Å; D89-K177 IonicContact OD1-NZ 3.67Å; D89-K177 PolarHBondContact OD1-NZ 3.12Å; D89-K177 IonicContact OD2-NZ 3.54Å
90R96Very high95.7Very high61 Ų6146.3 Ų46.323%0.2324%0.237CC..Hα-helixtrans-59.8-46.3171.8-177.1-168.4168.4-73.2-4.7110.7Y78 K86 F88 V92 K93 V94Y78-R90 VanDerWaalsContact CE1-NH2 3.26Å; Y78-R90 PolarHBondContact OH-NH2 2.99Å; K86-R90 WeakPolarHBondContact O-CB 3.45Å; K86-R90 PolarHBondContact O-N 3.4Å; F88-R90 VanDerWaalsContact C-N 3.3Å; F88-R90 PolarHBondContact O-N 2.78Å; R90-V92 VanDerWaalsContact C-N 3.33Å; R90-V92 PolarHBondContact O-N 3.39Å; R90-K93 PolarHBondContact O-N 3.21Å; R90-V94 WeakPolarHBondContact O-CG2 3.49Å; R90-V94 PolarHBondContact O-N 2.82Å
91S94.6Very high96Very high1 Ų143.8 Ų43.81%0.00721%0.21CC..Hα-helixtrans-63.6-39.7-179.2-54.70000111.7A87 F88 D89 K93 V94 Y95 L346 S347A87-S91 PolarHBondContact O-N 3.01Å; A87-S91 VanDerWaalsContact O-N 3.1Å; A87-S91 PolarHBondContact O-OG 3.29Å; F88-S91 CarbonylContact O-C 3.54Å; F88-S91 WeakPolarHBondContact O-CA 3.45Å; F88-S91 VanDerWaalsContact O-CB 3.31Å; F88-S91 WeakPolarHBondContact O-CB 3.31Å; F88-S91 PolarHBondContact O-N 3.13Å; D89-S91 VanDerWaalsContact C-N 3.32Å; S91-K93 PolarHBondContact O-N 3.06Å; S91-V94 PolarHBondContact O-N 3.31Å; S91-Y95 WeakPolarHBondContact O-CB 3.5Å; S91-Y95 VanDerWaalsContact O-CD2 3.28Å; S91-Y95 WeakPolarHBondContact O-CD2 3.32Å; S91-Y95 PolarHBondContact O-N 3.48Å; S91-L346 VanDerWaalsContact CB-O 3.27Å; S91-L346 WeakPolarHBondContact CB-O 3.2Å; S91-L346 PolarHBondContact OG-O 3.34Å; S91-S347 WeakPolarHBondContact OG-CA 3.48Å
92V97.1Very high96.2Very high13 Ų1342.7 Ų42.78%0.07920%0.204CC..Hα-helixtrans-61.9-43173.71750000111.1F88 D89 R90 V94 R96 Y133 D137F88-V92 HydrophobicContact CD1-CG2 4.07Å; F88-V92 HydrophobicContact CD2-CG2 4.45Å; F88-V92 HydrophobicContact CE1-CG2 3.63Å; F88-V92 HydrophobicContact CE2-CG2 4.05Å; F88-V92 HydrophobicContact CG-CG2 4.44Å; F88-V92 HydrophobicContact CZ-CG2 3.6Å; F88-V92 WeakPolarHBondContact O-CG2 3.4Å; F88-V92 PolarHBondContact O-N 3.48Å; D89-V92 PolarHBondContact O-N 3.09Å; R90-V92 VanDerWaalsContact C-N 3.33Å; R90-V92 PolarHBondContact O-N 3.39Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 2.79Å; V92-R96 WeakPolarHBondContact O-CA 3.48Å; V92-R96 VanDerWaalsContact O-CB 3.27Å; V92-R96 WeakPolarHBondContact O-CB 3.31Å; V92-R96 PolarHBondContact O-N 3.45Å; V92-Y133 HydrophobicContact CG2-CD1 4.39Å; V92-D137 HydrophobicContact CB-CB 4.48Å; V92-D137 HydrophobicContact CG1-CB 3.87Å; V92-D137 HydrophobicContact CG2-CB 3.79Å
93K96.3Very high96.3Very high172 Ų17242.2 Ų42.275%0.74820%0.203SC*.Hα-helixtrans-62.2-38.6176.3-71.5170.3-173.6174.60112.6D89 R90 S91D89-K93 WeakPolarHBondContact O-CG 3.34Å; D89-K93 PolarHBondContact O-N 3.24Å; R90-K93 PolarHBondContact O-N 3.21Å; S91-K93 PolarHBondContact O-N 3.06Å
94V93.9Very high96.2Very high77 Ų7742.7 Ų42.747%0.46721%0.205SC..Hα-helixtrans-83.2-39.7-176.2178.60000112.3R90 S91 V92R90-V94 WeakPolarHBondContact O-CG2 3.49Å; R90-V94 PolarHBondContact O-N 2.82Å; S91-V94 PolarHBondContact O-N 3.31Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 2.79Å
95Y94.7Very high96Very high33 Ų3346 Ų4613%0.12922%0.22CC..Hα-helixtrans-114.117.4-170-52.3-63.1000113.6S91 N97 K98 Y133 T348 G349S91-Y95 WeakPolarHBondContact O-CB 3.5Å; S91-Y95 VanDerWaalsContact O-CD2 3.28Å; S91-Y95 WeakPolarHBondContact O-CD2 3.32Å; S91-Y95 PolarHBondContact O-N 3.48Å; Y95-N97 VanDerWaalsContact C-N 3.34Å; Y95-N97 PolarHBondContact O-N 3.36Å; Y95-K98 HydrophobicContact CD1-CD 4.03Å; Y95-K98 VanDerWaalsContact O-CB 3.28Å; Y95-K98 WeakPolarHBondContact O-CB 3.16Å; Y95-K98 PolarHBondContact O-N 2.85Å; Y95-Y133 WeakPolarHBondContact O-CD2 3.48Å; Y95-T348 VanDerWaalsContact CZ-C 3.5Å; Y95-T348 PolarHBondContact OH-O 2.63Å; Y95-G349 VanDerWaalsContact CE2-N 3.33Å
96R95.4Very high95.8Very high142 Ų14247 Ų4754%0.53623%0.226SC..THydrogen-bonded Turntrans-30.2-58.4-171.6-167.2175.7-172.5-177.60.4116.1V92 Y133 D134V92-R96 WeakPolarHBondContact O-CA 3.48Å; V92-R96 VanDerWaalsContact O-CB 3.27Å; V92-R96 WeakPolarHBondContact O-CB 3.31Å; V92-R96 PolarHBondContact O-N 3.45Å; R96-Y133 PolarHBondContact O-N 2.78Å; R96-D134 HydrophobicContact CG-CB 3.79Å; R96-D134 IonicContact CZ-OD1 3.84Å; R96-D134 IonicContact NE-OD1 2.86Å; R96-D134 PolarHBondContact NE-OD1 3.39Å; R96-D134 IonicContact NH2-OD1 2.83Å; R96-D134 PolarHBondContact NH2-OD1 2.96Å; R96-D134 PolarHBondContact O-N 3.05Å
97N95.9Very high95.5Very high138 Ų13848.7 Ų48.774%0.73824%0.238SC*.THydrogen-bonded Turntrans-92.61.8-173.2-60.2-25.7000113.7Y95Y95-N97 VanDerWaalsContact C-N 3.34Å; Y95-N97 PolarHBondContact O-N 3.36Å
98K95.4Very high95.3Very high45 Ų4549.9 Ų49.920%0.19625%0.246CC..SBendtrans-81.3151.7-178.6-58.4-160178.5-154.30110.9Y95 C100 S132 Y133 D322Y95-K98 HydrophobicContact CD1-CD 4.03Å; Y95-K98 VanDerWaalsContact O-CB 3.28Å; Y95-K98 WeakPolarHBondContact O-CB 3.16Å; Y95-K98 PolarHBondContact O-N 2.85Å; K98-C100 PolarHBondContact O-N 3.27Å; K98-S132 CarbonylContact O-C 3.53Å; K98-S132 WeakPolarHBondContact O-CA 3.26Å; K98-Y133 HydrophobicContact CB-CD2 4.29Å; K98-Y133 WeakPolarHBondContact O-CD2 3.09Å; K98-Y133 PolarHBondContact O-N 3.49Å; K98-Y133 VanDerWaalsContact O-N 3.09Å; K98-D322 IonicContact NZ-OD1 3.81Å; K98-D322 PolarHBondContact NZ-OD1 2.9Å; K98-D322 IonicContact NZ-OD2 3.91Å; K98-D322 PolarHBondContact NZ-OD2 3.26Å
99P96.7Very high94.9Very high43 Ų4351.8 Ų51.828%0.27926%0.258SS..EExtended strand (participates in β ladder)trans-57.1133.5170.1-21.232.4000110.7W130 R351P99-W130 HydrophobicContact CB-CB 4.11Å; P99-W130 HydrophobicContact CB-CD2 4.05Å; P99-W130 HydrophobicContact CB-CE3 3.9Å; P99-W130 HydrophobicContact CB-CG 4.16Å; P99-R351 HydrophobicContact CB-CB 4.13Å; P99-R351 VanDerWaalsContact O-CB 3.31Å; P99-R351 WeakPolarHBondContact O-CB 3.37Å
100C97.4Very high94.6Very high0 Ų052.8 Ų52.80%026%0.261CS..EExtended strand (participates in β ladder)trans-112.8-67.8-179.8-176.20000110K98 Q131 Y133 V136 L346 R351 I352K98-C100 PolarHBondContact O-N 3.27Å; C100-Q131 WeakPolarHBondContact CB-O 3.29Å; C100-Q131 PolarHBondContact N-O 3.31Å; C100-Y133 HydrophobicContact CB-CD1 4.27Å; C100-Y133 HydrophobicContact CB-CD2 3.57Å; C100-Y133 HydrophobicContact CB-CE1 4.42Å; C100-Y133 HydrophobicContact CB-CE2 3.71Å; C100-Y133 HydrophobicContact CB-CG 3.84Å; C100-V136 HydrophobicContact CB-CG2 4.03Å; C100-L346 WeakPolarHBondContact SG-CD2 3.4Å; C100-R351 CarbonylContact O-C 3.52Å; C100-R351 WeakPolarHBondContact O-CA 3.36Å; C100-I352 PolarHBondContact O-N 3.19Å
101L98.3Very high94.1Very high0 Ų058.3 Ų58.30%028%0.282CS..EExtended strand (participates in β ladder)trans-120134.4-176.3-56.8-177.2000110.9W130 Q131 V136 A166 L169 I170 L346 I352 Y354L101-W130 WeakPolarHBondContact O-CA 3.34Å; L101-Q131 PolarHBondContact N-O 2.95Å; L101-Q131 PolarHBondContact O-N 2.92Å; L101-V136 HydrophobicContact CB-CG2 4.43Å; L101-V136 HydrophobicContact CD1-CG1 4.24Å; L101-V136 HydrophobicContact CD1-CG2 4.1Å; L101-V136 HydrophobicContact CG-CG2 4.1Å; L101-A166 HydrophobicContact CB-CB 4.2Å; L101-A166 HydrophobicContact CD1-CB 4.25Å; L101-L169 HydrophobicContact CD1-CD2 4.3Å; L101-L169 HydrophobicContact CD2-CD2 3.93Å; L101-I170 HydrophobicContact CD1-CD1 4.05Å; L101-I170 HydrophobicContact CD1-CG1 3.72Å; L101-L346 HydrophobicContact CD2-CD2 4.33Å; L101-I352 CarbonylContact C-O 3.57Å; L101-I352 WeakPolarHBondContact CA-O 3.29Å; L101-I352 HydrophobicContact CD2-CB 3.96Å; L101-I352 HydrophobicContact CD2-CD1 3.96Å; L101-I352 HydrophobicContact CD2-CG1 4.45Å; L101-Y354 HydrophobicContact CB-CE2 4.22Å; L101-Y354 HydrophobicContact CD2-CE2 4.07Å; L101-Y354 HydrophobicContact CG-CE2 4.49Å
102G97.4Very high93.5Very high0 Ų061.7 Ų61.70%030%0.298CS..EExtended strand (participates in β ladder)trans-121.5130.3-178.100000112.2K129 W130 I352 Y354G102-K129 WeakPolarHBondContact CA-O 3.38Å; G102-W130 VanDerWaalsContact CA-CE3 3.48Å; G102-I352 PolarHBondContact N-O 2.99Å; G102-Y354 WeakPolarHBondContact O-CD2 3.45Å; G102-Y354 PolarHBondContact O-N 2.73Å
103T96.4Very high92.8Very high40 Ų4066 Ų6625%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-117.1140.1172.7-56.10000109.4K129T103-K129 PolarHBondContact N-O 2.96Å; T103-K129 PolarHBondContact O-N 3.04Å
104R94.5Very high91.8Very high9 Ų960.7 Ų60.73%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-82.1135.8-178.3-158.5164.3179.8-150.1-10.1111.6L125 G126 Y128 R372 D374R104-L125 HydrophobicContact CG-CB 4.09Å; R104-L125 PolarHBondContact NH2-O 3.43Å; R104-L125 VanDerWaalsContact NH2-O 3.11Å; R104-G126 WeakPolarHBondContact CG-O 3.49Å; R104-G126 PolarHBondContact NE-O 2.89Å; R104-Y128 HydrophobicContact CB-CD1 4.39Å; R104-Y128 HydrophobicContact CB-CD2 4.46Å; R104-Y128 HydrophobicContact CB-CE1 4.05Å; R104-Y128 HydrophobicContact CB-CE2 4.12Å; R104-Y128 HydrophobicContact CG-CD2 4.2Å; R104-Y128 HydrophobicContact CG-CE2 3.96Å; R104-R372 VanDerWaalsContact CZ-O 3.31Å; R104-R372 PolarHBondContact NH1-O 2.85Å; R104-R372 PolarHBondContact NH2-O 3.24Å; R104-D374 WeakPolarHBondContact CD-OD1 3.25Å; R104-D374 IonicContact CZ-OD1 3.89Å; R104-D374 IonicContact NE-OD1 2.7Å; R104-D374 IonicContact NH1-OD1 3.46Å; R104-D374 PolarHBondContact NH1-OD1 3.14Å
105E93.1Very high91Very high71 Ų7163.6 Ų63.633%0.33232%0.324SS..EExtended strand (participates in β ladder)trans-68.6132.8176-177.1168.7-126.800111.4L107 L125 G126 D127 K129E105-L107 HydrophobicContact CG-CD2 4.02Å; E105-L125 CarbonylContact O-C 3.59Å; E105-L125 WeakPolarHBondContact O-CA 3.37Å; E105-G126 PolarHBondContact O-N 2.98Å; E105-D127 PolarHBondContact N-O 3.14Å; E105-K129 WeakPolarHBondContact OE1-CE 3.39Å; E105-K129 IonicContact OE1-NZ 3.09Å; E105-K129 PolarHBondContact OE1-NZ 2.77Å
106V92.3Very high90.1Very high26 Ų2666.5 Ų66.516%0.15834%0.342CS..EExtended strand (participates in β ladder)trans-94.2109.9174.3-1760000108.4V109 L125 Y236 L238V106-V109 HydrophobicContact CG1-CG2 3.77Å; V106-L125 HydrophobicContact CB-CD2 4.44Å; V106-L125 HydrophobicContact CG2-CD2 4.05Å; V106-Y236 HydrophobicContact CG2-CD1 4.41Å; V106-L238 HydrophobicContact CG1-CD2 4.44Å
107L91.4Very high89Confident93 Ų9362.9 Ų62.949%0.48735%0.349SS..EExtended strand (participates in β ladder)trans-85.9-42.3-179.5-59.7174.9000111.5E105 N124E105-L107 HydrophobicContact CG-CD2 4.02Å; L107-N124 HydrophobicContact CB-CB 4.5Å; L107-N124 WeakPolarHBondContact CB-O 3.29Å; L107-N124 PolarHBondContact N-O 2.95Å
108S90.4Very high87.9Confident33 Ų3363.9 Ų63.923%0.23134%0.342CS..EExtended strand (participates in β ladder)trans-155.8152.8173.365.90000112N124S108-N124 PolarHBondContact N-O 3.38Å; S108-N124 PolarHBondContact O-N 3.3Å; S108-N124 VanDerWaalsContact OG-CB 3.26Å; S108-N124 WeakPolarHBondContact OG-CB 3.47Å
109V89.8Confident86.9Confident46 Ų4665.6 Ų65.628%0.27936%0.357SS..EExtended strand (participates in β ladder)trans-118.8116171.2-174.60000107.5V106 E121 L123V106-V109 HydrophobicContact CG1-CG2 3.77Å; V109-E121 HydrophobicContact CG1-CB 4.34Å; V109-E121 HydrophobicContact CG1-CG 4.37Å; V109-L123 HydrophobicContact CB-CD2 4.39Å; V109-L123 HydrophobicContact CG1-CD2 4.11Å; V109-L123 HydrophobicContact CG2-CD2 3.81Å
110E89.3Confident86.1Confident66 Ų6668.5 Ų68.531%0.30837%0.365SS..EExtended strand (participates in β ladder)trans-108.4134179.9-73.7168.2-144.600109.7E121 K122 K368E110-E121 CarbonylContact O-C 3.56Å; E110-E121 WeakPolarHBondContact O-CA 3.12Å; E110-K122 HydrophobicContact CB-CB 4.31Å; E110-K122 PolarHBondContact N-O 2.91Å; E110-K122 PolarHBondContact O-N 3.48Å; E110-K368 IonicContact OE1-NZ 2.86Å; E110-K368 PolarHBondContact OE1-NZ 2.8Å; E110-K368 WeakPolarHBondContact OE2-CE 3.23Å; E110-K368 IonicContact OE2-NZ 2.89Å; E110-K368 PolarHBondContact OE2-NZ 3.13Å
111R86.1Confident85.5Confident177 Ų17771.7 Ų71.767%0.66838%0.38SS*.EExtended strand (participates in β ladder)trans-101.9107.7178.9-80.8-179.3178.2178.21.1109.2P113 T119 E121R111-P113 VanDerWaalsContact O-CD 3.27Å; R111-P113 WeakPolarHBondContact O-CD 3.28Å; R111-T119 HydrophobicContact CB-CG2 3.6Å; R111-T119 HydrophobicContact CG-CG2 4.06Å; R111-E121 HydrophobicContact CG-CG 4.02Å; R111-E121 IonicContact CZ-OE1 3.63Å; R111-E121 IonicContact NE-OE1 3.29Å; R111-E121 PolarHBondContact NE-OE1 3.14Å; R111-E121 VanDerWaalsContact NE-OE1 3.1Å; R111-E121 IonicContact NH2-OE1 2.67Å; R111-E121 PolarHBondContact NH2-OE1 3.45Å
112E82.5Confident85.1Confident72 Ų7273.4 Ų73.434%0.33639%0.387SS..EExtended strand (participates in β ladder)trans-93.9106.7177.8-71.5-177.3174.900110Q114 F120 K122E112-Q114 PolarHBondContact O-N 2.9Å; E112-F120 PolarHBondContact N-O 2.99Å; E112-F120 PolarHBondContact O-N 3Å; E112-K122 VanDerWaalsContact CD-CG 3.4Å; E112-K122 HydrophobicContact CG-CG 3.91Å; E112-K122 WeakPolarHBondContact OE2-CE 3.4Å; E112-K122 WeakPolarHBondContact OE2-CG 3.17Å
113P81.2Confident84.8Confident104 Ų10473.5 Ų73.568%0.67539%0.388SS*.EExtended strand (participates in β ladder)trans-65133.6172.226.6-32.1000110R111R111-P113 VanDerWaalsContact O-CD 3.27Å; R111-P113 WeakPolarHBondContact O-CD 3.28Å
114Q76.7Confident84.6Confident59 Ų5974.1 Ų74.128%0.27639%0.39SS..  trans-95155.7176.4-63.5-60.9-54.800110.5E112 D116 G117 R118 F120E112-Q114 PolarHBondContact O-N 2.9Å; Q114-D116 WeakPolarHBondContact CB-OD1 3.21Å; Q114-D116 PolarHBondContact O-N 2.96Å; Q114-G117 PolarHBondContact O-N 2.83Å; Q114-R118 HydrophobicContact CB-CB 4.43Å; Q114-R118 VanDerWaalsContact CB-O 3.26Å; Q114-R118 WeakPolarHBondContact CB-O 3.42Å; Q114-R118 PolarHBondContact N-O 2.83Å; Q114-F120 HydrophobicContact CG-CD2 3.39Å; Q114-F120 HydrophobicContact CG-CE2 3.52Å; Q114-F120 HydrophobicContact CG-CG 4.1Å; Q114-F120 HydrophobicContact CG-CZ 4.33Å
115P75.4Confident84.6Confident139 Ų13974.2 Ų74.290%0.90339%0.391SS*.THydrogen-bonded Turntrans-58.7-20.9177.7-23.733.4000114.4G117P115-G117 VanDerWaalsContact C-N 3.33Å
116D76.1Confident84.6Confident94 Ų9471.4 Ų71.450%0.50338%0.381SS..THydrogen-bonded Turntrans-91.610.2178.170.3-8.2000113.5Q114 R118Q114-D116 WeakPolarHBondContact CB-OD1 3.21Å; Q114-D116 PolarHBondContact O-N 2.96Å; D116-R118 VanDerWaalsContact C-N 3.26Å; D116-R118 PolarHBondContact O-N 2.98Å; D116-R118 WeakPolarHBondContact OD1-CB 3.25Å; D116-R118 PolarHBondContact OD1-N 2.98Å; D116-R118 VanDerWaalsContact OD1-N 3.16Å; D116-R118 IonicContact OD1-NE 3.24Å; D116-R118 IonicContact OD2-CZ 3.13Å; D116-R118 IonicContact OD2-NE 3.54Å; D116-R118 PolarHBondContact OD2-NE 2.87Å; D116-R118 IonicContact OD2-NH2 3.18Å; D116-R118 PolarHBondContact OD2-NH2 3.41Å
117G73Confident84.7Confident66 Ų6675.9 Ų75.968%0.6840%0.404SS*.SBendtrans82.5-7179.200000114.6Q114 P115Q114-G117 PolarHBondContact O-N 2.83Å; P115-G117 VanDerWaalsContact C-N 3.33Å
118R72.8Confident85Confident159 Ų15972.4 Ų72.460%0.638%0.384SS*.  trans-71.5151.3172.4-72.6-175.3-93.9-153-14.3110.4Q114 D116Q114-R118 HydrophobicContact CB-CB 4.43Å; Q114-R118 VanDerWaalsContact CB-O 3.26Å; Q114-R118 WeakPolarHBondContact CB-O 3.42Å; Q114-R118 PolarHBondContact N-O 2.83Å; D116-R118 VanDerWaalsContact C-N 3.26Å; D116-R118 PolarHBondContact O-N 2.98Å; D116-R118 WeakPolarHBondContact OD1-CB 3.25Å; D116-R118 PolarHBondContact OD1-N 2.98Å; D116-R118 VanDerWaalsContact OD1-N 3.16Å; D116-R118 IonicContact OD1-NE 3.24Å; D116-R118 IonicContact OD2-CZ 3.13Å; D116-R118 IonicContact OD2-NE 3.54Å; D116-R118 PolarHBondContact OD2-NE 2.87Å; D116-R118 IonicContact OD2-NH2 3.18Å; D116-R118 PolarHBondContact OD2-NH2 3.41Å
119T73.5Confident85.3Confident81 Ų8176.9 Ų76.950%0.49740%0.4SS..EExtended strand (participates in β ladder)trans-112.9122.2173.5-43.70000107.9R111R111-T119 HydrophobicContact CB-CG2 3.6Å; R111-T119 HydrophobicContact CG-CG2 4.06Å
120F80.2Confident85.7Confident103 Ų10378.5 Ų78.545%0.45240%0.401SS..EExtended strand (participates in β ladder)trans-96.1130.9172.7-71.7-38.4000110.1E112 Q114E112-F120 PolarHBondContact N-O 2.99Å; E112-F120 PolarHBondContact O-N 3Å; Q114-F120 HydrophobicContact CG-CD2 3.39Å; Q114-F120 HydrophobicContact CG-CE2 3.52Å; Q114-F120 HydrophobicContact CG-CG 4.1Å; Q114-F120 HydrophobicContact CG-CZ 4.33Å
121E85.6Confident86.1Confident67 Ų6777.1 Ų77.131%0.31339%0.394SS..EExtended strand (participates in β ladder)trans-82.2125.1171.1-69.5-173.7158.700110V109 E110 R111V109-E121 HydrophobicContact CG1-CB 4.34Å; V109-E121 HydrophobicContact CG1-CG 4.37Å; E110-E121 CarbonylContact O-C 3.56Å; E110-E121 WeakPolarHBondContact O-CA 3.12Å; R111-E121 HydrophobicContact CG-CG 4.02Å; R111-E121 IonicContact CZ-OE1 3.63Å; R111-E121 IonicContact NE-OE1 3.29Å; R111-E121 PolarHBondContact NE-OE1 3.14Å; R111-E121 VanDerWaalsContact NE-OE1 3.1Å; R111-E121 IonicContact NH2-OE1 2.67Å; R111-E121 PolarHBondContact NH2-OE1 3.45Å
122K89.9Confident86.6Confident36 Ų3669.9 Ų69.916%0.15737%0.371CS..EExtended strand (participates in β ladder)trans-109.2125.4173.2-66.5-57.3-167170.10109.4E110 E112 S365 K366 K368E110-K122 HydrophobicContact CB-CB 4.31Å; E110-K122 PolarHBondContact N-O 2.91Å; E110-K122 PolarHBondContact O-N 3.48Å; E112-K122 VanDerWaalsContact CD-CG 3.4Å; E112-K122 HydrophobicContact CG-CG 3.91Å; E112-K122 WeakPolarHBondContact OE2-CE 3.4Å; E112-K122 WeakPolarHBondContact OE2-CG 3.17Å; K122-S365 PolarHBondContact NZ-O 3.37Å; K122-K366 CarbonylContact C-O 3.55Å; K122-K366 WeakPolarHBondContact CA-O 3.25Å; K122-K368 HydrophobicContact CB-CB 4.35Å
123L91.4Very high87.4Confident2 Ų266.5 Ų66.51%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-100.1130.5-177.9-58.4172.7000109.2V109 L125 Y236 T359 K366 K368V109-L123 HydrophobicContact CB-CD2 4.39Å; V109-L123 HydrophobicContact CG1-CD2 4.11Å; V109-L123 HydrophobicContact CG2-CD2 3.81Å; L123-L125 HydrophobicContact CB-CD1 4.22Å; L123-L125 HydrophobicContact CB-CD2 3.95Å; L123-L125 HydrophobicContact CB-CG 3.85Å; L123-L125 HydrophobicContact CD1-CD1 4.43Å; L123-L125 HydrophobicContact CD1-CD2 4.47Å; L123-Y236 HydrophobicContact CD1-CD1 3.83Å; L123-Y236 HydrophobicContact CD1-CD2 3.92Å; L123-Y236 HydrophobicContact CD1-CE1 4.45Å; L123-Y236 HydrophobicContact CD1-CG 3.53Å; L123-T359 HydrophobicContact CD1-CG2 3.85Å; L123-K366 WeakPolarHBondContact CB-O 3.39Å; L123-K366 HydrophobicContact CD1-CB 4.03Å; L123-K366 HydrophobicContact CD1-CD 4.22Å; L123-K366 HydrophobicContact CG-CB 4.35Å; L123-K366 PolarHBondContact N-O 3.42Å; L123-K368 WeakPolarHBondContact O-CB 3.43Å; L123-K368 PolarHBondContact O-N 3Å
124N91.5Very high88.2Confident54 Ų5463.9 Ų63.929%0.28934%0.336SS..EExtended strand (participates in β ladder)trans-101116.4159.6-171.419.9000108L107 S108L107-N124 HydrophobicContact CB-CB 4.5Å; L107-N124 WeakPolarHBondContact CB-O 3.29Å; L107-N124 PolarHBondContact N-O 2.95Å; S108-N124 PolarHBondContact N-O 3.38Å; S108-N124 PolarHBondContact O-N 3.3Å; S108-N124 VanDerWaalsContact OG-CB 3.26Å; S108-N124 WeakPolarHBondContact OG-CB 3.47Å
125L93.3Very high89.2Confident11 Ų1163.4 Ų63.46%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-118.2133.2-169.1-62.2176.6000110.1R104 E105 V106 L123 Y236 T359 I367R104-L125 HydrophobicContact CG-CB 4.09Å; R104-L125 PolarHBondContact NH2-O 3.43Å; R104-L125 VanDerWaalsContact NH2-O 3.11Å; E105-L125 CarbonylContact O-C 3.59Å; E105-L125 WeakPolarHBondContact O-CA 3.37Å; V106-L125 HydrophobicContact CB-CD2 4.44Å; V106-L125 HydrophobicContact CG2-CD2 4.05Å; L123-L125 HydrophobicContact CB-CD1 4.22Å; L123-L125 HydrophobicContact CB-CD2 3.95Å; L123-L125 HydrophobicContact CB-CG 3.85Å; L123-L125 HydrophobicContact CD1-CD1 4.43Å; L123-L125 HydrophobicContact CD1-CD2 4.47Å; L125-Y236 HydrophobicContact CD1-CD1 4.27Å; L125-Y236 HydrophobicContact CD1-CE1 3.91Å; L125-Y236 HydrophobicContact CD2-CD1 3.88Å; L125-Y236 HydrophobicContact CD2-CE1 4.26Å; L125-T359 HydrophobicContact CD1-CG2 4.2Å; L125-I367 HydrophobicContact CD1-CD1 3.79Å
126G93.6Very high90.3Very high12 Ų1256.8 Ų56.812%0.12429%0.294CS..EExtended strand (participates in β ladder)trans-84.9-148.6177.700000112.8R104 E105R104-G126 WeakPolarHBondContact CG-O 3.49Å; R104-G126 PolarHBondContact NE-O 2.89Å; E105-G126 PolarHBondContact O-N 2.98Å
127D95.8Very high91.4Very high119 Ų11953 Ų5364%0.63627%0.274SS*.EExtended strand (participates in β ladder)trans-82.1167.8178.7-71.5-42000112.4E105E105-D127 PolarHBondContact N-O 3.14Å
128Y96.7Very high92.6Very high20 Ų2053.8 Ų53.88%0.07826%0.256CS..EExtended strand (participates in β ladder)trans-80.4126.7174.1-84.9-95.7000111.3R104 W130 Y354 D374 V377 L378R104-Y128 HydrophobicContact CB-CD1 4.39Å; R104-Y128 HydrophobicContact CB-CD2 4.46Å; R104-Y128 HydrophobicContact CB-CE1 4.05Å; R104-Y128 HydrophobicContact CB-CE2 4.12Å; R104-Y128 HydrophobicContact CG-CD2 4.2Å; R104-Y128 HydrophobicContact CG-CE2 3.96Å; Y128-W130 HydrophobicContact CG-CZ2 4.49Å; Y128-Y354 WeakPolarHBondContact CE1-O 3.33Å; Y128-Y354 PolarHBondContact OH-O 2.95Å; Y128-D374 WeakPolarHBondContact OH-CB 3.47Å; Y128-D374 VanDerWaalsContact OH-CG 3.27Å; Y128-D374 PolarHBondContact OH-OD1 2.61Å; Y128-V377 HydrophobicContact CD2-CB 4.48Å; Y128-V377 HydrophobicContact CD2-CG1 3.92Å; Y128-V377 HydrophobicContact CE2-CB 4.42Å; Y128-V377 HydrophobicContact CE2-CG1 4.34Å; Y128-L378 HydrophobicContact CD1-CD2 3.78Å; Y128-L378 HydrophobicContact CD2-CD2 3.54Å; Y128-L378 HydrophobicContact CD2-CG 3.89Å; Y128-L378 HydrophobicContact CE1-CD1 4.15Å; Y128-L378 HydrophobicContact CE1-CD2 3.74Å; Y128-L378 HydrophobicContact CE1-CG 4.12Å; Y128-L378 HydrophobicContact CE2-CD1 4Å; Y128-L378 HydrophobicContact CE2-CD2 3.49Å; Y128-L378 VanDerWaalsContact CE2-CD2 3.49Å; Y128-L378 HydrophobicContact CE2-CG 3.34Å; Y128-L378 HydrophobicContact CG-CD2 3.68Å; Y128-L378 HydrophobicContact CG-CG 4.47Å; Y128-L378 VanDerWaalsContact CZ-CG 3.47Å; Y128-L378 WeakPolarHBondContact OH-CD1 3.42Å
129K96.7Very high93.8Very high127 Ų12747.1 Ų47.155%0.55223%0.231SC*.EExtended strand (participates in β ladder)trans-91.3118.8168.5-64.5-174.8-178.6174.30108.8G102 T103 E105G102-K129 WeakPolarHBondContact CA-O 3.38Å; T103-K129 PolarHBondContact N-O 2.96Å; T103-K129 PolarHBondContact O-N 3.04Å; E105-K129 WeakPolarHBondContact OE1-CE 3.39Å; E105-K129 IonicContact OE1-NZ 3.09Å; E105-K129 PolarHBondContact OE1-NZ 2.77Å
130W97.4Very high95Very high81 Ų8143.3 Ų43.331%0.30721%0.207SC..EExtended strand (participates in β ladder)trans-100.7135.4-174.2-66.795000111.8P99 L101 G102 Y128 R351 I352 L378P99-W130 HydrophobicContact CB-CB 4.11Å; P99-W130 HydrophobicContact CB-CD2 4.05Å; P99-W130 HydrophobicContact CB-CE3 3.9Å; P99-W130 HydrophobicContact CB-CG 4.16Å; L101-W130 WeakPolarHBondContact O-CA 3.34Å; G102-W130 VanDerWaalsContact CA-CE3 3.48Å; Y128-W130 HydrophobicContact CG-CZ2 4.49Å; W130-R351 HydrophobicContact CE3-CB 4.14Å; W130-R351 HydrophobicContact CE3-CG 4.36Å; W130-R351 HydrophobicContact CH2-CB 4.09Å; W130-R351 HydrophobicContact CH2-CG 3.63Å; W130-R351 HydrophobicContact CZ2-CG 4.35Å; W130-R351 HydrophobicContact CZ3-CB 3.56Å; W130-R351 HydrophobicContact CZ3-CG 3.64Å; W130-I352 WeakPolarHBondContact CZ3-O 3.5Å; W130-L378 HydrophobicContact CH2-CD2 4.02Å; W130-L378 HydrophobicContact CZ2-CD2 3.79Å
131Q98.2Very high95.9Very high36 Ų3641.3 Ų41.317%0.16820%0.197CC..EExtended strand (participates in β ladder)trans-97.5139.2166.5-66.8171.377.600109.1C100 L101 T135 V136C100-Q131 WeakPolarHBondContact CB-O 3.29Å; C100-Q131 PolarHBondContact N-O 3.31Å; L101-Q131 PolarHBondContact N-O 2.95Å; L101-Q131 PolarHBondContact O-N 2.92Å; Q131-T135 HydrophobicContact CB-CG2 4.29Å; Q131-T135 HydrophobicContact CG-CG2 4.35Å; Q131-V136 HydrophobicContact CB-CG2 3.87Å
132S98Very high96.5Very high26 Ų2638.9 Ų38.918%0.18219%0.185CC..EExtended strand (participates in β ladder)trans-76.2164.7174.973.10000111.9K98 D134 T135 V136K98-S132 CarbonylContact O-C 3.53Å; K98-S132 WeakPolarHBondContact O-CA 3.26Å; S132-D134 VanDerWaalsContact C-N 3.26Å; S132-D134 PolarHBondContact O-N 3.12Å; S132-T135 PolarHBondContact O-N 2.85Å; S132-T135 PolarHBondContact OG-N 2.78Å; S132-T135 VanDerWaalsContact OG-N 3.08Å; S132-T135 PolarHBondContact OG-OG1 2.87Å; S132-V136 VanDerWaalsContact O-CG2 3.32Å; S132-V136 WeakPolarHBondContact O-CG2 3.45Å; S132-V136 PolarHBondContact O-N 3.25Å
133Y98Very high97Very high0 Ų037.1 Ų37.10%018%0.178CC..Hα-helixtrans-57.1-40.2172.2-83.2-96.1000112.2F88 V92 Y95 R96 K98 C100 V136 D137 L346 G349F88-Y133 HydrophobicContact CE2-CD1 4.29Å; V92-Y133 HydrophobicContact CG2-CD1 4.39Å; Y95-Y133 WeakPolarHBondContact O-CD2 3.48Å; R96-Y133 PolarHBondContact O-N 2.78Å; K98-Y133 HydrophobicContact CB-CD2 4.29Å; K98-Y133 WeakPolarHBondContact O-CD2 3.09Å; K98-Y133 PolarHBondContact O-N 3.49Å; K98-Y133 VanDerWaalsContact O-N 3.09Å; C100-Y133 HydrophobicContact CB-CD1 4.27Å; C100-Y133 HydrophobicContact CB-CD2 3.57Å; C100-Y133 HydrophobicContact CB-CE1 4.42Å; C100-Y133 HydrophobicContact CB-CE2 3.71Å; C100-Y133 HydrophobicContact CB-CG 3.84Å; Y133-V136 PolarHBondContact O-N 3.48Å; Y133-D137 PolarHBondContact O-N 3.17Å; Y133-L346 HydrophobicContact CE1-CD2 4.26Å; Y133-L346 PolarHBondContact OH-O 2.83Å; Y133-G349 WeakPolarHBondContact OH-CA 3.22Å
134D98.2Very high97.3Very high49 Ų4937 Ų3726%0.26218%0.177SC..Hα-helixtrans-63.3-43.7176.5-17083.8000112R96 S132 D137 R138R96-D134 HydrophobicContact CG-CB 3.79Å; R96-D134 IonicContact CZ-OD1 3.84Å; R96-D134 IonicContact NE-OD1 2.86Å; R96-D134 PolarHBondContact NE-OD1 3.39Å; R96-D134 IonicContact NH2-OD1 2.83Å; R96-D134 PolarHBondContact NH2-OD1 2.96Å; R96-D134 PolarHBondContact O-N 3.05Å; S132-D134 VanDerWaalsContact C-N 3.26Å; S132-D134 PolarHBondContact O-N 3.12Å; D134-D137 PolarHBondContact O-N 3.37Å; D134-R138 PolarHBondContact O-N 3.07Å
135T98.4Very high97.6Very high49 Ų4934.5 Ų34.530%0.30116%0.164SC..Hα-helixtrans-60.7-47.8174.8-51.30000110.6Q131 S132 R138 R139Q131-T135 HydrophobicContact CB-CG2 4.29Å; Q131-T135 HydrophobicContact CG-CG2 4.35Å; S132-T135 PolarHBondContact O-N 2.85Å; S132-T135 PolarHBondContact OG-N 2.78Å; S132-T135 VanDerWaalsContact OG-N 3.08Å; S132-T135 PolarHBondContact OG-OG1 2.87Å; T135-R138 WeakPolarHBondContact O-CB 3.26Å; T135-R138 PolarHBondContact O-N 2.7Å; T135-R139 WeakPolarHBondContact O-CG 3.05Å; T135-R139 PolarHBondContact O-N 2.89Å; T135-R139 VanDerWaalsContact O-N 3.11Å
136V98.6Very high97.9Very high0 Ų034 Ų340%016%0.161CC..Hα-helixtrans-62.4-43.7179.7173.70000111F88 C100 L101 Q131 S132 Y133 R138 R139 V140 I170 L173F88-V136 HydrophobicContact CE2-CG1 4.29Å; F88-V136 HydrophobicContact CZ-CB 4.34Å; F88-V136 HydrophobicContact CZ-CG1 3.67Å; C100-V136 HydrophobicContact CB-CG2 4.03Å; L101-V136 HydrophobicContact CB-CG2 4.43Å; L101-V136 HydrophobicContact CD1-CG1 4.24Å; L101-V136 HydrophobicContact CD1-CG2 4.1Å; L101-V136 HydrophobicContact CG-CG2 4.1Å; Q131-V136 HydrophobicContact CB-CG2 3.87Å; S132-V136 VanDerWaalsContact O-CG2 3.32Å; S132-V136 WeakPolarHBondContact O-CG2 3.45Å; S132-V136 PolarHBondContact O-N 3.25Å; Y133-V136 PolarHBondContact O-N 3.48Å; V136-R138 VanDerWaalsContact C-N 3.35Å; V136-R138 PolarHBondContact O-N 3.17Å; V136-R139 PolarHBondContact O-N 3.08Å; V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CB 3.35Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.16Å; V136-V140 PolarHBondContact O-N 3.5Å; V136-I170 HydrophobicContact CG1-CG1 4.13Å; V136-L173 HydrophobicContact CG1-CD1 4.47Å
137D98.5Very high98.1Very high16 Ų1633.4 Ų33.49%0.08616%0.155CC..Hα-helixtrans-61.7-39.8176.1175.867.3000113.1F88 V92 Y133 D134 R139 V140 R141 K177F88-D137 HydrophobicContact CE1-CB 4.12Å; V92-D137 HydrophobicContact CB-CB 4.48Å; V92-D137 HydrophobicContact CG1-CB 3.87Å; V92-D137 HydrophobicContact CG2-CB 3.79Å; Y133-D137 PolarHBondContact O-N 3.17Å; D134-D137 PolarHBondContact O-N 3.37Å; D137-R139 PolarHBondContact O-N 3.38Å; D137-V140 PolarHBondContact O-N 3.07Å; D137-R141 PolarHBondContact O-N 3.05Å; D137-R141 IonicContact OD1-NE 3.82Å; D137-R141 IonicContact OD2-CZ 2.67Å; D137-R141 VanDerWaalsContact OD2-CZ 3.3Å; D137-R141 IonicContact OD2-NE 2.75Å; D137-R141 PolarHBondContact OD2-NE 3.08Å; D137-R141 IonicContact OD2-NH2 2.8Å; D137-R141 PolarHBondContact OD2-NH2 3.09Å; D137-K177 IonicContact OD1-NZ 3.54Å; D137-K177 PolarHBondContact OD1-NZ 3.2Å; D137-K177 VanDerWaalsContact OD1-NZ 3.09Å
138R98.5Very high98.2Very high81 Ų8129 Ų2931%0.30613%0.132SC..Hα-helixtrans-57.9-49.8173.7-171.8-17367.888.721.1110.9D134 T135 V136 V140 R141 H142 E260 E264D134-R138 PolarHBondContact O-N 3.07Å; T135-R138 WeakPolarHBondContact O-CB 3.26Å; T135-R138 PolarHBondContact O-N 2.7Å; V136-R138 VanDerWaalsContact C-N 3.35Å; V136-R138 PolarHBondContact O-N 3.17Å; R138-V140 PolarHBondContact O-N 3.01Å; R138-R141 PolarHBondContact O-N 2.88Å; R138-H142 WeakPolarHBondContact CG-CE1 3.46Å; R138-H142 WeakPolarHBondContact O-CB 3.07Å; R138-H142 PolarHBondContact O-CD2 3.09Å; R138-H142 VanDerWaalsContact O-CD2 3.23Å; R138-H142 PolarHBondContact O-N 3.16Å; R138-E260 IonicContact CZ-OE1 2.8Å; R138-E260 IonicContact NH1-OE1 3.35Å; R138-E260 IonicContact NH2-OE1 2.92Å; R138-E260 PolarHBondContact NH2-OE1 3.01Å; R138-E264 IonicContact NH1-OE1 3.18Å; R138-E264 IonicContact NH1-OE2 3Å
139R98.6Very high98.2Very high20 Ų2032 Ų328%0.07515%0.146CC..Hα-helixtrans-60.5-45177.6-60.8-171.570.2-156.7-4.7111.7T135 V136 D137 R141 H142 I143 N167 I170 D257 E260T135-R139 WeakPolarHBondContact O-CG 3.05Å; T135-R139 PolarHBondContact O-N 2.89Å; T135-R139 VanDerWaalsContact O-N 3.11Å; V136-R139 PolarHBondContact O-N 3.08Å; D137-R139 PolarHBondContact O-N 3.38Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.67Å; R139-H142 PolarHBondContact O-N 3.48Å; R139-I143 HydrophobicContact CB-CD1 4.32Å; R139-I143 VanDerWaalsContact O-CB 3.3Å; R139-I143 WeakPolarHBondContact O-CB 3.41Å; R139-I143 VanDerWaalsContact O-CG1 3.31Å; R139-I143 WeakPolarHBondContact O-CG1 3.33Å; R139-I143 PolarHBondContact O-N 2.79Å; R139-N167 PolarHBondContact NH1-OD1 3.47Å; R139-N167 PolarHBondContact NH2-OD1 2.7Å; R139-I170 HydrophobicContact CB-CG2 3.81Å; R139-D257 IonicContact NH2-OD1 2.8Å; R139-E260 WeakPolarHBondContact CG-OE1 3.36Å; R139-E260 WeakPolarHBondContact CG-OE2 3.18Å; R139-E260 IonicContact CZ-OE2 3.1Å; R139-E260 IonicContact NE-OE2 3Å; R139-E260 PolarHBondContact NE-OE2 3.06Å; R139-E260 IonicContact NH2-OE2 3.5Å; R139-E260 PolarHBondContact NH2-OE2 3.29Å
140V98.7Very high98.3Very high0 Ų026.6 Ų26.60%012%0.124CC..Hα-helixtrans-55.7-47.3176.51630000111.5F88 V136 D137 R138 G144 I170 L173 A174 K177F88-V140 HydrophobicContact CE1-CG2 4.19Å; V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CB 3.35Å; V136-V140 VanDerWaalsContact O-CG2 3.3Å; V136-V140 WeakPolarHBondContact O-CG2 3.16Å; V136-V140 PolarHBondContact O-N 3.5Å; D137-V140 PolarHBondContact O-N 3.07Å; R138-V140 PolarHBondContact O-N 3.01Å; V140-G144 PolarHBondContact O-N 3.05Å; V140-G144 VanDerWaalsContact O-N 3.15Å; V140-I170 HydrophobicContact CG2-CG2 4.08Å; V140-L173 HydrophobicContact CG1-CB 4.28Å; V140-L173 HydrophobicContact CG2-CB 3.61Å; V140-L173 HydrophobicContact CG2-CD1 4.22Å; V140-A174 HydrophobicContact CG1-CB 4.43Å; V140-A174 VanDerWaalsContact O-CB 3.29Å; V140-A174 WeakPolarHBondContact O-CB 3.34Å; V140-K177 HydrophobicContact CG1-CB 4.43Å; V140-K177 HydrophobicContact CG1-CD 4.19Å
141R98.5Very high98.2Very high62 Ų6224.8 Ų24.823%0.23413%0.13CC..Hα-helixtrans-64.6-45.5177.8-79.4-174.9-76.4100.8-2.3112.3D137 R138 R139 A145 K177 Y178 Y267D137-R141 PolarHBondContact O-N 3.05Å; D137-R141 IonicContact OD1-NE 3.82Å; D137-R141 IonicContact OD2-CZ 2.67Å; D137-R141 VanDerWaalsContact OD2-CZ 3.3Å; D137-R141 IonicContact OD2-NE 2.75Å; D137-R141 PolarHBondContact OD2-NE 3.08Å; D137-R141 IonicContact OD2-NH2 2.8Å; D137-R141 PolarHBondContact OD2-NH2 3.09Å; R138-R141 PolarHBondContact O-N 2.88Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.67Å; R141-A145 WeakPolarHBondContact O-CB 3.37Å; R141-A145 PolarHBondContact O-N 2.7Å; R141-K177 HydrophobicContact CG-CD 4.28Å; R141-Y178 PolarHBondContact O-OH 3.36Å; R141-Y178 VanDerWaalsContact O-OH 3.08Å; R141-Y267 HydrophobicContact CB-CE2 4Å
142H98.8Very high98.2Very high15 Ų1523.1 Ų23.17%0.06912%0.123CC..Hα-helixtrans-71.6-44.5-176-65.4-170.8000111.1R138 R139 G144 A145 G146 E260 G263 E264R138-H142 WeakPolarHBondContact CG-CE1 3.46Å; R138-H142 WeakPolarHBondContact O-CB 3.07Å; R138-H142 PolarHBondContact O-CD2 3.09Å; R138-H142 VanDerWaalsContact O-CD2 3.23Å; R138-H142 PolarHBondContact O-N 3.16Å; R139-H142 PolarHBondContact O-N 3.48Å; H142-G144 VanDerWaalsContact C-N 3.33Å; H142-G144 PolarHBondContact O-N 3.42Å; H142-A145 PolarHBondContact O-N 2.85Å; H142-G146 PolarHBondContact O-N 2.78Å; H142-E260 HydrophobicContact CB-CG 3.72Å; H142-G263 WeakPolarHBondContact O-CA 3.49Å; H142-E264 IonicContact CE1-OE1 2.9Å; H142-E264 IonicContact ND1-OE2 2.78Å
143I98.8Very high98Very high0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-59.7-43.6175.6-71.4163000111.2R139 G146 L147 I170 A174 L256 I259 E260R139-I143 HydrophobicContact CB-CD1 4.32Å; R139-I143 VanDerWaalsContact O-CB 3.3Å; R139-I143 WeakPolarHBondContact O-CB 3.41Å; R139-I143 VanDerWaalsContact O-CG1 3.31Å; R139-I143 WeakPolarHBondContact O-CG1 3.33Å; R139-I143 PolarHBondContact O-N 2.79Å; I143-G146 PolarHBondContact O-N 3.27Å; I143-L147 HydrophobicContact CG2-CD1 4.15Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.3Å; I143-I170 HydrophobicContact CD1-CG2 3.55Å; I143-A174 HydrophobicContact CB-CB 4.13Å; I143-A174 HydrophobicContact CG2-CB 3.86Å; I143-L256 HydrophobicContact CD1-CD1 4.21Å; I143-L256 HydrophobicContact CD1-CD2 4.26Å; I143-L256 HydrophobicContact CD1-CG 4.19Å; I143-L256 HydrophobicContact CG1-CD1 4.27Å; I143-L256 HydrophobicContact CG2-CD1 4.05Å; I143-I259 HydrophobicContact CG2-CG2 4.32Å; I143-E260 HydrophobicContact CG1-CB 3.95Å; I143-E260 HydrophobicContact CG1-CG 4.22Å
144G98.4Very high97.9Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-64-42.9177.800000113.3V140 H142 L147 L148V140-G144 PolarHBondContact O-N 3.05Å; V140-G144 VanDerWaalsContact O-N 3.15Å; H142-G144 VanDerWaalsContact C-N 3.33Å; H142-G144 PolarHBondContact O-N 3.42Å; G144-L147 PolarHBondContact O-N 3.35Å; G144-L148 PolarHBondContact O-N 3.11Å; G144-L148 VanDerWaalsContact O-N 3.16Å
145A98.6Very high97.8Very high1 Ų126.4 Ų26.41%0.00815%0.146CC..Hα-helixtrans-64.1-38.9173.700000112.4R141 H142 L148 H149 Y267R141-A145 WeakPolarHBondContact O-CB 3.37Å; R141-A145 PolarHBondContact O-N 2.7Å; H142-A145 PolarHBondContact O-N 2.85Å; A145-L148 WeakPolarHBondContact O-CB 3.2Å; A145-L148 PolarHBondContact O-N 3.16Å; A145-H149 WeakPolarHBondContact O-CB 3.49Å; A145-H149 PolarHBondContact O-N 2.92Å; A145-Y267 HydrophobicContact CB-CD2 3.84Å; A145-Y267 HydrophobicContact CB-CE2 4.25Å
146G98.6Very high97.7Very high0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-65.2-42177.100000112.4H142 I143 L148 H149 V150 I259 G263H142-G146 PolarHBondContact O-N 2.78Å; I143-G146 PolarHBondContact O-N 3.27Å; G146-L148 VanDerWaalsContact C-N 3.35Å; G146-L148 PolarHBondContact O-N 3.21Å; G146-H149 WeakPolarHBondContact O-CB 3.39Å; G146-H149 PolarHBondContact O-N 3Å; G146-H149 VanDerWaalsContact O-N 3.12Å; G146-V150 WeakPolarHBondContact O-CG2 3.39Å; G146-V150 PolarHBondContact O-N 2.88Å; G146-I259 WeakPolarHBondContact CA-O 3.17Å; G146-G263 VanDerWaalsContact N-CA 3.34Å
147L98.5Very high97.7Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-60.8-41.9174.1-74.3171.2000112I143 G144 H149 V150 G151 H152 L158 F180 V230 I259I143-L147 HydrophobicContact CG2-CD1 4.15Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.3Å; G144-L147 PolarHBondContact O-N 3.35Å; L147-H149 VanDerWaalsContact C-N 3.34Å; L147-V150 WeakPolarHBondContact O-CG2 3.49Å; L147-G151 PolarHBondContact O-N 3.02Å; L147-H152 HydrophobicContact CB-CB 4.31Å; L147-H152 WeakPolarHBondContact O-CB 3.48Å; L147-H152 PolarHBondContact O-N 3.11Å; L147-L158 HydrophobicContact CD1-CD1 4.06Å; L147-L158 HydrophobicContact CD2-CD1 4.13Å; L147-F180 HydrophobicContact CB-CE2 3.84Å; L147-F180 HydrophobicContact CD1-CD2 4.26Å; L147-F180 HydrophobicContact CD1-CE2 4.19Å; L147-V230 HydrophobicContact CD2-CG2 4.17Å; L147-I259 HydrophobicContact CD2-CG2 4.33Å; L147-I259 HydrophobicContact CG-CG2 4.07Å
148L97.7Very high97.6Very high26 Ų2632.6 Ų32.614%0.13616%0.162CC..Hα-helixtrans-60.7-44.7171.4-76.1177000111.8G144 A145 G146 V150 G151 V154 Y178 F180 P271G144-L148 PolarHBondContact O-N 3.11Å; G144-L148 VanDerWaalsContact O-N 3.16Å; A145-L148 WeakPolarHBondContact O-CB 3.2Å; A145-L148 PolarHBondContact O-N 3.16Å; G146-L148 VanDerWaalsContact C-N 3.35Å; G146-L148 PolarHBondContact O-N 3.21Å; L148-V150 PolarHBondContact O-N 3.16Å; L148-G151 WeakPolarHBondContact O-CA 3.45Å; L148-G151 PolarHBondContact O-N 3.4Å; L148-V154 HydrophobicContact CD2-CG2 4.07Å; L148-Y178 HydrophobicContact CD1-CD1 3.53Å; L148-Y178 HydrophobicContact CD1-CE1 3.59Å; L148-Y178 HydrophobicContact CG-CD1 4Å; L148-Y178 HydrophobicContact CG-CE1 4.38Å; L148-F180 HydrophobicContact CD2-CE1 3.96Å; L148-F180 HydrophobicContact CD2-CZ 3.63Å; L148-F180 HydrophobicContact CG-CZ 3.84Å; L148-P271 HydrophobicContact CD1-CG 3.85Å; L148-P271 HydrophobicContact CD2-CG 4.34Å
149H97.7Very high97.6Very high82 Ų8228.8 Ų28.838%0.3815%0.148SC..Hα-helixtrans-61.7-42.7-176.7-178.580.1000112.2A145 G146 L147 G151 H266A145-H149 WeakPolarHBondContact O-CB 3.49Å; A145-H149 PolarHBondContact O-N 2.92Å; G146-H149 WeakPolarHBondContact O-CB 3.39Å; G146-H149 PolarHBondContact O-N 3Å; G146-H149 VanDerWaalsContact O-N 3.12Å; L147-H149 VanDerWaalsContact C-N 3.34Å; H149-G151 PolarHBondContact O-N 2.93Å; H149-G151 VanDerWaalsContact O-N 3.14Å; H149-H266 AromaticContact CE1-CD2 3.66Å; H149-H266 AromaticContact CE1-CE1 3.85Å; H149-H266 AromaticContact CE1-CG 3.37Å; H149-H266 AromaticContact CE1-ND1 3.5Å; H149-H266 AromaticContact CE1-NE2 3.93Å; H149-H266 WeakPolarHBondContact ND1-CB 3.48Å; H149-H266 AromaticContact ND1-CG 3.54Å; H149-H266 AromaticContact ND1-ND1 3.94Å; H149-H266 AromaticContact NE2-ND1 3.71Å
150V97.3Very high97.5Very high14 Ų1427.8 Ų27.89%0.08514%0.144CC..THydrogen-bonded Turntrans-76.69.7174.5-55.50000113.2G146 L147 L148 R228 Y254 I259 L262G146-V150 WeakPolarHBondContact O-CG2 3.39Å; G146-V150 PolarHBondContact O-N 2.88Å; L147-V150 WeakPolarHBondContact O-CG2 3.49Å; L148-V150 PolarHBondContact O-N 3.16Å; V150-R228 WeakPolarHBondContact O-CD 3.48Å; V150-R228 PolarHBondContact O-NE 3.02Å; V150-R228 PolarHBondContact O-NH1 3.45Å; V150-R228 VanDerWaalsContact O-NH1 3.16Å; V150-Y254 HydrophobicContact CB-CE2 4.01Å; V150-Y254 HydrophobicContact CG1-CD1 4.35Å; V150-Y254 HydrophobicContact CG1-CD2 4.46Å; V150-Y254 HydrophobicContact CG1-CE1 3.9Å; V150-Y254 HydrophobicContact CG1-CE2 4Å; V150-Y254 HydrophobicContact CG2-CE2 4.43Å; V150-I259 HydrophobicContact CB-CD1 4.41Å; V150-I259 HydrophobicContact CG1-CD1 3.69Å; V150-I259 HydrophobicContact CG2-CD1 3.86Å; V150-L262 HydrophobicContact CG1-CD1 3.83Å
151G96.1Very high97.3Very high43 Ų4327.8 Ų27.844%0.44314%0.144SC..THydrogen-bonded Turntrans89.417.2169.800000115.6L147 L148 H149 G153 R228L147-G151 PolarHBondContact O-N 3.02Å; L148-G151 WeakPolarHBondContact O-CA 3.45Å; L148-G151 PolarHBondContact O-N 3.4Å; H149-G151 PolarHBondContact O-N 2.93Å; H149-G151 VanDerWaalsContact O-N 3.14Å; G151-G153 PolarHBondContact O-N 2.89Å; G151-R228 PolarHBondContact O-NH2 3.47Å
152H97.1Very high97.2Very high2 Ų225.1 Ų25.11%0.00914%0.135CC..PPolyproline II helixtrans-70.1127.5167.7-165.783000110.2L147 R156 F180 T205L147-H152 HydrophobicContact CB-CB 4.31Å; L147-H152 WeakPolarHBondContact O-CB 3.48Å; L147-H152 PolarHBondContact O-N 3.11Å; H152-R156 PolarHBondContact NE2-O 3.5Å; H152-F180 AromaticContact CD2-CD1 3.56Å; H152-F180 AromaticContact CD2-CD2 3.82Å; H152-F180 AromaticContact CD2-CE1 3.75Å; H152-F180 AromaticContact CD2-CE2 3.99Å; H152-F180 AromaticContact CD2-CG 3.6Å; H152-F180 AromaticContact CD2-CZ 3.94Å; H152-F180 AromaticContact NE2-CD1 3.96Å; H152-F180 AromaticContact NE2-CG 3.83Å; H152-T205 WeakPolarHBondContact ND1-CB 3.46Å; H152-T205 PolarHBondContact ND1-OG1 3.06Å
153G94.6Very high96.8Very high27 Ų2728.2 Ų28.228%0.27815%0.15SC..PPolyproline II helixtrans-85.5147.4-175.300000113.7G151 R156G151-G153 PolarHBondContact O-N 2.89Å; G153-R156 VanDerWaalsContact O-CB 3.25Å; G153-R156 WeakPolarHBondContact O-CB 3.41Å; G153-R156 PolarHBondContact O-N 2.87Å; G153-R156 VanDerWaalsContact O-N 3.1Å
154V96.1Very high96.6Very high36 Ų3628.4 Ų28.422%0.21815%0.151CC..THydrogen-bonded Turntrans-58.2140.7167.9-174.30000109.8L148 R156 K179 F180 P271 E272L148-V154 HydrophobicContact CD2-CG2 4.07Å; V154-R156 PolarHBondContact O-N 3.33Å; V154-R156 VanDerWaalsContact O-N 3.16Å; V154-K179 HydrophobicContact CG1-CB 4.08Å; V154-K179 HydrophobicContact CG1-CD 4.09Å; V154-K179 HydrophobicContact CG1-CG 4.36Å; V154-F180 HydrophobicContact CG2-CE1 4.39Å; V154-P271 HydrophobicContact CG2-CB 4.23Å; V154-P271 HydrophobicContact CG2-CG 3.9Å; V154-E272 HydrophobicContact CG1-CB 4.45Å
155N95.6Very high96.5Very high80 Ų8028.9 Ų28.943%0.42815%0.153SC..THydrogen-bonded Turntrans63.35.9-173.4-58.9-60.3000115.6K179N155-K179 WeakPolarHBondContact CA-O 3.32Å; N155-K179 PolarHBondContact N-O 3.46Å; N155-K179 WeakPolarHBondContact OD1-CE 3.19Å; N155-K179 WeakPolarHBondContact OD1-CG 3.31Å
156R96.8Very high96.5Very high128 Ų12829 Ų2948%0.48315%0.154SC..  trans-84141.6170.2-62-64.3-174.3170.5-0.6109.8H152 G153 V154 P181H152-R156 PolarHBondContact NE2-O 3.5Å; G153-R156 VanDerWaalsContact O-CB 3.25Å; G153-R156 WeakPolarHBondContact O-CB 3.41Å; G153-R156 PolarHBondContact O-N 2.87Å; G153-R156 VanDerWaalsContact O-N 3.1Å; V154-R156 PolarHBondContact O-N 3.33Å; V154-R156 VanDerWaalsContact O-N 3.16Å; R156-P181 WeakPolarHBondContact O-CD 3.19Å
157R97.2Very high96.4Very high67 Ų6730.4 Ų30.425%0.25316%0.162SC..  trans-77.6138.6-179-67.9156.8-169.2153.43109.4P181 V183 T201 I282R157-P181 WeakPolarHBondContact CA-O 3.26Å; R157-P181 HydrophobicContact CG-CB 4.11Å; R157-V183 HydrophobicContact CB-CG2 3.86Å; R157-V183 HydrophobicContact CG-CG2 4.26Å; R157-T201 WeakPolarHBondContact CD-O 3.28Å; R157-T201 PolarHBondContact NH1-O 3.21Å; R157-I282 HydrophobicContact CG-CD1 4.11Å
158L97.7Very high96.4Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-122.5132.1176.7-178.6147.4000108.7L147 I160 P181 V182 V183 T205 I207L147-L158 HydrophobicContact CD1-CD1 4.06Å; L147-L158 HydrophobicContact CD2-CD1 4.13Å; L158-I160 HydrophobicContact CD2-CG1 3.8Å; L158-P181 PolarHBondContact N-O 3.13Å; L158-V182 CarbonylContact O-C 3.52Å; L158-V183 PolarHBondContact O-N 2.76Å; L158-T205 HydrophobicContact CD1-CG2 3.7Å; L158-T205 HydrophobicContact CG-CG2 4.19Å; L158-I207 HydrophobicContact CD1-CD1 3.94Å; L158-I207 HydrophobicContact CD1-CG1 4.21Å; L158-I207 HydrophobicContact CD2-CB 4.33Å; L158-I207 HydrophobicContact CD2-CD1 3.51Å; L158-I207 HydrophobicContact CD2-CG1 3.76Å; L158-I207 HydrophobicContact CG-CD1 4.31Å; L158-I207 HydrophobicContact CG-CG1 4.39Å
159I97.7Very high96.4Very high1 Ų129.7 Ų29.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-89.5135.7177-70.9165.4000110.3F161 V183 I185 I198 T205 I206 I207I159-F161 HydrophobicContact CG2-CB 4.22Å; I159-V183 CarbonylContact C-O 3.48Å; I159-V183 VanDerWaalsContact CA-O 3.29Å; I159-V183 WeakPolarHBondContact CA-O 3.39Å; I159-V183 HydrophobicContact CB-CB 4.49Å; I159-V183 HydrophobicContact CG1-CB 3.65Å; I159-V183 HydrophobicContact CG1-CG1 3.8Å; I159-V183 HydrophobicContact CG1-CG2 4.37Å; I159-I185 HydrophobicContact CG2-CD1 3.78Å; I159-I185 HydrophobicContact CG2-CG1 3.74Å; I159-I198 HydrophobicContact CD1-CB 4.05Å; I159-I198 HydrophobicContact CD1-CG1 3.43Å; I159-I198 VanDerWaalsContact CD1-CG1 3.43Å; I159-T205 PolarHBondContact N-O 3.29Å; I159-I206 HydrophobicContact CB-CB 4.42Å; I159-I206 HydrophobicContact CB-CG1 4.03Å; I159-I206 HydrophobicContact CG2-CD1 3.98Å; I159-I206 HydrophobicContact CG2-CG1 3.81Å; I159-I206 CarbonylContact O-C 3.56Å; I159-I206 WeakPolarHBondContact O-CA 3.39Å; I159-I207 PolarHBondContact O-N 2.74Å
160I97.6Very high96.4Very high0 Ų025.8 Ų25.80%014%0.139CC..EExtended strand (participates in β ladder)trans-109.8114.2161.9-51.9179.3000108.7L158 A162 W168 A171 A172 V182 V183 I185 I207L158-I160 HydrophobicContact CD2-CG1 3.8Å; I160-A162 HydrophobicContact CG2-CB 4.45Å; I160-W168 HydrophobicContact CG2-CD2 4.15Å; I160-W168 HydrophobicContact CG2-CG 3.94Å; I160-W168 HydrophobicContact CG2-CZ2 4.46Å; I160-A171 HydrophobicContact CD1-CB 4.33Å; I160-A172 HydrophobicContact CD1-CB 4.04Å; I160-V182 HydrophobicContact CD1-CG1 3.7Å; I160-V182 HydrophobicContact CG1-CG1 3.94Å; I160-V183 PolarHBondContact N-O 3.39Å; I160-I185 PolarHBondContact O-N 2.97Å; I160-I207 WeakPolarHBondContact CA-O 3.43Å; I160-I207 HydrophobicContact CG1-CB 4.32Å; I160-I207 HydrophobicContact CG2-CG2 4.49Å
161F94.9Very high96.5Very high0 Ų025.1 Ų25.10%014%0.135CC..EExtended strand (participates in β ladder)trans-118.279.3178.9177-126.4000109.4I159 I185 Y186 I194 I206 I207 T208 L212 K215 V216I159-F161 HydrophobicContact CG2-CB 4.22Å; F161-I185 HydrophobicContact CB-CD1 3.86Å; F161-I185 HydrophobicContact CB-CG1 3.89Å; F161-I185 HydrophobicContact CD2-CD1 3.66Å; F161-I185 HydrophobicContact CD2-CG1 3.79Å; F161-I185 HydrophobicContact CE2-CD1 4.46Å; F161-I185 HydrophobicContact CG-CD1 3.92Å; F161-I185 HydrophobicContact CG-CG1 4.21Å; F161-Y186 VanDerWaalsContact CE2-O 3.29Å; F161-Y186 WeakPolarHBondContact CE2-O 3.28Å; F161-I194 HydrophobicContact CE1-CD1 3.96Å; F161-I194 HydrophobicContact CE2-CD1 3.7Å; F161-I194 HydrophobicContact CE2-CG1 4.14Å; F161-I194 HydrophobicContact CZ-CD1 3.35Å; F161-I194 HydrophobicContact CZ-CG1 4.26Å; F161-I206 HydrophobicContact CB-CD1 3.83Å; F161-I206 HydrophobicContact CB-CG1 4.13Å; F161-I206 HydrophobicContact CD1-CD1 4.34Å; F161-I206 HydrophobicContact CG-CD1 4.45Å; F161-I207 PolarHBondContact N-O 2.82Å; F161-T208 WeakPolarHBondContact O-CA 3.19Å; F161-T208 PolarHBondContact O-OG1 2.99Å; F161-L212 HydrophobicContact CD1-CB 4.14Å; F161-L212 HydrophobicContact CD1-CD1 4.15Å; F161-L212 HydrophobicContact CE1-CB 3.73Å; F161-L212 HydrophobicContact CE1-CD1 3.99Å; F161-L212 HydrophobicContact CE1-CD2 4.22Å; F161-L212 HydrophobicContact CE1-CG 4.2Å; F161-L212 HydrophobicContact CG-CD1 4.47Å; F161-L212 HydrophobicContact CZ-CB 4.45Å; F161-L212 HydrophobicContact CZ-CD1 4.17Å; F161-L212 HydrophobicContact CZ-CD2 4.1Å; F161-L212 HydrophobicContact CZ-CG 4.48Å; F161-L212 WeakPolarHBondContact O-CD1 3.2Å; F161-K215 HydrophobicContact CZ-CD 4.29Å; F161-V216 HydrophobicContact CD1-CG2 3.99Å; F161-V216 HydrophobicContact CE1-CG2 4.15Å
162A94.5Very high96.6Very high5 Ų523 Ų234%0.04111%0.114CC..SBendtrans-156158.5-176.900000111.1I160 T209 F232I160-A162 HydrophobicContact CG2-CB 4.45Å; A162-T209 HydrophobicContact CB-CG2 3.84Å; A162-F232 HydrophobicContact CB-CE2 4.44Å; A162-F232 HydrophobicContact CB-CZ 3.92Å
163E92.2Very high96.7Very high81 Ų8123.1 Ų23.138%0.37912%0.115SC..  trans-67.4150166.4-66.2-167.3163.200111Q165 A187E163-Q165 PolarHBondContact O-N 3.33Å; E163-Q165 PolarHBondContact O-NE2 3.48Å; E163-A187 HydrophobicContact CG-CB 4Å
164T94.4Very high96.8Very high4 Ų421.9 Ų21.93%0.02510%0.101CC..SBendtrans-47.6126.7175.2-63.60000112R235 L331 P332 L333 Y354T164-R235 PolarHBondContact O-NE 3.38Å; T164-R235 PolarHBondContact O-NH2 3.39Å; T164-L331 WeakPolarHBondContact CB-O 3.21Å; T164-L331 PolarHBondContact OG1-O 3.17Å; T164-P332 WeakPolarHBondContact OG1-CA 3.49Å; T164-L333 HydrophobicContact CG2-CD1 3.69Å; T164-L333 HydrophobicContact CG2-CG 3.81Å; T164-L333 PolarHBondContact OG1-N 3.2Å; T164-Y354 HydrophobicContact CG2-CD1 3.67Å; T164-Y354 HydrophobicContact CG2-CE1 3.7Å
165Q96Very high97Very high10 Ų1020.1 Ų20.15%0.0479%0.091CC..SBendtrans-169.8173.9171.557.1-162.8-60.900109.9E163 N167 W168 L169 F232 L233 R235E163-Q165 PolarHBondContact O-N 3.33Å; E163-Q165 PolarHBondContact O-NE2 3.48Å; Q165-N167 VanDerWaalsContact C-N 3.33Å; Q165-N167 PolarHBondContact O-N 3.1Å; Q165-W168 HydrophobicContact CG-CB 4.24Å; Q165-W168 WeakPolarHBondContact O-CA 3.31Å; Q165-W168 WeakPolarHBondContact O-CB 3.38Å; Q165-W168 PolarHBondContact O-N 3.16Å; Q165-L169 PolarHBondContact O-N 2.94Å; Q165-F232 VanDerWaalsContact CD-CE2 3.44Å; Q165-F232 HydrophobicContact CG-CE2 3.88Å; Q165-F232 HydrophobicContact CG-CZ 4.47Å; Q165-L233 PolarHBondContact OE1-O 2.94Å; Q165-R235 HydrophobicContact CB-CG 4.28Å
166A97.4Very high97.1Very high2 Ų216.6 Ų16.62%0.0177%0.072CC..Hα-helixtrans-54.1-48.3-178.700000112.4L101 W168 L169 I170 Y354L101-A166 HydrophobicContact CB-CB 4.2Å; L101-A166 HydrophobicContact CD1-CB 4.25Å; A166-W168 PolarHBondContact O-N 3.34Å; A166-L169 PolarHBondContact O-N 3.45Å; A166-L169 VanDerWaalsContact O-N 3.16Å; A166-I170 HydrophobicContact CB-CD1 4.45Å; A166-I170 WeakPolarHBondContact O-CB 3.33Å; A166-I170 WeakPolarHBondContact O-CD1 3.46Å; A166-I170 WeakPolarHBondContact O-CG1 3.11Å; A166-I170 PolarHBondContact O-N 2.73Å; A166-Y354 HydrophobicContact CB-CD2 3.85Å; A166-Y354 HydrophobicContact CB-CE2 3.63Å; A166-Y354 VanDerWaalsContact N-CD2 3.29Å
167N97.3Very high97.1Very high31 Ų3111.2 Ų11.217%0.1665%0.052CC..Hα-helixtrans-63-30.3179.6-74.8-5.7000112.9R139 Q165 A171 F232 L256R139-N167 PolarHBondContact NH1-OD1 3.47Å; R139-N167 PolarHBondContact NH2-OD1 2.7Å; Q165-N167 VanDerWaalsContact C-N 3.33Å; Q165-N167 PolarHBondContact O-N 3.1Å; N167-A171 VanDerWaalsContact O-CB 3.25Å; N167-A171 WeakPolarHBondContact O-CB 3.44Å; N167-A171 PolarHBondContact O-N 2.84Å; N167-F232 HydrophobicContact CB-CD1 4.14Å; N167-F232 HydrophobicContact CB-CD2 3.86Å; N167-F232 HydrophobicContact CB-CE1 4.17Å; N167-F232 HydrophobicContact CB-CE2 3.96Å; N167-F232 HydrophobicContact CB-CG 3.97Å; N167-F232 HydrophobicContact CB-CZ 4.12Å; N167-L256 HydrophobicContact CB-CD2 3.79Å
168W97.7Very high97.2Very high4 Ų48 Ų82%0.0154%0.04CC..Hα-helixtrans-61.6-52.7173-168.1114.1000110.4I160 Q165 A166 A171 A172 T184 M281 L333I160-W168 HydrophobicContact CG2-CD2 4.15Å; I160-W168 HydrophobicContact CG2-CG 3.94Å; I160-W168 HydrophobicContact CG2-CZ2 4.46Å; Q165-W168 HydrophobicContact CG-CB 4.24Å; Q165-W168 WeakPolarHBondContact O-CA 3.31Å; Q165-W168 WeakPolarHBondContact O-CB 3.38Å; Q165-W168 PolarHBondContact O-N 3.16Å; A166-W168 PolarHBondContact O-N 3.34Å; W168-A171 PolarHBondContact O-N 2.75Å; W168-A172 HydrophobicContact CE3-CB 4.07Å; W168-A172 HydrophobicContact CH2-CB 4.48Å; W168-A172 HydrophobicContact CZ3-CB 3.74Å; W168-A172 PolarHBondContact O-N 2.82Å; W168-T184 HydrophobicContact CH2-CG2 3.77Å; W168-T184 HydrophobicContact CZ2-CG2 3.52Å; W168-M281 HydrophobicContact CH2-CE 4.07Å; W168-L333 HydrophobicContact CB-CD1 4.33Å; W168-L333 HydrophobicContact CD2-CB 3.69Å; W168-L333 HydrophobicContact CD2-CD1 3.73Å; W168-L333 HydrophobicContact CD2-CG 4.32Å; W168-L333 HydrophobicContact CE3-CB 3.6Å; W168-L333 HydrophobicContact CE3-CD1 3.29Å; W168-L333 HydrophobicContact CE3-CD2 4.35Å; W168-L333 HydrophobicContact CE3-CG 3.93Å; W168-L333 HydrophobicContact CG-CD1 4.17Å; W168-L333 HydrophobicContact CH2-CB 3.57Å; W168-L333 WeakPolarHBondContact CH2-O 3.4Å; W168-L333 HydrophobicContact CZ2-CB 3.62Å; W168-L333 HydrophobicContact CZ3-CB 3.56Å; W168-L333 HydrophobicContact CZ3-CD1 3.86Å; W168-L333 HydrophobicContact CZ3-CD2 4.07Å; W168-L333 HydrophobicContact CZ3-CG 4.04Å
169L98.1Very high97.1Very high6 Ų68.9 Ų8.93%0.0314%0.043CC..Hα-helixtrans-68.1-39-177.4-171.869.5000111.8L101 Q165 A166 A171 A172 L173 L333 E342 L346 I352 Y354L101-L169 HydrophobicContact CD1-CD2 4.3Å; L101-L169 HydrophobicContact CD2-CD2 3.93Å; Q165-L169 PolarHBondContact O-N 2.94Å; A166-L169 PolarHBondContact O-N 3.45Å; A166-L169 VanDerWaalsContact O-N 3.16Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.26Å; L169-A172 PolarHBondContact O-N 3.44Å; L169-L173 HydrophobicContact CG-CD1 4.19Å; L169-L173 HydrophobicContact CG-CG 4.37Å; L169-L173 WeakPolarHBondContact O-CB 3.46Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.23Å; L169-L173 PolarHBondContact O-N 2.59Å; L169-L333 HydrophobicContact CB-CD1 4.34Å; L169-E342 WeakPolarHBondContact CD2-OE2 3.37Å; L169-L346 HydrophobicContact CD2-CD1 3.8Å; L169-L346 HydrophobicContact CD2-CD2 4.48Å; L169-L346 HydrophobicContact CD2-CG 4.35Å; L169-I352 HydrophobicContact CD2-CD1 4.38Å; L169-Y354 WeakPolarHBondContact CB-OH 3.47Å; L169-Y354 WeakPolarHBondContact CD2-OH 3.22Å
170I98.6Very high97.2Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-61.2-45.3176.8-65.5168.6000110.4L101 V136 R139 V140 I143 A166 L173 A174L101-I170 HydrophobicContact CD1-CD1 4.05Å; L101-I170 HydrophobicContact CD1-CG1 3.72Å; V136-I170 HydrophobicContact CG1-CG1 4.13Å; R139-I170 HydrophobicContact CB-CG2 3.81Å; V140-I170 HydrophobicContact CG2-CG2 4.08Å; I143-I170 HydrophobicContact CD1-CG2 3.55Å; A166-I170 HydrophobicContact CB-CD1 4.45Å; A166-I170 WeakPolarHBondContact O-CB 3.33Å; A166-I170 WeakPolarHBondContact O-CD1 3.46Å; A166-I170 WeakPolarHBondContact O-CG1 3.11Å; A166-I170 PolarHBondContact O-N 2.73Å; I170-L173 PolarHBondContact O-N 3.1Å; I170-A174 PolarHBondContact O-N 3.28Å
171A98.5Very high97.2Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-62.2-43.2175.800000111.9I160 N167 W168 L169 A174 C175 I207I160-A171 HydrophobicContact CD1-CB 4.33Å; N167-A171 VanDerWaalsContact O-CB 3.25Å; N167-A171 WeakPolarHBondContact O-CB 3.44Å; N167-A171 PolarHBondContact O-N 2.84Å; W168-A171 PolarHBondContact O-N 2.75Å; L169-A171 VanDerWaalsContact C-N 3.34Å; L169-A171 PolarHBondContact O-N 3.26Å; A171-A174 WeakPolarHBondContact O-CB 3.23Å; A171-A174 PolarHBondContact O-N 3.32Å; A171-C175 PolarHBondContact O-N 2.87Å; A171-C175 PolarHBondContact O-SG 3.24Å; A171-I207 HydrophobicContact CB-CD1 3.84Å
172A98.5Very high97.3Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-62.5-43.4176.100000112.3I160 W168 L169 A174 C175 F176I160-A172 HydrophobicContact CD1-CB 4.04Å; W168-A172 HydrophobicContact CE3-CB 4.07Å; W168-A172 HydrophobicContact CH2-CB 4.48Å; W168-A172 HydrophobicContact CZ3-CB 3.74Å; W168-A172 PolarHBondContact O-N 2.82Å; L169-A172 PolarHBondContact O-N 3.44Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 2.68Å; A172-C175 WeakPolarHBondContact O-CB 3.33Å; A172-C175 PolarHBondContact O-N 2.97Å; A172-F176 HydrophobicContact CB-CE2 4.15Å; A172-F176 HydrophobicContact CB-CZ 4.2Å; A172-F176 VanDerWaalsContact O-CD2 3.25Å; A172-F176 WeakPolarHBondContact O-CD2 3.35Å; A172-F176 WeakPolarHBondContact O-CG 3.48Å; A172-F176 PolarHBondContact O-N 3.01Å
173L98.5Very high97.5Very high4 Ų49.3 Ų9.32%0.0215%0.046CC..Hα-helixtrans-62.6-38.3175.3-72171.4000112.2I84 F88 V136 V140 L169 I170 F176 K177 L346I84-L173 HydrophobicContact CG2-CD2 4.48Å; F88-L173 HydrophobicContact CB-CD2 4.28Å; F88-L173 HydrophobicContact CD2-CD1 4.07Å; F88-L173 HydrophobicContact CD2-CD2 4.26Å; F88-L173 HydrophobicContact CE1-CD1 4.42Å; F88-L173 HydrophobicContact CE2-CD1 3.92Å; F88-L173 HydrophobicContact CG-CD1 4.41Å; F88-L173 HydrophobicContact CG-CD2 4.12Å; F88-L173 HydrophobicContact CZ-CD1 4.12Å; V136-L173 HydrophobicContact CG1-CD1 4.47Å; V140-L173 HydrophobicContact CG1-CB 4.28Å; V140-L173 HydrophobicContact CG2-CB 3.61Å; V140-L173 HydrophobicContact CG2-CD1 4.22Å; L169-L173 HydrophobicContact CG-CD1 4.19Å; L169-L173 HydrophobicContact CG-CG 4.37Å; L169-L173 WeakPolarHBondContact O-CB 3.46Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.23Å; L169-L173 PolarHBondContact O-N 2.59Å; I170-L173 PolarHBondContact O-N 3.1Å; L173-F176 HydrophobicContact CD2-CD2 4.29Å; L173-F176 PolarHBondContact O-N 3.46Å; L173-K177 WeakPolarHBondContact O-CB 3.23Å; L173-K177 PolarHBondContact O-N 3.02Å; L173-L346 HydrophobicContact CD1-CD1 4.02Å; L173-L346 HydrophobicContact CD2-CD1 4.21Å
174A98.6Very high97.5Very high0 Ų05.6 Ų5.60%03%0.028CC..Hα-helixtrans-61-47.5172.400000110.9V140 I143 I170 A171 A172 F176 K177 Y178V140-A174 HydrophobicContact CG1-CB 4.43Å; V140-A174 VanDerWaalsContact O-CB 3.29Å; V140-A174 WeakPolarHBondContact O-CB 3.34Å; I143-A174 HydrophobicContact CB-CB 4.13Å; I143-A174 HydrophobicContact CG2-CB 3.86Å; I170-A174 PolarHBondContact O-N 3.28Å; A171-A174 WeakPolarHBondContact O-CB 3.23Å; A171-A174 PolarHBondContact O-N 3.32Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 2.68Å; A174-F176 PolarHBondContact O-N 3.17Å; A174-K177 PolarHBondContact O-N 2.77Å; A174-Y178 WeakPolarHBondContact O-CB 3.41Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; A174-Y178 PolarHBondContact O-N 3.04Å
175C98.5Very high97.1Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-59.9-43.5176.8-66.50000112.2A171 A172 K177 Y178 K179 F180 V182A171-C175 PolarHBondContact O-N 2.87Å; A171-C175 PolarHBondContact O-SG 3.24Å; A172-C175 WeakPolarHBondContact O-CB 3.33Å; A172-C175 PolarHBondContact O-N 2.97Å; C175-K177 PolarHBondContact O-N 3.31Å; C175-Y178 PolarHBondContact O-N 3.25Å; C175-K179 PolarHBondContact O-N 3.33Å; C175-F180 HydrophobicContact CB-CB 3.94Å; C175-F180 WeakPolarHBondContact CB-O 3.29Å; C175-F180 PolarHBondContact O-N 3.15Å; C175-V182 HydrophobicContact CB-CG2 3.32Å
176F98.1Very high96.4Very high5 Ų57.5 Ų7.52%0.0224%0.035CC..Hα-helixtrans-61.2-43175.4-61.8-28.5000112.3I84 A172 L173 A174 V182 P274 A280 M281I84-F176 HydrophobicContact CB-CD2 4.25Å; I84-F176 HydrophobicContact CB-CG 4.49Å; I84-F176 HydrophobicContact CD1-CD2 4.26Å; I84-F176 HydrophobicContact CD1-CE2 4.24Å; I84-F176 HydrophobicContact CD1-CG 4.47Å; I84-F176 HydrophobicContact CD1-CZ 4.42Å; I84-F176 HydrophobicContact CG2-CD2 3.63Å; I84-F176 HydrophobicContact CG2-CE2 4.17Å; I84-F176 HydrophobicContact CG2-CG 4.33Å; A172-F176 HydrophobicContact CB-CE2 4.15Å; A172-F176 HydrophobicContact CB-CZ 4.2Å; A172-F176 VanDerWaalsContact O-CD2 3.25Å; A172-F176 WeakPolarHBondContact O-CD2 3.35Å; A172-F176 WeakPolarHBondContact O-CG 3.48Å; A172-F176 PolarHBondContact O-N 3.01Å; L173-F176 HydrophobicContact CD2-CD2 4.29Å; L173-F176 PolarHBondContact O-N 3.46Å; A174-F176 PolarHBondContact O-N 3.17Å; F176-V182 HydrophobicContact CD1-CG2 4.27Å; F176-V182 HydrophobicContact CE1-CB 4.3Å; F176-V182 HydrophobicContact CE1-CG2 3.82Å; F176-V182 HydrophobicContact CZ-CG2 4.5Å; F176-P274 WeakPolarHBondContact O-CG 3.4Å; F176-A280 HydrophobicContact CD1-CB 4.09Å; F176-A280 HydrophobicContact CE1-CB 4.04Å; F176-A280 WeakPolarHBondContact CE1-O 3.36Å; F176-M281 HydrophobicContact CE1-CG 3.58Å; F176-M281 HydrophobicContact CE1-SD 4.25Å; F176-M281 HydrophobicContact CZ-CG 3.72Å; F176-M281 HydrophobicContact CZ-SD 3.74Å
177K97.9Very high95.5Very high15 Ų158 Ų87%0.0654%0.039CC..Hα-helixtrans-69.4-33.6179.4177.9169.7-80.3-168.50112.7D85 D89 D137 V140 R141 L173 A174 C175 P270D85-K177 HydrophobicContact CB-CB 4.03Å; D89-K177 VanDerWaalsContact OD1-CE 3.26Å; D89-K177 WeakPolarHBondContact OD1-CE 3.49Å; D89-K177 IonicContact OD1-NZ 3.67Å; D89-K177 PolarHBondContact OD1-NZ 3.12Å; D89-K177 IonicContact OD2-NZ 3.54Å; D137-K177 IonicContact OD1-NZ 3.54Å; D137-K177 PolarHBondContact OD1-NZ 3.2Å; D137-K177 VanDerWaalsContact OD1-NZ 3.09Å; V140-K177 HydrophobicContact CG1-CB 4.43Å; V140-K177 HydrophobicContact CG1-CD 4.19Å; R141-K177 HydrophobicContact CG-CD 4.28Å; L173-K177 WeakPolarHBondContact O-CB 3.23Å; L173-K177 PolarHBondContact O-N 3.02Å; A174-K177 PolarHBondContact O-N 2.77Å; C175-K177 PolarHBondContact O-N 3.31Å; K177-P270 HydrophobicContact CD-CG 4.39Å; K177-P270 HydrophobicContact CG-CG 3.74Å; K177-P270 WeakPolarHBondContact O-CB 3.48Å; K177-P270 WeakPolarHBondContact O-CG 3.16Å
178Y98Very high94.2Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-98.17.6-177.4-78.4-101.1000114.1R141 L148 A174 C175 F180 Q268 P270R141-Y178 PolarHBondContact O-OH 3.36Å; R141-Y178 VanDerWaalsContact O-OH 3.08Å; L148-Y178 HydrophobicContact CD1-CD1 3.53Å; L148-Y178 HydrophobicContact CD1-CE1 3.59Å; L148-Y178 HydrophobicContact CG-CD1 4Å; L148-Y178 HydrophobicContact CG-CE1 4.38Å; A174-Y178 WeakPolarHBondContact O-CB 3.41Å; A174-Y178 WeakPolarHBondContact O-CD2 3.41Å; A174-Y178 PolarHBondContact O-N 3.04Å; C175-Y178 PolarHBondContact O-N 3.25Å; Y178-F180 HydrophobicContact CD1-CZ 4.47Å; Y178-F180 HydrophobicContact CG-CE2 4.36Å; Y178-F180 HydrophobicContact CG-CZ 4.44Å; Y178-F180 WeakPolarHBondContact O-CD1 3.44Å; Y178-F180 VanDerWaalsContact O-CE1 3.32Å; Y178-F180 WeakPolarHBondContact O-CE1 3.28Å; Y178-Q268 WeakPolarHBondContact CE1-O 3.5Å; Y178-Q268 PolarHBondContact OH-O 3.13Å; Y178-P270 HydrophobicContact CD1-CB 4.27Å; Y178-P270 HydrophobicContact CD1-CG 4.17Å; Y178-P270 HydrophobicContact CD2-CG 4.07Å; Y178-P270 HydrophobicContact CE1-CB 4.39Å; Y178-P270 HydrophobicContact CE1-CG 4Å; Y178-P270 HydrophobicContact CE2-CG 3.89Å; Y178-P270 HydrophobicContact CG-CB 4.48Å; Y178-P270 HydrophobicContact CG-CG 4.22Å
179K97.4Very high92.9Very high18 Ų1811.5 Ų11.58%0.0786%0.061CC..THydrogen-bonded Turntrans59.747.1177.2-163.1-180-178.41730112.2V154 N155 C175 P181 E272 D278V154-K179 HydrophobicContact CG1-CB 4.08Å; V154-K179 HydrophobicContact CG1-CD 4.09Å; V154-K179 HydrophobicContact CG1-CG 4.36Å; N155-K179 WeakPolarHBondContact CA-O 3.32Å; N155-K179 PolarHBondContact N-O 3.46Å; N155-K179 WeakPolarHBondContact OD1-CE 3.19Å; N155-K179 WeakPolarHBondContact OD1-CG 3.31Å; C175-K179 PolarHBondContact O-N 3.33Å; K179-P181 WeakPolarHBondContact O-CD 3.29Å; K179-E272 HydrophobicContact CD-CB 4.14Å; K179-E272 IonicContact NZ-OE2 3.5Å; K179-E272 PolarHBondContact NZ-OE2 3.29Å; K179-D278 WeakPolarHBondContact CE-OD2 3.42Å; K179-D278 IonicContact NZ-OD2 2.73Å; K179-D278 PolarHBondContact NZ-OD2 2.94Å
180F97.8Very high91.5Very high3 Ų313.3 Ų13.31%0.0138%0.08CC..  trans-105104.7169.7-50.9-31.4000108.5L147 L148 H152 V154 C175 Y178 V182L147-F180 HydrophobicContact CB-CE2 3.84Å; L147-F180 HydrophobicContact CD1-CD2 4.26Å; L147-F180 HydrophobicContact CD1-CE2 4.19Å; L148-F180 HydrophobicContact CD2-CE1 3.96Å; L148-F180 HydrophobicContact CD2-CZ 3.63Å; L148-F180 HydrophobicContact CG-CZ 3.84Å; H152-F180 AromaticContact CD2-CD1 3.56Å; H152-F180 AromaticContact CD2-CD2 3.82Å; H152-F180 AromaticContact CD2-CE1 3.75Å; H152-F180 AromaticContact CD2-CE2 3.99Å; H152-F180 AromaticContact CD2-CG 3.6Å; H152-F180 AromaticContact CD2-CZ 3.94Å; H152-F180 AromaticContact NE2-CD1 3.96Å; H152-F180 AromaticContact NE2-CG 3.83Å; V154-F180 HydrophobicContact CG2-CE1 4.39Å; C175-F180 HydrophobicContact CB-CB 3.94Å; C175-F180 WeakPolarHBondContact CB-O 3.29Å; C175-F180 PolarHBondContact O-N 3.15Å; Y178-F180 HydrophobicContact CD1-CZ 4.47Å; Y178-F180 HydrophobicContact CG-CE2 4.36Å; Y178-F180 HydrophobicContact CG-CZ 4.44Å; Y178-F180 WeakPolarHBondContact O-CD1 3.44Å; Y178-F180 VanDerWaalsContact O-CE1 3.32Å; Y178-F180 WeakPolarHBondContact O-CE1 3.28Å; F180-V182 PolarHBondContact O-N 3.07Å; F180-V182 VanDerWaalsContact O-N 3.14Å
181P98Very high90.6Very high13 Ų1316.5 Ų16.58%0.08410%0.095CC..PPolyproline II helixtrans-58120.1177.8-26.734.6000111.5R156 R157 L158 K179 I279R156-P181 WeakPolarHBondContact O-CD 3.19Å; R157-P181 WeakPolarHBondContact CA-O 3.26Å; R157-P181 HydrophobicContact CG-CB 4.11Å; L158-P181 PolarHBondContact N-O 3.13Å; K179-P181 WeakPolarHBondContact O-CD 3.29Å; P181-I279 HydrophobicContact CB-CG2 4.28Å; P181-I279 WeakPolarHBondContact CB-O 3.38Å; P181-I279 WeakPolarHBondContact CG-O 3.09Å
182V98.4Very high89.4Confident0 Ų019 Ų190%012%0.121CC..EExtended strand (participates in β ladder)trans-83.4119.4-176.4178.70000110L158 I160 C175 F176 F180 T184 A280 M281 I282L158-V182 CarbonylContact O-C 3.52Å; I160-V182 HydrophobicContact CD1-CG1 3.7Å; I160-V182 HydrophobicContact CG1-CG1 3.94Å; C175-V182 HydrophobicContact CB-CG2 3.32Å; F176-V182 HydrophobicContact CD1-CG2 4.27Å; F176-V182 HydrophobicContact CE1-CB 4.3Å; F176-V182 HydrophobicContact CE1-CG2 3.82Å; F176-V182 HydrophobicContact CZ-CG2 4.5Å; F180-V182 PolarHBondContact O-N 3.07Å; F180-V182 VanDerWaalsContact O-N 3.14Å; V182-T184 HydrophobicContact CG1-CG2 3.79Å; V182-A280 PolarHBondContact N-O 3.19Å; V182-M281 HydrophobicContact CB-CG 4.3Å; V182-M281 HydrophobicContact CG1-CE 4.37Å; V182-M281 CarbonylContact O-C 3.6Å; V182-M281 WeakPolarHBondContact O-CA 3.31Å; V182-I282 PolarHBondContact O-N 3.14Å
183V97.4Very high88.4Confident0 Ų021.4 Ų21.40%014%0.137CC..EExtended strand (participates in β ladder)trans-93.5122.2169.3-179.30000108.1R157 L158 I159 I160 T201 I282 F284R157-V183 HydrophobicContact CB-CG2 3.86Å; R157-V183 HydrophobicContact CG-CG2 4.26Å; L158-V183 PolarHBondContact O-N 2.76Å; I159-V183 CarbonylContact C-O 3.48Å; I159-V183 VanDerWaalsContact CA-O 3.29Å; I159-V183 WeakPolarHBondContact CA-O 3.39Å; I159-V183 HydrophobicContact CB-CB 4.49Å; I159-V183 HydrophobicContact CG1-CB 3.65Å; I159-V183 HydrophobicContact CG1-CG1 3.8Å; I159-V183 HydrophobicContact CG1-CG2 4.37Å; I160-V183 PolarHBondContact N-O 3.39Å; V183-T201 HydrophobicContact CB-CG2 4.4Å; V183-T201 HydrophobicContact CG1-CG2 3.74Å; V183-T201 HydrophobicContact CG2-CG2 3.75Å; V183-I282 WeakPolarHBondContact CA-O 3.41Å; V183-I282 HydrophobicContact CG2-CB 4.09Å; V183-I282 HydrophobicContact CG2-CD1 4.17Å; V183-I282 HydrophobicContact CG2-CG1 4.4Å; V183-F284 HydrophobicContact CG1-CD2 4.15Å; V183-F284 HydrophobicContact CG1-CE2 3.71Å
184T93.2Very high87.6Confident2 Ų221.2 Ų21.21%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-109133.8178.464.60000111.6W168 V182 M281 I282W168-T184 HydrophobicContact CH2-CG2 3.77Å; W168-T184 HydrophobicContact CZ2-CG2 3.52Å; V182-T184 HydrophobicContact CG1-CG2 3.79Å; T184-M281 HydrophobicContact CG2-CE 3.23Å; T184-I282 PolarHBondContact N-O 3.31Å
185I85.2Confident87Confident2 Ų221.3 Ų21.31%0.0114%0.137CC..  trans-130.8144.7173.750.5167.2000109.9I159 I160 F161 L189 I194 A197 F284I159-I185 HydrophobicContact CG2-CD1 3.78Å; I159-I185 HydrophobicContact CG2-CG1 3.74Å; I160-I185 PolarHBondContact O-N 2.97Å; F161-I185 HydrophobicContact CB-CD1 3.86Å; F161-I185 HydrophobicContact CB-CG1 3.89Å; F161-I185 HydrophobicContact CD2-CD1 3.66Å; F161-I185 HydrophobicContact CD2-CG1 3.79Å; F161-I185 HydrophobicContact CE2-CD1 4.46Å; F161-I185 HydrophobicContact CG-CD1 3.92Å; F161-I185 HydrophobicContact CG-CG1 4.21Å; I185-L189 HydrophobicContact CB-CD1 3.71Å; I185-L189 HydrophobicContact CG2-CD1 4.16Å; I185-I194 HydrophobicContact CD1-CB 4.43Å; I185-I194 HydrophobicContact CD1-CG1 4.33Å; I185-I194 HydrophobicContact CD1-CG2 3.81Å; I185-A197 HydrophobicContact CG2-CB 3.78Å; I185-F284 HydrophobicContact CG2-CD2 3.86Å; I185-F284 HydrophobicContact CG2-CE2 4.46Å
186Y82Confident86.4Confident53 Ų5324.5 Ų24.521%0.20816%0.155CC..  trans-65.4135.1177.4-71.2-92.2000110.9F161 T188 L189 P332 A334 H335 E698F161-Y186 VanDerWaalsContact CE2-O 3.29Å; F161-Y186 WeakPolarHBondContact CE2-O 3.28Å; Y186-T188 PolarHBondContact O-N 3.14Å; Y186-L189 WeakPolarHBondContact O-CB 3.35Å; Y186-L189 PolarHBondContact O-N 3.17Å; Y186-P332 HydrophobicContact CD1-CB 4.11Å; Y186-P332 HydrophobicContact CD1-CG 4.41Å; Y186-P332 HydrophobicContact CE1-CB 3.84Å; Y186-P332 HydrophobicContact CE1-CG 4.11Å; Y186-A334 HydrophobicContact CD1-CB 4.2Å; Y186-A334 HydrophobicContact CD2-CB 4.36Å; Y186-A334 HydrophobicContact CE1-CB 4.34Å; Y186-A334 HydrophobicContact CE2-CB 4.48Å; Y186-A334 HydrophobicContact CG-CB 4.21Å; Y186-H335 WeakPolarHBondContact OH-CB 3.14Å; Y186-H335 PolarHBondContact OH-CD2 3.25Å; Y186-E698 HydrophobicContact CD1-CB 3.94Å; Y186-E698 HydrophobicContact CD1-CG 3.89Å; Y186-E698 HydrophobicContact CE1-CB 4.14Å
187A78.6Confident85.8Confident11 Ų1124.4 Ų24.49%0.09116%0.155CC..THydrogen-bonded Turntrans-54.1-20.4174.300000114.4E163 L212E163-A187 HydrophobicContact CG-CB 4Å; A187-L212 HydrophobicContact CB-CD1 3.82Å
188T69.2Low85.5Confident66 Ų6623.7 Ų23.741%0.40515%0.152SC..THydrogen-bonded Turntrans-103.67-176.864.60000114.5Y186 E698Y186-T188 PolarHBondContact O-N 3.14Å; T188-E698 WeakPolarHBondContact CB-OE1 3.45Å; T188-E698 HydrophobicContact CG2-CG 4.02Å; T188-E698 WeakPolarHBondContact CG2-OE1 3.02Å; T188-E698 WeakPolarHBondContact OG1-CG 3.32Å; T188-E698 PolarHBondContact OG1-OE1 2.87Å
189L70.4Confident85.2Confident44 Ų4425.9 Ų25.923%0.2316%0.163CC..  trans-59.1146167.2-78.6156.3000110.3I185 Y186 I194I185-L189 HydrophobicContact CB-CD1 3.71Å; I185-L189 HydrophobicContact CG2-CD1 4.16Å; Y186-L189 WeakPolarHBondContact O-CB 3.35Å; Y186-L189 PolarHBondContact O-N 3.17Å; L189-I194 HydrophobicContact CB-CG1 3.94Å
190G68.7Low84.9Confident43 Ų4327.2 Ų27.244%0.44317%0.17SC..  trans-74.4153.1170.900000110.8G192 S193 I194G190-G192 VanDerWaalsContact C-N 3.35Å; G190-G192 PolarHBondContact O-N 3.32Å; G190-S193 WeakPolarHBondContact O-CB 3.36Å; G190-S193 PolarHBondContact O-N 3.27Å; G190-I194 PolarHBondContact O-N 3.17Å
191E79.2Confident84.7Confident68 Ų6827.1 Ų27.132%0.31817%0.169SC..Hα-helixtrans-40.7-54.5-179.5-79.3129.6-131.200113.8S193 I194 A195 E218 I219E191-S193 VanDerWaalsContact C-N 3.26Å; E191-S193 PolarHBondContact O-N 2.82Å; E191-I194 WeakPolarHBondContact O-CA 3.36Å; E191-I194 WeakPolarHBondContact O-CB 3.27Å; E191-I194 PolarHBondContact O-N 3.44Å; E191-A195 PolarHBondContact O-N 3.49Å; E191-E218 HydrophobicContact CG-CB 4.46Å; E191-E218 HydrophobicContact CG-CG 4.39Å; E191-I219 HydrophobicContact CB-CG2 3.39Å; E191-I219 HydrophobicContact CG-CG2 3.72Å
192G74.4Confident84.6Confident52 Ų5231.2 Ų31.254%0.53619%0.187SC..Hα-helixtrans-61.6-29.9-17800000114.5G190 N196G190-G192 VanDerWaalsContact C-N 3.35Å; G190-G192 PolarHBondContact O-N 3.32Å; G192-N196 WeakPolarHBondContact O-CB 3.47Å; G192-N196 PolarHBondContact O-N 3.09Å; G192-N196 VanDerWaalsContact O-N 3.1Å
193S76.6Confident84.5Confident50 Ų5031.3 Ų31.335%0.3519%0.188SC..Hα-helixtrans-75.3-32.1174.5-60.20000112.2G190 E191 A197G190-S193 WeakPolarHBondContact O-CB 3.36Å; G190-S193 PolarHBondContact O-N 3.27Å; E191-S193 VanDerWaalsContact C-N 3.26Å; E191-S193 PolarHBondContact O-N 2.82Å; S193-A197 WeakPolarHBondContact O-CB 3.47Å; S193-A197 PolarHBondContact O-N 3.28Å
194I82.2Confident84.4Confident0 Ų032.8 Ų32.80%020%0.195CC..Hα-helixtrans-68.8-47.9175.7-58.2164.9000109.2F161 I185 L189 G190 E191 N196 A197 I198 I219F161-I194 HydrophobicContact CE1-CD1 3.96Å; F161-I194 HydrophobicContact CE2-CD1 3.7Å; F161-I194 HydrophobicContact CE2-CG1 4.14Å; F161-I194 HydrophobicContact CZ-CD1 3.35Å; F161-I194 HydrophobicContact CZ-CG1 4.26Å; I185-I194 HydrophobicContact CD1-CB 4.43Å; I185-I194 HydrophobicContact CD1-CG1 4.33Å; I185-I194 HydrophobicContact CD1-CG2 3.81Å; L189-I194 HydrophobicContact CB-CG1 3.94Å; G190-I194 PolarHBondContact O-N 3.17Å; E191-I194 WeakPolarHBondContact O-CA 3.36Å; E191-I194 WeakPolarHBondContact O-CB 3.27Å; E191-I194 PolarHBondContact O-N 3.44Å; I194-N196 VanDerWaalsContact C-N 3.31Å; I194-N196 PolarHBondContact O-N 2.65Å; I194-A197 PolarHBondContact O-N 3.14Å; I194-A197 VanDerWaalsContact O-N 3.13Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 WeakPolarHBondContact O-CG1 3.2Å; I194-I198 PolarHBondContact O-N 3.35Å; I194-I219 HydrophobicContact CB-CD1 3.6Å; I194-I219 HydrophobicContact CG2-CD1 3.31Å
195A86.7Confident84.6Confident2 Ų232.7 Ų32.72%0.01719%0.194CC..Hα-helixtrans-58.3-43.8176.900000111.5E191 I198 N199 I219 E222E191-A195 PolarHBondContact O-N 3.49Å; A195-I198 PolarHBondContact O-N 3.07Å; A195-N199 WeakPolarHBondContact O-CB 3.43Å; A195-N199 PolarHBondContact O-N 3.39Å; A195-N199 PolarHBondContact O-ND2 2.83Å; A195-N199 VanDerWaalsContact O-ND2 3.17Å; A195-I219 HydrophobicContact CB-CB 4.18Å; A195-I219 HydrophobicContact CB-CD1 4.34Å; A195-I219 HydrophobicContact CB-CG2 4.41Å; A195-E222 HydrophobicContact CB-CB 4.33Å
196N84.6Confident85.2Confident68 Ų6832.6 Ų32.636%0.36419%0.194SC..Hα-helixtrans-61-45.5175-172.952000112G192 I194 I198 N199 E200G192-N196 WeakPolarHBondContact O-CB 3.47Å; G192-N196 PolarHBondContact O-N 3.09Å; G192-N196 VanDerWaalsContact O-N 3.1Å; I194-N196 VanDerWaalsContact C-N 3.31Å; I194-N196 PolarHBondContact O-N 2.65Å; N196-I198 PolarHBondContact O-N 3.35Å; N196-N199 PolarHBondContact O-N 2.7Å; N196-E200 PolarHBondContact ND2-OE2 2.66Å; N196-E200 WeakPolarHBondContact O-CB 3.47Å; N196-E200 PolarHBondContact O-N 2.68Å
197A85.8Confident86Confident3 Ų330.1 Ų30.13%0.02518%0.184CC..Hα-helixtrans-62.3-41.2178.600000112.4I185 S193 I194 T201 F284I185-A197 HydrophobicContact CG2-CB 3.78Å; S193-A197 WeakPolarHBondContact O-CB 3.47Å; S193-A197 PolarHBondContact O-N 3.28Å; I194-A197 PolarHBondContact O-N 3.14Å; I194-A197 VanDerWaalsContact O-N 3.13Å; A197-T201 WeakPolarHBondContact O-CB 3.3Å; A197-T201 VanDerWaalsContact O-CG2 3.28Å; A197-T201 WeakPolarHBondContact O-CG2 3.35Å; A197-T201 PolarHBondContact O-N 3.02Å; A197-T201 VanDerWaalsContact O-N 3.14Å; A197-T201 PolarHBondContact O-OG1 2.87Å; A197-F284 HydrophobicContact CB-CD2 4.27Å; A197-F284 HydrophobicContact CB-CE2 3.79Å; A197-F284 HydrophobicContact CB-CZ 4.02Å
198I91.5Very high86.8Confident0 Ų029.6 Ų29.60%018%0.18CC..Hα-helixtrans-61.3-49176.6-67.4164.1000110.7I159 I194 A195 N196 T201 E202 S203 I206 I219 C223 L226I159-I198 HydrophobicContact CD1-CB 4.05Å; I159-I198 HydrophobicContact CD1-CG1 3.43Å; I159-I198 VanDerWaalsContact CD1-CG1 3.43Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 WeakPolarHBondContact O-CG1 3.2Å; I194-I198 PolarHBondContact O-N 3.35Å; A195-I198 PolarHBondContact O-N 3.07Å; N196-I198 PolarHBondContact O-N 3.35Å; I198-T201 PolarHBondContact O-OG1 3.42Å; I198-E202 PolarHBondContact O-N 3.33Å; I198-E202 VanDerWaalsContact O-N 3.08Å; I198-S203 PolarHBondContact O-N 3.04Å; I198-I206 HydrophobicContact CD1-CD1 4.34Å; I198-I219 HydrophobicContact CD1-CD1 4.12Å; I198-C223 HydrophobicContact CD1-CB 4.45Å; I198-C223 WeakPolarHBondContact CD1-SG 3.32Å; I198-C223 HydrophobicContact CG2-CB 3.85Å; I198-L226 HydrophobicContact CG2-CB 4.35Å
199N92.4Very high88Confident45 Ų4526.5 Ų26.524%0.24116%0.161CC..Hα-helixtrans-69.7-45.3-177.8-73.2-39.8000112.6A195 N196 T201 E202 E222 K224A195-N199 WeakPolarHBondContact O-CB 3.43Å; A195-N199 PolarHBondContact O-N 3.39Å; A195-N199 PolarHBondContact O-ND2 2.83Å; A195-N199 VanDerWaalsContact O-ND2 3.17Å; N196-N199 PolarHBondContact O-N 2.7Å; N199-T201 PolarHBondContact O-N 2.83Å; N199-E202 PolarHBondContact O-N 3.45Å; N199-E202 VanDerWaalsContact O-N 3.09Å; N199-E222 PolarHBondContact ND2-O 2.86Å; N199-E222 PolarHBondContact OD1-O 3.46Å; N199-K224 PolarHBondContact OD1-N 3.19Å; N199-K224 VanDerWaalsContact OD1-N 3.07Å
200E91.3Very high89.1Confident46 Ų4624.7 Ų24.722%0.21515%0.151CC..Hα-helixtrans-63.6-32.1-179.5-173.3179165.200112.2N196 L543 N544N196-E200 PolarHBondContact ND2-OE2 2.66Å; N196-E200 WeakPolarHBondContact O-CB 3.47Å; N196-E200 PolarHBondContact O-N 2.68Å; E200-L543 HydrophobicContact CG-CD2 4.33Å; E200-N544 PolarHBondContact O-ND2 2.76Å
201T93.8Very high90.1Very high1 Ų126.7 Ų26.71%0.00615%0.152CC..Hα-helixtrans-88.9-8.5177.261.60000113.4R157 V183 A197 I198 N199 S203 F284 L543R157-T201 WeakPolarHBondContact CD-O 3.28Å; R157-T201 PolarHBondContact NH1-O 3.21Å; V183-T201 HydrophobicContact CB-CG2 4.4Å; V183-T201 HydrophobicContact CG1-CG2 3.74Å; V183-T201 HydrophobicContact CG2-CG2 3.75Å; A197-T201 WeakPolarHBondContact O-CB 3.3Å; A197-T201 VanDerWaalsContact O-CG2 3.28Å; A197-T201 WeakPolarHBondContact O-CG2 3.35Å; A197-T201 PolarHBondContact O-N 3.02Å; A197-T201 VanDerWaalsContact O-N 3.14Å; A197-T201 PolarHBondContact O-OG1 2.87Å; I198-T201 PolarHBondContact O-OG1 3.42Å; N199-T201 PolarHBondContact O-N 2.83Å; T201-S203 WeakPolarHBondContact CB-OG 3.23Å; T201-S203 PolarHBondContact O-N 3.06Å; T201-S203 WeakPolarHBondContact OG1-CB 3.24Å; T201-S203 PolarHBondContact OG1-OG 2.8Å; T201-F284 HydrophobicContact CG2-CE2 3.84Å; T201-F284 HydrophobicContact CG2-CZ 3.89Å; T201-L543 HydrophobicContact CG2-CD2 3.66Å
202E95.4Very high90.7Very high100 Ų10024.1 Ų24.147%0.46714%0.14SC..THydrogen-bonded Turntrans52.135.8-173.7-54.9177176.600112.1I198 N199I198-E202 PolarHBondContact O-N 3.33Å; I198-E202 VanDerWaalsContact O-N 3.08Å; N199-E202 PolarHBondContact O-N 3.45Å; N199-E202 VanDerWaalsContact O-N 3.09Å
203S95.5Very high91.6Very high1 Ų121.6 Ų21.61%0.00711%0.114CC..  trans-77.3127.7-174-66.60000110.9I198 T201I198-S203 PolarHBondContact O-N 3.04Å; T201-S203 WeakPolarHBondContact CB-OG 3.23Å; T201-S203 PolarHBondContact O-N 3.06Å; T201-S203 WeakPolarHBondContact OG1-CB 3.24Å; T201-S203 PolarHBondContact OG1-OG 2.8Å
204E95.8Very high92.3Very high32 Ų3222.1 Ų22.115%0.1512%0.116CC..  trans-92.1-15.2-179.2-55.9-169.7154.900113.5H225 K227 R228E204-H225 VanDerWaalsContact CA-O 3.29Å; E204-H225 WeakPolarHBondContact CA-O 3.17Å; E204-K227 HydrophobicContact CB-CD 4.3Å; E204-K227 HydrophobicContact CG-CD 4.43Å; E204-K227 PolarHBondContact O-N 3.31Å; E204-K227 IonicContact OE1-NZ 2.8Å; E204-K227 PolarHBondContact OE1-NZ 3.18Å; E204-K227 IonicContact OE2-NZ 2.86Å; E204-K227 PolarHBondContact OE2-NZ 2.84Å; E204-R228 PolarHBondContact O-N 3.05Å; E204-R228 IonicContact OE2-NH2 3.3Å
205T97.9Very high92.7Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-132.5132.3-175.6-540000109.8H152 L158 I159 R228 V230H152-T205 WeakPolarHBondContact ND1-CB 3.46Å; H152-T205 PolarHBondContact ND1-OG1 3.06Å; L158-T205 HydrophobicContact CD1-CG2 3.7Å; L158-T205 HydrophobicContact CG-CG2 4.19Å; I159-T205 PolarHBondContact N-O 3.29Å; T205-R228 WeakPolarHBondContact CA-O 3.31Å; T205-R228 HydrophobicContact CG2-CB 4.01Å; T205-R228 PolarHBondContact OG1-NE 3.4Å; T205-V230 HydrophobicContact CG2-CG2 4.28Å
206I97.5Very high92.9Very high0 Ų025 Ų250%013%0.129CC..EExtended strand (participates in β ladder)trans-117.8131.8170.1-167.7165.9000109.6I159 F161 I198 V216 L226 R228 I229 V230I159-I206 HydrophobicContact CB-CB 4.42Å; I159-I206 HydrophobicContact CB-CG1 4.03Å; I159-I206 HydrophobicContact CG2-CD1 3.98Å; I159-I206 HydrophobicContact CG2-CG1 3.81Å; I159-I206 CarbonylContact O-C 3.56Å; I159-I206 WeakPolarHBondContact O-CA 3.39Å; F161-I206 HydrophobicContact CB-CD1 3.83Å; F161-I206 HydrophobicContact CB-CG1 4.13Å; F161-I206 HydrophobicContact CD1-CD1 4.34Å; F161-I206 HydrophobicContact CG-CD1 4.45Å; I198-I206 HydrophobicContact CD1-CD1 4.34Å; I206-V216 HydrophobicContact CD1-CG2 4.11Å; I206-V216 HydrophobicContact CG2-CG1 4.38Å; I206-L226 HydrophobicContact CB-CD1 4.06Å; I206-L226 HydrophobicContact CG2-CD1 3.78Å; I206-L226 HydrophobicContact CG2-CD2 4.46Å; I206-R228 PolarHBondContact N-O 2.87Å; I206-I229 HydrophobicContact CG2-CB 4.17Å; I206-I229 HydrophobicContact CG2-CG1 3.77Å; I206-I229 HydrophobicContact CG2-CG2 4.12Å; I206-I229 WeakPolarHBondContact O-CA 3.44Å; I206-V230 PolarHBondContact O-N 3.04Å
207I98.1Very high93.3Very high0 Ų024.8 Ų24.80%012%0.124CC..EExtended strand (participates in β ladder)trans-100.4122.2167.6-64.9176.7000107.5L158 I159 I160 F161 A171 V230 F232L158-I207 HydrophobicContact CD1-CD1 3.94Å; L158-I207 HydrophobicContact CD1-CG1 4.21Å; L158-I207 HydrophobicContact CD2-CB 4.33Å; L158-I207 HydrophobicContact CD2-CD1 3.51Å; L158-I207 HydrophobicContact CD2-CG1 3.76Å; L158-I207 HydrophobicContact CG-CD1 4.31Å; L158-I207 HydrophobicContact CG-CG1 4.39Å; I159-I207 PolarHBondContact O-N 2.74Å; I160-I207 WeakPolarHBondContact CA-O 3.43Å; I160-I207 HydrophobicContact CG1-CB 4.32Å; I160-I207 HydrophobicContact CG2-CG2 4.49Å; F161-I207 PolarHBondContact N-O 2.82Å; A171-I207 HydrophobicContact CB-CD1 3.84Å; I207-V230 CarbonylContact C-O 3.54Å; I207-V230 VanDerWaalsContact CA-O 3.23Å; I207-V230 WeakPolarHBondContact CA-O 3.41Å; I207-V230 HydrophobicContact CG1-CB 3.97Å; I207-V230 HydrophobicContact CG1-CG1 4.34Å; I207-F232 HydrophobicContact CG2-CD1 4.02Å; I207-F232 HydrophobicContact CG2-CE1 3.45Å; I207-F232 VanDerWaalsContact CG2-CE1 3.45Å; I207-F232 HydrophobicContact CG2-CZ 4.5Å
208T96.6Very high93.6Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-139.5176.8-174.9-169.10000112.7F161 L212 I213 I229 V230 Y231 F232F161-T208 WeakPolarHBondContact O-CA 3.19Å; F161-T208 PolarHBondContact O-OG1 2.99Å; T208-L212 WeakPolarHBondContact OG1-CB 3.5Å; T208-I213 HydrophobicContact CG2-CG1 3.84Å; T208-I229 HydrophobicContact CG2-CG2 3.89Å; T208-V230 PolarHBondContact N-O 2.76Å; T208-Y231 VanDerWaalsContact O-CA 3.23Å; T208-Y231 WeakPolarHBondContact O-CA 3.4Å; T208-F232 PolarHBondContact O-N 2.91Å; T208-F232 VanDerWaalsContact O-N 3.11Å
209T94.5Very high93.5Very high2 Ų230.7 Ų30.71%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-101.5154.9170.749.50000111.9A162 D211 L212 I213 F232A162-T209 HydrophobicContact CB-CG2 3.84Å; T209-D211 WeakPolarHBondContact CB-OD1 3.3Å; T209-D211 PolarHBondContact O-N 3.33Å; T209-D211 VanDerWaalsContact O-N 3.11Å; T209-D211 PolarHBondContact OG1-OD1 2.96Å; T209-L212 PolarHBondContact O-N 3.04Å; T209-L212 WeakPolarHBondContact OG1-CD1 3.18Å; T209-L212 WeakPolarHBondContact OG1-CG 3.32Å; T209-I213 PolarHBondContact O-N 3.38Å; T209-F232 VanDerWaalsContact CA-O 3.31Å; T209-F232 WeakPolarHBondContact CA-O 3.46Å; T209-F232 HydrophobicContact CG2-CD2 3.79Å; T209-F232 HydrophobicContact CG2-CE2 3.35Å; T209-F232 HydrophobicContact CG2-CZ 4.05Å
210H92.7Very high93.5Very high6 Ų629.6 Ų29.63%0.02815%0.147CC..THydrogen-bonded Turntrans-51.8-36.1-178.2-165.1-54000114.2L212 F232 P234 R240 L242 E246H210-L212 VanDerWaalsContact C-N 3.31Å; H210-F232 PolarHBondContact N-O 2.72Å; H210-P234 HydrophobicContact CB-CG 4.18Å; H210-R240 PolarHBondContact CE1-NH1 2.61Å; H210-R240 PolarHBondContact CE1-NH2 3.4Å; H210-R240 PolarHBondContact ND1-NH2 3.45Å; H210-L242 WeakPolarHBondContact NE2-CD2 3.36Å; H210-E246 VanDerWaalsContact CE1-CD 3.49Å; H210-E246 IonicContact CE1-OE1 2.81Å; H210-E246 PolarHBondContact CE1-OE1 3.18Å; H210-E246 IonicContact CE1-OE2 2.84Å; H210-E246 PolarHBondContact CE1-OE2 2.89Å; H210-E246 IonicContact ND1-OE1 2.65Å; H210-E246 PolarHBondContact ND1-OE1 2.68Å
211D89.5Confident93.4Very high84 Ų8432.2 Ų32.245%0.44917%0.171SC..THydrogen-bonded Turntrans-76.2-15.8179.462.6-34.6000114T209 P234T209-D211 WeakPolarHBondContact CB-OD1 3.3Å; T209-D211 PolarHBondContact O-N 3.33Å; T209-D211 VanDerWaalsContact O-N 3.11Å; T209-D211 PolarHBondContact OG1-OD1 2.96Å; D211-P234 HydrophobicContact CB-CG 3.95Å; D211-P234 VanDerWaalsContact OD1-CG 3.28Å; D211-P234 WeakPolarHBondContact OD1-CG 3.23Å
212L91.8Very high93.3Very high14 Ų1437.5 Ų37.57%0.07320%0.195CC..THydrogen-bonded Turntrans-99.6-11.7179.7-67179.2000113.3F161 A187 T208 T209 H210 P214 K215 V216F161-L212 HydrophobicContact CD1-CB 4.14Å; F161-L212 HydrophobicContact CD1-CD1 4.15Å; F161-L212 HydrophobicContact CE1-CB 3.73Å; F161-L212 HydrophobicContact CE1-CD1 3.99Å; F161-L212 HydrophobicContact CE1-CD2 4.22Å; F161-L212 HydrophobicContact CE1-CG 4.2Å; F161-L212 HydrophobicContact CG-CD1 4.47Å; F161-L212 HydrophobicContact CZ-CB 4.45Å; F161-L212 HydrophobicContact CZ-CD1 4.17Å; F161-L212 HydrophobicContact CZ-CD2 4.1Å; F161-L212 HydrophobicContact CZ-CG 4.48Å; F161-L212 WeakPolarHBondContact O-CD1 3.2Å; A187-L212 HydrophobicContact CB-CD1 3.82Å; T208-L212 WeakPolarHBondContact OG1-CB 3.5Å; T209-L212 PolarHBondContact O-N 3.04Å; T209-L212 WeakPolarHBondContact OG1-CD1 3.18Å; T209-L212 WeakPolarHBondContact OG1-CG 3.32Å; H210-L212 VanDerWaalsContact C-N 3.31Å; L212-P214 VanDerWaalsContact C-CD 3.49Å; L212-K215 HydrophobicContact CD2-CD 4.44Å; L212-K215 WeakPolarHBondContact O-CB 3.37Å; L212-K215 PolarHBondContact O-N 2.96Å; L212-K215 VanDerWaalsContact O-N 3.17Å; L212-V216 PolarHBondContact O-N 2.88Å
213I93.9Very high93.1Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-54.8-42.9176.2-67.3170.6000112.8T208 T209 K215 V216 K217 Y231 L242 E246 V248 M253T208-I213 HydrophobicContact CG2-CG1 3.84Å; T209-I213 PolarHBondContact O-N 3.38Å; I213-K215 PolarHBondContact O-N 2.68Å; I213-V216 PolarHBondContact O-N 2.78Å; I213-K217 PolarHBondContact O-N 2.84Å; I213-Y231 HydrophobicContact CD1-CD1 4.26Å; I213-Y231 HydrophobicContact CD1-CD2 4.21Å; I213-Y231 HydrophobicContact CD1-CG 3.82Å; I213-L242 HydrophobicContact CD1-CD2 3.46Å; I213-L242 VanDerWaalsContact CD1-CD2 3.46Å; I213-E246 HydrophobicContact CG2-CB 4.23Å; I213-E246 WeakPolarHBondContact CG2-O 3.27Å; I213-V248 HydrophobicContact CG2-CG2 4.43Å; I213-M253 HydrophobicContact CD1-CE 4.09Å; I213-M253 HydrophobicContact CG2-CE 4.1Å
214P91.5Very high92.8Very high60 Ų6041.5 Ų41.539%0.3921%0.212SC..Hα-helixtrans-55-38.7177.6-28.436.4000113.7L212 K217 E218 E246L212-P214 VanDerWaalsContact C-CD 3.49Å; P214-K217 WeakPolarHBondContact O-CB 3.32Å; P214-K217 PolarHBondContact O-N 2.98Å; P214-E218 PolarHBondContact O-N 3.05Å; P214-E246 HydrophobicContact CG-CG 4.34Å
215K89.4Confident92.6Very high63 Ų6343.1 Ų43.127%0.27422%0.22SC..Hα-helixtrans-66.7-39.2175.6-70.9-174.6172.6-174.20112.4F161 L212 I213 K217 E218 I219F161-K215 HydrophobicContact CZ-CD 4.29Å; L212-K215 HydrophobicContact CD2-CD 4.44Å; L212-K215 WeakPolarHBondContact O-CB 3.37Å; L212-K215 PolarHBondContact O-N 2.96Å; L212-K215 VanDerWaalsContact O-N 3.17Å; I213-K215 PolarHBondContact O-N 2.68Å; K215-K217 VanDerWaalsContact C-N 3.32Å; K215-E218 PolarHBondContact O-N 3.33Å; K215-I219 WeakPolarHBondContact O-CG1 3.37Å; K215-I219 PolarHBondContact O-N 2.89Å
216V92.6Very high92.5Very high0 Ų043.9 Ų43.90%022%0.224CC..Hα-helixtrans-66.4-38.9176.6-179.70000110.4F161 I206 L212 I213 I219 S220 L226 I229F161-V216 HydrophobicContact CD1-CG2 3.99Å; F161-V216 HydrophobicContact CE1-CG2 4.15Å; I206-V216 HydrophobicContact CD1-CG2 4.11Å; I206-V216 HydrophobicContact CG2-CG1 4.38Å; L212-V216 PolarHBondContact O-N 2.88Å; I213-V216 PolarHBondContact O-N 2.78Å; V216-I219 VanDerWaalsContact O-CG1 3.28Å; V216-I219 WeakPolarHBondContact O-CG1 3.46Å; V216-I219 PolarHBondContact O-N 2.86Å; V216-S220 WeakPolarHBondContact O-CB 3.45Å; V216-S220 PolarHBondContact O-N 3.49Å; V216-L226 HydrophobicContact CG1-CD2 4.07Å; V216-I229 HydrophobicContact CG1-CD1 3.83Å; V216-I229 HydrophobicContact CG1-CG1 4.44Å
217K92.9Very high92.4Very high63 Ų6348.6 Ų48.627%0.27424%0.244SC..Hα-helixtrans-62.3-41.8175.9-175169.6177.81630112.2I213 P214 K215 I219 S220 A245 I247 V248I213-K217 PolarHBondContact O-N 2.84Å; P214-K217 WeakPolarHBondContact O-CB 3.32Å; P214-K217 PolarHBondContact O-N 2.98Å; K215-K217 VanDerWaalsContact C-N 3.32Å; K217-I219 PolarHBondContact O-N 3.38Å; K217-S220 PolarHBondContact O-N 2.81Å; K217-S220 PolarHBondContact O-OG 2.85Å; K217-S220 VanDerWaalsContact O-OG 3.13Å; K217-A245 WeakPolarHBondContact CD-O 3.5Å; K217-A245 WeakPolarHBondContact CE-O 3.46Å; K217-A245 PolarHBondContact NZ-O 3.22Å; K217-I247 VanDerWaalsContact CE-O 3.29Å; K217-I247 WeakPolarHBondContact CE-O 3.39Å; K217-I247 PolarHBondContact NZ-O 3.02Å; K217-V248 HydrophobicContact CB-CG2 3.78Å; K217-V248 HydrophobicContact CD-CG2 4.45Å; K217-V248 HydrophobicContact CG-CG2 4.06Å
218E91.1Very high92.4Very high124 Ų12449.4 Ų49.458%0.57925%0.247SC*.Hα-helixtrans-61.2-32-179.8-173.4159.5-163.400112.7E191 P214 K215E191-E218 HydrophobicContact CG-CB 4.46Å; E191-E218 HydrophobicContact CG-CG 4.39Å; P214-E218 PolarHBondContact O-N 3.05Å; K215-E218 PolarHBondContact O-N 3.33Å
219I90.5Very high92.4Very high3 Ų349.4 Ų49.42%0.01525%0.247CC..Hα-helixtrans-102.5-1-179.764.9179.6000114.6E191 I194 A195 I198 K215 V216 K217 S221 E222 C223E191-I219 HydrophobicContact CB-CG2 3.39Å; E191-I219 HydrophobicContact CG-CG2 3.72Å; I194-I219 HydrophobicContact CB-CD1 3.6Å; I194-I219 HydrophobicContact CG2-CD1 3.31Å; A195-I219 HydrophobicContact CB-CB 4.18Å; A195-I219 HydrophobicContact CB-CD1 4.34Å; A195-I219 HydrophobicContact CB-CG2 4.41Å; I198-I219 HydrophobicContact CD1-CD1 4.12Å; K215-I219 WeakPolarHBondContact O-CG1 3.37Å; K215-I219 PolarHBondContact O-N 2.89Å; V216-I219 VanDerWaalsContact O-CG1 3.28Å; V216-I219 WeakPolarHBondContact O-CG1 3.46Å; V216-I219 PolarHBondContact O-N 2.86Å; K217-I219 PolarHBondContact O-N 3.38Å; I219-S221 PolarHBondContact O-N 2.77Å; I219-E222 WeakPolarHBondContact O-CB 3.3Å; I219-E222 PolarHBondContact O-N 3.11Å; I219-C223 PolarHBondContact O-N 2.97Å; I219-C223 PolarHBondContact O-SG 2.87Å
220S91.3Very high92.6Very high22 Ų2249.3 Ų49.315%0.15425%0.247CC..G310 helixtrans-60.7-35.4-168.7650000112V216 K217 E222 C223V216-S220 WeakPolarHBondContact O-CB 3.45Å; V216-S220 PolarHBondContact O-N 3.49Å; K217-S220 PolarHBondContact O-N 2.81Å; K217-S220 PolarHBondContact O-OG 2.85Å; K217-S220 VanDerWaalsContact O-OG 3.13Å; S220-E222 PolarHBondContact O-N 2.62Å; S220-C223 PolarHBondContact O-N 3.33Å; S220-C223 VanDerWaalsContact O-N 3.12Å
221S90Very high92.8Very high102 Ų10250.8 Ų50.871%0.71325%0.252SS*.G310 helixtrans-65.7-22.9176.762.50000113.9I219I219-S221 PolarHBondContact O-N 2.77Å
222E90.9Very high93.1Very high111 Ų11146.9 Ų46.952%0.51923%0.231SC..G310 helixtrans-87.5-14.3176-59.4-177.3-158.900112.6A195 N199 I219 S220 K224A195-E222 HydrophobicContact CB-CB 4.33Å; N199-E222 PolarHBondContact ND2-O 2.86Å; N199-E222 PolarHBondContact OD1-O 3.46Å; I219-E222 WeakPolarHBondContact O-CB 3.3Å; I219-E222 PolarHBondContact O-N 3.11Å; S220-E222 PolarHBondContact O-N 2.62Å; E222-K224 PolarHBondContact O-N 2.94Å
223C91.3Very high93.1Very high7 Ų748.9 Ų48.95%0.04724%0.241CC..  trans-94.683.3-171.7-64.80000111.7I198 I219 S220 H225 L226I198-C223 HydrophobicContact CD1-CB 4.45Å; I198-C223 WeakPolarHBondContact CD1-SG 3.32Å; I198-C223 HydrophobicContact CG2-CB 3.85Å; I219-C223 PolarHBondContact O-N 2.97Å; I219-C223 PolarHBondContact O-SG 2.87Å; S220-C223 PolarHBondContact O-N 3.33Å; S220-C223 VanDerWaalsContact O-N 3.12Å; C223-H225 PolarHBondContact O-N 2.85Å; C223-L226 HydrophobicContact CB-CB 3.82Å; C223-L226 HydrophobicContact CB-CD2 4.31Å; C223-L226 PolarHBondContact O-N 2.96Å; C223-L226 VanDerWaalsContact O-N 3.17Å
224K88.6Confident92.9Very high179 Ų17949.6 Ų49.678%0.77825%0.246SC*.THydrogen-bonded Turntrans-58.6-25.4-168.7-60.5-179.4-176.4175.60115.5N199 E222N199-K224 PolarHBondContact OD1-N 3.19Å; N199-K224 VanDerWaalsContact OD1-N 3.07Å; E222-K224 PolarHBondContact O-N 2.94Å
225H92.1Very high92.8Very high66 Ų6647.6 Ų47.631%0.30623%0.231SC..THydrogen-bonded Turntrans-104.2-13.7-173.5-60.8-80.8000113.1E204 C223 K227E204-H225 VanDerWaalsContact CA-O 3.29Å; E204-H225 WeakPolarHBondContact CA-O 3.17Å; C223-H225 PolarHBondContact O-N 2.85Å; H225-K227 PolarHBondContact O-N 3.14Å
226L95.4Very high92.6Very high16 Ų1645.6 Ų45.68%0.08422%0.222CC..  trans-70.4121.4-172.2-175.164.7000110.3I198 I206 V216 C223 I229I198-L226 HydrophobicContact CG2-CB 4.35Å; I206-L226 HydrophobicContact CB-CD1 4.06Å; I206-L226 HydrophobicContact CG2-CD1 3.78Å; I206-L226 HydrophobicContact CG2-CD2 4.46Å; V216-L226 HydrophobicContact CG1-CD2 4.07Å; C223-L226 HydrophobicContact CB-CB 3.82Å; C223-L226 HydrophobicContact CB-CD2 4.31Å; C223-L226 PolarHBondContact O-N 2.96Å; C223-L226 VanDerWaalsContact O-N 3.17Å; L226-I229 HydrophobicContact CD2-CG1 4.45Å
227K95.9Very high92.1Very high98 Ų9848.1 Ų48.143%0.42624%0.239SC..  trans-117.6-32.4179.4-65.6171.7-175.3167.10112.3E204 H225 C251 E252E204-K227 HydrophobicContact CB-CD 4.3Å; E204-K227 HydrophobicContact CG-CD 4.43Å; E204-K227 PolarHBondContact O-N 3.31Å; E204-K227 IonicContact OE1-NZ 2.8Å; E204-K227 PolarHBondContact OE1-NZ 3.18Å; E204-K227 IonicContact OE2-NZ 2.86Å; E204-K227 PolarHBondContact OE2-NZ 2.84Å; H225-K227 PolarHBondContact O-N 3.14Å; K227-C251 WeakPolarHBondContact O-CA 3.3Å; K227-E252 PolarHBondContact O-N 2.63Å
228R97.2Very high91.4Very high18 Ų1850.2 Ų50.27%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-131133.5-169.8-81.8174.9-72.8-87.85.8112.5V150 G151 E204 T205 I206 E252 Y254V150-R228 WeakPolarHBondContact O-CD 3.48Å; V150-R228 PolarHBondContact O-NE 3.02Å; V150-R228 PolarHBondContact O-NH1 3.45Å; V150-R228 VanDerWaalsContact O-NH1 3.16Å; G151-R228 PolarHBondContact O-NH2 3.47Å; E204-R228 PolarHBondContact O-N 3.05Å; E204-R228 IonicContact OE2-NH2 3.3Å; T205-R228 WeakPolarHBondContact CA-O 3.31Å; T205-R228 HydrophobicContact CG2-CB 4.01Å; T205-R228 PolarHBondContact OG1-NE 3.4Å; I206-R228 PolarHBondContact N-O 2.87Å; R228-E252 CarbonylContact C-O 3.37Å; R228-E252 WeakPolarHBondContact CA-O 3.22Å; R228-E252 WeakPolarHBondContact CD-OE2 3.02Å; R228-E252 HydrophobicContact CG-CB 3.83Å; R228-E252 WeakPolarHBondContact CG-OE2 3.41Å; R228-E252 IonicContact CZ-OE2 3.62Å; R228-E252 IonicContact NH1-OE2 3.35Å; R228-E252 PolarHBondContact NH1-OE2 3.3Å; R228-Y254 HydrophobicContact CG-CE2 4.2Å
229I97.5Very high90.6Very high0 Ų050 Ų500%026%0.26CS..EExtended strand (participates in β ladder)trans-117.8111.5170.5-56.8175.9000107.8I206 T208 V216 L226 V248 C251 E252 M253 Y254I206-I229 HydrophobicContact CG2-CB 4.17Å; I206-I229 HydrophobicContact CG2-CG1 3.77Å; I206-I229 HydrophobicContact CG2-CG2 4.12Å; I206-I229 WeakPolarHBondContact O-CA 3.44Å; T208-I229 HydrophobicContact CG2-CG2 3.89Å; V216-I229 HydrophobicContact CG1-CD1 3.83Å; V216-I229 HydrophobicContact CG1-CG1 4.44Å; L226-I229 HydrophobicContact CD2-CG1 4.45Å; I229-V248 HydrophobicContact CD1-CB 3.75Å; I229-V248 HydrophobicContact CD1-CG1 4.05Å; I229-V248 HydrophobicContact CD1-CG2 3.57Å; I229-C251 HydrophobicContact CD1-CB 3.95Å; I229-C251 HydrophobicContact CG1-CB 3.99Å; I229-E252 PolarHBondContact N-O 2.76Å; I229-M253 HydrophobicContact CB-CG 4.3Å; I229-M253 HydrophobicContact CG2-CE 4.3Å; I229-M253 VanDerWaalsContact O-CA 3.28Å; I229-M253 WeakPolarHBondContact O-CA 3.37Å; I229-Y254 PolarHBondContact O-N 3.03Å
230V98.1Very high90.3Very high0 Ų055.2 Ų55.20%028%0.28CS..EExtended strand (participates in β ladder)trans-97.6132.8169178.70000107.5L147 T205 I206 I207 T208 Y254 L256 I259L147-V230 HydrophobicContact CD2-CG2 4.17Å; T205-V230 HydrophobicContact CG2-CG2 4.28Å; I206-V230 PolarHBondContact O-N 3.04Å; I207-V230 CarbonylContact C-O 3.54Å; I207-V230 VanDerWaalsContact CA-O 3.23Å; I207-V230 WeakPolarHBondContact CA-O 3.41Å; I207-V230 HydrophobicContact CG1-CB 3.97Å; I207-V230 HydrophobicContact CG1-CG1 4.34Å; T208-V230 PolarHBondContact N-O 2.76Å; V230-Y254 CarbonylContact C-O 3.57Å; V230-Y254 VanDerWaalsContact CA-O 3.29Å; V230-Y254 WeakPolarHBondContact CA-O 3.34Å; V230-L256 HydrophobicContact CG1-CB 4.22Å; V230-L256 HydrophobicContact CG1-CD1 3.81Å; V230-I259 HydrophobicContact CG1-CG1 3.88Å; V230-I259 HydrophobicContact CG2-CD1 4.22Å; V230-I259 HydrophobicContact CG2-CG1 3.98Å
231Y96.6Very high89.9Confident36 Ų3659.4 Ų59.414%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-132157.2-177.866.1-85.4000112.9T208 I213 L242 M253 Y254 D255 L256T208-Y231 VanDerWaalsContact O-CA 3.23Å; T208-Y231 WeakPolarHBondContact O-CA 3.4Å; I213-Y231 HydrophobicContact CD1-CD1 4.26Å; I213-Y231 HydrophobicContact CD1-CD2 4.21Å; I213-Y231 HydrophobicContact CD1-CG 3.82Å; Y231-L242 HydrophobicContact CD1-CD1 4.33Å; Y231-L242 HydrophobicContact CE1-CD1 3.59Å; Y231-L242 HydrophobicContact CE2-CD1 4.01Å; Y231-L242 HydrophobicContact CE2-CD2 4.5Å; Y231-L242 HydrophobicContact CE2-CG 4.11Å; Y231-L242 VanDerWaalsContact CZ-CD1 3.4Å; Y231-L242 WeakPolarHBondContact OH-CD1 3.28Å; Y231-M253 HydrophobicContact CD1-CE 4.26Å; Y231-M253 HydrophobicContact CE1-CB 4.4Å; Y231-M253 HydrophobicContact CE1-CE 4.4Å; Y231-Y254 WeakPolarHBondContact CD1-O 3.35Å; Y231-Y254 VanDerWaalsContact CE1-C 3.46Å; Y231-Y254 WeakPolarHBondContact CE1-O 3.47Å; Y231-Y254 PolarHBondContact N-O 3.33Å; Y231-D255 HydrophobicContact CE2-CB 4.29Å; Y231-D255 CarbonylContact O-C 3.54Å; Y231-D255 WeakPolarHBondContact O-CA 3.43Å; Y231-L256 PolarHBondContact O-N 2.8Å
232F95.8Very high89.7Confident3 Ų356.4 Ų56.41%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-143.1170.9170.753.2-98.6000111.2A162 Q165 N167 I207 T208 T209 H210 L256A162-F232 HydrophobicContact CB-CE2 4.44Å; A162-F232 HydrophobicContact CB-CZ 3.92Å; Q165-F232 VanDerWaalsContact CD-CE2 3.44Å; Q165-F232 HydrophobicContact CG-CE2 3.88Å; Q165-F232 HydrophobicContact CG-CZ 4.47Å; N167-F232 HydrophobicContact CB-CD1 4.14Å; N167-F232 HydrophobicContact CB-CD2 3.86Å; N167-F232 HydrophobicContact CB-CE1 4.17Å; N167-F232 HydrophobicContact CB-CE2 3.96Å; N167-F232 HydrophobicContact CB-CG 3.97Å; N167-F232 HydrophobicContact CB-CZ 4.12Å; I207-F232 HydrophobicContact CG2-CD1 4.02Å; I207-F232 HydrophobicContact CG2-CE1 3.45Å; I207-F232 VanDerWaalsContact CG2-CE1 3.45Å; I207-F232 HydrophobicContact CG2-CZ 4.5Å; T208-F232 PolarHBondContact O-N 2.91Å; T208-F232 VanDerWaalsContact O-N 3.11Å; T209-F232 VanDerWaalsContact CA-O 3.31Å; T209-F232 WeakPolarHBondContact CA-O 3.46Å; T209-F232 HydrophobicContact CG2-CD2 3.79Å; T209-F232 HydrophobicContact CG2-CE2 3.35Å; T209-F232 HydrophobicContact CG2-CZ 4.05Å; H210-F232 PolarHBondContact N-O 2.72Å; F232-L256 HydrophobicContact CB-CB 3.92Å; F232-L256 HydrophobicContact CB-CD2 4.29Å; F232-L256 HydrophobicContact CD1-CB 4.22Å; F232-L256 HydrophobicContact CD1-CD2 3.73Å; F232-L256 HydrophobicContact CD1-CG 4.49Å; F232-L256 HydrophobicContact CE1-CD2 4.39Å; F232-L256 HydrophobicContact CG-CD2 4.24Å
233L92.1Very high89.5Confident55 Ų5554.3 Ų54.329%0.28828%0.277SS..  trans-65.6137.6-178.4-68.1172.8000112.1Q165 T239Q165-L233 PolarHBondContact OE1-O 2.94Å; L233-T239 HydrophobicContact CD1-CG2 4.08Å; L233-T239 WeakPolarHBondContact CD1-OG1 3.33Å
234P91Very high89.2Confident15 Ų1558 Ų5810%0.09731%0.308CS..  trans-61.6149169.1-13.325.2000110.2H210 D211 Y236 S237H210-P234 HydrophobicContact CB-CG 4.18Å; D211-P234 HydrophobicContact CB-CG 3.95Å; D211-P234 VanDerWaalsContact OD1-CG 3.28Å; D211-P234 WeakPolarHBondContact OD1-CG 3.23Å; P234-Y236 PolarHBondContact O-N 3.28Å; P234-S237 WeakPolarHBondContact CB-OG 3.2Å; P234-S237 WeakPolarHBondContact CG-OG 3.41Å; P234-S237 PolarHBondContact O-N 3.15Å; P234-S237 VanDerWaalsContact O-N 3.14Å
235R87.6Confident89Confident19 Ų1952.9 Ų52.97%0.07230%0.299CS..THydrogen-bonded Turntrans-53.3-36.8-169.8-159.7-165.4-51.9144.3-2.2114.8T164 Q165 S355 S356T164-R235 PolarHBondContact O-NE 3.38Å; T164-R235 PolarHBondContact O-NH2 3.39Å; Q165-R235 HydrophobicContact CB-CG 4.28Å; R235-S355 PolarHBondContact NH1-O 3.18Å; R235-S355 PolarHBondContact NH2-O 2.96Å; R235-S356 VanDerWaalsContact NH1-CB 3.3Å; R235-S356 VanDerWaalsContact NH1-N 3.17Å
236Y85.7Confident88.9Confident21 Ų2150.5 Ų50.58%0.08229%0.288CS..THydrogen-bonded Turntrans-114.338.7-176.2-55.3-64.5000112.6V106 L123 L125 P234 S355 S356 T359 D374V106-Y236 HydrophobicContact CG2-CD1 4.41Å; L123-Y236 HydrophobicContact CD1-CD1 3.83Å; L123-Y236 HydrophobicContact CD1-CD2 3.92Å; L123-Y236 HydrophobicContact CD1-CE1 4.45Å; L123-Y236 HydrophobicContact CD1-CG 3.53Å; L125-Y236 HydrophobicContact CD1-CD1 4.27Å; L125-Y236 HydrophobicContact CD1-CE1 3.91Å; L125-Y236 HydrophobicContact CD2-CD1 3.88Å; L125-Y236 HydrophobicContact CD2-CE1 4.26Å; P234-Y236 PolarHBondContact O-N 3.28Å; Y236-S355 WeakPolarHBondContact OH-CA 3.47Å; Y236-S356 PolarHBondContact OH-N 3.32Å; Y236-T359 HydrophobicContact CE1-CG2 4.27Å; Y236-T359 HydrophobicContact CE2-CG2 3.99Å; Y236-T359 PolarHBondContact OH-OG1 3.26Å; Y236-D374 PolarHBondContact OH-OD2 2.92Å
237S83.5Confident88.7Confident52 Ų5253.6 Ų53.636%0.36430%0.304SS..  trans-115.4146.2-179.9-69.60000112.2P234P234-S237 WeakPolarHBondContact CB-OG 3.2Å; P234-S237 WeakPolarHBondContact CG-OG 3.41Å; P234-S237 PolarHBondContact O-N 3.15Å; P234-S237 VanDerWaalsContact O-N 3.14Å
238L76.8Confident88.4Confident107 Ų10749 Ų4956%0.5628%0.284SS*.  trans-78.4141.8164.7-65170.3000108.8V106 R240V106-L238 HydrophobicContact CG1-CD2 4.44Å; L238-R240 PolarHBondContact O-N 3.34Å
239T75.4Confident87.9Confident120 Ų12056.3 Ų56.374%0.73632%0.319SS*.  trans-55.6130.3179.8-49.90000111.1L233L233-T239 HydrophobicContact CD1-CG2 4.08Å; L233-T239 WeakPolarHBondContact CD1-OG1 3.33Å
240R82.9Confident87.5Confident113 Ų11362.8 Ų62.843%0.42635%0.354SS..  trans-147.6152.8169.570.8172.2-179.191.7-6.1110.6H210 L238 E246H210-R240 PolarHBondContact CE1-NH1 2.61Å; H210-R240 PolarHBondContact CE1-NH2 3.4Å; H210-R240 PolarHBondContact ND1-NH2 3.45Å; L238-R240 PolarHBondContact O-N 3.34Å; R240-E246 IonicContact CZ-OE1 3.71Å; R240-E246 IonicContact CZ-OE2 3.04Å; R240-E246 IonicContact NH1-OE1 2.74Å; R240-E246 PolarHBondContact NH1-OE1 3.05Å; R240-E246 IonicContact NH1-OE2 3.36Å; R240-E246 PolarHBondContact NH1-OE2 3.11Å; R240-E246 IonicContact NH2-OE1 3.62Å; R240-E246 PolarHBondContact NH2-OE1 3.31Å; R240-E246 IonicContact NH2-OE2 3.08Å
241P82.4Confident87.3Confident110 Ų11063.6 Ų63.671%0.71436%0.359SS*.PPolyproline II helixtrans-70.9159.717130.6-34.7000111.5
242L85.9Confident87.3Confident38 Ų3866.2 Ų66.220%0.19937%0.373CS..PPolyproline II helixtrans-61.1140.2167.4-71.7170.7000110.5H210 I213 Y231 E246 M253H210-L242 WeakPolarHBondContact NE2-CD2 3.36Å; I213-L242 HydrophobicContact CD1-CD2 3.46Å; I213-L242 VanDerWaalsContact CD1-CD2 3.46Å; Y231-L242 HydrophobicContact CD1-CD1 4.33Å; Y231-L242 HydrophobicContact CE1-CD1 3.59Å; Y231-L242 HydrophobicContact CE2-CD1 4.01Å; Y231-L242 HydrophobicContact CE2-CD2 4.5Å; Y231-L242 HydrophobicContact CE2-CG 4.11Å; Y231-L242 VanDerWaalsContact CZ-CD1 3.4Å; Y231-L242 WeakPolarHBondContact OH-CD1 3.28Å; L242-E246 HydrophobicContact CD2-CB 3.82Å; L242-M253 HydrophobicContact CD1-CE 3.75Å
243T88Confident87.3Confident67 Ų6767.9 Ų67.941%0.41138%0.381SS..PPolyproline II helixtrans-85.3159.2168.164.70000110.3A245 E246 I247T243-A245 PolarHBondContact O-N 3.36Å; T243-A245 VanDerWaalsContact O-N 3.13Å; T243-E246 WeakPolarHBondContact CB-OE2 3.46Å; T243-E246 WeakPolarHBondContact CG2-OE2 3.4Å; T243-E246 PolarHBondContact N-OE2 3.44Å; T243-E246 WeakPolarHBondContact O-CB 3.48Å; T243-E246 PolarHBondContact O-N 2.69Å; T243-E246 VanDerWaalsContact OG1-CD 3.27Å; T243-E246 WeakPolarHBondContact OG1-CG 3.39Å; T243-E246 PolarHBondContact OG1-OE2 3.13Å; T243-I247 PolarHBondContact O-N 2.81Å
244A84.9Confident87.5Confident85 Ų8567.3 Ų67.370%0.70238%0.375SS*.G310 helixtrans-56.1-31.2175.400000112.9E246 I247A244-E246 PolarHBondContact O-N 3.44Å; A244-I247 PolarHBondContact O-N 2.59Å
245A84.6Confident87.7Confident72 Ų7268.6 Ų68.660%0.59538%0.382SS*.G310 helixtrans-67.8-21.8176.200000113.2K217 T243K217-A245 WeakPolarHBondContact CD-O 3.5Å; K217-A245 WeakPolarHBondContact CE-O 3.46Å; K217-A245 PolarHBondContact NZ-O 3.22Å; T243-A245 PolarHBondContact O-N 3.36Å; T243-A245 VanDerWaalsContact O-N 3.13Å
246E88.8Confident88.2Confident16 Ų1667.7 Ų67.78%0.07538%0.378CS..G310 helixtrans-94.6-10.3-178.8-66.7162.8132.900112.7H210 I213 P214 R240 L242 T243 A244 V248H210-E246 VanDerWaalsContact CE1-CD 3.49Å; H210-E246 IonicContact CE1-OE1 2.81Å; H210-E246 PolarHBondContact CE1-OE1 3.18Å; H210-E246 IonicContact CE1-OE2 2.84Å; H210-E246 PolarHBondContact CE1-OE2 2.89Å; H210-E246 IonicContact ND1-OE1 2.65Å; H210-E246 PolarHBondContact ND1-OE1 2.68Å; I213-E246 HydrophobicContact CG2-CB 4.23Å; I213-E246 WeakPolarHBondContact CG2-O 3.27Å; P214-E246 HydrophobicContact CG-CG 4.34Å; R240-E246 IonicContact CZ-OE1 3.71Å; R240-E246 IonicContact CZ-OE2 3.04Å; R240-E246 IonicContact NH1-OE1 2.74Å; R240-E246 PolarHBondContact NH1-OE1 3.05Å; R240-E246 IonicContact NH1-OE2 3.36Å; R240-E246 PolarHBondContact NH1-OE2 3.11Å; R240-E246 IonicContact NH2-OE1 3.62Å; R240-E246 PolarHBondContact NH2-OE1 3.31Å; R240-E246 IonicContact NH2-OE2 3.08Å; L242-E246 HydrophobicContact CD2-CB 3.82Å; T243-E246 WeakPolarHBondContact CB-OE2 3.46Å; T243-E246 WeakPolarHBondContact CG2-OE2 3.4Å; T243-E246 PolarHBondContact N-OE2 3.44Å; T243-E246 WeakPolarHBondContact O-CB 3.48Å; T243-E246 PolarHBondContact O-N 2.69Å; T243-E246 VanDerWaalsContact OG1-CD 3.27Å; T243-E246 WeakPolarHBondContact OG1-CG 3.39Å; T243-E246 PolarHBondContact OG1-OE2 3.13Å; A244-E246 PolarHBondContact O-N 3.44Å; E246-V248 PolarHBondContact O-N 3.42Å
247I91Very high88.7Confident80 Ų8071.4 Ų71.441%0.4140%0.399SS..  trans-71.4130.5175.8-61.2176.4000109.6K217 T243 A244 M253K217-I247 VanDerWaalsContact CE-O 3.29Å; K217-I247 WeakPolarHBondContact CE-O 3.39Å; K217-I247 PolarHBondContact NZ-O 3.02Å; T243-I247 PolarHBondContact O-N 2.81Å; A244-I247 PolarHBondContact O-N 2.59Å; I247-M253 HydrophobicContact CG2-SD 4.37Å
248V91.4Very high89.3Confident2 Ų273.1 Ų73.11%0.01240%0.401CS..  trans-101.2102.3174.5-174.30000108.1I213 K217 I229 E246 D250 C251 M253I213-V248 HydrophobicContact CG2-CG2 4.43Å; K217-V248 HydrophobicContact CB-CG2 3.78Å; K217-V248 HydrophobicContact CD-CG2 4.45Å; K217-V248 HydrophobicContact CG-CG2 4.06Å; I229-V248 HydrophobicContact CD1-CB 3.75Å; I229-V248 HydrophobicContact CD1-CG1 4.05Å; I229-V248 HydrophobicContact CD1-CG2 3.57Å; E246-V248 PolarHBondContact O-N 3.42Å; V248-D250 VanDerWaalsContact C-N 3.28Å; V248-D250 PolarHBondContact O-N 2.84Å; V248-C251 HydrophobicContact CB-CB 4.32Å; V248-C251 HydrophobicContact CG1-CB 4.1Å; V248-C251 PolarHBondContact O-N 2.89Å; V248-C251 VanDerWaalsContact O-N 3.14Å; V248-M253 HydrophobicContact CB-SD 4.22Å; V248-M253 HydrophobicContact CG2-SD 4.4Å; V248-M253 PolarHBondContact N-SD 3.01Å
249E86.9Confident90.4Very high172 Ų17268 Ų6880%0.80438%0.375SS*.THydrogen-bonded Turntrans-61.4-32.1-166.8-67167.9-170.800113.9C251E249-C251 VanDerWaalsContact C-N 3.31Å; E249-C251 PolarHBondContact O-N 3.41Å
250D87.5Confident91.5Very high135 Ų13563.1 Ų63.172%0.72234%0.344SS*.THydrogen-bonded Turntrans-86.75.3-178.2-60.1-45.2000113.9V248V248-D250 VanDerWaalsContact C-N 3.28Å; V248-D250 PolarHBondContact O-N 2.84Å
251C94.2Very high92.2Very high18 Ų1864.3 Ų64.312%0.12235%0.349CS..SBendtrans-127.8141.5-176.7-69.40000112.1K227 I229 V248 E249 M253K227-C251 WeakPolarHBondContact O-CA 3.3Å; I229-C251 HydrophobicContact CD1-CB 3.95Å; I229-C251 HydrophobicContact CG1-CB 3.99Å; V248-C251 HydrophobicContact CB-CB 4.32Å; V248-C251 HydrophobicContact CG1-CB 4.1Å; V248-C251 PolarHBondContact O-N 2.89Å; V248-C251 VanDerWaalsContact O-N 3.14Å; E249-C251 VanDerWaalsContact C-N 3.31Å; E249-C251 PolarHBondContact O-N 3.41Å; C251-M253 PolarHBondContact O-N 2.9Å
252E96.1Very high93Very high90 Ų9060.3 Ų60.342%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-68.2124.3164.9-63.5169.4160.700108.5K227 R228 I229 Y254K227-E252 PolarHBondContact O-N 2.63Å; R228-E252 CarbonylContact C-O 3.37Å; R228-E252 WeakPolarHBondContact CA-O 3.22Å; R228-E252 WeakPolarHBondContact CD-OE2 3.02Å; R228-E252 HydrophobicContact CG-CB 3.83Å; R228-E252 WeakPolarHBondContact CG-OE2 3.41Å; R228-E252 IonicContact CZ-OE2 3.62Å; R228-E252 IonicContact NH1-OE2 3.35Å; R228-E252 PolarHBondContact NH1-OE2 3.3Å; I229-E252 PolarHBondContact N-O 2.76Å; E252-Y254 HydrophobicContact CB-CE2 3.68Å
253M96.4Very high93.6Very high39 Ų3958.5 Ų58.519%0.19231%0.312CS..EExtended strand (participates in β ladder)trans-113.3128.8-179.1-62-169.871.300110.8I213 I229 Y231 L242 I247 V248 C251I213-M253 HydrophobicContact CD1-CE 4.09Å; I213-M253 HydrophobicContact CG2-CE 4.1Å; I229-M253 HydrophobicContact CB-CG 4.3Å; I229-M253 HydrophobicContact CG2-CE 4.3Å; I229-M253 VanDerWaalsContact O-CA 3.28Å; I229-M253 WeakPolarHBondContact O-CA 3.37Å; Y231-M253 HydrophobicContact CD1-CE 4.26Å; Y231-M253 HydrophobicContact CE1-CB 4.4Å; Y231-M253 HydrophobicContact CE1-CE 4.4Å; L242-M253 HydrophobicContact CD1-CE 3.75Å; I247-M253 HydrophobicContact CG2-SD 4.37Å; V248-M253 HydrophobicContact CB-SD 4.22Å; V248-M253 HydrophobicContact CG2-SD 4.4Å; V248-M253 PolarHBondContact N-SD 3.01Å; C251-M253 PolarHBondContact O-N 2.9Å
254Y96.8Very high94Very high43 Ų4360 Ų6017%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-130.7140.3179.2-58.6-82.9000111.1V150 R228 I229 V230 Y231 E252 E258 I259 L262V150-Y254 HydrophobicContact CB-CE2 4.01Å; V150-Y254 HydrophobicContact CG1-CD1 4.35Å; V150-Y254 HydrophobicContact CG1-CD2 4.46Å; V150-Y254 HydrophobicContact CG1-CE1 3.9Å; V150-Y254 HydrophobicContact CG1-CE2 4Å; V150-Y254 HydrophobicContact CG2-CE2 4.43Å; R228-Y254 HydrophobicContact CG-CE2 4.2Å; I229-Y254 PolarHBondContact O-N 3.03Å; V230-Y254 CarbonylContact C-O 3.57Å; V230-Y254 VanDerWaalsContact CA-O 3.29Å; V230-Y254 WeakPolarHBondContact CA-O 3.34Å; Y231-Y254 WeakPolarHBondContact CD1-O 3.35Å; Y231-Y254 VanDerWaalsContact CE1-C 3.46Å; Y231-Y254 WeakPolarHBondContact CE1-O 3.47Å; Y231-Y254 PolarHBondContact N-O 3.33Å; E252-Y254 HydrophobicContact CB-CE2 3.68Å; Y254-E258 HydrophobicContact CD1-CG 4.48Å; Y254-I259 HydrophobicContact CD1-CD1 4.23Å; Y254-I259 HydrophobicContact CD2-CD1 4.08Å; Y254-I259 HydrophobicContact CG-CD1 3.74Å; Y254-I259 HydrophobicContact CG-CG1 4.37Å; Y254-L262 HydrophobicContact CD1-CD1 4.45Å; Y254-L262 HydrophobicContact CE1-CD1 4.44Å
255D95.5Very high94.7Very high42 Ų4261.3 Ų61.323%0.22531%0.306CS..EExtended strand (participates in β ladder)trans-71.4145.8163.6-167.3-71000109.3Y231 D257 E258 I259Y231-D255 HydrophobicContact CE2-CB 4.29Å; Y231-D255 CarbonylContact O-C 3.54Å; Y231-D255 WeakPolarHBondContact O-CA 3.43Å; D255-D257 PolarHBondContact O-N 2.92Å; D255-D257 WeakPolarHBondContact OD1-CB 3.35Å; D255-D257 PolarHBondContact OD1-N 3Å; D255-E258 HydrophobicContact CB-CB 4.14Å; D255-E258 PolarHBondContact N-OE2 3.31Å; D255-E258 WeakPolarHBondContact O-CA 3.05Å; D255-E258 VanDerWaalsContact O-CB 3.31Å; D255-E258 WeakPolarHBondContact O-CB 3.43Å; D255-E258 PolarHBondContact O-N 3.12Å; D255-I259 PolarHBondContact O-N 2.88Å
256L97.5Very high95.3Very high0 Ų061.4 Ų61.40%029%0.294CS..Hα-helixtrans-61.1-33.3177.1-172.669.2000111.9I143 N167 V230 Y231 F232 E258 I259 E260I143-L256 HydrophobicContact CD1-CD1 4.21Å; I143-L256 HydrophobicContact CD1-CD2 4.26Å; I143-L256 HydrophobicContact CD1-CG 4.19Å; I143-L256 HydrophobicContact CG1-CD1 4.27Å; I143-L256 HydrophobicContact CG2-CD1 4.05Å; N167-L256 HydrophobicContact CB-CD2 3.79Å; V230-L256 HydrophobicContact CG1-CB 4.22Å; V230-L256 HydrophobicContact CG1-CD1 3.81Å; Y231-L256 PolarHBondContact O-N 2.8Å; F232-L256 HydrophobicContact CB-CB 3.92Å; F232-L256 HydrophobicContact CB-CD2 4.29Å; F232-L256 HydrophobicContact CD1-CB 4.22Å; F232-L256 HydrophobicContact CD1-CD2 3.73Å; F232-L256 HydrophobicContact CD1-CG 4.49Å; F232-L256 HydrophobicContact CE1-CD2 4.39Å; F232-L256 HydrophobicContact CG-CD2 4.24Å; L256-E258 VanDerWaalsContact C-N 3.31Å; L256-I259 PolarHBondContact O-N 3.17Å; L256-E260 PolarHBondContact O-N 3.5Å
257D95.8Very high95.7Very high98 Ų9865.4 Ų65.452%0.52431%0.309SS..Hα-helixtrans-70.3-30.5175.4-66.6-20000111R139 D255 E260 Y261R139-D257 IonicContact NH2-OD1 2.8Å; D255-D257 PolarHBondContact O-N 2.92Å; D255-D257 WeakPolarHBondContact OD1-CB 3.35Å; D255-D257 PolarHBondContact OD1-N 3Å; D257-E260 PolarHBondContact O-N 3.14Å; D257-Y261 WeakPolarHBondContact O-CB 3.48Å; D257-Y261 PolarHBondContact O-N 3.4Å
258E97.1Very high95.9Very high88 Ų8866.8 Ų66.841%0.41131%0.314SS..Hα-helixtrans-68.2-43.6170.7-178.5-176.6-167.100111.2Y254 D255 L256 E260 Y261 L262Y254-E258 HydrophobicContact CD1-CG 4.48Å; D255-E258 HydrophobicContact CB-CB 4.14Å; D255-E258 PolarHBondContact N-OE2 3.31Å; D255-E258 WeakPolarHBondContact O-CA 3.05Å; D255-E258 VanDerWaalsContact O-CB 3.31Å; D255-E258 WeakPolarHBondContact O-CB 3.43Å; D255-E258 PolarHBondContact O-N 3.12Å; L256-E258 VanDerWaalsContact C-N 3.31Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.33Å; E258-Y261 PolarHBondContact O-N 2.88Å; E258-L262 HydrophobicContact CG-CD1 4.27Å; E258-L262 WeakPolarHBondContact O-CB 3.49Å; E258-L262 WeakPolarHBondContact O-CG 3.28Å; E258-L262 PolarHBondContact O-N 3.26Å
259I98.5Very high96.2Very high0 Ų070.5 Ų70.50%034%0.338CS..Hα-helixtrans-58.8-44.2171.8-67.3-62.6000110.8I143 G146 L147 V150 V230 Y254 D255 L256 L262 G263I143-I259 HydrophobicContact CG2-CG2 4.32Å; G146-I259 WeakPolarHBondContact CA-O 3.17Å; L147-I259 HydrophobicContact CD2-CG2 4.33Å; L147-I259 HydrophobicContact CG-CG2 4.07Å; V150-I259 HydrophobicContact CB-CD1 4.41Å; V150-I259 HydrophobicContact CG1-CD1 3.69Å; V150-I259 HydrophobicContact CG2-CD1 3.86Å; V230-I259 HydrophobicContact CG1-CG1 3.88Å; V230-I259 HydrophobicContact CG2-CD1 4.22Å; V230-I259 HydrophobicContact CG2-CG1 3.98Å; Y254-I259 HydrophobicContact CD1-CD1 4.23Å; Y254-I259 HydrophobicContact CD2-CD1 4.08Å; Y254-I259 HydrophobicContact CG-CD1 3.74Å; Y254-I259 HydrophobicContact CG-CG1 4.37Å; D255-I259 PolarHBondContact O-N 2.88Å; L256-I259 PolarHBondContact O-N 3.17Å; I259-L262 PolarHBondContact O-N 3.42Å; I259-G263 PolarHBondContact O-N 3.17Å
260E98.4Very high96.6Very high18 Ų1863.3 Ų63.38%0.08431%0.306CS..Hα-helixtrans-60.5-45176.1-169.4179.5145.600111.2R138 R139 H142 I143 L256 D257 E258 G263 E264R138-E260 IonicContact CZ-OE1 2.8Å; R138-E260 IonicContact NH1-OE1 3.35Å; R138-E260 IonicContact NH2-OE1 2.92Å; R138-E260 PolarHBondContact NH2-OE1 3.01Å; R139-E260 WeakPolarHBondContact CG-OE1 3.36Å; R139-E260 WeakPolarHBondContact CG-OE2 3.18Å; R139-E260 IonicContact CZ-OE2 3.1Å; R139-E260 IonicContact NE-OE2 3Å; R139-E260 PolarHBondContact NE-OE2 3.06Å; R139-E260 IonicContact NH2-OE2 3.5Å; R139-E260 PolarHBondContact NH2-OE2 3.29Å; H142-E260 HydrophobicContact CB-CG 3.72Å; I143-E260 HydrophobicContact CG1-CB 3.95Å; I143-E260 HydrophobicContact CG1-CG 4.22Å; L256-E260 PolarHBondContact O-N 3.5Å; D257-E260 PolarHBondContact O-N 3.14Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.33Å; E260-G263 PolarHBondContact O-N 3.32Å; E260-E264 PolarHBondContact O-N 3.35Å
261Y98.5Very high97Very high137 Ų13760.7 Ų60.754%0.53730%0.296SS..Hα-helixtrans-62.6-47.7177.2177.2-93.2000112.3D257 E258 G263 E264 E265D257-Y261 WeakPolarHBondContact O-CB 3.48Å; D257-Y261 PolarHBondContact O-N 3.4Å; E258-Y261 PolarHBondContact O-N 2.88Å; Y261-G263 PolarHBondContact O-N 2.86Å; Y261-E264 WeakPolarHBondContact O-CB 3.48Å; Y261-E264 PolarHBondContact O-N 3Å; Y261-E265 WeakPolarHBondContact CE1-OE2 3.35Å; Y261-E265 PolarHBondContact O-N 3.36Å
262L98.5Very high97Very high27 Ų2764.1 Ų64.114%0.14131%0.311CS..Hα-helixtrans-58.6-37.7177.8-74.4171.1000111.9V150 Y254 E258 I259 H266V150-L262 HydrophobicContact CG1-CD1 3.83Å; Y254-L262 HydrophobicContact CD1-CD1 4.45Å; Y254-L262 HydrophobicContact CE1-CD1 4.44Å; E258-L262 HydrophobicContact CG-CD1 4.27Å; E258-L262 WeakPolarHBondContact O-CB 3.49Å; E258-L262 WeakPolarHBondContact O-CG 3.28Å; E258-L262 PolarHBondContact O-N 3.26Å; I259-L262 PolarHBondContact O-N 3.42Å; L262-H266 WeakPolarHBondContact O-CB 3.39Å; L262-H266 PolarHBondContact O-N 3Å; L262-H266 PolarHBondContact O-ND1 3.21Å
263G98.5Very high96.9Very high0 Ų064.9 Ų64.90%032%0.315CS..Hα-helixtrans-77.9-19.8176.400000115H142 G146 I259 E260 Y261 Y267H142-G263 WeakPolarHBondContact O-CA 3.49Å; G146-G263 VanDerWaalsContact N-CA 3.34Å; I259-G263 PolarHBondContact O-N 3.17Å; E260-G263 PolarHBondContact O-N 3.32Å; Y261-G263 PolarHBondContact O-N 2.86Å; G263-Y267 WeakPolarHBondContact O-CA 3.47Å; G263-Y267 WeakPolarHBondContact O-CB 3.46Å; G263-Y267 PolarHBondContact O-N 3.44Å
264E98.1Very high97Very high98 Ų9863 Ų6346%0.45831%0.305SS..Hα-helixtrans-74-46167.4-175.9160.5-14800110.7R138 H142 E260 Y261R138-E264 IonicContact NH1-OE1 3.18Å; R138-E264 IonicContact NH1-OE2 3Å; H142-E264 IonicContact CE1-OE1 2.9Å; H142-E264 IonicContact ND1-OE2 2.78Å; E260-E264 PolarHBondContact O-N 3.35Å; Y261-E264 WeakPolarHBondContact O-CB 3.48Å; Y261-E264 PolarHBondContact O-N 3Å
265E98.2Very high97Very high113 Ų11365.3 Ų65.353%0.52832%0.32SS..Hα-helixtrans-68.2-43.2-179.9-171.5-180-170.700112.2Y261Y261-E265 WeakPolarHBondContact CE1-OE2 3.35Å; Y261-E265 PolarHBondContact O-N 3.36Å
266H97.4Very high97Very high74 Ų7464.6 Ų64.634%0.34332%0.318SS..THydrogen-bonded Turntrans-112.143.7-176.7-55.494000111.7H149 L262 Q268H149-H266 AromaticContact CE1-CD2 3.66Å; H149-H266 AromaticContact CE1-CE1 3.85Å; H149-H266 AromaticContact CE1-CG 3.37Å; H149-H266 AromaticContact CE1-ND1 3.5Å; H149-H266 AromaticContact CE1-NE2 3.93Å; H149-H266 WeakPolarHBondContact ND1-CB 3.48Å; H149-H266 AromaticContact ND1-CG 3.54Å; H149-H266 AromaticContact ND1-ND1 3.94Å; H149-H266 AromaticContact NE2-ND1 3.71Å; L262-H266 WeakPolarHBondContact O-CB 3.39Å; L262-H266 PolarHBondContact O-N 3Å; L262-H266 PolarHBondContact O-ND1 3.21Å; H266-Q268 PolarHBondContact O-N 3.05Å; H266-Q268 VanDerWaalsContact O-N 3.17Å
267Y98.1Very high97Very high100 Ų10070 Ų7039%0.39235%0.347SS..  trans-56.1122.5-173.7-176.4-106.2000112.9R141 A145 G263R141-Y267 HydrophobicContact CB-CE2 4Å; A145-Y267 HydrophobicContact CB-CD2 3.84Å; A145-Y267 HydrophobicContact CB-CE2 4.25Å; G263-Y267 WeakPolarHBondContact O-CA 3.47Å; G263-Y267 WeakPolarHBondContact O-CB 3.46Å; G263-Y267 PolarHBondContact O-N 3.44Å
268Q95.5Very high97.1Very high108 Ų10867.2 Ų67.251%0.50533%0.332SS..  trans-124.4129.8167.6-65.9-173.55.100109.1Y178 H266Y178-Q268 WeakPolarHBondContact CE1-O 3.5Å; Y178-Q268 PolarHBondContact OH-O 3.13Å; H266-Q268 PolarHBondContact O-N 3.05Å; H266-Q268 VanDerWaalsContact O-N 3.17Å
269P96.2Very high97.2Very high80 Ų8065.2 Ų65.252%0.51932%0.324SS..  trans-65.3162.2171.430.4-34.8000110.2P271P269-P271 WeakPolarHBondContact O-CD 3.21Å; P269-P271 VanDerWaalsContact O-N 3.16Å
270P96.6Very high97.1Very high22 Ų2265.2 Ų65.214%0.14332%0.324CS..  trans-50.7121.8174.8-27.835.6000111.4K177 Y178 E272K177-P270 HydrophobicContact CD-CG 4.39Å; K177-P270 HydrophobicContact CG-CG 3.74Å; K177-P270 WeakPolarHBondContact O-CB 3.48Å; K177-P270 WeakPolarHBondContact O-CG 3.16Å; Y178-P270 HydrophobicContact CD1-CB 4.27Å; Y178-P270 HydrophobicContact CD1-CG 4.17Å; Y178-P270 HydrophobicContact CD2-CG 4.07Å; Y178-P270 HydrophobicContact CE1-CB 4.39Å; Y178-P270 HydrophobicContact CE1-CG 4Å; Y178-P270 HydrophobicContact CE2-CG 3.89Å; Y178-P270 HydrophobicContact CG-CB 4.48Å; Y178-P270 HydrophobicContact CG-CG 4.22Å; P270-E272 PolarHBondContact O-N 3.32Å
271P95.2Very high97.1Very high79 Ų7964.4 Ų64.451%0.51332%0.32SS..SBendtrans-62.8-33.6-178.6-23.732.6000112.3L148 V154 P269L148-P271 HydrophobicContact CD1-CG 3.85Å; L148-P271 HydrophobicContact CD2-CG 4.34Å; V154-P271 HydrophobicContact CG2-CB 4.23Å; V154-P271 HydrophobicContact CG2-CG 3.9Å; P269-P271 WeakPolarHBondContact O-CD 3.21Å; P269-P271 VanDerWaalsContact O-N 3.16Å
272E95Very high97.1Very high90 Ų9058 Ų5842%0.42130%0.295SS..SBendtrans-131.1140.4176.2-68.8178.3-136.800109.5V154 K179 P270V154-E272 HydrophobicContact CG1-CB 4.45Å; K179-E272 HydrophobicContact CD-CB 4.14Å; K179-E272 IonicContact NZ-OE2 3.5Å; K179-E272 PolarHBondContact NZ-OE2 3.29Å; P270-E272 PolarHBondContact O-N 3.32Å
273Q93.7Very high96.9Very high107 Ų10756.8 Ų56.850%0.529%0.289SS..PPolyproline II helixtrans-78.9141.3170.4-68.1-69.8-5100110
274P96.9Very high96.3Very high0 Ų057.7 Ų57.70%029%0.293CS..PPolyproline II helixtrans-63.9144172-18.931.3000111.9T83 F176T83-P274 HydrophobicContact CG2-CB 4.26Å; F176-P274 WeakPolarHBondContact O-CG 3.4Å
275N96.8Very high95.3Very high90 Ų9054.2 Ų54.248%0.48128%0.278SS..PPolyproline II helixtrans-102.2158.4167.5-62.6-56000110.7T83 D277 D278T83-N275 VanDerWaalsContact CG2-C 3.47Å; N275-D277 VanDerWaalsContact C-N 3.26Å; N275-D277 PolarHBondContact O-N 2.87Å; N275-D278 WeakPolarHBondContact CB-OD2 3.47Å; N275-D278 PolarHBondContact N-OD2 2.81Å; N275-D278 WeakPolarHBondContact O-CB 3.47Å; N275-D278 PolarHBondContact O-N 3.26Å; N275-D278 VanDerWaalsContact O-N 3.11Å
276P96.9Very high93.7Very high28 Ų2853.6 Ų53.618%0.18229%0.286CS..THydrogen-bonded Turntrans-59-34-176.9-26.836.9000114.4D82 T83 S298 H299 K300D82-P276 HydrophobicContact CB-CB 4.43Å; D82-P276 HydrophobicContact CB-CG 3.69Å; D82-P276 VanDerWaalsContact CG-CG 3.46Å; D82-P276 WeakPolarHBondContact OD2-CG 3.33Å; T83-P276 HydrophobicContact CG2-CG 4.21Å; P276-S298 WeakPolarHBondContact O-CB 3.2Å; P276-S298 PolarHBondContact O-OG 3.01Å; P276-H299 PolarHBondContact O-N 3.24Å; P276-K300 HydrophobicContact CB-CB 3.93Å; P276-K300 WeakPolarHBondContact O-CB 3.32Å; P276-K300 PolarHBondContact O-N 3.32Å
277D97.2Very high91.4Very high113 Ų11351.5 Ų51.560%0.60429%0.285SS*.THydrogen-bonded Turntrans-89.4-4.9-177.9-59.8-50.4000113.2N275 K300N275-D277 VanDerWaalsContact C-N 3.26Å; N275-D277 PolarHBondContact O-N 2.87Å; D277-K300 IonicContact OD1-NZ 2.9Å
278D97.9Very high88.8Confident40 Ų4050.5 Ų50.521%0.21429%0.289CS..SBendtrans-65.5142.1172.8-68.2-34.8000110.1K179 N275 A280 S298 H299K179-D278 WeakPolarHBondContact CE-OD2 3.42Å; K179-D278 IonicContact NZ-OD2 2.73Å; K179-D278 PolarHBondContact NZ-OD2 2.94Å; N275-D278 WeakPolarHBondContact CB-OD2 3.47Å; N275-D278 PolarHBondContact N-OD2 2.81Å; N275-D278 WeakPolarHBondContact O-CB 3.47Å; N275-D278 PolarHBondContact O-N 3.26Å; N275-D278 VanDerWaalsContact O-N 3.11Å; D278-A280 PolarHBondContact O-N 3.17Å; D278-S298 WeakPolarHBondContact O-CA 3.46Å; D278-S298 WeakPolarHBondContact O-CB 3.47Å; D278-H299 PolarHBondContact O-CD2 3.27Å; D278-H299 PolarHBondContact O-N 3.38Å
279I98.1Very high86.4Confident45 Ų4550.7 Ų50.723%0.23130%0.298CS..EExtended strand (participates in β ladder)trans-69.1115.2178.5-57.7-53.6000109.4P181 I282 L296P181-I279 HydrophobicContact CB-CG2 4.28Å; P181-I279 WeakPolarHBondContact CB-O 3.38Å; P181-I279 WeakPolarHBondContact CG-O 3.09Å; I279-I282 HydrophobicContact CG2-CG1 3.91Å; I279-L296 HydrophobicContact CD1-CB 3.95Å
280A98.2Very high84.3Confident1 Ų149.4 Ų49.41%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-84.3-45.617400000110.6I84 F176 V182 D278 L297 L302I84-A280 HydrophobicContact CD1-CB 4.1Å; F176-A280 HydrophobicContact CD1-CB 4.09Å; F176-A280 HydrophobicContact CE1-CB 4.04Å; F176-A280 WeakPolarHBondContact CE1-O 3.36Å; V182-A280 PolarHBondContact N-O 3.19Å; D278-A280 PolarHBondContact O-N 3.17Å; A280-L297 PolarHBondContact N-O 3.28Å; A280-L302 HydrophobicContact CB-CD1 4.18Å
281M98Very high82.7Confident1 Ų151.7 Ų51.71%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-137.5144.8-174.8-62.9-171.47400113.2W168 F176 V182 T184 M283 L297 L302 V339W168-M281 HydrophobicContact CH2-CE 4.07Å; F176-M281 HydrophobicContact CE1-CG 3.58Å; F176-M281 HydrophobicContact CE1-SD 4.25Å; F176-M281 HydrophobicContact CZ-CG 3.72Å; F176-M281 HydrophobicContact CZ-SD 3.74Å; V182-M281 HydrophobicContact CB-CG 4.3Å; V182-M281 HydrophobicContact CG1-CE 4.37Å; V182-M281 CarbonylContact O-C 3.6Å; V182-M281 WeakPolarHBondContact O-CA 3.31Å; T184-M281 HydrophobicContact CG2-CE 3.23Å; M281-M283 HydrophobicContact CB-CE 4.49Å; M281-M283 HydrophobicContact CE-CE 3.29Å; M281-M283 HydrophobicContact CE-CG 4.42Å; M281-M283 HydrophobicContact SD-CE 3.5Å; M281-M283 VanDerWaalsContact SD-CE 3.5Å; M281-L297 HydrophobicContact CB-CB 4.32Å; M281-L297 PolarHBondContact N-O 2.83Å; M281-L297 WeakPolarHBondContact O-CB 3.47Å; M281-L297 PolarHBondContact O-N 2.92Å; M281-L302 HydrophobicContact CB-CD1 4.36Å; M281-L302 HydrophobicContact CG-CD1 3.97Å; M281-L302 HydrophobicContact SD-CD1 3.9Å; M281-V339 HydrophobicContact CE-CG2 4.23Å; M281-V339 HydrophobicContact SD-CG1 3.95Å; M281-V339 HydrophobicContact SD-CG2 4.33Å
282I97.5Very high81.7Confident1 Ų149.8 Ų49.81%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-115.9111.5166.2-51.6-176.9000107.8R157 V182 V183 T184 I279 V295 L296 L543R157-I282 HydrophobicContact CG-CD1 4.11Å; V182-I282 PolarHBondContact O-N 3.14Å; V183-I282 WeakPolarHBondContact CA-O 3.41Å; V183-I282 HydrophobicContact CG2-CB 4.09Å; V183-I282 HydrophobicContact CG2-CD1 4.17Å; V183-I282 HydrophobicContact CG2-CG1 4.4Å; T184-I282 PolarHBondContact N-O 3.31Å; I279-I282 HydrophobicContact CG2-CG1 3.91Å; I282-V295 VanDerWaalsContact CA-O 3.3Å; I282-V295 WeakPolarHBondContact CA-O 3.44Å; I282-L296 HydrophobicContact CD1-CD2 3.91Å; I282-L296 HydrophobicContact CG1-CD2 3.94Å; I282-L296 HydrophobicContact CG2-CD2 4.48Å; I282-L543 HydrophobicContact CD1-CD1 4.42Å; I282-L543 HydrophobicContact CD1-CD2 4.33Å; I282-L543 HydrophobicContact CG2-CD2 4.32Å
283M94.5Very high81.2Confident3 Ų347.7 Ų47.72%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-109.4119.8-177.5-70.1-168.3-177.900111.1M281 V295 L297 V336 V339 T481M281-M283 HydrophobicContact CB-CE 4.49Å; M281-M283 HydrophobicContact CE-CE 3.29Å; M281-M283 HydrophobicContact CE-CG 4.42Å; M281-M283 HydrophobicContact SD-CE 3.5Å; M281-M283 VanDerWaalsContact SD-CE 3.5Å; M283-V295 PolarHBondContact N-O 3.31Å; M283-V295 VanDerWaalsContact N-O 3.09Å; M283-V295 PolarHBondContact O-N 2.83Å; M283-L297 HydrophobicContact CB-CD1 4.49Å; M283-L297 HydrophobicContact CE-CD1 4.1Å; M283-L297 HydrophobicContact CG-CD1 3.99Å; M283-L297 HydrophobicContact SD-CD1 3.78Å; M283-V336 HydrophobicContact CE-CB 4.18Å; M283-V336 HydrophobicContact CE-CG2 4.28Å; M283-V336 HydrophobicContact SD-CB 3.65Å; M283-V336 HydrophobicContact SD-CG2 4.13Å; M283-V339 HydrophobicContact CE-CB 4.17Å; M283-V339 HydrophobicContact CE-CG1 4.43Å; M283-V339 HydrophobicContact CE-CG2 3.63Å; M283-T481 HydrophobicContact CB-CG2 3.6Å; M283-T481 HydrophobicContact CG-CG2 4.41Å; M283-T481 HydrophobicContact SD-CG2 4.09Å
284F87Confident81.1Confident19 Ų1942.6 Ų42.68%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-76125.9176.4-79.4-85.2000111.9V183 I185 A197 T201 P292 K293V183-F284 HydrophobicContact CG1-CD2 4.15Å; V183-F284 HydrophobicContact CG1-CE2 3.71Å; I185-F284 HydrophobicContact CG2-CD2 3.86Å; I185-F284 HydrophobicContact CG2-CE2 4.46Å; A197-F284 HydrophobicContact CB-CD2 4.27Å; A197-F284 HydrophobicContact CB-CE2 3.79Å; A197-F284 HydrophobicContact CB-CZ 4.02Å; T201-F284 HydrophobicContact CG2-CE2 3.84Å; T201-F284 HydrophobicContact CG2-CZ 3.89Å; F284-P292 HydrophobicContact CB-CB 4.35Å; F284-P292 HydrophobicContact CD1-CB 3.77Å; F284-P292 HydrophobicContact CG-CB 4.48Å; F284-K293 WeakPolarHBondContact CA-O 3.43Å
285T77.1Confident81Confident25 Ų2542.6 Ų42.615%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-105.8135.7173.2660000110.8G287 P292 K293 V295 T481T285-G287 PolarHBondContact O-N 3.1Å; T285-G287 VanDerWaalsContact O-N 3.15Å; T285-P292 VanDerWaalsContact O-CA 3.29Å; T285-P292 WeakPolarHBondContact O-CA 3.29Å; T285-K293 PolarHBondContact N-O 3.49Å; T285-K293 PolarHBondContact O-N 3.11Å; T285-K293 VanDerWaalsContact O-N 3.13Å; T285-V295 HydrophobicContact CG2-CG2 3.81Å; T285-T481 HydrophobicContact CG2-CG2 3.82Å; T285-T481 WeakPolarHBondContact CG2-OG1 3.45Å
286S63.4Low81.1Confident99 Ų9939.8 Ų39.869%0.69226%0.258SS*.  trans-75.1100169.8560000108.8
287G49.8Very low81.2Confident30 Ų3038.4 Ų38.431%0.30925%0.249SC..  trans-71.4149.2172.700000111.7T285 T289T285-G287 PolarHBondContact O-N 3.1Å; T285-G287 VanDerWaalsContact O-N 3.15Å; G287-T289 PolarHBondContact O-N 3.27Å
288T43.8Very low81.2Confident80 Ų8033.3 Ų33.349%0.49122%0.222SC..SBendtrans-67.7-15.1-178.7500000114.4K583T288-K583 PolarHBondContact OG1-NZ 2.77Å
289T45.3Very low81.2Confident112 Ų11231.6 Ų31.669%0.68721%0.213SC*.SBendtrans-136.18.5-168.554.80000115.5G287G287-T289 PolarHBondContact O-N 3.27Å
290G51.7Low81.1Confident53 Ų5333 Ų3355%0.54622%0.217SC..SBendtrans-166.6-172-175.600000115.5
291A62.3Low81.1Confident69 Ų6933.5 Ų33.557%0.5722%0.22SC*.SBendtrans-55.3148.517400000111
292P73.8Confident81.1Confident39 Ų3933.4 Ų33.425%0.25322%0.219SC..  trans-53.1140.6174.9-24.434.3000111.3F284 T285F284-P292 HydrophobicContact CB-CB 4.35Å; F284-P292 HydrophobicContact CD1-CB 3.77Å; F284-P292 HydrophobicContact CG-CB 4.48Å; T285-P292 VanDerWaalsContact O-CA 3.29Å; T285-P292 WeakPolarHBondContact O-CA 3.29Å
293K84.6Confident81Confident47 Ų4733.6 Ų33.620%0.20422%0.22CC..EExtended strand (participates in β ladder)trans-109129179.7-53.9176.6-169.6173.10110.2F284 T285 V295 Y542 K548 D552F284-K293 WeakPolarHBondContact CA-O 3.43Å; T285-K293 PolarHBondContact N-O 3.49Å; T285-K293 PolarHBondContact O-N 3.11Å; T285-K293 VanDerWaalsContact O-N 3.13Å; K293-V295 PolarHBondContact O-N 2.67Å; K293-Y542 HydrophobicContact CB-CD1 3.84Å; K293-Y542 HydrophobicContact CB-CE1 4.24Å; K293-Y542 HydrophobicContact CB-CG 4.45Å; K293-Y542 HydrophobicContact CD-CD1 4.05Å; K293-Y542 HydrophobicContact CD-CE1 3.94Å; K293-Y542 HydrophobicContact CD-CE2 4.42Å; K293-Y542 HydrophobicContact CD-CG 4.34Å; K293-K548 HydrophobicContact CD-CG 4.27Å; K293-K548 VanDerWaalsContact NZ-CE 3.33Å; K293-D552 IonicContact NZ-OD2 3.58Å
294G92Very high81.1Confident0 Ų033.5 Ų33.50%022%0.22CC..EExtended strand (participates in β ladder)trans-79.1109.2173.300000111.6Y542 L543G294-Y542 CarbonylContact O-C 3.57Å; G294-Y542 WeakPolarHBondContact O-CA 3.46Å; G294-L543 PolarHBondContact O-N 3.28Å
295V96.1Very high81.5Confident0 Ų032.6 Ų32.60%022%0.216CC..EExtended strand (participates in β ladder)trans-80.2128.2176.3-1760000110I282 M283 T285 K293 L297 T481 E482 Y542I282-V295 VanDerWaalsContact CA-O 3.3Å; I282-V295 WeakPolarHBondContact CA-O 3.44Å; M283-V295 PolarHBondContact N-O 3.31Å; M283-V295 VanDerWaalsContact N-O 3.09Å; M283-V295 PolarHBondContact O-N 2.83Å; T285-V295 HydrophobicContact CG2-CG2 3.81Å; K293-V295 PolarHBondContact O-N 2.67Å; V295-L297 HydrophobicContact CG1-CD2 3.73Å; V295-L297 HydrophobicContact CG1-CG 4.3Å; V295-L297 PolarHBondContact O-N 2.75Å; V295-T481 HydrophobicContact CB-CG2 3.75Å; V295-T481 HydrophobicContact CG1-CG2 4.09Å; V295-T481 HydrophobicContact CG2-CG2 3.75Å; V295-E482 HydrophobicContact CG1-CG 4.22Å; V295-E482 HydrophobicContact CG2-CG 4.18Å; V295-Y542 HydrophobicContact CG2-CD1 4.1Å; V295-Y542 HydrophobicContact CG2-CE1 3.9Å
296L97.8Very high82.3Confident30 Ų3031.4 Ų31.416%0.15721%0.209CC..EExtended strand (participates in β ladder)trans-88102.7-177.6-62.4175.9000111.6I279 I282 S539 S540 G541 L543I279-L296 HydrophobicContact CD1-CB 3.95Å; I282-L296 HydrophobicContact CD1-CD2 3.91Å; I282-L296 HydrophobicContact CG1-CD2 3.94Å; I282-L296 HydrophobicContact CG2-CD2 4.48Å; L296-S539 VanDerWaalsContact O-CB 3.3Å; L296-S539 WeakPolarHBondContact O-CB 2.97Å; L296-S540 WeakPolarHBondContact CB-OG 3.49Å; L296-S540 PolarHBondContact O-N 2.8Å; L296-G541 PolarHBondContact N-O 3.2Å; L296-L543 HydrophobicContact CD2-CB 4.06Å; L296-L543 HydrophobicContact CD2-CD1 4.17Å
297L98.4Very high83.5Confident0 Ų027.2 Ų27.20%018%0.178CC..EExtended strand (participates in β ladder)trans-104.8118.9-178.2-54.1178.8000110.9A280 M281 M283 V295 L302 V336 T481A280-L297 PolarHBondContact N-O 3.28Å; M281-L297 HydrophobicContact CB-CB 4.32Å; M281-L297 PolarHBondContact N-O 2.83Å; M281-L297 WeakPolarHBondContact O-CB 3.47Å; M281-L297 PolarHBondContact O-N 2.92Å; M283-L297 HydrophobicContact CB-CD1 4.49Å; M283-L297 HydrophobicContact CE-CD1 4.1Å; M283-L297 HydrophobicContact CG-CD1 3.99Å; M283-L297 HydrophobicContact SD-CD1 3.78Å; V295-L297 HydrophobicContact CG1-CD2 3.73Å; V295-L297 HydrophobicContact CG1-CG 4.3Å; V295-L297 PolarHBondContact O-N 2.75Å; L297-L302 HydrophobicContact CB-CD1 4.41Å; L297-L302 HydrophobicContact CB-CG 4.35Å; L297-L302 HydrophobicContact CD1-CD2 4.12Å; L297-V336 HydrophobicContact CD1-CG2 4.4Å; L297-T481 HydrophobicContact CD1-CG2 4.41Å; L297-T481 VanDerWaalsContact CD2-O 3.32Å; L297-T481 WeakPolarHBondContact CD2-O 3.32Å
298S98.2Very high85.6Confident6 Ų625.8 Ų25.84%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-80.5165.4173.674.30000112.5P276 D278 K300 N301 L302P276-S298 WeakPolarHBondContact O-CB 3.2Å; P276-S298 PolarHBondContact O-OG 3.01Å; D278-S298 WeakPolarHBondContact O-CA 3.46Å; D278-S298 WeakPolarHBondContact O-CB 3.47Å; S298-K300 VanDerWaalsContact C-N 3.26Å; S298-K300 PolarHBondContact O-N 2.95Å; S298-N301 PolarHBondContact N-OD1 3.04Å; S298-N301 PolarHBondContact O-N 3.09Å; S298-N301 VanDerWaalsContact O-N 3.12Å; S298-N301 PolarHBondContact OG-N 3.15Å; S298-N301 PolarHBondContact OG-ND2 3.37Å; S298-N301 PolarHBondContact OG-OD1 3.13Å; S298-N301 VanDerWaalsContact OG-OD1 3.07Å; S298-L302 PolarHBondContact O-N 3.38Å
299H97.7Very high87.9Confident3 Ų322.6 Ų22.61%0.01414%0.143CC..Hα-helixtrans-55.8-43.6172.4-74.2-83.2000112T83 I84 P276 D278 N301 L303T83-H299 HydrophobicContact CG2-CB 4.1Å; I84-H299 HydrophobicContact CG1-CB 4.45Å; I84-H299 PolarHBondContact N-ND1 3.21Å; P276-H299 PolarHBondContact O-N 3.24Å; D278-H299 PolarHBondContact O-CD2 3.27Å; D278-H299 PolarHBondContact O-N 3.38Å; H299-N301 VanDerWaalsContact C-N 3.3Å; H299-N301 PolarHBondContact O-N 2.98Å; H299-L303 WeakPolarHBondContact O-CB 3.43Å; H299-L303 PolarHBondContact O-N 2.94Å
300K97Very high89.9Confident74 Ų7418.5 Ų18.532%0.32212%0.115SC..Hα-helixtrans-59.6-40.3176.2176.3-179.1171.3-173.60111.8P276 D277 S298 A304 A536P276-K300 HydrophobicContact CB-CB 3.93Å; P276-K300 WeakPolarHBondContact O-CB 3.32Å; P276-K300 PolarHBondContact O-N 3.32Å; D277-K300 IonicContact OD1-NZ 2.9Å; S298-K300 VanDerWaalsContact C-N 3.26Å; S298-K300 PolarHBondContact O-N 2.95Å; K300-A304 WeakPolarHBondContact O-CB 3.44Å; K300-A304 PolarHBondContact O-N 3.39Å; K300-A536 HydrophobicContact CG-CB 4.36Å
301N97.7Very high91.6Very high12 Ų1219.2 Ų19.26%0.06411%0.105CC..Hα-helixtrans-61.9-52.2-178.6-60.1149.5000111.9S298 H299 A304 A305 S484 A536 V538S298-N301 PolarHBondContact N-OD1 3.04Å; S298-N301 PolarHBondContact O-N 3.09Å; S298-N301 VanDerWaalsContact O-N 3.12Å; S298-N301 PolarHBondContact OG-N 3.15Å; S298-N301 PolarHBondContact OG-ND2 3.37Å; S298-N301 PolarHBondContact OG-OD1 3.13Å; S298-N301 VanDerWaalsContact OG-OD1 3.07Å; H299-N301 VanDerWaalsContact C-N 3.3Å; H299-N301 PolarHBondContact O-N 2.98Å; N301-A304 PolarHBondContact O-N 3.1Å; N301-A305 PolarHBondContact O-N 3.17Å; N301-S484 WeakPolarHBondContact CB-OG 3.47Å; N301-A536 VanDerWaalsContact CA-O 3.26Å; N301-A536 WeakPolarHBondContact CA-O 3.43Å; N301-A536 PolarHBondContact ND2-O 3.02Å; N301-V538 PolarHBondContact ND2-O 2.87Å
302L97Very high92.6Very high0 Ų017.3 Ų17.30%08%0.084CC..Hα-helixtrans-65.9-41.4179.9-70.4166.9000112.2I84 A280 M281 L297 S298 S306 V336 V339 L343I84-L302 HydrophobicContact CD1-CB 4.03Å; I84-L302 HydrophobicContact CD1-CD1 3.74Å; A280-L302 HydrophobicContact CB-CD1 4.18Å; M281-L302 HydrophobicContact CB-CD1 4.36Å; M281-L302 HydrophobicContact CG-CD1 3.97Å; M281-L302 HydrophobicContact SD-CD1 3.9Å; L297-L302 HydrophobicContact CB-CD1 4.41Å; L297-L302 HydrophobicContact CB-CG 4.35Å; L297-L302 HydrophobicContact CD1-CD2 4.12Å; S298-L302 PolarHBondContact O-N 3.38Å; L302-S306 WeakPolarHBondContact O-CB 3.34Å; L302-S306 PolarHBondContact O-N 2.99Å; L302-S306 PolarHBondContact O-OG 3Å; L302-V336 HydrophobicContact CD2-CG2 4.19Å; L302-V339 HydrophobicContact CD2-CG1 4.21Å; L302-L343 HydrophobicContact CB-CD1 4.24Å
303L95.7Very high93Very high5 Ų516.5 Ų16.53%0.0268%0.078CC..Hα-helixtrans-65.4-44.4176.8-82.5-179000112.7T83 I84 A87 H299 A305 S306 M307T83-L303 VanDerWaalsContact CA-CD1 3.48Å; T83-L303 VanDerWaalsContact N-CD1 3.34Å; I84-L303 HydrophobicContact CG1-CD2 4.42Å; I84-L303 HydrophobicContact CG1-CG 4.05Å; A87-L303 HydrophobicContact CB-CD2 3.79Å; H299-L303 WeakPolarHBondContact O-CB 3.43Å; H299-L303 PolarHBondContact O-N 2.94Å; L303-A305 VanDerWaalsContact C-N 3.31Å; L303-A305 PolarHBondContact O-N 3.44Å; L303-S306 PolarHBondContact O-OG 3.42Å; L303-M307 HydrophobicContact CD2-CE 4.33Å; L303-M307 VanDerWaalsContact O-CB 3.25Å; L303-M307 WeakPolarHBondContact O-CB 3.17Å; L303-M307 WeakPolarHBondContact O-CG 3.43Å; L303-M307 PolarHBondContact O-N 3.48Å
304A95.9Very high92.6Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-60.7-43.5179.900000111.2K300 N301 S308 C506 A536K300-A304 WeakPolarHBondContact O-CB 3.44Å; K300-A304 PolarHBondContact O-N 3.39Å; N301-A304 PolarHBondContact O-N 3.1Å; A304-S308 VanDerWaalsContact O-CB 3.28Å; A304-S308 WeakPolarHBondContact O-CB 3.41Å; A304-S308 PolarHBondContact O-N 2.95Å; A304-S308 VanDerWaalsContact O-N 3.15Å; A304-S308 PolarHBondContact O-OG 3.09Å; A304-C506 HydrophobicContact CB-CB 3.92Å; A304-A536 HydrophobicContact CB-CB 3.73Å
305A95.8Very high91.7Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-67.5-53.7179.800000111.9N301 L303 M307 S308 Q309 S484 N537N301-A305 PolarHBondContact O-N 3.17Å; L303-A305 VanDerWaalsContact C-N 3.31Å; L303-A305 PolarHBondContact O-N 3.44Å; A305-M307 PolarHBondContact O-N 3.38Å; A305-S308 PolarHBondContact O-N 2.85Å; A305-Q309 VanDerWaalsContact O-CG 3.26Å; A305-Q309 WeakPolarHBondContact O-CG 3.46Å; A305-Q309 PolarHBondContact O-N 2.96Å; A305-Q309 PolarHBondContact O-NE2 2.84Å; A305-S484 WeakPolarHBondContact CB-O 3.38Å; A305-N537 HydrophobicContact CB-CB 3.91Å
306S93.3Very high89.9Confident0 Ų029.1 Ų29.10%013%0.131CC..Hα-helixtrans-61.1-45.2-178.956.70000112.4L302 L303 S308 Q309 Y310 C344L302-S306 WeakPolarHBondContact O-CB 3.34Å; L302-S306 PolarHBondContact O-N 2.99Å; L302-S306 PolarHBondContact O-OG 3Å; L303-S306 PolarHBondContact O-OG 3.42Å; S306-S308 PolarHBondContact O-N 2.91Å; S306-Q309 PolarHBondContact O-N 3.05Å; S306-Y310 PolarHBondContact O-N 3Å; S306-C344 PolarHBondContact O-SG 3.48Å
307M90.3Very high88.1Confident11 Ų1132 Ų325%0.05414%0.143CC..Hα-helixtrans-65.9-38.8178.8-65.9-55.9116.100112.4R77 L303 A305 Y310 E311 S347R77-M307 HydrophobicContact CB-CB 4.27Å; R77-M307 HydrophobicContact CB-CG 4.11Å; R77-M307 HydrophobicContact CB-SD 4.1Å; L303-M307 HydrophobicContact CD2-CE 4.33Å; L303-M307 VanDerWaalsContact O-CB 3.25Å; L303-M307 WeakPolarHBondContact O-CB 3.17Å; L303-M307 WeakPolarHBondContact O-CG 3.43Å; L303-M307 PolarHBondContact O-N 3.48Å; A305-M307 PolarHBondContact O-N 3.38Å; M307-Y310 WeakPolarHBondContact O-CB 3.07Å; M307-Y310 PolarHBondContact O-N 3.42Å; M307-E311 WeakPolarHBondContact O-CG 3.33Å; M307-E311 PolarHBondContact O-N 2.88Å; M307-S347 VanDerWaalsContact CE-OG 3.26Å; M307-S347 WeakPolarHBondContact CE-OG 3.12Å
308S92.8Very high86.6Confident1 Ų132.4 Ų32.41%0.00715%0.145CC..Hα-helixtrans-68-37.5177.1-57.50000112.5A304 A305 S306 E311 I312 S505 C506A304-S308 VanDerWaalsContact O-CB 3.28Å; A304-S308 WeakPolarHBondContact O-CB 3.41Å; A304-S308 PolarHBondContact O-N 2.95Å; A304-S308 VanDerWaalsContact O-N 3.15Å; A304-S308 PolarHBondContact O-OG 3.09Å; A305-S308 PolarHBondContact O-N 2.85Å; S306-S308 PolarHBondContact O-N 2.91Å; S308-E311 PolarHBondContact O-N 3.06Å; S308-I312 PolarHBondContact O-N 3.37Å; S308-S505 VanDerWaalsContact CB-OG 3.32Å; S308-S505 WeakPolarHBondContact CB-OG 3.18Å; S308-S505 PolarHBondContact OG-OG 3.01Å; S308-S505 VanDerWaalsContact OG-OG 3.1Å; S308-C506 WeakPolarHBondContact OG-CB 3.21Å; S308-C506 PolarHBondContact OG-N 3.47Å; S308-C506 PolarHBondContact OG-SG 2.73Å
309Q92Very high85.5Confident12 Ų1235.4 Ų35.46%0.05617%0.166CC..Hα-helixtrans-62.9-45.7173.2-71.117351.700110.3A305 S306 E311 I312 L313 D340 L489 L504A305-Q309 VanDerWaalsContact O-CG 3.26Å; A305-Q309 WeakPolarHBondContact O-CG 3.46Å; A305-Q309 PolarHBondContact O-N 2.96Å; A305-Q309 PolarHBondContact O-NE2 2.84Å; S306-Q309 PolarHBondContact O-N 3.05Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 3.34Å; Q309-I312 PolarHBondContact O-N 2.99Å; Q309-I312 VanDerWaalsContact O-N 3.14Å; Q309-L313 WeakPolarHBondContact O-CG 3.5Å; Q309-L313 PolarHBondContact O-N 3.48Å; Q309-D340 PolarHBondContact NE2-OD2 2.84Å; Q309-L489 HydrophobicContact CB-CD2 3.87Å; Q309-L489 HydrophobicContact CG-CD2 4.11Å; Q309-L504 HydrophobicContact CG-CD1 3.89Å; Q309-L504 HydrophobicContact CG-CD2 4.14Å
310Y87.6Confident84.4Confident26 Ų2636.7 Ų36.710%0.10217%0.174CC..Hα-helixtrans-57.5-43.8175.5176.1-82.9000112.5R77 S306 M307 I312 L313 V314 P320 T348R77-Y310 VanDerWaalsContact NH1-CZ 3.27Å; R77-Y310 PolarHBondContact NH2-OH 3.19Å; S306-Y310 PolarHBondContact O-N 3Å; M307-Y310 WeakPolarHBondContact O-CB 3.07Å; M307-Y310 PolarHBondContact O-N 3.42Å; Y310-I312 PolarHBondContact O-N 2.8Å; Y310-L313 PolarHBondContact O-N 3.47Å; Y310-L313 VanDerWaalsContact O-N 3.17Å; Y310-V314 HydrophobicContact CD1-CB 4.28Å; Y310-V314 HydrophobicContact CD1-CG2 4.25Å; Y310-V314 HydrophobicContact CD2-CG2 3.71Å; Y310-V314 HydrophobicContact CE1-CB 3.62Å; Y310-V314 HydrophobicContact CE1-CG1 4.07Å; Y310-V314 HydrophobicContact CE1-CG2 3.67Å; Y310-V314 HydrophobicContact CE2-CB 4.05Å; Y310-V314 HydrophobicContact CE2-CG2 3.12Å; Y310-V314 HydrophobicContact CG-CG2 4.28Å; Y310-V314 PolarHBondContact O-N 2.86Å; Y310-P320 HydrophobicContact CE2-CG 4.11Å; Y310-T348 HydrophobicContact CD2-CG2 3.38Å; Y310-T348 HydrophobicContact CE2-CG2 2.96Å; Y310-T348 HydrophobicContact CG-CG2 4.24Å
311E86.9Confident83.2Confident69 Ų6936.3 Ų36.332%0.32218%0.179SC..Hα-helixtrans-56.5-32.2178.4-76.9174.6-176.300112.8M307 S308 Q309 S505M307-E311 WeakPolarHBondContact O-CG 3.33Å; M307-E311 PolarHBondContact O-N 2.88Å; S308-E311 PolarHBondContact O-N 3.06Å; Q309-E311 VanDerWaalsContact C-N 3.33Å; Q309-E311 PolarHBondContact O-N 3.34Å; E311-S505 VanDerWaalsContact OE2-CB 3.31Å; E311-S505 WeakPolarHBondContact OE2-CB 3.32Å; E311-S505 PolarHBondContact OE2-OG 3.45Å
312I85Confident82.1Confident28 Ų2841.9 Ų41.914%0.14421%0.208CC..Hα-helixtrans-82.9-38.4178-68.8171.2000111.7S308 Q309 Y310 L489 L504S308-I312 PolarHBondContact O-N 3.37Å; Q309-I312 PolarHBondContact O-N 2.99Å; Q309-I312 VanDerWaalsContact O-N 3.14Å; Y310-I312 PolarHBondContact O-N 2.8Å; I312-L489 HydrophobicContact CB-CD2 4.16Å; I312-L489 HydrophobicContact CB-CG 4.48Å; I312-L489 HydrophobicContact CD1-CB 3.99Å; I312-L489 HydrophobicContact CG2-CB 4.2Å; I312-L489 HydrophobicContact CG2-CD2 4.07Å; I312-L489 HydrophobicContact CG2-CG 3.92Å; I312-L504 HydrophobicContact CD1-CD2 3.49Å; I312-L504 VanDerWaalsContact CD1-CD2 3.49Å
313L80.3Confident81.1Confident23 Ų2343.4 Ų43.412%0.1222%0.224CC..Hα-helixtrans-73.5-32.6-179.3-66.1178000112.3Q309 Y310 D315 L450 L452 L489Q309-L313 WeakPolarHBondContact O-CG 3.5Å; Q309-L313 PolarHBondContact O-N 3.48Å; Y310-L313 PolarHBondContact O-N 3.47Å; Y310-L313 VanDerWaalsContact O-N 3.17Å; L313-D315 PolarHBondContact O-N 3.44Å; L313-L450 HydrophobicContact CB-CD2 4.1Å; L313-L450 HydrophobicContact CD1-CD2 4.12Å; L313-L450 HydrophobicContact CD2-CD1 4.22Å; L313-L450 HydrophobicContact CD2-CD2 3.8Å; L313-L450 HydrophobicContact CG-CD2 4.2Å; L313-L452 HydrophobicContact CD1-CD1 4.05Å; L313-L452 HydrophobicContact CD2-CD1 4.18Å; L313-L489 HydrophobicContact CD1-CD2 4.26Å; L313-L489 HydrophobicContact CD2-CD2 3.77Å; L313-L489 HydrophobicContact CD2-CG 4.36Å; L313-L489 HydrophobicContact CG-CD2 3.73Å
314V77Confident80.7Confident33 Ų3346.5 Ų46.520%0.224%0.24CC..SBendtrans-93.596.7179.41770000110.9Y310 F318 P320Y310-V314 HydrophobicContact CD1-CB 4.28Å; Y310-V314 HydrophobicContact CD1-CG2 4.25Å; Y310-V314 HydrophobicContact CD2-CG2 3.71Å; Y310-V314 HydrophobicContact CE1-CB 3.62Å; Y310-V314 HydrophobicContact CE1-CG1 4.07Å; Y310-V314 HydrophobicContact CE1-CG2 3.67Å; Y310-V314 HydrophobicContact CE2-CB 4.05Å; Y310-V314 HydrophobicContact CE2-CG2 3.12Å; Y310-V314 HydrophobicContact CG-CG2 4.28Å; Y310-V314 PolarHBondContact O-N 2.86Å; V314-F318 CarbonylContact C-O 3.51Å; V314-F318 VanDerWaalsContact CA-O 3.23Å; V314-F318 WeakPolarHBondContact CA-O 3.44Å; V314-F318 HydrophobicContact CG2-CD1 4.18Å; V314-F318 HydrophobicContact CG2-CE1 4.39Å; V314-P320 HydrophobicContact CG2-CG 4.06Å
315D73.3Confident80.5Confident39 Ų3946.6 Ų46.621%0.20924%0.241CC..SBendtrans-129.3-163.2-17966.917.2000110.8L313 H317 F318 S492L313-D315 PolarHBondContact O-N 3.44Å; D315-H317 PolarHBondContact O-N 3.44Å; D315-H317 WeakPolarHBondContact OD1-CA 3.38Å; D315-H317 WeakPolarHBondContact OD1-CB 2.89Å; D315-H317 PolarHBondContact OD1-N 3.02Å; D315-F318 PolarHBondContact N-O 3.36Å; D315-F318 CarbonylContact O-C 3.54Å; D315-F318 VanDerWaalsContact O-O 3.11Å; D315-F318 PolarHBondContact OD1-N 3.18Å; D315-S492 PolarHBondContact OD1-OG 3.05Å; D315-S492 WeakPolarHBondContact OD2-CB 3.29Å; D315-S492 PolarHBondContact OD2-OG 3.38Å
316R58.2Low80.5Confident239 Ų23946.7 Ų46.790%0.90224%0.242SC*.SBendtrans-67.5-16.3177.9-69.4-174.2177.1-170.5-0.2113.9
317H60.8Low80.7Confident90 Ų9046.8 Ų46.842%0.41724%0.242SC..SBendtrans-103.1-26.3-176.5-58.8-65000112.7D315 S492D315-H317 PolarHBondContact O-N 3.44Å; D315-H317 WeakPolarHBondContact OD1-CA 3.38Å; D315-H317 WeakPolarHBondContact OD1-CB 2.89Å; D315-H317 PolarHBondContact OD1-N 3.02Å; H317-S492 WeakPolarHBondContact CB-OG 3.34Å
318F67Low81Confident9 Ų946.3 Ų46.34%0.03924%0.24CC..  trans-131.3113.1170.9-176.6-96.9000110.8V314 D315 P320 V382 R449 L450V314-F318 CarbonylContact C-O 3.51Å; V314-F318 VanDerWaalsContact CA-O 3.23Å; V314-F318 WeakPolarHBondContact CA-O 3.44Å; V314-F318 HydrophobicContact CG2-CD1 4.18Å; V314-F318 HydrophobicContact CG2-CE1 4.39Å; D315-F318 PolarHBondContact N-O 3.36Å; D315-F318 CarbonylContact O-C 3.54Å; D315-F318 VanDerWaalsContact O-O 3.11Å; D315-F318 PolarHBondContact OD1-N 3.18Å; F318-P320 HydrophobicContact CE1-CG 4.38Å; F318-V382 HydrophobicContact CE1-CG2 4.2Å; F318-V382 HydrophobicContact CE2-CG2 3.77Å; F318-V382 HydrophobicContact CZ-CG2 3.32Å; F318-R449 HydrophobicContact CD2-CB 3.81Å; F318-R449 HydrophobicContact CE2-CB 3.86Å; F318-L450 HydrophobicContact CD1-CD2 4.19Å; F318-L450 HydrophobicContact CD2-CB 4.23Å; F318-L450 HydrophobicContact CE1-CD2 4.32Å; F318-L450 HydrophobicContact CE2-CB 4.37Å; F318-L450 HydrophobicContact CG-CD2 4.47Å
319S74.5Confident81.1Confident70 Ų7046.2 Ų46.249%0.4924%0.239SC..  trans-126.9132.1168.1-167.50000108.4T321 R449S319-T321 PolarHBondContact O-N 3.14Å; S319-T321 VanDerWaalsContact O-N 3.16Å; S319-R449 PolarHBondContact O-NH1 3.41Å; S319-R449 PolarHBondContact O-NH2 2.98Å
320P73.6Confident81.2Confident29 Ų2945.9 Ų45.919%0.18824%0.237CC..  trans-54.6122.2175-26.434.8000110.2Y310 V314 F318 D325 I350Y310-P320 HydrophobicContact CE2-CG 4.11Å; V314-P320 HydrophobicContact CG2-CG 4.06Å; F318-P320 HydrophobicContact CE1-CG 4.38Å; P320-D325 VanDerWaalsContact CA-OD2 3.32Å; P320-D325 WeakPolarHBondContact CA-OD2 3.22Å; P320-I350 HydrophobicContact CB-CD1 4.44Å; P320-I350 HydrophobicContact CB-CG1 4.32Å; P320-I350 HydrophobicContact CG-CD1 4.28Å
321T72Confident81.5Confident67 Ų6745.2 Ų45.241%0.41124%0.236SC..  trans-83.6125.7177.3-29.10000106.6S319 G323 D324 D325 R449S319-T321 PolarHBondContact O-N 3.14Å; S319-T321 VanDerWaalsContact O-N 3.16Å; T321-G323 PolarHBondContact O-N 3.11Å; T321-D324 HydrophobicContact CG2-CB 4.49Å; T321-D324 PolarHBondContact O-N 3.13Å; T321-D325 PolarHBondContact N-OD2 2.9Å; T321-D325 PolarHBondContact OG1-OD2 3.46Å; T321-D325 VanDerWaalsContact OG1-OD2 3.11Å; T321-R449 PolarHBondContact OG1-NH1 3.06Å
322D75.3Confident81.7Confident128 Ų12843.2 Ų43.268%0.68423%0.229SC*.THydrogen-bonded Turntrans-57.7103.3-166.4-166.739.3000112.8K98 D324K98-D322 IonicContact NZ-OD1 3.81Å; K98-D322 PolarHBondContact NZ-OD1 2.9Å; K98-D322 IonicContact NZ-OD2 3.91Å; K98-D322 PolarHBondContact NZ-OD2 3.26Å; D322-D324 PolarHBondContact O-N 2.81Å
323G75.3Confident82.1Confident32 Ų3242 Ų4233%0.3322%0.222SC..THydrogen-bonded Turntrans78.83179.400000117.1T321T321-G323 PolarHBondContact O-N 3.11Å
324D87.4Confident82.6Confident70 Ų7041.2 Ų41.237%0.37422%0.219SC..THydrogen-bonded Turntrans-103.1-27.7-176.6-170.736.1000113.4T321 D322 R447T321-D324 HydrophobicContact CG2-CB 4.49Å; T321-D324 PolarHBondContact O-N 3.13Å; D322-D324 PolarHBondContact O-N 2.81Å; D324-R447 PolarHBondContact O-NH1 3.34Å; D324-R447 PolarHBondContact O-NH2 3.12Å; D324-R447 IonicContact OD1-CZ 3.57Å; D324-R447 IonicContact OD1-NH1 2.78Å; D324-R447 PolarHBondContact OD1-NH1 3.39Å; D324-R447 IonicContact OD1-NH2 3.49Å; D324-R447 PolarHBondContact OD1-NH2 2.83Å; D324-R447 IonicContact OD2-CZ 3.38Å; D324-R447 IonicContact OD2-NH1 3.42Å; D324-R447 IonicContact OD2-NH2 2.73Å; D324-R447 PolarHBondContact OD2-NH2 2.79Å
325D93.2Very high83.3Confident3 Ų341 Ų412%0.01622%0.216CC..  trans-70.8143.5-178.8-77.9-64.7000113.2P320 T321 I350 R351 T381 R449P320-D325 VanDerWaalsContact CA-OD2 3.32Å; P320-D325 WeakPolarHBondContact CA-OD2 3.22Å; T321-D325 PolarHBondContact N-OD2 2.9Å; T321-D325 PolarHBondContact OG1-OD2 3.46Å; T321-D325 VanDerWaalsContact OG1-OD2 3.11Å; D325-I350 HydrophobicContact CB-CD1 4.41Å; D325-I350 HydrophobicContact CB-CG1 3.94Å; D325-I350 HydrophobicContact CB-CG2 4.21Å; D325-R351 WeakPolarHBondContact O-CG 3.26Å; D325-R351 PolarHBondContact O-N 3.06Å; D325-T381 VanDerWaalsContact CA-OG1 3.3Å; D325-T381 WeakPolarHBondContact CA-OG1 3.24Å; D325-T381 VanDerWaalsContact CB-OG1 3.3Å; D325-T381 WeakPolarHBondContact CB-OG1 2.75Å; D325-T381 WeakPolarHBondContact OD1-CB 3.29Å; D325-T381 VanDerWaalsContact OD1-CG2 3.31Å; D325-T381 WeakPolarHBondContact OD1-CG2 3.45Å; D325-T381 PolarHBondContact OD1-OG1 2.73Å; D325-R449 IonicContact OD1-CZ 3.68Å; D325-R449 IonicContact OD1-NH1 3.98Å; D325-R449 PolarHBondContact OD1-NH1 3.23Å; D325-R449 IonicContact OD2-NH1 2.92Å; D325-R449 PolarHBondContact OD2-NH1 3.44Å
326V95.8Very high84.3Confident1 Ų139.2 Ų39.21%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-133.6127.8-176.8176.20000109.3R351 L378 T381 V382V326-R351 WeakPolarHBondContact CA-O 3.46Å; V326-R351 HydrophobicContact CB-CG 4.42Å; V326-R351 HydrophobicContact CG2-CG 3.79Å; V326-L378 HydrophobicContact CG1-CB 4.17Å; V326-L378 HydrophobicContact CG1-CD2 4.12Å; V326-T381 PolarHBondContact N-OG1 2.94Å; V326-T381 PolarHBondContact O-N 2.95Å; V326-T381 PolarHBondContact O-OG1 3.02Å; V326-V382 PolarHBondContact O-N 2.8Å
327Y96.5Very high86Confident3 Ų328.5 Ų28.51%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-98.4141.5167-178.2-108.1000110E338 A341 E342 C345 R351 I352 G353 V382 A384Y327-E338 PolarHBondContact OH-OE2 3.1Å; Y327-A341 HydrophobicContact CE1-CB 4.42Å; Y327-A341 HydrophobicContact CE2-CB 4.24Å; Y327-A341 WeakPolarHBondContact OH-CB 3.45Å; Y327-E342 HydrophobicContact CD1-CG 4.41Å; Y327-E342 HydrophobicContact CE1-CG 4.01Å; Y327-C345 VanDerWaalsContact CB-SG 3.54Å; Y327-R351 PolarHBondContact N-O 3.5Å; Y327-I352 HydrophobicContact CD1-CG1 4.16Å; Y327-I352 HydrophobicContact CD1-CG2 4.04Å; Y327-I352 WeakPolarHBondContact O-CA 3.45Å; Y327-G353 PolarHBondContact O-N 3.47Å; Y327-V382 HydrophobicContact CD2-CB 4.32Å; Y327-V382 HydrophobicContact CD2-CG1 4.25Å; Y327-A384 HydrophobicContact CE2-CB 4.13Å; Y327-A384 VanDerWaalsContact OH-CB 3.22Å; Y327-A384 WeakPolarHBondContact OH-CB 3.39Å
328V96.5Very high87.6Confident0 Ų024.2 Ų24.20%015%0.147CC..EExtended strand (participates in β ladder)trans-103.3107.3171.757.90000109.5Y330 G353 S355 L360 L378 P380 I383V328-Y330 HydrophobicContact CG1-CD1 4.49Å; V328-G353 CarbonylContact C-O 3.56Å; V328-G353 WeakPolarHBondContact CA-O 3.33Å; V328-S355 VanDerWaalsContact CG2-CB 3.45Å; V328-L360 HydrophobicContact CG1-CD1 4.37Å; V328-L360 HydrophobicContact CG2-CD1 3.82Å; V328-L378 HydrophobicContact CB-CD1 3.9Å; V328-L378 HydrophobicContact CG2-CD1 3.69Å; V328-P380 HydrophobicContact CB-CB 4.25Å; V328-P380 HydrophobicContact CB-CG 4.48Å; V328-P380 HydrophobicContact CG1-CB 4.02Å; V328-P380 HydrophobicContact CG1-CG 4.03Å; V328-I383 HydrophobicContact CG1-CB 4.1Å; V328-I383 HydrophobicContact CG1-CD1 3.56Å; V328-I383 HydrophobicContact CG1-CG1 3.58Å
329G96.1Very high89Confident0 Ų024.2 Ų24.20%015%0.148CC..EExtended strand (participates in β ladder)trans-86.5109.8179.600000110.5E338 G353 Y354 S355G329-E338 WeakPolarHBondContact CA-OE1 3.43Å; G329-G353 PolarHBondContact N-O 3.23Å; G329-Y354 CarbonylContact O-C 2.8Å; G329-Y354 WeakPolarHBondContact O-CA 3.17Å; G329-S355 PolarHBondContact O-N 3.04Å
330Y93.7Very high89.9Confident5 Ų520.9 Ų20.92%0.0213%0.125CC..  trans-144.7-12.6-176.280.2-84.5000114.2V328 E338 S355 P357 L360 I383 A384V328-Y330 HydrophobicContact CG1-CD1 4.49Å; Y330-E338 PolarHBondContact N-OE1 3.27Å; Y330-S355 VanDerWaalsContact CA-O 3.22Å; Y330-S355 WeakPolarHBondContact CA-O 3.4Å; Y330-S355 VanDerWaalsContact CB-O 3.26Å; Y330-S355 WeakPolarHBondContact CB-O 3.46Å; Y330-P357 HydrophobicContact CD2-CG 4Å; Y330-P357 HydrophobicContact CE2-CG 4.47Å; Y330-L360 HydrophobicContact CD1-CD1 3.91Å; Y330-L360 HydrophobicContact CE1-CD1 4.32Å; Y330-L360 HydrophobicContact CE1-CD2 4.35Å; Y330-L360 HydrophobicContact CE2-CD2 4.26Å; Y330-L360 HydrophobicContact CG-CD1 4.06Å; Y330-I383 HydrophobicContact CE1-CD1 3.9Å; Y330-I383 HydrophobicContact CE1-CG1 3.9Å; Y330-A384 VanDerWaalsContact CE1-O 3.31Å; Y330-A384 WeakPolarHBondContact CE1-O 3.41Å; Y330-A384 PolarHBondContact OH-O 2.72Å
331L92.2Very high90.9Very high12 Ų1220 Ų206%0.06312%0.12CC..SBendtrans-77.8157.1172.2-61.5173.2000108.5T164 L333 L337 E338 A384 V386T164-L331 WeakPolarHBondContact CB-O 3.21Å; T164-L331 PolarHBondContact OG1-O 3.17Å; L331-L333 PolarHBondContact O-N 2.87Å; L331-L337 HydrophobicContact CD1-CD2 4.12Å; L331-E338 HydrophobicContact CB-CB 4.04Å; L331-E338 HydrophobicContact CB-CG 4.17Å; L331-E338 PolarHBondContact N-OE1 2.98Å; L331-E338 VanDerWaalsContact N-OE1 3.08Å; L331-E338 WeakPolarHBondContact O-CG 3.23Å; L331-A384 HydrophobicContact CD1-CB 4.13Å; L331-V386 HydrophobicContact CD2-CG1 4.27Å
332P91.4Very high92.1Very high27 Ų2716.8 Ų16.818%0.17510%0.1CC..  trans-64.1126.7178.4-22.634.5000111.9T164 Y186 A334 H335 E338 E698T164-P332 WeakPolarHBondContact OG1-CA 3.49Å; Y186-P332 HydrophobicContact CD1-CB 4.11Å; Y186-P332 HydrophobicContact CD1-CG 4.41Å; Y186-P332 HydrophobicContact CE1-CB 3.84Å; Y186-P332 HydrophobicContact CE1-CG 4.11Å; P332-A334 PolarHBondContact O-N 3.43Å; P332-H335 WeakPolarHBondContact O-CA 3.28Å; P332-H335 VanDerWaalsContact O-CB 3.29Å; P332-H335 WeakPolarHBondContact O-CB 3.38Å; P332-H335 PolarHBondContact O-N 3.42Å; P332-E338 WeakPolarHBondContact O-CB 3.37Å; P332-E698 HydrophobicContact CG-CB 3.98Å
333L95Very high93Very high1 Ų111.1 Ų11.11%0.0057%0.07CC..THydrogen-bonded Turntrans-68.9-12.2171.3-83.8168.9000112.3T164 W168 L169 L331 H335 E338 V339 E342 Y354T164-L333 HydrophobicContact CG2-CD1 3.69Å; T164-L333 HydrophobicContact CG2-CG 3.81Å; T164-L333 PolarHBondContact OG1-N 3.2Å; W168-L333 HydrophobicContact CB-CD1 4.33Å; W168-L333 HydrophobicContact CD2-CB 3.69Å; W168-L333 HydrophobicContact CD2-CD1 3.73Å; W168-L333 HydrophobicContact CD2-CG 4.32Å; W168-L333 HydrophobicContact CE3-CB 3.6Å; W168-L333 HydrophobicContact CE3-CD1 3.29Å; W168-L333 HydrophobicContact CE3-CD2 4.35Å; W168-L333 HydrophobicContact CE3-CG 3.93Å; W168-L333 HydrophobicContact CG-CD1 4.17Å; W168-L333 HydrophobicContact CH2-CB 3.57Å; W168-L333 WeakPolarHBondContact CH2-O 3.4Å; W168-L333 HydrophobicContact CZ2-CB 3.62Å; W168-L333 HydrophobicContact CZ3-CB 3.56Å; W168-L333 HydrophobicContact CZ3-CD1 3.86Å; W168-L333 HydrophobicContact CZ3-CD2 4.07Å; W168-L333 HydrophobicContact CZ3-CG 4.04Å; L169-L333 HydrophobicContact CB-CD1 4.34Å; L331-L333 PolarHBondContact O-N 2.87Å; L333-H335 PolarHBondContact O-N 3.18Å; L333-E338 HydrophobicContact CD2-CB 4.22Å; L333-E338 HydrophobicContact CD2-CG 3.79Å; L333-E338 HydrophobicContact CG-CG 3.98Å; L333-V339 HydrophobicContact CD2-CG2 4.06Å; L333-V339 WeakPolarHBondContact O-CG2 3.24Å; L333-E342 HydrophobicContact CD2-CG 4.33Å; L333-Y354 HydrophobicContact CD1-CE1 4.48Å
334A90.7Very high93.8Very high8 Ų810.2 Ų10.27%0.0666%0.058CC..THydrogen-bonded Turntrans-70.8-1.3163.100000113.5Y186 P332Y186-A334 HydrophobicContact CD1-CB 4.2Å; Y186-A334 HydrophobicContact CD2-CB 4.36Å; Y186-A334 HydrophobicContact CE1-CB 4.34Å; Y186-A334 HydrophobicContact CE2-CB 4.48Å; Y186-A334 HydrophobicContact CG-CB 4.21Å; P332-A334 PolarHBondContact O-N 3.43Å
335H90.8Very high94.1Very high27 Ų277.2 Ų7.213%0.1254%0.043CC..SBendtrans-115.2129174.3-168.2-69.8000109.8Y186 P332 L333 L337 E338 V339Y186-H335 WeakPolarHBondContact OH-CB 3.14Å; Y186-H335 PolarHBondContact OH-CD2 3.25Å; P332-H335 WeakPolarHBondContact O-CA 3.28Å; P332-H335 VanDerWaalsContact O-CB 3.29Å; P332-H335 WeakPolarHBondContact O-CB 3.38Å; P332-H335 PolarHBondContact O-N 3.42Å; L333-H335 PolarHBondContact O-N 3.18Å; H335-L337 WeakPolarHBondContact ND1-CB 3.41Å; H335-L337 PolarHBondContact ND1-N 3.24Å; H335-L337 PolarHBondContact O-N 2.95Å; H335-E338 PolarHBondContact O-N 3.21Å; H335-V339 PolarHBondContact O-N 3.33Å
336V94.8Very high94.1Very high3 Ų37.3 Ų7.32%0.0184%0.043CC..Hα-helixtrans-53.9-34.2-173.771.20000114.6M283 L297 L302 E338 V339 D340 S484 G485M283-V336 HydrophobicContact CE-CB 4.18Å; M283-V336 HydrophobicContact CE-CG2 4.28Å; M283-V336 HydrophobicContact SD-CB 3.65Å; M283-V336 HydrophobicContact SD-CG2 4.13Å; L297-V336 HydrophobicContact CD1-CG2 4.4Å; L302-V336 HydrophobicContact CD2-CG2 4.19Å; V336-E338 VanDerWaalsContact C-N 3.31Å; V336-E338 PolarHBondContact O-N 2.85Å; V336-V339 WeakPolarHBondContact O-CB 3.18Å; V336-V339 PolarHBondContact O-N 2.77Å; V336-D340 PolarHBondContact O-N 3.21Å; V336-S484 VanDerWaalsContact CG2-C 3.45Å; V336-G485 VanDerWaalsContact CG1-CA 3.5Å
337L92.9Very high93.8Very high14 Ų147.7 Ų7.77%0.0735%0.046CC..Hα-helixtrans-54.3-43.3176-179.562.6000113.3L331 H335 A341 V386 L452L331-L337 HydrophobicContact CD1-CD2 4.12Å; H335-L337 WeakPolarHBondContact ND1-CB 3.41Å; H335-L337 PolarHBondContact ND1-N 3.24Å; H335-L337 PolarHBondContact O-N 2.95Å; L337-A341 WeakPolarHBondContact O-CB 3.48Å; L337-A341 PolarHBondContact O-N 3.22Å; L337-A341 VanDerWaalsContact O-N 3.12Å; L337-V386 HydrophobicContact CD2-CG1 4.46Å; L337-L452 HydrophobicContact CD1-CD2 3.72Å
338E95Very high93.3Very high0 Ų08 Ų80%05%0.048CC..Hα-helixtrans-74.7-36.4179.8-169.175.1149.300110.8Y327 G329 Y330 L331 P332 L333 H335 V336 A341 E342Y327-E338 PolarHBondContact OH-OE2 3.1Å; G329-E338 WeakPolarHBondContact CA-OE1 3.43Å; Y330-E338 PolarHBondContact N-OE1 3.27Å; L331-E338 HydrophobicContact CB-CB 4.04Å; L331-E338 HydrophobicContact CB-CG 4.17Å; L331-E338 PolarHBondContact N-OE1 2.98Å; L331-E338 VanDerWaalsContact N-OE1 3.08Å; L331-E338 WeakPolarHBondContact O-CG 3.23Å; P332-E338 WeakPolarHBondContact O-CB 3.37Å; L333-E338 HydrophobicContact CD2-CB 4.22Å; L333-E338 HydrophobicContact CD2-CG 3.79Å; L333-E338 HydrophobicContact CG-CG 3.98Å; H335-E338 PolarHBondContact O-N 3.21Å; V336-E338 VanDerWaalsContact C-N 3.31Å; V336-E338 PolarHBondContact O-N 2.85Å; E338-A341 PolarHBondContact O-N 2.8Å; E338-E342 HydrophobicContact CG-CG 4.35Å; E338-E342 WeakPolarHBondContact O-CB 3.47Å; E338-E342 WeakPolarHBondContact O-CG 3.42Å; E338-E342 PolarHBondContact O-N 3.3Å
339V95.9Very high93Very high8 Ų88.3 Ų8.35%0.0485%0.051CC..Hα-helixtrans-58.7-50.2174.3176.30000110.6M281 M283 L302 L333 H335 V336 A341 E342 L343M281-V339 HydrophobicContact CE-CG2 4.23Å; M281-V339 HydrophobicContact SD-CG1 3.95Å; M281-V339 HydrophobicContact SD-CG2 4.33Å; M283-V339 HydrophobicContact CE-CB 4.17Å; M283-V339 HydrophobicContact CE-CG1 4.43Å; M283-V339 HydrophobicContact CE-CG2 3.63Å; L302-V339 HydrophobicContact CD2-CG1 4.21Å; L333-V339 HydrophobicContact CD2-CG2 4.06Å; L333-V339 WeakPolarHBondContact O-CG2 3.24Å; H335-V339 PolarHBondContact O-N 3.33Å; V336-V339 WeakPolarHBondContact O-CB 3.18Å; V336-V339 PolarHBondContact O-N 2.77Å; V339-A341 VanDerWaalsContact C-N 3.35Å; V339-A341 PolarHBondContact O-N 2.87Å; V339-E342 PolarHBondContact O-N 2.9Å; V339-L343 HydrophobicContact CG1-CD1 3.89Å; V339-L343 HydrophobicContact CG1-CG 4.27Å; V339-L343 WeakPolarHBondContact O-CB 3.32Å; V339-L343 VanDerWaalsContact O-CG 3.23Å; V339-L343 WeakPolarHBondContact O-CG 3.36Å; V339-L343 PolarHBondContact O-N 3.23Å
340D94.3Very high92.9Very high0 Ų08.8 Ų8.80%05%0.054CC..Hα-helixtrans-59.6-44.7177.1-82.3-8.5000112.2Q309 V336 L343 C344 G485Q309-D340 PolarHBondContact NE2-OD2 2.84Å; V336-D340 PolarHBondContact O-N 3.21Å; D340-L343 PolarHBondContact O-N 2.69Å; D340-C344 WeakPolarHBondContact O-CB 3.41Å; D340-C344 PolarHBondContact O-N 2.82Å; D340-C344 PolarHBondContact O-SG 3.13Å; D340-G485 WeakPolarHBondContact OD2-CA 3.13Å
341A94.3Very high93Very high11 Ų1111 Ų119%0.0916%0.062CC..Hα-helixtrans-63-46.4-179.500000111.5Y327 L337 E338 V339 C344 C345 A384Y327-A341 HydrophobicContact CE1-CB 4.42Å; Y327-A341 HydrophobicContact CE2-CB 4.24Å; Y327-A341 WeakPolarHBondContact OH-CB 3.45Å; L337-A341 WeakPolarHBondContact O-CB 3.48Å; L337-A341 PolarHBondContact O-N 3.22Å; L337-A341 VanDerWaalsContact O-N 3.12Å; E338-A341 PolarHBondContact O-N 2.8Å; V339-A341 VanDerWaalsContact C-N 3.35Å; V339-A341 PolarHBondContact O-N 2.87Å; A341-C344 WeakPolarHBondContact O-CB 3.47Å; A341-C344 PolarHBondContact O-N 2.58Å; A341-C345 PolarHBondContact O-N 3.04Å; A341-C345 PolarHBondContact O-SG 2.64Å; A341-A384 HydrophobicContact CB-CB 4.42Å
342E96.1Very high93.3Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-68.9-39.1178.7-69.9-166.9-151.400111.8L169 Y327 L333 E338 V339 C344 C345 L346 I352 Y354L169-E342 WeakPolarHBondContact CD2-OE2 3.37Å; Y327-E342 HydrophobicContact CD1-CG 4.41Å; Y327-E342 HydrophobicContact CE1-CG 4.01Å; L333-E342 HydrophobicContact CD2-CG 4.33Å; E338-E342 HydrophobicContact CG-CG 4.35Å; E338-E342 WeakPolarHBondContact O-CB 3.47Å; E338-E342 WeakPolarHBondContact O-CG 3.42Å; E338-E342 PolarHBondContact O-N 3.3Å; V339-E342 PolarHBondContact O-N 2.9Å; E342-C344 VanDerWaalsContact C-N 3.34Å; E342-C344 PolarHBondContact O-N 2.97Å; E342-C345 PolarHBondContact O-N 3.42Å; E342-C345 VanDerWaalsContact O-N 3.16Å; E342-L346 WeakPolarHBondContact O-CG 3.26Å; E342-L346 PolarHBondContact O-N 3.08Å; E342-I352 HydrophobicContact CB-CD1 3.86Å; E342-I352 HydrophobicContact CG-CD1 3.91Å; E342-I352 HydrophobicContact CG-CG2 4.46Å; E342-Y354 WeakPolarHBondContact OE1-CE1 3.44Å; E342-Y354 PolarHBondContact OE2-OH 3.28Å
343L94.8Very high93.6Very high9 Ų99.1 Ų9.15%0.0475%0.051CC..Hα-helixtrans-62.3-39.7173.6-72.6-179.7000112.4I84 L302 V339 D340 S347I84-L343 HydrophobicContact CD1-CD1 4.3Å; I84-L343 HydrophobicContact CG2-CD2 3.7Å; L302-L343 HydrophobicContact CB-CD1 4.24Å; V339-L343 HydrophobicContact CG1-CD1 3.89Å; V339-L343 HydrophobicContact CG1-CG 4.27Å; V339-L343 WeakPolarHBondContact O-CB 3.32Å; V339-L343 VanDerWaalsContact O-CG 3.23Å; V339-L343 WeakPolarHBondContact O-CG 3.36Å; V339-L343 PolarHBondContact O-N 3.23Å; D340-L343 PolarHBondContact O-N 2.69Å; L343-S347 VanDerWaalsContact O-CB 3.31Å; L343-S347 WeakPolarHBondContact O-CB 3.22Å; L343-S347 PolarHBondContact O-N 3.41Å; L343-S347 PolarHBondContact O-OG 3.25Å
344C92Very high93.8Very high13 Ų139.1 Ų9.19%0.0885%0.051CC..Hα-helixtrans-60.8-45.6171.9-72.60000111.4S306 D340 A341 E342 S347 T348S306-C344 PolarHBondContact O-SG 3.48Å; D340-C344 WeakPolarHBondContact O-CB 3.41Å; D340-C344 PolarHBondContact O-N 2.82Å; D340-C344 PolarHBondContact O-SG 3.13Å; A341-C344 WeakPolarHBondContact O-CB 3.47Å; A341-C344 PolarHBondContact O-N 2.58Å; E342-C344 VanDerWaalsContact C-N 3.34Å; E342-C344 PolarHBondContact O-N 2.97Å; C344-S347 PolarHBondContact O-N 2.94Å; C344-T348 WeakPolarHBondContact O-CB 3.49Å; C344-T348 WeakPolarHBondContact O-CG2 3.29Å; C344-T348 PolarHBondContact O-N 3.49Å; C344-T348 PolarHBondContact O-OG1 3.19Å
345C93.2Very high94Very high7 Ų78.7 Ų8.75%0.0475%0.048CC..Hα-helixtrans-63.6-48.3-179.1-68.20000111.6Y327 A341 E342 S347 T348 G349 I350 I352Y327-C345 VanDerWaalsContact CB-SG 3.54Å; A341-C345 PolarHBondContact O-N 3.04Å; A341-C345 PolarHBondContact O-SG 2.64Å; E342-C345 PolarHBondContact O-N 3.42Å; E342-C345 VanDerWaalsContact O-N 3.16Å; C345-S347 VanDerWaalsContact C-N 3.3Å; C345-S347 PolarHBondContact O-N 3.28Å; C345-T348 PolarHBondContact O-N 2.91Å; C345-T348 VanDerWaalsContact O-N 3.11Å; C345-T348 PolarHBondContact O-OG1 3.16Å; C345-T348 VanDerWaalsContact O-OG1 3.05Å; C345-G349 PolarHBondContact O-N 3.14Å; C345-G349 VanDerWaalsContact O-N 3.13Å; C345-I350 HydrophobicContact CB-CB 3.95Å; C345-I350 HydrophobicContact CB-CG2 4.21Å; C345-I350 PolarHBondContact O-N 2.98Å; C345-I350 VanDerWaalsContact O-N 3.09Å; C345-I352 HydrophobicContact CB-CD1 3.96Å; C345-I352 HydrophobicContact CB-CG1 3.85Å
346L93.3Very high93.9Very high4 Ų47.8 Ų7.82%0.0214%0.044CC..Hα-helixtrans-57.2-43.4176.4-72.7-177.7000112.2F88 S91 C100 L101 Y133 L169 L173 E342 T348 I352F88-L346 HydrophobicContact CD2-CD1 4.24Å; F88-L346 HydrophobicContact CE2-CD2 4.43Å; S91-L346 VanDerWaalsContact CB-O 3.27Å; S91-L346 WeakPolarHBondContact CB-O 3.2Å; S91-L346 PolarHBondContact OG-O 3.34Å; C100-L346 WeakPolarHBondContact SG-CD2 3.4Å; L101-L346 HydrophobicContact CD2-CD2 4.33Å; Y133-L346 HydrophobicContact CE1-CD2 4.26Å; Y133-L346 PolarHBondContact OH-O 2.83Å; L169-L346 HydrophobicContact CD2-CD1 3.8Å; L169-L346 HydrophobicContact CD2-CD2 4.48Å; L169-L346 HydrophobicContact CD2-CG 4.35Å; L173-L346 HydrophobicContact CD1-CD1 4.02Å; L173-L346 HydrophobicContact CD2-CD1 4.21Å; E342-L346 WeakPolarHBondContact O-CG 3.26Å; E342-L346 PolarHBondContact O-N 3.08Å; L346-T348 PolarHBondContact O-N 3.44Å; L346-I352 HydrophobicContact CD2-CD1 4.19Å; L346-I352 HydrophobicContact CG-CD1 4.2Å
347S89.5Confident93.4Very high10 Ų1010.4 Ų10.47%0.076%0.061CC..THydrogen-bonded Turntrans-66.5-11.5-177.8-61.90000114S91 M307 L343 C344 C345S91-S347 WeakPolarHBondContact OG-CA 3.48Å; M307-S347 VanDerWaalsContact CE-OG 3.26Å; M307-S347 WeakPolarHBondContact CE-OG 3.12Å; L343-S347 VanDerWaalsContact O-CB 3.31Å; L343-S347 WeakPolarHBondContact O-CB 3.22Å; L343-S347 PolarHBondContact O-N 3.41Å; L343-S347 PolarHBondContact O-OG 3.25Å; C344-S347 PolarHBondContact O-N 2.94Å; C345-S347 VanDerWaalsContact C-N 3.3Å; C345-S347 PolarHBondContact O-N 3.28Å
348T86.7Confident93.1Very high8 Ų812.9 Ų12.95%0.0497%0.074CC..THydrogen-bonded Turntrans-128.70.8-16661.80000113.3Y95 Y310 C344 C345 L346 I350Y95-T348 VanDerWaalsContact CZ-C 3.5Å; Y95-T348 PolarHBondContact OH-O 2.63Å; Y310-T348 HydrophobicContact CD2-CG2 3.38Å; Y310-T348 HydrophobicContact CE2-CG2 2.96Å; Y310-T348 HydrophobicContact CG-CG2 4.24Å; C344-T348 WeakPolarHBondContact O-CB 3.49Å; C344-T348 WeakPolarHBondContact O-CG2 3.29Å; C344-T348 PolarHBondContact O-N 3.49Å; C344-T348 PolarHBondContact O-OG1 3.19Å; C345-T348 PolarHBondContact O-N 2.91Å; C345-T348 VanDerWaalsContact O-N 3.11Å; C345-T348 PolarHBondContact O-OG1 3.16Å; C345-T348 VanDerWaalsContact O-OG1 3.05Å; L346-T348 PolarHBondContact O-N 3.44Å; T348-I350 VanDerWaalsContact C-N 3.27Å; T348-I350 PolarHBondContact O-N 2.69Å
349G90.9Very high92.9Very high7 Ų712.9 Ų12.97%0.0727%0.074CC..THydrogen-bonded Turntrans78.49.8178.600000113.8Y95 Y133 C345 R351Y95-G349 VanDerWaalsContact CE2-N 3.33Å; Y133-G349 WeakPolarHBondContact OH-CA 3.22Å; C345-G349 PolarHBondContact O-N 3.14Å; C345-G349 VanDerWaalsContact O-N 3.13Å; G349-R351 PolarHBondContact O-N 2.9Å
350I93.9Very high92.6Very high10 Ų1012.9 Ų12.95%0.0517%0.074CC..  trans-74.4124.7172.7-61176.5000107.5P320 D325 C345 T348P320-I350 HydrophobicContact CB-CD1 4.44Å; P320-I350 HydrophobicContact CB-CG1 4.32Å; P320-I350 HydrophobicContact CG-CD1 4.28Å; D325-I350 HydrophobicContact CB-CD1 4.41Å; D325-I350 HydrophobicContact CB-CG1 3.94Å; D325-I350 HydrophobicContact CB-CG2 4.21Å; C345-I350 HydrophobicContact CB-CB 3.95Å; C345-I350 HydrophobicContact CB-CG2 4.21Å; C345-I350 PolarHBondContact O-N 2.98Å; C345-I350 VanDerWaalsContact O-N 3.09Å; T348-I350 VanDerWaalsContact C-N 3.27Å; T348-I350 PolarHBondContact O-N 2.69Å
351R96.4Very high92.3Very high52 Ų5214.5 Ų14.520%0.1968%0.084CC..EExtended strand (participates in β ladder)trans-79.8142179.867.6-170.8160.3156.4-0.8111.1P99 C100 W130 D325 V326 Y327 G349P99-R351 HydrophobicContact CB-CB 4.13Å; P99-R351 VanDerWaalsContact O-CB 3.31Å; P99-R351 WeakPolarHBondContact O-CB 3.37Å; C100-R351 CarbonylContact O-C 3.52Å; C100-R351 WeakPolarHBondContact O-CA 3.36Å; W130-R351 HydrophobicContact CE3-CB 4.14Å; W130-R351 HydrophobicContact CE3-CG 4.36Å; W130-R351 HydrophobicContact CH2-CB 4.09Å; W130-R351 HydrophobicContact CH2-CG 3.63Å; W130-R351 HydrophobicContact CZ2-CG 4.35Å; W130-R351 HydrophobicContact CZ3-CB 3.56Å; W130-R351 HydrophobicContact CZ3-CG 3.64Å; D325-R351 WeakPolarHBondContact O-CG 3.26Å; D325-R351 PolarHBondContact O-N 3.06Å; V326-R351 WeakPolarHBondContact CA-O 3.46Å; V326-R351 HydrophobicContact CB-CG 4.42Å; V326-R351 HydrophobicContact CG2-CG 3.79Å; Y327-R351 PolarHBondContact N-O 3.5Å; G349-R351 PolarHBondContact O-N 2.9Å
352I98.1Very high92Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans-107.9117.4-175.1-59.5162.5000109.2C100 L101 G102 W130 L169 Y327 E342 C345 L346 Y354C100-I352 PolarHBondContact O-N 3.19Å; L101-I352 CarbonylContact C-O 3.57Å; L101-I352 WeakPolarHBondContact CA-O 3.29Å; L101-I352 HydrophobicContact CD2-CB 3.96Å; L101-I352 HydrophobicContact CD2-CD1 3.96Å; L101-I352 HydrophobicContact CD2-CG1 4.45Å; G102-I352 PolarHBondContact N-O 2.99Å; W130-I352 WeakPolarHBondContact CZ3-O 3.5Å; L169-I352 HydrophobicContact CD2-CD1 4.38Å; Y327-I352 HydrophobicContact CD1-CG1 4.16Å; Y327-I352 HydrophobicContact CD1-CG2 4.04Å; Y327-I352 WeakPolarHBondContact O-CA 3.45Å; E342-I352 HydrophobicContact CB-CD1 3.86Å; E342-I352 HydrophobicContact CG-CD1 3.91Å; E342-I352 HydrophobicContact CG-CG2 4.46Å; C345-I352 HydrophobicContact CB-CD1 3.96Å; C345-I352 HydrophobicContact CB-CG1 3.85Å; L346-I352 HydrophobicContact CD2-CD1 4.19Å; L346-I352 HydrophobicContact CG-CD1 4.2Å; I352-Y354 HydrophobicContact CG2-CD1 4.4Å; I352-Y354 HydrophobicContact CG2-CE1 3.96Å; I352-Y354 HydrophobicContact CG2-CE2 4.12Å
353G97.9Very high91.3Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-100.5120.8171.400000111.1Y327 V328 G329Y327-G353 PolarHBondContact O-N 3.47Å; V328-G353 CarbonylContact C-O 3.56Å; V328-G353 WeakPolarHBondContact CA-O 3.33Å; G329-G353 PolarHBondContact N-O 3.23Å
354Y97.6Very high90.8Very high0 Ų026.6 Ų26.60%014%0.143CC..EExtended strand (participates in β ladder)trans-79.5137.8-177.1-68.4-74.2000113.1L101 G102 Y128 T164 A166 L169 G329 L333 E342 I352L101-Y354 HydrophobicContact CB-CE2 4.22Å; L101-Y354 HydrophobicContact CD2-CE2 4.07Å; L101-Y354 HydrophobicContact CG-CE2 4.49Å; G102-Y354 WeakPolarHBondContact O-CD2 3.45Å; G102-Y354 PolarHBondContact O-N 2.73Å; Y128-Y354 WeakPolarHBondContact CE1-O 3.33Å; Y128-Y354 PolarHBondContact OH-O 2.95Å; T164-Y354 HydrophobicContact CG2-CD1 3.67Å; T164-Y354 HydrophobicContact CG2-CE1 3.7Å; A166-Y354 HydrophobicContact CB-CD2 3.85Å; A166-Y354 HydrophobicContact CB-CE2 3.63Å; A166-Y354 VanDerWaalsContact N-CD2 3.29Å; L169-Y354 WeakPolarHBondContact CB-OH 3.47Å; L169-Y354 WeakPolarHBondContact CD2-OH 3.22Å; G329-Y354 CarbonylContact O-C 2.8Å; G329-Y354 WeakPolarHBondContact O-CA 3.17Å; L333-Y354 HydrophobicContact CD1-CE1 4.48Å; E342-Y354 WeakPolarHBondContact OE1-CE1 3.44Å; E342-Y354 PolarHBondContact OE2-OH 3.28Å; I352-Y354 HydrophobicContact CG2-CD1 4.4Å; I352-Y354 HydrophobicContact CG2-CE1 3.96Å; I352-Y354 HydrophobicContact CG2-CE2 4.12Å
355S95Very high90.4Very high0 Ų029.4 Ų29.40%016%0.163CC..  trans-146.3169.4-173.9166.10000110.3R235 Y236 V328 G329 Y330 L360 D374R235-S355 PolarHBondContact NH1-O 3.18Å; R235-S355 PolarHBondContact NH2-O 2.96Å; Y236-S355 WeakPolarHBondContact OH-CA 3.47Å; V328-S355 VanDerWaalsContact CG2-CB 3.45Å; G329-S355 PolarHBondContact O-N 3.04Å; Y330-S355 VanDerWaalsContact CA-O 3.22Å; Y330-S355 WeakPolarHBondContact CA-O 3.4Å; Y330-S355 VanDerWaalsContact CB-O 3.26Å; Y330-S355 WeakPolarHBondContact CB-O 3.46Å; S355-L360 WeakPolarHBondContact OG-CD1 3.29Å; S355-D374 VanDerWaalsContact CA-OD2 3.24Å; S355-D374 WeakPolarHBondContact CA-OD2 3.43Å; S355-D374 WeakPolarHBondContact CB-OD2 3.11Å; S355-D374 WeakPolarHBondContact OG-CB 3.24Å; S355-D374 PolarHBondContact OG-OD2 2.9Å
356S90.1Very high90.1Very high8 Ų832.1 Ų32.16%0.05617%0.174CC..  trans-122.9161.2169.472.20000111.7R235 Y236 L358 T359 L360R235-S356 VanDerWaalsContact NH1-CB 3.3Å; R235-S356 VanDerWaalsContact NH1-N 3.17Å; Y236-S356 PolarHBondContact OH-N 3.32Å; S356-L358 PolarHBondContact O-N 3.18Å; S356-L358 PolarHBondContact OG-N 2.91Å; S356-T359 WeakPolarHBondContact CA-OG1 3.36Å; S356-T359 PolarHBondContact N-OG1 2.83Å; S356-T359 PolarHBondContact O-N 3.22Å; S356-T359 PolarHBondContact O-OG1 3.37Å; S356-T359 PolarHBondContact OG-N 2.95Å; S356-T359 PolarHBondContact OG-OG1 2.75Å; S356-L360 WeakPolarHBondContact O-CB 3.49Å; S356-L360 PolarHBondContact O-N 3.44Å
357P83.8Confident90Very high58 Ų5832.2 Ų32.238%0.37717%0.174SC..THydrogen-bonded Turntrans-52.9-24.9169.4-25.634000113.6Y330Y330-P357 HydrophobicContact CD2-CG 4Å; Y330-P357 HydrophobicContact CE2-CG 4.47Å
358L86.4Confident90Very high66 Ų6634.9 Ų34.935%0.34619%0.185SC..THydrogen-bonded Turntrans-93.1-2.3-177.3-50.4-179.8000113.8S356 A364 S365 K366S356-L358 PolarHBondContact O-N 3.18Å; S356-L358 PolarHBondContact OG-N 2.91Å; L358-A364 CarbonylContact O-C 3.54Å; L358-A364 WeakPolarHBondContact O-CB 3.29Å; L358-S365 WeakPolarHBondContact CD2-OG 3.46Å; L358-S365 PolarHBondContact O-N 3.08Å; L358-K366 HydrophobicContact CB-CB 4.1Å; L358-K366 HydrophobicContact CB-CD 4.04Å; L358-K366 HydrophobicContact CB-CG 3.83Å; L358-K366 HydrophobicContact CD1-CD 3.98Å; L358-K366 HydrophobicContact CD1-CG 4.13Å; L358-K366 WeakPolarHBondContact O-CB 3.3Å; L358-K366 PolarHBondContact O-N 3.01Å
359T91.4Very high89.9Confident0 Ų042 Ų420%022%0.218CC..THydrogen-bonded Turntrans-130.2-10.7-178.849.20000113.7L123 L125 Y236 S356 T361 K366 I367 G373 D374L123-T359 HydrophobicContact CD1-CG2 3.85Å; L125-T359 HydrophobicContact CD1-CG2 4.2Å; Y236-T359 HydrophobicContact CE1-CG2 4.27Å; Y236-T359 HydrophobicContact CE2-CG2 3.99Å; Y236-T359 PolarHBondContact OH-OG1 3.26Å; S356-T359 WeakPolarHBondContact CA-OG1 3.36Å; S356-T359 PolarHBondContact N-OG1 2.83Å; S356-T359 PolarHBondContact O-N 3.22Å; S356-T359 PolarHBondContact O-OG1 3.37Å; S356-T359 PolarHBondContact OG-N 2.95Å; S356-T359 PolarHBondContact OG-OG1 2.75Å; T359-T361 VanDerWaalsContact C-N 3.28Å; T359-T361 PolarHBondContact O-N 3.22Å; T359-T361 VanDerWaalsContact O-N 3.12Å; T359-K366 HydrophobicContact CG2-CB 4.05Å; T359-I367 HydrophobicContact CG2-CD1 3.93Å; T359-G373 CarbonylContact O-C 3.58Å; T359-G373 VanDerWaalsContact O-CA 3.24Å; T359-G373 WeakPolarHBondContact O-CA 3.35Å; T359-D374 VanDerWaalsContact CB-OD2 3.23Å; T359-D374 WeakPolarHBondContact CB-OD2 3.16Å; T359-D374 PolarHBondContact O-N 3.5Å; T359-D374 PolarHBondContact OG1-OD2 3.2Å
360L89.6Confident89.6Confident8 Ų849.3 Ų49.34%0.04226%0.255CS..SBendtrans-51.5-38.6-175-166.469.3000114.5V328 Y330 S355 S356 C375 L444V328-L360 HydrophobicContact CG1-CD1 4.37Å; V328-L360 HydrophobicContact CG2-CD1 3.82Å; Y330-L360 HydrophobicContact CD1-CD1 3.91Å; Y330-L360 HydrophobicContact CE1-CD1 4.32Å; Y330-L360 HydrophobicContact CE1-CD2 4.35Å; Y330-L360 HydrophobicContact CE2-CD2 4.26Å; Y330-L360 HydrophobicContact CG-CD1 4.06Å; S355-L360 WeakPolarHBondContact OG-CD1 3.29Å; S356-L360 WeakPolarHBondContact O-CB 3.49Å; S356-L360 PolarHBondContact O-N 3.44Å; L360-C375 WeakPolarHBondContact CD1-SG 3.34Å; L360-C375 WeakPolarHBondContact O-CB 3.19Å; L360-C375 PolarHBondContact O-N 2.67Å; L360-C375 PolarHBondContact O-SG 2.8Å; L360-L444 HydrophobicContact CD2-CD2 4.48Å
361T88.2Confident89.4Confident33 Ų3349.6 Ų49.620%0.20226%0.259CS..SBendtrans-124.2158.8-177.272.40000111.5T359 Q363 A364 V443T359-T361 VanDerWaalsContact C-N 3.28Å; T359-T361 PolarHBondContact O-N 3.22Å; T359-T361 VanDerWaalsContact O-N 3.12Å; T361-Q363 PolarHBondContact O-N 2.94Å; T361-Q363 PolarHBondContact OG1-N 3.16Å; T361-A364 WeakPolarHBondContact O-CB 3.47Å; T361-A364 PolarHBondContact O-N 2.94Å; T361-A364 PolarHBondContact OG1-N 2.86Å; T361-V443 HydrophobicContact CG2-CG1 4.2Å
362D87.1Confident89.2Confident84 Ų8454.1 Ų54.145%0.44928%0.276SS..THydrogen-bonded Turntrans-57.6-20176.5-59.9-6.7000113.6R372 G373 A376D362-R372 WeakPolarHBondContact OD1-CA 3.28Å; D362-G373 PolarHBondContact OD1-N 3.21Å; D362-A376 WeakPolarHBondContact OD1-CB 3.42Å
363Q81.9Confident88.9Confident177 Ų17754.1 Ų54.183%0.82728%0.276SS*.THydrogen-bonded Turntrans-100.95.6178.3-60.4-166.5-3.800113.3T361T361-Q363 PolarHBondContact O-N 2.94Å; T361-Q363 PolarHBondContact OG1-N 3.16Å
364A83.4Confident88.8Confident14 Ų1454.1 Ų54.112%0.11628%0.276CS..SBendtrans-69.1151.2-179.500000111.1L358 T361 K366 I367L358-A364 CarbonylContact O-C 3.54Å; L358-A364 WeakPolarHBondContact O-CB 3.29Å; T361-A364 WeakPolarHBondContact O-CB 3.47Å; T361-A364 PolarHBondContact O-N 2.94Å; T361-A364 PolarHBondContact OG1-N 2.86Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.07Å; A364-I367 HydrophobicContact CB-CG1 4.32Å; A364-I367 PolarHBondContact O-N 3.09Å; A364-I367 VanDerWaalsContact O-N 3.1Å
365S83Confident88.6Confident72 Ų7254.1 Ų54.150%0.50328%0.276SS..THydrogen-bonded Turntrans-65.4-30-164.9540000114.5K122 L358K122-S365 PolarHBondContact NZ-O 3.37Å; L358-S365 WeakPolarHBondContact CD2-OG 3.46Å; L358-S365 PolarHBondContact O-N 3.08Å
366K88.5Confident88.5Confident63 Ų6355 Ų5527%0.27428%0.284SS..THydrogen-bonded Turntrans-86.8-9177.2-74.6-168.9173.9-170.30113.2K122 L123 L358 T359 A364K122-K366 CarbonylContact C-O 3.55Å; K122-K366 WeakPolarHBondContact CA-O 3.25Å; L123-K366 WeakPolarHBondContact CB-O 3.39Å; L123-K366 HydrophobicContact CD1-CB 4.03Å; L123-K366 HydrophobicContact CD1-CD 4.22Å; L123-K366 HydrophobicContact CG-CB 4.35Å; L123-K366 PolarHBondContact N-O 3.42Å; L358-K366 HydrophobicContact CB-CB 4.1Å; L358-K366 HydrophobicContact CB-CD 4.04Å; L358-K366 HydrophobicContact CB-CG 3.83Å; L358-K366 HydrophobicContact CD1-CD 3.98Å; L358-K366 HydrophobicContact CD1-CG 4.13Å; L358-K366 WeakPolarHBondContact O-CB 3.3Å; L358-K366 PolarHBondContact O-N 3.01Å; T359-K366 HydrophobicContact CG2-CB 4.05Å; A364-K366 VanDerWaalsContact C-N 3.32Å; A364-K366 PolarHBondContact O-N 3.07Å
367I90.3Very high88.7Confident6 Ų656.4 Ų56.43%0.03129%0.292CS..BIsolated β-bridgetrans-79.3130.8177.6-61.6-61.6000109.8L125 T359 A364 A371L125-I367 HydrophobicContact CD1-CD1 3.79Å; T359-I367 HydrophobicContact CG2-CD1 3.93Å; A364-I367 HydrophobicContact CB-CG1 4.32Å; A364-I367 PolarHBondContact O-N 3.09Å; A364-I367 VanDerWaalsContact O-N 3.1Å; I367-A371 HydrophobicContact CG2-CB 3.89Å; I367-A371 WeakPolarHBondContact CG2-O 3.41Å
368K88.9Confident89.3Confident66 Ų6654.3 Ų54.329%0.28728%0.277SS..PPolyproline II helixtrans-60.5144.9172.9-176.7173179.1169.90110.2E110 K122 L123 N370 A371E110-K368 IonicContact OE1-NZ 2.86Å; E110-K368 PolarHBondContact OE1-NZ 2.8Å; E110-K368 WeakPolarHBondContact OE2-CE 3.23Å; E110-K368 IonicContact OE2-NZ 2.89Å; E110-K368 PolarHBondContact OE2-NZ 3.13Å; K122-K368 HydrophobicContact CB-CB 4.35Å; L123-K368 WeakPolarHBondContact O-CB 3.43Å; L123-K368 PolarHBondContact O-N 3Å; K368-N370 PolarHBondContact O-N 3.15Å; K368-A371 HydrophobicContact CB-CB 4.14Å; K368-A371 VanDerWaalsContact O-CB 3.3Å; K368-A371 WeakPolarHBondContact O-CB 3.39Å; K368-A371 PolarHBondContact O-N 2.9Å
369Q84.6Confident89.6Confident158 Ų15853.3 Ų53.374%0.73827%0.272SS*.THydrogen-bonded Turntrans-56.6132.9178.4-167.4173.72.100110.9A371Q369-A371 PolarHBondContact O-N 3.14Å
370N84.8Confident89.8Confident160 Ų16053.3 Ų53.386%0.85627%0.272SS*.THydrogen-bonded Turntrans68.24.4-174.8-48.1-43.5000115.9K368K368-N370 PolarHBondContact O-N 3.15Å
371A90.6Very high90Very high17 Ų1753 Ų5314%0.1427%0.27CS..  trans-84.7161.316700000110.9I367 K368 Q369I367-A371 HydrophobicContact CG2-CB 3.89Å; I367-A371 WeakPolarHBondContact CG2-O 3.41Å; K368-A371 HydrophobicContact CB-CB 4.14Å; K368-A371 VanDerWaalsContact O-CB 3.3Å; K368-A371 WeakPolarHBondContact O-CB 3.39Å; K368-A371 PolarHBondContact O-N 2.9Å; Q369-A371 PolarHBondContact O-N 3.14Å
372R91.4Very high90.3Very high147 Ų14752 Ų5256%0.55527%0.265SS*.  trans-89.6136.9178.8-63.2178.576.7176.23.5110.4R104 D362 A376 V377R104-R372 VanDerWaalsContact CZ-O 3.31Å; R104-R372 PolarHBondContact NH1-O 2.85Å; R104-R372 PolarHBondContact NH2-O 3.24Å; D362-R372 WeakPolarHBondContact OD1-CA 3.28Å; R372-A376 HydrophobicContact CB-CB 4.2Å; R372-A376 PolarHBondContact NH2-O 2.71Å; R372-V377 HydrophobicContact CB-CG2 3.91Å
373G92.8Very high90.6Very high0 Ų048 Ų480%024%0.243CC..  trans-77.4175.1167.500000112.1T359 D362 A376 V377T359-G373 CarbonylContact O-C 3.58Å; T359-G373 VanDerWaalsContact O-CA 3.24Å; T359-G373 WeakPolarHBondContact O-CA 3.35Å; D362-G373 PolarHBondContact OD1-N 3.21Å; G373-A376 PolarHBondContact O-N 2.75Å; G373-V377 PolarHBondContact O-N 2.71Å
374D94.9Very high91.1Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-66.3-43.9-170.8-68.1-27.3000112.6R104 Y128 Y236 S355 T359 A376 V377 L378R104-D374 WeakPolarHBondContact CD-OD1 3.25Å; R104-D374 IonicContact CZ-OD1 3.89Å; R104-D374 IonicContact NE-OD1 2.7Å; R104-D374 IonicContact NH1-OD1 3.46Å; R104-D374 PolarHBondContact NH1-OD1 3.14Å; Y128-D374 WeakPolarHBondContact OH-CB 3.47Å; Y128-D374 VanDerWaalsContact OH-CG 3.27Å; Y128-D374 PolarHBondContact OH-OD1 2.61Å; Y236-D374 PolarHBondContact OH-OD2 2.92Å; S355-D374 VanDerWaalsContact CA-OD2 3.24Å; S355-D374 WeakPolarHBondContact CA-OD2 3.43Å; S355-D374 WeakPolarHBondContact CB-OD2 3.11Å; S355-D374 WeakPolarHBondContact OG-CB 3.24Å; S355-D374 PolarHBondContact OG-OD2 2.9Å; T359-D374 VanDerWaalsContact CB-OD2 3.23Å; T359-D374 WeakPolarHBondContact CB-OD2 3.16Å; T359-D374 PolarHBondContact O-N 3.5Å; T359-D374 PolarHBondContact OG1-OD2 3.2Å; D374-A376 PolarHBondContact O-N 2.83Å; D374-V377 PolarHBondContact O-N 3.2Å; D374-V377 VanDerWaalsContact O-N 3.1Å; D374-L378 WeakPolarHBondContact O-CB 3.45Å; D374-L378 PolarHBondContact O-N 3.44Å
375C93.7Very high91.5Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-63.1-30.7177.2-750000113.1L360 V377 N379 P380 L444L360-C375 WeakPolarHBondContact CD1-SG 3.34Å; L360-C375 WeakPolarHBondContact O-CB 3.19Å; L360-C375 PolarHBondContact O-N 2.67Å; L360-C375 PolarHBondContact O-SG 2.8Å; C375-V377 VanDerWaalsContact C-N 3.31Å; C375-N379 VanDerWaalsContact O-CA 3.29Å; C375-N379 WeakPolarHBondContact O-CA 3.44Å; C375-N379 PolarHBondContact O-N 3.38Å; C375-P380 WeakPolarHBondContact O-CD 3.45Å; C375-L444 WeakPolarHBondContact CB-O 3.2Å
376A92.6Very high91.7Very high19 Ų1935.9 Ų35.916%0.15718%0.177CC..Hα-helixtrans-70.2-30177.700000111.9D362 R372 G373 D374D362-A376 WeakPolarHBondContact OD1-CB 3.42Å; R372-A376 HydrophobicContact CB-CB 4.2Å; R372-A376 PolarHBondContact NH2-O 2.71Å; G373-A376 PolarHBondContact O-N 2.75Å; D374-A376 PolarHBondContact O-N 2.83Å
377V95.3Very high91.3Very high37 Ų3733.2 Ų33.222%0.22417%0.166CC..Hα-helixtrans-89.4-49178.4-178.50000111.5Y128 R372 G373 D374 C375 N379Y128-V377 HydrophobicContact CD2-CB 4.48Å; Y128-V377 HydrophobicContact CD2-CG1 3.92Å; Y128-V377 HydrophobicContact CE2-CB 4.42Å; Y128-V377 HydrophobicContact CE2-CG1 4.34Å; R372-V377 HydrophobicContact CB-CG2 3.91Å; G373-V377 PolarHBondContact O-N 2.71Å; D374-V377 PolarHBondContact O-N 3.2Å; D374-V377 VanDerWaalsContact O-N 3.1Å; C375-V377 VanDerWaalsContact C-N 3.31Å; V377-N379 VanDerWaalsContact C-N 3.33Å; V377-N379 PolarHBondContact O-N 3.26Å
378L95.4Very high90.5Very high13 Ų1334.3 Ų34.37%0.06818%0.176CC..Hα-helixtrans-64.5-37.2178.4-75175.1000112.7Y128 W130 V326 V328 D374Y128-L378 HydrophobicContact CD1-CD2 3.78Å; Y128-L378 HydrophobicContact CD2-CD2 3.54Å; Y128-L378 HydrophobicContact CD2-CG 3.89Å; Y128-L378 HydrophobicContact CE1-CD1 4.15Å; Y128-L378 HydrophobicContact CE1-CD2 3.74Å; Y128-L378 HydrophobicContact CE1-CG 4.12Å; Y128-L378 HydrophobicContact CE2-CD1 4Å; Y128-L378 HydrophobicContact CE2-CD2 3.49Å; Y128-L378 VanDerWaalsContact CE2-CD2 3.49Å; Y128-L378 HydrophobicContact CE2-CG 3.34Å; Y128-L378 HydrophobicContact CG-CD2 3.68Å; Y128-L378 HydrophobicContact CG-CG 4.47Å; Y128-L378 VanDerWaalsContact CZ-CG 3.47Å; Y128-L378 WeakPolarHBondContact OH-CD1 3.42Å; W130-L378 HydrophobicContact CH2-CD2 4.02Å; W130-L378 HydrophobicContact CZ2-CD2 3.79Å; V326-L378 HydrophobicContact CG1-CB 4.17Å; V326-L378 HydrophobicContact CG1-CD2 4.12Å; V328-L378 HydrophobicContact CB-CD1 3.9Å; V328-L378 HydrophobicContact CG2-CD1 3.69Å; D374-L378 WeakPolarHBondContact O-CB 3.45Å; D374-L378 PolarHBondContact O-N 3.44Å
379N94.2Very high90.1Very high45 Ų4531.8 Ų31.824%0.24117%0.165CC..  trans49.660.6-172.8-164.112.9000111.5C375 V377 G445 E446 R447C375-N379 VanDerWaalsContact O-CA 3.29Å; C375-N379 WeakPolarHBondContact O-CA 3.44Å; C375-N379 PolarHBondContact O-N 3.38Å; V377-N379 VanDerWaalsContact C-N 3.33Å; V377-N379 PolarHBondContact O-N 3.26Å; N379-G445 WeakPolarHBondContact OD1-CA 3.35Å; N379-E446 PolarHBondContact OD1-N 2.72Å; N379-R447 WeakPolarHBondContact ND2-CD 3.48Å; N379-R447 VanDerWaalsContact ND2-CG 3.33Å; N379-R447 WeakPolarHBondContact ND2-CG 3.14Å; N379-R447 PolarHBondContact OD1-N 2.76Å; N379-R447 VanDerWaalsContact OD1-N 3.13Å
380P95.4Very high90Very high0 Ų024.3 Ų24.30%013%0.13CC..  trans-63.2151.6-167.628.2-36.6000112.4V328 C375 L444 R447 L448V328-P380 HydrophobicContact CB-CB 4.25Å; V328-P380 HydrophobicContact CB-CG 4.48Å; V328-P380 HydrophobicContact CG1-CB 4.02Å; V328-P380 HydrophobicContact CG1-CG 4.03Å; C375-P380 WeakPolarHBondContact O-CD 3.45Å; P380-L444 VanDerWaalsContact CD-O 3.28Å; P380-L444 WeakPolarHBondContact CD-O 3.3Å; P380-L444 WeakPolarHBondContact CG-O 3.29Å; P380-R447 CarbonylContact O-C 3.51Å; P380-L448 WeakPolarHBondContact O-CA 3.31Å; P380-L448 PolarHBondContact O-N 2.95Å
381T93.9Very high89.5Confident1 Ų117 Ų171%0.0069%0.091CC..SBendtrans-100.7-25.4173.860.20000112.4D325 V326 R447 R449 L450D325-T381 VanDerWaalsContact CA-OG1 3.3Å; D325-T381 WeakPolarHBondContact CA-OG1 3.24Å; D325-T381 VanDerWaalsContact CB-OG1 3.3Å; D325-T381 WeakPolarHBondContact CB-OG1 2.75Å; D325-T381 WeakPolarHBondContact OD1-CB 3.29Å; D325-T381 VanDerWaalsContact OD1-CG2 3.31Å; D325-T381 WeakPolarHBondContact OD1-CG2 3.45Å; D325-T381 PolarHBondContact OD1-OG1 2.73Å; V326-T381 PolarHBondContact N-OG1 2.94Å; V326-T381 PolarHBondContact O-N 2.95Å; V326-T381 PolarHBondContact O-OG1 3.02Å; T381-R447 WeakPolarHBondContact CA-O 3.33Å; T381-R447 HydrophobicContact CG2-CB 4.01Å; T381-R449 PolarHBondContact O-N 3.28Å; T381-L450 PolarHBondContact O-N 3.09Å
382V92.8Very high88.7Confident14 Ų1421.4 Ų21.49%0.08510%0.104CC..EExtended strand (participates in β ladder)trans-131.9141.2176.6-172.60000109.4F318 V326 Y327 L450F318-V382 HydrophobicContact CE1-CG2 4.2Å; F318-V382 HydrophobicContact CE2-CG2 3.77Å; F318-V382 HydrophobicContact CZ-CG2 3.32Å; V326-V382 PolarHBondContact O-N 2.8Å; Y327-V382 HydrophobicContact CD2-CB 4.32Å; Y327-V382 HydrophobicContact CD2-CG1 4.25Å; V382-L450 WeakPolarHBondContact CA-O 3.43Å; V382-L450 HydrophobicContact CG1-CB 4.45Å; V382-L450 HydrophobicContact CG1-CD2 4.22Å; V382-L450 HydrophobicContact CG1-CG 4.47Å; V382-L450 HydrophobicContact CG2-CB 4.42Å
383I93.7Very high88Confident0 Ų015.1 Ų15.10%08%0.081CC..EExtended strand (participates in β ladder)trans-143.1135.8173.3-168.5169.8000110.2V328 Y330 V385 L444 L448 L450 V451 L452V328-I383 HydrophobicContact CG1-CB 4.1Å; V328-I383 HydrophobicContact CG1-CD1 3.56Å; V328-I383 HydrophobicContact CG1-CG1 3.58Å; Y330-I383 HydrophobicContact CE1-CD1 3.9Å; Y330-I383 HydrophobicContact CE1-CG1 3.9Å; I383-V385 HydrophobicContact CD1-CG1 4.06Å; I383-V385 HydrophobicContact CG1-CG1 3.92Å; I383-V385 HydrophobicContact CG2-CG1 4.12Å; I383-L444 HydrophobicContact CD1-CD2 4.45Å; I383-L448 HydrophobicContact CB-CD1 4.22Å; I383-L448 HydrophobicContact CG2-CD1 3.7Å; I383-L448 HydrophobicContact CG2-CD2 4.41Å; I383-L450 PolarHBondContact N-O 3.39Å; I383-V451 HydrophobicContact CG2-CB 4.31Å; I383-V451 HydrophobicContact CG2-CG1 4.03Å; I383-V451 HydrophobicContact CG2-CG2 3.87Å; I383-V451 WeakPolarHBondContact O-CA 3.01Å; I383-L452 PolarHBondContact O-N 3.03Å
384A93.5Very high87.4Confident1 Ų115.8 Ų15.81%0.0088%0.084CC..EExtended strand (participates in β ladder)trans-92.6135.4164.400000108.9Y327 Y330 L331 A341 L452Y327-A384 HydrophobicContact CE2-CB 4.13Å; Y327-A384 VanDerWaalsContact OH-CB 3.22Å; Y327-A384 WeakPolarHBondContact OH-CB 3.39Å; Y330-A384 VanDerWaalsContact CE1-O 3.31Å; Y330-A384 WeakPolarHBondContact CE1-O 3.41Å; Y330-A384 PolarHBondContact OH-O 2.72Å; L331-A384 HydrophobicContact CD1-CB 4.13Å; A341-A384 HydrophobicContact CB-CB 4.42Å; A384-L452 CarbonylContact C-O 3.56Å; A384-L452 WeakPolarHBondContact CA-O 3.46Å; A384-L452 HydrophobicContact CB-CB 4.39Å; A384-L452 HydrophobicContact CB-CD2 4.09Å
385V91.2Very high86.4Confident1 Ų116.5 Ų16.51%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-134.3156.6179.4-56.60000110.8I383 M390 V451 L452 C453 G454I383-V385 HydrophobicContact CD1-CG1 4.06Å; I383-V385 HydrophobicContact CG1-CG1 3.92Å; I383-V385 HydrophobicContact CG2-CG1 4.12Å; V385-M390 HydrophobicContact CG2-CE 3.49Å; V385-M390 VanDerWaalsContact CG2-CE 3.49Å; V385-M390 HydrophobicContact CG2-SD 4.47Å; V385-V451 HydrophobicContact CG1-CG1 4.31Å; V385-V451 HydrophobicContact CG2-CG1 3.71Å; V385-L452 PolarHBondContact N-O 3.08Å; V385-C453 HydrophobicContact CG2-CB 4.03Å; V385-C453 WeakPolarHBondContact O-CA 3.27Å; V385-G454 PolarHBondContact O-N 3.4Å; V385-G454 VanDerWaalsContact O-N 3.16Å
386V86.4Confident85.6Confident6 Ų619 Ų194%0.03611%0.107CC..  trans-101.5152.9167.1-62.40000109.8L331 L337 A388 I389 M390L331-V386 HydrophobicContact CD2-CG1 4.27Å; L337-V386 HydrophobicContact CD2-CG1 4.46Å; V386-A388 HydrophobicContact CG2-CB 4.46Å; V386-A388 PolarHBondContact O-N 2.81Å; V386-A388 VanDerWaalsContact O-N 3.13Å; V386-I389 HydrophobicContact CG2-CB 4.19Å; V386-I389 HydrophobicContact CG2-CG1 3.67Å; V386-I389 PolarHBondContact O-N 3.28Å; V386-M390 PolarHBondContact O-N 3Å
387P82Confident84.9Confident6 Ų618.3 Ų18.34%0.03910%0.102CC..Hα-helixtrans-53-37.4-178.3-29.133.5000114.4I389 M390 D391 G454 A456 P457 L458P387-I389 VanDerWaalsContact C-N 3.3Å; P387-I389 PolarHBondContact O-N 2.97Å; P387-M390 CarbonylContact O-C 3.57Å; P387-M390 WeakPolarHBondContact O-CA 3.34Å; P387-M390 WeakPolarHBondContact O-CB 2.82Å; P387-M390 PolarHBondContact O-N 2.93Å; P387-D391 WeakPolarHBondContact O-CB 3.49Å; P387-D391 PolarHBondContact O-N 2.95Å; P387-G454 WeakPolarHBondContact CD-O 3.43Å; P387-A456 HydrophobicContact CG-CB 3.81Å; P387-A456 WeakPolarHBondContact CG-O 3.26Å; P387-P457 VanDerWaalsContact CB-O 3.29Å; P387-P457 WeakPolarHBondContact CB-O 3.46Å; P387-P457 VanDerWaalsContact CG-O 3.3Å; P387-P457 WeakPolarHBondContact CG-O 3.26Å; P387-L458 HydrophobicContact CB-CB 4.42Å; P387-L458 HydrophobicContact CB-CD1 4.11Å; P387-L458 HydrophobicContact CG-CB 4.23Å
388A73.3Confident84.1Confident29 Ų2918 Ų1824%0.2410%0.097CC..Hα-helixtrans-59.7-39177.300000113V386 R392 L700V386-A388 HydrophobicContact CG2-CB 4.46Å; V386-A388 PolarHBondContact O-N 2.81Å; V386-A388 VanDerWaalsContact O-N 3.13Å; A388-R392 WeakPolarHBondContact O-CB 3.43Å; A388-R392 PolarHBondContact O-N 2.92Å; A388-R392 VanDerWaalsContact O-N 3.08Å; A388-L700 HydrophobicContact CB-CB 3.68Å; A388-L700 HydrophobicContact CB-CD1 4.24Å
389I78.8Confident83.2Confident13 Ų1318.1 Ų18.17%0.06710%0.098CC..Hα-helixtrans-70.4-42174.2-63.3-64000109.8V386 P387 D391 R392 I393 L700V386-I389 HydrophobicContact CG2-CB 4.19Å; V386-I389 HydrophobicContact CG2-CG1 3.67Å; V386-I389 PolarHBondContact O-N 3.28Å; P387-I389 VanDerWaalsContact C-N 3.3Å; P387-I389 PolarHBondContact O-N 2.97Å; I389-D391 PolarHBondContact O-N 3.25Å; I389-R392 PolarHBondContact O-N 3.3Å; I389-I393 HydrophobicContact CG2-CD1 3.78Å; I389-I393 HydrophobicContact CG2-CG1 4.44Å; I389-I393 WeakPolarHBondContact O-CD1 3.48Å; I389-I393 VanDerWaalsContact O-CG1 3.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.45Å; I389-I393 PolarHBondContact O-N 3.42Å; I389-L700 HydrophobicContact CD1-CD1 3.74Å; I389-L700 HydrophobicContact CG1-CD1 4.42Å
390M82.5Confident82.5Confident2 Ų222.8 Ų22.81%0.0111%0.113CC..Hα-helixtrans-59.2-46.6176.6-165.565.690.900111.9V385 V386 P387 R392 I393 Y394 V451 L458 T462 M466 V474V385-M390 HydrophobicContact CG2-CE 3.49Å; V385-M390 VanDerWaalsContact CG2-CE 3.49Å; V385-M390 HydrophobicContact CG2-SD 4.47Å; V386-M390 PolarHBondContact O-N 3Å; P387-M390 CarbonylContact O-C 3.57Å; P387-M390 WeakPolarHBondContact O-CA 3.34Å; P387-M390 WeakPolarHBondContact O-CB 2.82Å; P387-M390 PolarHBondContact O-N 2.93Å; M390-R392 VanDerWaalsContact C-N 3.34Å; M390-R392 PolarHBondContact O-N 3.43Å; M390-I393 PolarHBondContact O-N 3.12Å; M390-Y394 WeakPolarHBondContact O-CB 3.46Å; M390-Y394 PolarHBondContact O-N 3Å; M390-V451 HydrophobicContact CE-CG1 3.68Å; M390-L458 HydrophobicContact CB-CD1 4.03Å; M390-L458 HydrophobicContact CG-CD1 3.94Å; M390-T462 HydrophobicContact CG-CG2 3.7Å; M390-M466 HydrophobicContact CE-CB 4.34Å; M390-M466 HydrophobicContact CE-CG 4.48Å; M390-M466 HydrophobicContact CG-CE 3.87Å; M390-M466 HydrophobicContact CG-CG 3.87Å; M390-M466 WeakPolarHBondContact O-CE 3.39Å; M390-M466 HydrophobicContact SD-CB 3.9Å; M390-M466 HydrophobicContact SD-CE 3.47Å; M390-M466 WeakPolarHBondContact SD-CE 3.5Å; M390-M466 HydrophobicContact SD-CG 3.47Å; M390-M466 WeakPolarHBondContact SD-CG 3.43Å; M390-M466 HydrophobicContact SD-SD 4.08Å; M390-V474 HydrophobicContact CE-CG1 3.77Å; M390-V474 HydrophobicContact CE-CG2 4.4Å
391D74.2Confident81.8Confident5 Ų523.8 Ų23.83%0.02712%0.118CC..Hα-helixtrans-66.2-35.8178.3-72.6-29.6000112P387 I389 Y394 K395 T462P387-D391 WeakPolarHBondContact O-CB 3.49Å; P387-D391 PolarHBondContact O-N 2.95Å; I389-D391 PolarHBondContact O-N 3.25Å; D391-Y394 WeakPolarHBondContact O-CB 3.48Å; D391-Y394 PolarHBondContact O-N 3.47Å; D391-K395 WeakPolarHBondContact O-CB 3.17Å; D391-K395 VanDerWaalsContact O-CG 3.26Å; D391-K395 WeakPolarHBondContact O-CG 3.24Å; D391-K395 PolarHBondContact O-N 2.9Å; D391-T462 WeakPolarHBondContact OD1-CG2 3.37Å; D391-T462 PolarHBondContact OD1-OG1 3.33Å; D391-T462 VanDerWaalsContact OD1-OG1 3.14Å
392R73.8Confident81.2Confident111 Ų11127.9 Ų27.942%0.41914%0.137SC..Hα-helixtrans-62.5-45.5172.8178.2176.9-85.1174.4-3.6111.4A388 I389 M390 Y394 K395 A396 E610A388-R392 WeakPolarHBondContact O-CB 3.43Å; A388-R392 PolarHBondContact O-N 2.92Å; A388-R392 VanDerWaalsContact O-N 3.08Å; I389-R392 PolarHBondContact O-N 3.3Å; M390-R392 VanDerWaalsContact C-N 3.34Å; M390-R392 PolarHBondContact O-N 3.43Å; R392-Y394 VanDerWaalsContact C-N 3.3Å; R392-Y394 PolarHBondContact O-N 3.18Å; R392-K395 PolarHBondContact O-N 2.9Å; R392-A396 WeakPolarHBondContact O-CB 3.32Å; R392-A396 PolarHBondContact O-N 2.77Å; R392-E610 IonicContact NH2-OE1 3.48Å
393I77.9Confident80.6Confident14 Ų1434.3 Ų34.37%0.07216%0.16CC..Hα-helixtrans-63.2-41.1176-65163.3000109.9I389 M390 K395 A396 V397 L444 M466 F470I389-I393 HydrophobicContact CG2-CD1 3.78Å; I389-I393 HydrophobicContact CG2-CG1 4.44Å; I389-I393 WeakPolarHBondContact O-CD1 3.48Å; I389-I393 VanDerWaalsContact O-CG1 3.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.45Å; I389-I393 PolarHBondContact O-N 3.42Å; M390-I393 PolarHBondContact O-N 3.12Å; I393-K395 PolarHBondContact O-N 3.01Å; I393-A396 PolarHBondContact O-N 3.31Å; I393-V397 HydrophobicContact CG2-CG2 4.36Å; I393-V397 WeakPolarHBondContact O-CG2 3.48Å; I393-V397 PolarHBondContact O-N 3.1Å; I393-L444 HydrophobicContact CD1-CD1 4.04Å; I393-L444 HydrophobicContact CD1-CD2 3.93Å; I393-L444 HydrophobicContact CD1-CG 4.36Å; I393-M466 HydrophobicContact CB-CE 3.62Å; I393-M466 HydrophobicContact CG2-CE 3.47Å; I393-M466 VanDerWaalsContact CG2-CE 3.47Å; I393-M466 HydrophobicContact CG2-SD 4.4Å; I393-F470 HydrophobicContact CG2-CE2 4.02Å; I393-F470 HydrophobicContact CG2-CZ 3.59Å
394Y79.6Confident80.1Confident14 Ų1435.9 Ų35.96%0.05517%0.17CC..Hα-helixtrans-59.1-49.1179.2173.4-92.5000110.4M390 D391 R392 V397 K398 T462 F465M390-Y394 WeakPolarHBondContact O-CB 3.46Å; M390-Y394 PolarHBondContact O-N 3Å; D391-Y394 WeakPolarHBondContact O-CB 3.48Å; D391-Y394 PolarHBondContact O-N 3.47Å; R392-Y394 VanDerWaalsContact C-N 3.3Å; R392-Y394 PolarHBondContact O-N 3.18Å; Y394-V397 PolarHBondContact O-N 3.48Å; Y394-K398 HydrophobicContact CD1-CD 4.38Å; Y394-K398 HydrophobicContact CE1-CD 3.62Å; Y394-K398 HydrophobicContact CE1-CG 4.29Å; Y394-K398 VanDerWaalsContact CZ-CE 3.41Å; Y394-K398 WeakPolarHBondContact O-CB 3.21Å; Y394-K398 PolarHBondContact O-N 3.3Å; Y394-K398 WeakPolarHBondContact OH-CE 3.48Å; Y394-K398 PolarHBondContact OH-NZ 2.99Å; Y394-T462 HydrophobicContact CD2-CG2 4.24Å; Y394-T462 HydrophobicContact CG-CG2 4.4Å; Y394-F465 HydrophobicContact CD2-CB 4.07Å; Y394-F465 AromaticContact CD2-CD1 3.28Å; Y394-F465 HydrophobicContact CD2-CD1 3.28Å; Y394-F465 HydrophobicContact CD2-CD2 4.43Å; Y394-F465 AromaticContact CD2-CE1 3.7Å; Y394-F465 HydrophobicContact CD2-CE1 3.7Å; Y394-F465 AromaticContact CD2-CG 3.68Å; Y394-F465 HydrophobicContact CD2-CG 3.68Å; Y394-F465 HydrophobicContact CD2-CZ 4.45Å; Y394-F465 HydrophobicContact CE2-CB 3.78Å; Y394-F465 AromaticContact CE2-CD1 3.58Å; Y394-F465 HydrophobicContact CE2-CD1 3.58Å; Y394-F465 AromaticContact CE2-CD2 3.88Å; Y394-F465 HydrophobicContact CE2-CD2 3.88Å; Y394-F465 HydrophobicContact CE2-CE1 4.06Å; Y394-F465 HydrophobicContact CE2-CE2 4.36Å; Y394-F465 AromaticContact CE2-CG 3.46Å; Y394-F465 HydrophobicContact CE2-CG 3.46Å; Y394-F465 VanDerWaalsContact CE2-CG 3.46Å; Y394-F465 HydrophobicContact CE2-CZ 4.42Å; Y394-F465 HydrophobicContact CG-CD1 4.42Å
395K74.8Confident79.8Confident15 Ų1538.9 Ų38.97%0.06519%0.191CC..Hα-helixtrans-60.4-46.1176.2-70.3168.6-168.8174.10111D391 R392 I393 V397 K398 T399 L604 V609 E610D391-K395 WeakPolarHBondContact O-CB 3.17Å; D391-K395 VanDerWaalsContact O-CG 3.26Å; D391-K395 WeakPolarHBondContact O-CG 3.24Å; D391-K395 PolarHBondContact O-N 2.9Å; R392-K395 PolarHBondContact O-N 2.9Å; I393-K395 PolarHBondContact O-N 3.01Å; K395-V397 PolarHBondContact O-N 3.05Å; K395-K398 PolarHBondContact O-N 2.99Å; K395-T399 WeakPolarHBondContact O-CB 3.06Å; K395-T399 PolarHBondContact O-N 2.83Å; K395-T399 PolarHBondContact O-OG1 3.25Å; K395-L604 WeakPolarHBondContact CE-O 3.34Å; K395-L604 PolarHBondContact NZ-O 2.93Å; K395-V609 VanDerWaalsContact CE-O 3.28Å; K395-V609 WeakPolarHBondContact CE-O 3.05Å; K395-V609 PolarHBondContact NZ-O 3.42Å; K395-E610 PolarHBondContact NZ-O 2.88Å
396A75.6Confident79.6Confident52 Ų5241.7 Ų41.743%0.4320%0.204SC..Hα-helixtrans-59.9-44.917900000112.2R392 I393 R400R392-A396 WeakPolarHBondContact O-CB 3.32Å; R392-A396 PolarHBondContact O-N 2.77Å; I393-A396 PolarHBondContact O-N 3.31Å; A396-R400 WeakPolarHBondContact O-CB 3.44Å; A396-R400 PolarHBondContact O-N 3.3Å
397V78.7Confident79.5Confident6 Ų643.5 Ų43.54%0.03621%0.214CC..Hα-helixtrans-64.9-48177174.30000110.7I393 Y394 K395 T399 R400 I401 I440 F465I393-V397 HydrophobicContact CG2-CG2 4.36Å; I393-V397 WeakPolarHBondContact O-CG2 3.48Å; I393-V397 PolarHBondContact O-N 3.1Å; Y394-V397 PolarHBondContact O-N 3.48Å; K395-V397 PolarHBondContact O-N 3.05Å; V397-T399 PolarHBondContact O-N 3.27Å; V397-R400 WeakPolarHBondContact O-CB 3.42Å; V397-R400 PolarHBondContact O-N 3.03Å; V397-I401 HydrophobicContact CG1-CD1 3.73Å; V397-I401 WeakPolarHBondContact O-CD1 3.44Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 2.98Å; V397-I440 HydrophobicContact CG1-CD1 4.13Å; V397-I440 HydrophobicContact CG1-CG1 4.29Å; V397-I440 HydrophobicContact CG1-CG2 3.85Å; V397-I440 HydrophobicContact CG2-CG2 3.83Å; V397-F465 HydrophobicContact CB-CE1 4.31Å; V397-F465 HydrophobicContact CG1-CE1 3.97Å; V397-F465 HydrophobicContact CG1-CZ 3.89Å
398K78.6Confident79.6Confident31 Ų3146 Ų4614%0.13523%0.231CC..Hα-helixtrans-58.9-49.2176.9-93.5-161.2168.8179.90112.6Y394 K395 R400 I401 E402 F465Y394-K398 HydrophobicContact CD1-CD 4.38Å; Y394-K398 HydrophobicContact CE1-CD 3.62Å; Y394-K398 HydrophobicContact CE1-CG 4.29Å; Y394-K398 VanDerWaalsContact CZ-CE 3.41Å; Y394-K398 WeakPolarHBondContact O-CB 3.21Å; Y394-K398 PolarHBondContact O-N 3.3Å; Y394-K398 WeakPolarHBondContact OH-CE 3.48Å; Y394-K398 PolarHBondContact OH-NZ 2.99Å; K395-K398 PolarHBondContact O-N 2.99Å; K398-R400 PolarHBondContact O-N 2.86Å; K398-I401 WeakPolarHBondContact O-CB 3.36Å; K398-I401 PolarHBondContact O-N 3.17Å; K398-E402 WeakPolarHBondContact O-CG 3.44Å; K398-E402 PolarHBondContact O-N 3.3Å; K398-F465 HydrophobicContact CG-CZ 4.38Å
399T76.3Confident80.3Confident15 Ų1547.8 Ų47.89%0.09223%0.232CC..Hα-helixtrans-60.7-36.7178.3-62.90000111.3K395 V397 E402 R403 N633K395-T399 WeakPolarHBondContact O-CB 3.06Å; K395-T399 PolarHBondContact O-N 2.83Å; K395-T399 PolarHBondContact O-OG1 3.25Å; V397-T399 PolarHBondContact O-N 3.27Å; T399-E402 PolarHBondContact O-N 2.88Å; T399-R403 WeakPolarHBondContact O-CB 3.36Å; T399-R403 VanDerWaalsContact O-CG 3.25Å; T399-R403 WeakPolarHBondContact O-CG 3.31Å; T399-R403 PolarHBondContact O-N 2.84Å; T399-N633 PolarHBondContact OG1-ND2 2.78Å
400R78.8Confident80.7Confident143 Ų14347.5 Ų47.554%0.5423%0.231SC..Hα-helixtrans-63.9-41173.8-173.5176.5-176.4178.90.8112.1A396 V397 K398 S404 N439A396-R400 WeakPolarHBondContact O-CB 3.44Å; A396-R400 PolarHBondContact O-N 3.3Å; V397-R400 WeakPolarHBondContact O-CB 3.42Å; V397-R400 PolarHBondContact O-N 3.03Å; K398-R400 PolarHBondContact O-N 2.86Å; R400-S404 PolarHBondContact O-N 3.26Å; R400-N439 PolarHBondContact NH1-O 3.41Å
401I81.5Confident80.8Confident20 Ų2049.3 Ų49.310%0.10324%0.241CC..Hα-helixtrans-68.3-42.9177.4-66155000111V397 K398 R403 S404 R409 F412V397-I401 HydrophobicContact CG1-CD1 3.73Å; V397-I401 WeakPolarHBondContact O-CD1 3.44Å; V397-I401 WeakPolarHBondContact O-CG1 3.33Å; V397-I401 PolarHBondContact O-N 2.98Å; K398-I401 WeakPolarHBondContact O-CB 3.36Å; K398-I401 PolarHBondContact O-N 3.17Å; I401-R403 VanDerWaalsContact C-N 3.3Å; I401-R403 PolarHBondContact O-N 2.91Å; I401-S404 WeakPolarHBondContact O-CB 3.42Å; I401-S404 PolarHBondContact O-N 2.94Å; I401-S404 PolarHBondContact O-OG 3.33Å; I401-R409 HydrophobicContact CG2-CG 4.05Å; I401-F412 HydrophobicContact CD1-CD1 3.67Å; I401-F412 HydrophobicContact CD1-CD2 3.99Å; I401-F412 HydrophobicContact CD1-CE1 3.39Å; I401-F412 HydrophobicContact CD1-CE2 3.72Å; I401-F412 HydrophobicContact CD1-CG 3.97Å; I401-F412 HydrophobicContact CD1-CZ 3.4Å; I401-F412 VanDerWaalsContact CD1-CZ 3.4Å; I401-F412 HydrophobicContact CG1-CD1 4.21Å; I401-F412 HydrophobicContact CG1-CD2 4.3Å; I401-F412 HydrophobicContact CG1-CE1 4.4Å; I401-F412 HydrophobicContact CG1-CE2 4.48Å; I401-F412 HydrophobicContact CG1-CG 4.17Å; I401-F412 HydrophobicContact CG2-CB 4.32Å; I401-F412 HydrophobicContact CG2-CD1 3.89Å; I401-F412 HydrophobicContact CG2-CG 4.16Å
402E80.4Confident81.4Confident88 Ų8849.6 Ų49.641%0.41124%0.242SC..Hα-helixtrans-60.6-40.8177.6-73.9169.4176.500111.6K398 T399 S404 R409K398-E402 WeakPolarHBondContact O-CG 3.44Å; K398-E402 PolarHBondContact O-N 3.3Å; T399-E402 PolarHBondContact O-N 2.88Å; E402-S404 VanDerWaalsContact C-N 3.26Å; E402-S404 PolarHBondContact O-N 2.79Å; E402-R409 PolarHBondContact O-NH2 2.8Å
403R80.6Confident82Confident149 Ų14946.2 Ų46.256%0.56223%0.231SC*.THydrogen-bonded Turntrans-76.1-8.9176.3-68.8177.1-175.31766.6114.4T399 I401T399-R403 WeakPolarHBondContact O-CB 3.36Å; T399-R403 VanDerWaalsContact O-CG 3.25Å; T399-R403 WeakPolarHBondContact O-CG 3.31Å; T399-R403 PolarHBondContact O-N 2.84Å; I401-R403 VanDerWaalsContact C-N 3.3Å; I401-R403 PolarHBondContact O-N 2.91Å
404S83.5Confident82.3Confident32 Ų3246.8 Ų46.822%0.22423%0.233CC..SBendtrans-76166.1178.277.20000111.7R400 I401 E402 S408 R409R400-S404 PolarHBondContact O-N 3.26Å; I401-S404 WeakPolarHBondContact O-CB 3.42Å; I401-S404 PolarHBondContact O-N 2.94Å; I401-S404 PolarHBondContact O-OG 3.33Å; E402-S404 VanDerWaalsContact C-N 3.26Å; E402-S404 PolarHBondContact O-N 2.79Å; S404-S408 WeakPolarHBondContact OG-CB 3.4Å; S404-R409 PolarHBondContact O-NH2 3.01Å
405S87Confident82.6Confident64 Ų6446.1 Ų46.145%0.44823%0.23SC..  trans-56.6155.6177.176.40000111.7L407 S408 R409S405-L407 PolarHBondContact O-N 2.81Å; S405-S408 PolarHBondContact O-N 2.8Å; S405-S408 VanDerWaalsContact O-N 3.09Å; S405-S408 WeakPolarHBondContact OG-CB 3.41Å; S405-S408 PolarHBondContact OG-N 3.16Å; S405-S408 VanDerWaalsContact OG-N 3.08Å; S405-S408 PolarHBondContact OG-OG 3.34Å; S405-R409 PolarHBondContact O-N 2.86Å
406E87.1Confident83.3Confident60 Ų6046.8 Ų46.828%0.2823%0.232SC..Hα-helixtrans-50.2-44.7174.6-100.4-161.7143.100112Y8 S9 V12 R409 A410Y8-E406 HydrophobicContact CD1-CB 4.42Å; Y8-E406 HydrophobicContact CD1-CG 4.18Å; S9-E406 WeakPolarHBondContact CB-OE2 3.26Å; S9-E406 PolarHBondContact OG-OE2 3.12Å; V12-E406 HydrophobicContact CG2-CB 4.32Å; E406-R409 PolarHBondContact O-N 2.83Å; E406-A410 WeakPolarHBondContact O-CB 3.32Å; E406-A410 PolarHBondContact O-N 3.41Å
407L85.3Confident83.9Confident45 Ų4548.6 Ų48.624%0.23623%0.232CC..Hα-helixtrans-61.7-49.7178.2178.464.9000111.4W11 V12 V15 S405 R409 A410 L411W11-L407 HydrophobicContact CH2-CB 4.03Å; W11-L407 HydrophobicContact CZ3-CB 4.2Å; W11-L407 HydrophobicContact CZ3-CD1 4.3Å; W11-L407 HydrophobicContact CZ3-CD2 4.12Å; W11-L407 HydrophobicContact CZ3-CG 4.43Å; V12-L407 HydrophobicContact CG1-CD1 4.2Å; V12-L407 HydrophobicContact CG2-CB 4.33Å; V15-L407 HydrophobicContact CB-CD1 3.94Å; V15-L407 HydrophobicContact CG1-CD1 3.76Å; V15-L407 HydrophobicContact CG2-CD1 4.41Å; S405-L407 PolarHBondContact O-N 2.81Å; L407-R409 VanDerWaalsContact C-N 3.27Å; L407-R409 PolarHBondContact O-N 2.8Å; L407-A410 PolarHBondContact O-N 2.73Å; L407-L411 HydrophobicContact CD1-CD1 3.9Å; L407-L411 HydrophobicContact CD1-CG 4.01Å; L407-L411 HydrophobicContact CD2-CD1 4.37Å; L407-L411 HydrophobicContact CG-CD1 3.74Å; L407-L411 HydrophobicContact CG-CG 4.27Å; L407-L411 VanDerWaalsContact O-CB 3.32Å; L407-L411 WeakPolarHBondContact O-CB 2.96Å; L407-L411 WeakPolarHBondContact O-CG 2.97Å; L407-L411 PolarHBondContact O-N 2.58Å
408S84.2Confident84.2Confident57 Ų5749.6 Ų49.640%0.39924%0.236SC..Hα-helixtrans-59.3-39.6179.9-58.90000112S404 S405 F412S404-S408 WeakPolarHBondContact OG-CB 3.4Å; S405-S408 PolarHBondContact O-N 2.8Å; S405-S408 VanDerWaalsContact O-N 3.09Å; S405-S408 WeakPolarHBondContact OG-CB 3.41Å; S405-S408 PolarHBondContact OG-N 3.16Å; S405-S408 VanDerWaalsContact OG-N 3.08Å; S405-S408 PolarHBondContact OG-OG 3.34Å; S408-F412 WeakPolarHBondContact O-CB 3.34Å; S408-F412 PolarHBondContact O-N 2.92Å
409R87.4Confident84.6Confident68 Ų6848.7 Ų48.726%0.25723%0.232SC..Hα-helixtrans-67.2-49.3177.6-162.6-175-45.4120.49.2111.8I401 E402 S404 S405 E406 L407 L411 F412 E413I401-R409 HydrophobicContact CG2-CG 4.05Å; E402-R409 PolarHBondContact O-NH2 2.8Å; S404-R409 PolarHBondContact O-NH2 3.01Å; S405-R409 PolarHBondContact O-N 2.86Å; E406-R409 PolarHBondContact O-N 2.83Å; L407-R409 VanDerWaalsContact C-N 3.27Å; L407-R409 PolarHBondContact O-N 2.8Å; R409-L411 VanDerWaalsContact C-N 3.32Å; R409-L411 PolarHBondContact O-N 3.01Å; R409-F412 PolarHBondContact O-N 2.73Å; R409-E413 WeakPolarHBondContact O-CG 3.38Å; R409-E413 PolarHBondContact O-N 2.73Å
410A86.7Confident85.2Confident7 Ų752.1 Ų52.16%0.05824%0.244CC..Hα-helixtrans-62.4-39.8178.700000112Y8 V12 V16 E406 L407 F414Y8-A410 HydrophobicContact CD1-CB 4Å; Y8-A410 HydrophobicContact CD2-CB 4.11Å; Y8-A410 HydrophobicContact CE1-CB 3.82Å; Y8-A410 HydrophobicContact CE2-CB 3.93Å; Y8-A410 HydrophobicContact CG-CB 4.15Å; V12-A410 HydrophobicContact CG1-CB 3.45Å; V12-A410 VanDerWaalsContact CG1-CB 3.45Å; V16-A410 HydrophobicContact CG2-CB 3.86Å; E406-A410 WeakPolarHBondContact O-CB 3.32Å; E406-A410 PolarHBondContact O-N 3.41Å; L407-A410 PolarHBondContact O-N 2.73Å; A410-F414 WeakPolarHBondContact O-CB 3.03Å; A410-F414 PolarHBondContact O-N 2.98Å
411L84.7Confident85.7Confident40 Ų4049.8 Ų49.821%0.20924%0.235CC..Hα-helixtrans-63.7-45.6174-73.3172.4000111.7V15 V16 L19 L407 R409 F414 V415V15-L411 HydrophobicContact CG1-CD2 4.45Å; V16-L411 HydrophobicContact CG2-CD2 4.45Å; L19-L411 HydrophobicContact CD2-CD2 3.53Å; L407-L411 HydrophobicContact CD1-CD1 3.9Å; L407-L411 HydrophobicContact CD1-CG 4.01Å; L407-L411 HydrophobicContact CD2-CD1 4.37Å; L407-L411 HydrophobicContact CG-CD1 3.74Å; L407-L411 HydrophobicContact CG-CG 4.27Å; L407-L411 VanDerWaalsContact O-CB 3.32Å; L407-L411 WeakPolarHBondContact O-CB 2.96Å; L407-L411 WeakPolarHBondContact O-CG 2.97Å; L407-L411 PolarHBondContact O-N 2.58Å; R409-L411 VanDerWaalsContact C-N 3.32Å; R409-L411 PolarHBondContact O-N 3.01Å; L411-F414 PolarHBondContact O-N 2.84Å; L411-V415 WeakPolarHBondContact O-CB 3.15Å; L411-V415 WeakPolarHBondContact O-CG2 2.93Å; L411-V415 PolarHBondContact O-N 2.84Å
412F86.3Confident85.9Confident10 Ų1049.5 Ų49.54%0.04423%0.232CC..Hα-helixtrans-61.2-48.5177.5178.7-90.3000111.4I401 S408 R409 F414 V415 Y416 F437 I440 F465I401-F412 HydrophobicContact CD1-CD1 3.67Å; I401-F412 HydrophobicContact CD1-CD2 3.99Å; I401-F412 HydrophobicContact CD1-CE1 3.39Å; I401-F412 HydrophobicContact CD1-CE2 3.72Å; I401-F412 HydrophobicContact CD1-CG 3.97Å; I401-F412 HydrophobicContact CD1-CZ 3.4Å; I401-F412 VanDerWaalsContact CD1-CZ 3.4Å; I401-F412 HydrophobicContact CG1-CD1 4.21Å; I401-F412 HydrophobicContact CG1-CD2 4.3Å; I401-F412 HydrophobicContact CG1-CE1 4.4Å; I401-F412 HydrophobicContact CG1-CE2 4.48Å; I401-F412 HydrophobicContact CG1-CG 4.17Å; I401-F412 HydrophobicContact CG2-CB 4.32Å; I401-F412 HydrophobicContact CG2-CD1 3.89Å; I401-F412 HydrophobicContact CG2-CG 4.16Å; S408-F412 WeakPolarHBondContact O-CB 3.34Å; S408-F412 PolarHBondContact O-N 2.92Å; R409-F412 PolarHBondContact O-N 2.73Å; F412-F414 PolarHBondContact O-N 3.05Å; F412-V415 PolarHBondContact O-N 2.83Å; F412-Y416 HydrophobicContact CE1-CD2 4.2Å; F412-Y416 HydrophobicContact CE1-CG 4.33Å; F412-Y416 AromaticContact CZ-CD2 3.93Å; F412-Y416 HydrophobicContact CZ-CD2 3.93Å; F412-Y416 HydrophobicContact CZ-CG 4.44Å; F412-Y416 WeakPolarHBondContact O-CB 3.2Å; F412-Y416 PolarHBondContact O-N 3.2Å; F412-F437 HydrophobicContact CE2-CD1 4.49Å; F412-F437 AromaticContact CE2-CE1 3.88Å; F412-F437 HydrophobicContact CE2-CE1 3.88Å; F412-I440 HydrophobicContact CD2-CD1 3.94Å; F412-I440 HydrophobicContact CE2-CD1 3.36Å; F412-I440 HydrophobicContact CZ-CD1 4.3Å; F412-F465 HydrophobicContact CE1-CE2 4.24Å; F412-F465 HydrophobicContact CZ-CE2 4.06Å; F412-F465 HydrophobicContact CZ-CZ 4.19Å
413E86.3Confident86.2Confident40 Ų4046.3 Ų46.319%0.18722%0.218CC..Hα-helixtrans-58.2-46.5178.8-75.4178.5164.700111.7T3 Y8 R409 E417T3-E413 PolarHBondContact OG1-OE1 3.08Å; Y8-E413 WeakPolarHBondContact CE2-OE2 3.35Å; Y8-E413 PolarHBondContact OH-OE1 2.86Å; Y8-E413 PolarHBondContact OH-OE2 2.78Å; R409-E413 WeakPolarHBondContact O-CG 3.38Å; R409-E413 PolarHBondContact O-N 2.73Å; E413-E417 PolarHBondContact O-N 3.12Å; E413-E417 VanDerWaalsContact O-N 3.14Å
414F85.8Confident86.5Confident26 Ų2643.3 Ų43.311%0.11421%0.21CC..Hα-helixtrans-62.3-49.1177.8171.1-105.4000112.1V16 L19 R20 M23 A410 L411 F412 E417 E418V16-F414 HydrophobicContact CG1-CB 3.94Å; V16-F414 HydrophobicContact CG1-CD2 4.24Å; V16-F414 HydrophobicContact CG1-CG 3.96Å; L19-F414 HydrophobicContact CB-CE1 4.4Å; L19-F414 HydrophobicContact CD2-CD1 3.69Å; L19-F414 HydrophobicContact CD2-CE1 3.88Å; L19-F414 HydrophobicContact CG-CD1 4.2Å; L19-F414 HydrophobicContact CG-CE1 3.9Å; R20-F414 HydrophobicContact CB-CE1 4.45Å; R20-F414 HydrophobicContact CB-CE2 3.87Å; R20-F414 HydrophobicContact CB-CZ 3.67Å; R20-F414 HydrophobicContact CG-CE2 3.86Å; R20-F414 HydrophobicContact CG-CZ 3.93Å; M23-F414 HydrophobicContact CB-CZ 4.44Å; M23-F414 HydrophobicContact CG-CE1 4.12Å; M23-F414 HydrophobicContact CG-CZ 4.4Å; A410-F414 WeakPolarHBondContact O-CB 3.03Å; A410-F414 PolarHBondContact O-N 2.98Å; L411-F414 PolarHBondContact O-N 2.84Å; F412-F414 PolarHBondContact O-N 3.05Å; F414-E417 PolarHBondContact O-N 2.87Å; F414-E418 WeakPolarHBondContact O-CB 3.44Å; F414-E418 PolarHBondContact O-N 3.16Å
415V85.2Confident86.6Confident0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-70.9-34.3-176.8167.20000112.4L19 L411 F412 K419 L432 I436 F437L19-V415 HydrophobicContact CD2-CG2 3.87Å; L411-V415 WeakPolarHBondContact O-CB 3.15Å; L411-V415 WeakPolarHBondContact O-CG2 2.93Å; L411-V415 PolarHBondContact O-N 2.84Å; F412-V415 PolarHBondContact O-N 2.83Å; V415-K419 WeakPolarHBondContact O-CB 3.5Å; V415-K419 PolarHBondContact O-N 3.38Å; V415-L432 HydrophobicContact CG1-CB 4.26Å; V415-L432 HydrophobicContact CG1-CD1 4.16Å; V415-L432 HydrophobicContact CG1-CD2 4.03Å; V415-L432 HydrophobicContact CG1-CG 4.38Å; V415-L432 HydrophobicContact CG2-CD2 4.35Å; V415-I436 HydrophobicContact CB-CD1 3.73Å; V415-I436 HydrophobicContact CG1-CB 4.29Å; V415-I436 HydrophobicContact CG1-CD1 3.65Å; V415-I436 HydrophobicContact CG1-CG2 4.18Å; V415-I436 HydrophobicContact CG2-CD1 3.21Å; V415-F437 HydrophobicContact CG1-CE2 3.61Å; V415-F437 HydrophobicContact CG1-CZ 4.07Å
416Y88.7Confident86.3Confident30 Ų3042 Ų4212%0.11819%0.194CC..Hα-helixtrans-59.7-50.4172.9178.5-86.3000110.8F412 K419 R420 F465 I468F412-Y416 HydrophobicContact CE1-CD2 4.2Å; F412-Y416 HydrophobicContact CE1-CG 4.33Å; F412-Y416 AromaticContact CZ-CD2 3.93Å; F412-Y416 HydrophobicContact CZ-CD2 3.93Å; F412-Y416 HydrophobicContact CZ-CG 4.44Å; F412-Y416 WeakPolarHBondContact O-CB 3.2Å; F412-Y416 PolarHBondContact O-N 3.2Å; Y416-K419 PolarHBondContact O-N 3.01Å; Y416-R420 WeakPolarHBondContact O-CB 3.37Å; Y416-R420 PolarHBondContact O-N 3.44Å; Y416-F465 HydrophobicContact CD2-CD2 4.2Å; Y416-F465 HydrophobicContact CD2-CE2 4.3Å; Y416-F465 HydrophobicContact CE2-CB 4.35Å; Y416-F465 AromaticContact CE2-CD2 3.35Å; Y416-F465 HydrophobicContact CE2-CD2 3.35Å; Y416-F465 AromaticContact CE2-CE2 3.88Å; Y416-F465 HydrophobicContact CE2-CE2 3.88Å; Y416-F465 HydrophobicContact CE2-CG 4.06Å; Y416-F465 AromaticContact CZ-CD2 3.7Å; Y416-F465 VanDerWaalsContact OH-CA 3.27Å; Y416-F465 WeakPolarHBondContact OH-CA 3.49Å; Y416-I468 HydrophobicContact CD2-CB 4.27Å; Y416-I468 HydrophobicContact CD2-CD1 4.44Å; Y416-I468 HydrophobicContact CD2-CG2 3.54Å; Y416-I468 HydrophobicContact CE1-CD1 4.21Å; Y416-I468 HydrophobicContact CE2-CB 3.87Å; Y416-I468 HydrophobicContact CE2-CD1 3.78Å; Y416-I468 HydrophobicContact CE2-CG1 4.46Å; Y416-I468 HydrophobicContact CE2-CG2 3.67Å; Y416-I468 HydrophobicContact CG-CG2 4.34Å
417E87.9Confident86.1Confident90 Ų9040.5 Ų40.542%0.42119%0.186SC..Hα-helixtrans-67.5-39.5-178-167.361.7-163.700111.8E413 F414 R420 R421E413-E417 PolarHBondContact O-N 3.12Å; E413-E417 VanDerWaalsContact O-N 3.14Å; F414-E417 PolarHBondContact O-N 2.87Å; E417-R420 WeakPolarHBondContact O-CB 3.39Å; E417-R420 PolarHBondContact O-N 2.86Å; E417-R420 IonicContact OE1-CZ 2.71Å; E417-R420 IonicContact OE1-NH1 2.9Å; E417-R420 PolarHBondContact OE1-NH1 2.76Å; E417-R420 IonicContact OE2-NH1 2.63Å; E417-R420 PolarHBondContact OE2-NH1 2.84Å; E417-R420 VanDerWaalsContact OE2-NH1 3.13Å; E417-R421 PolarHBondContact O-N 2.85Å
418E85.5Confident85.6Confident27 Ų2740.3 Ų40.313%0.12619%0.188CC..Hα-helixtrans-64.5-43.6175-178.358.7-170.300111.4M23 N27 F414 R420 R421 R422M23-E418 HydrophobicContact CE-CG 3.55Å; N27-E418 PolarHBondContact ND2-OE1 3.49Å; F414-E418 WeakPolarHBondContact O-CB 3.44Å; F414-E418 PolarHBondContact O-N 3.16Å; E418-R420 VanDerWaalsContact C-N 3.34Å; E418-R420 PolarHBondContact O-N 2.81Å; E418-R421 PolarHBondContact O-N 3.48Å; E418-R421 IonicContact OE1-CZ 2.74Å; E418-R421 IonicContact OE1-NE 3.64Å; E418-R421 IonicContact OE1-NH2 2.94Å; E418-R421 PolarHBondContact OE1-NH2 3.28Å; E418-R421 IonicContact OE2-CZ 3.65Å; E418-R421 IonicContact OE2-NE 3.5Å; E418-R421 PolarHBondContact OE2-NE 3.08Å; E418-R421 IonicContact OE2-NH2 2.77Å; E418-R421 PolarHBondContact OE2-NH2 2.87Å; E418-R422 VanDerWaalsContact O-CG 3.23Å; E418-R422 WeakPolarHBondContact O-CG 3.27Å; E418-R422 PolarHBondContact O-N 2.96Å
419K88.4Confident85.3Confident11 Ų1137.8 Ų37.85%0.04817%0.17CC..Hα-helixtrans-65.3-38.4176.6-178.4166.6174.3-1750112.2V415 Y416 R422 L423 T429 L432 N433 F437 I468 C471V415-K419 WeakPolarHBondContact O-CB 3.5Å; V415-K419 PolarHBondContact O-N 3.38Å; Y416-K419 PolarHBondContact O-N 3.01Å; K419-R422 PolarHBondContact O-N 3.31Å; K419-L423 VanDerWaalsContact O-CB 3.31Å; K419-L423 WeakPolarHBondContact O-CB 3.21Å; K419-L423 PolarHBondContact O-N 3.47Å; K419-T429 WeakPolarHBondContact CD-OG1 3.45Å; K419-T429 WeakPolarHBondContact CG-OG1 3.37Å; K419-L432 HydrophobicContact CB-CD1 4.44Å; K419-N433 VanDerWaalsContact CE-OD1 3.26Å; K419-N433 WeakPolarHBondContact CE-OD1 3.48Å; K419-N433 PolarHBondContact NZ-OD1 2.96Å; K419-F437 HydrophobicContact CB-CE2 4.32Å; K419-F437 HydrophobicContact CD-CD2 3.9Å; K419-F437 HydrophobicContact CD-CE2 3.32Å; K419-F437 HydrophobicContact CD-CZ 3.82Å; K419-F437 HydrophobicContact CG-CE2 4.45Å; K419-I468 HydrophobicContact CB-CG2 4.22Å; K419-I468 HydrophobicContact CD-CG2 3.84Å; K419-I468 WeakPolarHBondContact CE-O 3.42Å; K419-I468 HydrophobicContact CG-CG2 4Å; K419-I468 PolarHBondContact NZ-O 3.12Å; K419-C471 PolarHBondContact NZ-SG 2.78Å
420R88.8Confident84.7Confident88 Ų8837.6 Ų37.633%0.33218%0.177SC..Hα-helixtrans-57.3-52.3174.7179.7-176.9149.5-153.8-3110.9Y416 E417 E418 R422 L423 E424 I468Y416-R420 WeakPolarHBondContact O-CB 3.37Å; Y416-R420 PolarHBondContact O-N 3.44Å; E417-R420 WeakPolarHBondContact O-CB 3.39Å; E417-R420 PolarHBondContact O-N 2.86Å; E417-R420 IonicContact OE1-CZ 2.71Å; E417-R420 IonicContact OE1-NH1 2.9Å; E417-R420 PolarHBondContact OE1-NH1 2.76Å; E417-R420 IonicContact OE2-NH1 2.63Å; E417-R420 PolarHBondContact OE2-NH1 2.84Å; E417-R420 VanDerWaalsContact OE2-NH1 3.13Å; E418-R420 VanDerWaalsContact C-N 3.34Å; E418-R420 PolarHBondContact O-N 2.81Å; R420-R422 PolarHBondContact O-N 2.81Å; R420-L423 WeakPolarHBondContact O-CB 3.37Å; R420-L423 PolarHBondContact O-N 3.4Å; R420-E424 WeakPolarHBondContact CG-OE1 3.45Å; R420-E424 IonicContact NE-OE1 3.96Å; R420-E424 PolarHBondContact NE-OE1 2.73Å; R420-E424 WeakPolarHBondContact O-CG 3.2Å; R420-E424 PolarHBondContact O-N 3.19Å; R420-I468 HydrophobicContact CB-CD1 3.59Å; R420-I468 HydrophobicContact CG-CD1 3.96Å
421R87.9Confident84.1Confident94 Ų9441.4 Ų41.436%0.35519%0.193SC..Hα-helixtrans-57.1-48.3177.6-174.7-173.669.187.2-4.7111.5E417 E418 L423 E424 E425E417-R421 PolarHBondContact O-N 2.85Å; E418-R421 PolarHBondContact O-N 3.48Å; E418-R421 IonicContact OE1-CZ 2.74Å; E418-R421 IonicContact OE1-NE 3.64Å; E418-R421 IonicContact OE1-NH2 2.94Å; E418-R421 PolarHBondContact OE1-NH2 3.28Å; E418-R421 IonicContact OE2-CZ 3.65Å; E418-R421 IonicContact OE2-NE 3.5Å; E418-R421 PolarHBondContact OE2-NE 3.08Å; E418-R421 IonicContact OE2-NH2 2.77Å; E418-R421 PolarHBondContact OE2-NH2 2.87Å; R421-L423 VanDerWaalsContact C-N 3.32Å; R421-L423 PolarHBondContact O-N 3.08Å; R421-E424 PolarHBondContact O-N 3.01Å; R421-E425 IonicContact CZ-OE1 4Å; R421-E425 IonicContact NH1-OE1 3.73Å; R421-E425 PolarHBondContact NH1-OE1 3.07Å; R421-E425 IonicContact NH1-OE2 3.73Å; R421-E425 PolarHBondContact NH1-OE2 3.13Å; R421-E425 WeakPolarHBondContact O-CG 3.49Å; R421-E425 PolarHBondContact O-N 3.46Å; R421-E425 VanDerWaalsContact O-N 3.09Å
422R87Confident83.6Confident14 Ų1439.6 Ų39.65%0.05318%0.183CC..Hα-helixtrans-63.5-37.1179.7-64.3-65-78.3156.2-6.9112.5N27 E418 K419 R420 E425 G426 Y427 T429N27-R422 PolarHBondContact OD1-NE 3.14Å; E418-R422 VanDerWaalsContact O-CG 3.23Å; E418-R422 WeakPolarHBondContact O-CG 3.27Å; E418-R422 PolarHBondContact O-N 2.96Å; K419-R422 PolarHBondContact O-N 3.31Å; R420-R422 PolarHBondContact O-N 2.81Å; R422-E425 IonicContact NH1-OE2 2.76Å; R422-E425 PolarHBondContact NH1-OE2 3.39Å; R422-E425 CarbonylContact O-C 3.51Å; R422-E425 PolarHBondContact O-N 2.65Å; R422-G426 PolarHBondContact O-N 2.75Å; R422-Y427 VanDerWaalsContact CZ-CG 3.41Å; R422-Y427 WeakPolarHBondContact O-CA 3.23Å; R422-Y427 WeakPolarHBondContact O-CB 3.39Å; R422-Y427 PolarHBondContact O-N 2.87Å; R422-T429 HydrophobicContact CB-CG2 3.86Å; R422-T429 HydrophobicContact CG-CG2 4.18Å
423L86.6Confident83.2Confident20 Ų2040.4 Ų40.411%0.10519%0.188CC..Hα-helixtrans-65.3-42.7175.7-179.568.1000111.7K419 R420 R421 E425 G426 T467 I468 L495K419-L423 VanDerWaalsContact O-CB 3.31Å; K419-L423 WeakPolarHBondContact O-CB 3.21Å; K419-L423 PolarHBondContact O-N 3.47Å; R420-L423 WeakPolarHBondContact O-CB 3.37Å; R420-L423 PolarHBondContact O-N 3.4Å; R421-L423 VanDerWaalsContact C-N 3.32Å; R421-L423 PolarHBondContact O-N 3.08Å; L423-E425 PolarHBondContact O-N 3.16Å; L423-G426 PolarHBondContact O-N 3.38Å; L423-T467 HydrophobicContact CD2-CG2 3.78Å; L423-I468 HydrophobicContact CD2-CG1 4.14Å; L423-L495 HydrophobicContact CD1-CD2 3.98Å; L423-L495 HydrophobicContact CG-CD2 4.34Å
424E85.4Confident82.7Confident86 Ų8647.8 Ų47.840%0.40221%0.214SC..Hα-helixtrans-63-31.2176-71.3168.5-170.700111.9R420 R421 G426 R464R420-E424 WeakPolarHBondContact CG-OE1 3.45Å; R420-E424 IonicContact NE-OE1 3.96Å; R420-E424 PolarHBondContact NE-OE1 2.73Å; R420-E424 WeakPolarHBondContact O-CG 3.2Å; R420-E424 PolarHBondContact O-N 3.19Å; R421-E424 PolarHBondContact O-N 3.01Å; E424-G426 VanDerWaalsContact C-N 3.26Å; E424-G426 PolarHBondContact O-N 3.48Å; E424-R464 VanDerWaalsContact CG-NH1 3.26Å; E424-R464 IonicContact OE1-NH1 3.15Å
425E85.7Confident82.1Confident70 Ų7051.6 Ų51.633%0.32724%0.236SC..THydrogen-bonded Turntrans-80.82.3172.1-66.8168.8-173.200113.9R421 R422 L423 Y427R421-E425 IonicContact CZ-OE1 4Å; R421-E425 IonicContact NH1-OE1 3.73Å; R421-E425 PolarHBondContact NH1-OE1 3.07Å; R421-E425 IonicContact NH1-OE2 3.73Å; R421-E425 PolarHBondContact NH1-OE2 3.13Å; R421-E425 WeakPolarHBondContact O-CG 3.49Å; R421-E425 PolarHBondContact O-N 3.46Å; R421-E425 VanDerWaalsContact O-N 3.09Å; R422-E425 IonicContact NH1-OE2 2.76Å; R422-E425 PolarHBondContact NH1-OE2 3.39Å; R422-E425 CarbonylContact O-C 3.51Å; R422-E425 PolarHBondContact O-N 2.65Å; L423-E425 PolarHBondContact O-N 3.16Å; E425-Y427 VanDerWaalsContact C-N 3.34Å; E425-Y427 HydrophobicContact CB-CD2 3.6Å; E425-Y427 HydrophobicContact CB-CE2 3.9Å; E425-Y427 WeakPolarHBondContact O-CD2 3.33Å; E425-Y427 PolarHBondContact O-N 2.77Å
426G82.5Confident81.7Confident0 Ų053.3 Ų53.30%024%0.244CC..THydrogen-bonded Turntrans81.51.9179.700000115.8R43 R422 L423 E424R43-G426 WeakPolarHBondContact CD-O 3.29Å; R422-G426 PolarHBondContact O-N 2.75Å; L423-G426 PolarHBondContact O-N 3.38Å; E424-G426 VanDerWaalsContact C-N 3.26Å; E424-G426 PolarHBondContact O-N 3.48Å
427Y81.5Confident81.4Confident28 Ų2851.9 Ų51.911%0.1124%0.239CC..  trans-79154.1179.3-68.4-98.1000112.3F34 P40 R422 E425F34-Y427 HydrophobicContact CB-CD1 3.91Å; F34-Y427 HydrophobicContact CB-CE1 3.96Å; F34-Y427 AromaticContact CD1-CD1 3.92Å; F34-Y427 HydrophobicContact CD1-CD1 3.92Å; F34-Y427 HydrophobicContact CG-CD1 4.19Å; P40-Y427 HydrophobicContact CB-CD1 4.13Å; P40-Y427 HydrophobicContact CB-CD2 3.8Å; P40-Y427 HydrophobicContact CB-CE1 4.07Å; P40-Y427 HydrophobicContact CB-CE2 3.71Å; P40-Y427 HydrophobicContact CB-CG 4.01Å; P40-Y427 HydrophobicContact CG-CD1 3.55Å; P40-Y427 HydrophobicContact CG-CD2 4.14Å; P40-Y427 HydrophobicContact CG-CE1 3.37Å; P40-Y427 HydrophobicContact CG-CE2 3.97Å; P40-Y427 HydrophobicContact CG-CG 3.94Å; R422-Y427 VanDerWaalsContact CZ-CG 3.41Å; R422-Y427 WeakPolarHBondContact O-CA 3.23Å; R422-Y427 WeakPolarHBondContact O-CB 3.39Å; R422-Y427 PolarHBondContact O-N 2.87Å; E425-Y427 VanDerWaalsContact C-N 3.34Å; E425-Y427 HydrophobicContact CB-CD2 3.6Å; E425-Y427 HydrophobicContact CB-CE2 3.9Å; E425-Y427 WeakPolarHBondContact O-CD2 3.33Å; E425-Y427 PolarHBondContact O-N 2.77Å
428S74.7Confident81Confident40 Ų4052.8 Ų52.828%0.2824%0.238SC..  trans-99.2160.6164.180.30000110.7F34 P430F34-S428 WeakPolarHBondContact CE1-O 3.38Å; F34-S428 WeakPolarHBondContact CE1-OG 3.27Å; S428-P430 VanDerWaalsContact C-CD 3.48Å
429T78.1Confident80.6Confident5 Ų556.1 Ų56.13%0.03126%0.257CS..  trans-129.761.3-177.3510000111.4K419 R422 F431 L432 N433K419-T429 WeakPolarHBondContact CD-OG1 3.45Å; K419-T429 WeakPolarHBondContact CG-OG1 3.37Å; R422-T429 HydrophobicContact CB-CG2 3.86Å; R422-T429 HydrophobicContact CG-CG2 4.18Å; T429-F431 VanDerWaalsContact C-N 3.28Å; T429-F431 PolarHBondContact O-N 3.03Å; T429-L432 HydrophobicContact CG2-CD1 3.93Å; T429-L432 PolarHBondContact O-N 3.32Å; T429-L432 VanDerWaalsContact O-N 3.08Å; T429-N433 WeakPolarHBondContact O-CB 3.35Å; T429-N433 PolarHBondContact O-N 2.76Å; T429-N433 PolarHBondContact O-ND2 3.21Å; T429-N433 PolarHBondContact O-OD1 3.41Å; T429-N433 VanDerWaalsContact O-OD1 3.13Å; T429-N433 PolarHBondContact OG1-OD1 2.73Å
430P75.2Confident80.2Confident63 Ų6356.3 Ų56.341%0.40926%0.258SS..Hα-helixtrans-57.9-36.9-170.622.8-32.4000113.3F34 S428 N433 R434F34-P430 HydrophobicContact CZ-CG 3.83Å; S428-P430 VanDerWaalsContact C-CD 3.48Å; P430-N433 WeakPolarHBondContact O-CB 3.49Å; P430-N433 PolarHBondContact O-N 2.83Å; P430-R434 PolarHBondContact O-N 3.33Å; P430-R434 VanDerWaalsContact O-N 3.13Å
431F74.1Confident80Confident88 Ų8854.1 Ų54.139%0.38625%0.25SS..Hα-helixtrans-64.6-49.8175.3-175.8-86.2000112.1W22 Y26 T429 N433 R434 L435W22-F431 AromaticContact CH2-CD1 3.27Å; W22-F431 HydrophobicContact CH2-CD1 3.27Å; W22-F431 HydrophobicContact CH2-CD2 4.29Å; W22-F431 AromaticContact CH2-CE1 3.06Å; W22-F431 HydrophobicContact CH2-CE1 3.06Å; W22-F431 HydrophobicContact CH2-CE2 4.14Å; W22-F431 AromaticContact CH2-CG 3.88Å; W22-F431 HydrophobicContact CH2-CG 3.88Å; W22-F431 AromaticContact CH2-CZ 3.54Å; W22-F431 HydrophobicContact CH2-CZ 3.54Å; W22-F431 HydrophobicContact CZ2-CD1 4.3Å; W22-F431 AromaticContact CZ2-CE1 3.86Å; W22-F431 HydrophobicContact CZ2-CE1 3.86Å; W22-F431 HydrophobicContact CZ2-CE2 4.3Å; W22-F431 AromaticContact CZ2-CZ 3.85Å; W22-F431 HydrophobicContact CZ2-CZ 3.85Å; W22-F431 AromaticContact CZ3-CD1 3.8Å; W22-F431 HydrophobicContact CZ3-CD1 3.8Å; W22-F431 AromaticContact CZ3-CE1 3.56Å; W22-F431 HydrophobicContact CZ3-CE1 3.56Å; W22-F431 HydrophobicContact CZ3-CZ 4.36Å; Y26-F431 HydrophobicContact CE2-CB 4.14Å; T429-F431 VanDerWaalsContact C-N 3.28Å; T429-F431 PolarHBondContact O-N 3.03Å; F431-N433 VanDerWaalsContact C-N 3.27Å; F431-N433 PolarHBondContact O-N 3.33Å; F431-R434 PolarHBondContact O-N 3.13Å; F431-R434 VanDerWaalsContact O-N 3.16Å; F431-L435 HydrophobicContact CE1-CB 4.32Å; F431-L435 HydrophobicContact CE1-CD2 3.8Å; F431-L435 HydrophobicContact CZ-CD2 4.24Å; F431-L435 PolarHBondContact O-N 2.7Å
432L75Confident79.8Confident1 Ų152.7 Ų52.71%0.00525%0.249CC..Hα-helixtrans-61.9-38.6177.7-61.8179.5000111.6M23 V415 K419 T429 R434 L435 I436 F437M23-L432 HydrophobicContact CE-CD1 3.49Å; M23-L432 VanDerWaalsContact CE-CD1 3.49Å; M23-L432 HydrophobicContact CE-CD2 3.93Å; M23-L432 HydrophobicContact CE-CG 3.98Å; M23-L432 HydrophobicContact SD-CD1 4.4Å; M23-L432 HydrophobicContact SD-CD2 3.7Å; M23-L432 HydrophobicContact SD-CG 4.28Å; V415-L432 HydrophobicContact CG1-CB 4.26Å; V415-L432 HydrophobicContact CG1-CD1 4.16Å; V415-L432 HydrophobicContact CG1-CD2 4.03Å; V415-L432 HydrophobicContact CG1-CG 4.38Å; V415-L432 HydrophobicContact CG2-CD2 4.35Å; K419-L432 HydrophobicContact CB-CD1 4.44Å; T429-L432 HydrophobicContact CG2-CD1 3.93Å; T429-L432 PolarHBondContact O-N 3.32Å; T429-L432 VanDerWaalsContact O-N 3.08Å; L432-R434 VanDerWaalsContact C-N 3.27Å; L432-R434 PolarHBondContact O-N 3.45Å; L432-L435 PolarHBondContact O-N 3.37Å; L432-I436 PolarHBondContact O-N 3.07Å; L432-I436 VanDerWaalsContact O-N 3.08Å; L432-F437 PolarHBondContact O-N 3.11Å
433N77.1Confident79.5Confident27 Ų2754 Ų5414%0.14426%0.259CS..Hα-helixtrans-56.7-44.9176.5-65-11.4000110.7K419 T429 P430 F431 R438 R441 C471K419-N433 VanDerWaalsContact CE-OD1 3.26Å; K419-N433 WeakPolarHBondContact CE-OD1 3.48Å; K419-N433 PolarHBondContact NZ-OD1 2.96Å; T429-N433 WeakPolarHBondContact O-CB 3.35Å; T429-N433 PolarHBondContact O-N 2.76Å; T429-N433 PolarHBondContact O-ND2 3.21Å; T429-N433 PolarHBondContact O-OD1 3.41Å; T429-N433 VanDerWaalsContact O-OD1 3.13Å; T429-N433 PolarHBondContact OG1-OD1 2.73Å; P430-N433 WeakPolarHBondContact O-CB 3.49Å; P430-N433 PolarHBondContact O-N 2.83Å; F431-N433 VanDerWaalsContact C-N 3.27Å; F431-N433 PolarHBondContact O-N 3.33Å; N433-R438 PolarHBondContact O-N 2.95Å; N433-R441 PolarHBondContact O-NH2 3.02Å; N433-C471 HydrophobicContact CB-CB 4.26Å; N433-C471 VanDerWaalsContact CG-SG 3.57Å; N433-C471 PolarHBondContact OD1-SG 3.47Å; N433-C471 VanDerWaalsContact OD1-SG 3.37Å
434R75Confident79.5Confident195 Ų19553.1 Ų53.174%0.73625%0.254SS*.Hα-helixtrans-74.9-40.1-177.8-167.8172.9-178.1139.5-0.2113.1P430 F431 L432 R438P430-R434 PolarHBondContact O-N 3.33Å; P430-R434 VanDerWaalsContact O-N 3.13Å; F431-R434 PolarHBondContact O-N 3.13Å; F431-R434 VanDerWaalsContact O-N 3.16Å; L432-R434 VanDerWaalsContact C-N 3.27Å; L432-R434 PolarHBondContact O-N 3.45Å; R434-R438 WeakPolarHBondContact O-CB 3.18Å
435L74.2Confident79.5Confident107 Ų10749.1 Ų49.156%0.5624%0.236SC*.Hα-helixtrans-79.4-47-173.3-170.870.6000113.2F431 L432F431-L435 HydrophobicContact CE1-CB 4.32Å; F431-L435 HydrophobicContact CE1-CD2 3.8Å; F431-L435 HydrophobicContact CZ-CD2 4.24Å; F431-L435 PolarHBondContact O-N 2.7Å; L432-L435 PolarHBondContact O-N 3.37Å
436I76.9Confident79.6Confident36 Ų3649 Ų4919%0.18524%0.236CC..THydrogen-bonded Turntrans-108.5-47-166.8-69.1166.8000111.4V415 L432 R438V415-I436 HydrophobicContact CB-CD1 3.73Å; V415-I436 HydrophobicContact CG1-CB 4.29Å; V415-I436 HydrophobicContact CG1-CD1 3.65Å; V415-I436 HydrophobicContact CG1-CG2 4.18Å; V415-I436 HydrophobicContact CG2-CD1 3.21Å; L432-I436 PolarHBondContact O-N 3.07Å; L432-I436 VanDerWaalsContact O-N 3.08Å; I436-R438 VanDerWaalsContact C-N 3.31Å; I436-R438 PolarHBondContact O-N 3.27Å
437F81Confident80Confident0 Ų052.4 Ų52.40%025%0.248CC..SBendtrans-79.8-11.3-174.5-67.8-74.6000114F412 V415 K419 L432 N439 I440 R441 I468 C471F412-F437 HydrophobicContact CE2-CD1 4.49Å; F412-F437 AromaticContact CE2-CE1 3.88Å; F412-F437 HydrophobicContact CE2-CE1 3.88Å; V415-F437 HydrophobicContact CG1-CE2 3.61Å; V415-F437 HydrophobicContact CG1-CZ 4.07Å; K419-F437 HydrophobicContact CB-CE2 4.32Å; K419-F437 HydrophobicContact CD-CD2 3.9Å; K419-F437 HydrophobicContact CD-CE2 3.32Å; K419-F437 HydrophobicContact CD-CZ 3.82Å; K419-F437 HydrophobicContact CG-CE2 4.45Å; L432-F437 PolarHBondContact O-N 3.11Å; F437-N439 VanDerWaalsContact C-N 3.34Å; F437-N439 PolarHBondContact O-N 3.18Å; F437-I440 HydrophobicContact CD1-CD1 4.16Å; F437-I440 PolarHBondContact O-N 3.5Å; F437-I440 VanDerWaalsContact O-N 3.09Å; F437-R441 WeakPolarHBondContact O-CG 3.43Å; F437-R441 PolarHBondContact O-N 2.67Å; F437-I468 HydrophobicContact CE1-CG2 3.95Å; F437-I468 HydrophobicContact CZ-CG2 3.75Å; F437-C471 WeakPolarHBondContact CB-SG 3.49Å
438R80.2Confident80.4Confident109 Ų10951.6 Ų51.641%0.41125%0.246SC..Hα-helixtrans-52.3-51.2177.1-175.2179.5179.4-173.51.3111.5N433 R434 I436 I440 R441 N442 E446N433-R438 PolarHBondContact O-N 2.95Å; R434-R438 WeakPolarHBondContact O-CB 3.18Å; I436-R438 VanDerWaalsContact C-N 3.31Å; I436-R438 PolarHBondContact O-N 3.27Å; R438-I440 PolarHBondContact O-N 2.91Å; R438-R441 PolarHBondContact O-N 2.96Å; R438-R441 VanDerWaalsContact O-N 3.11Å; R438-N442 VanDerWaalsContact O-CG 3.29Å; R438-N442 PolarHBondContact O-N 3.01Å; R438-N442 PolarHBondContact O-OD1 3.48Å; R438-E446 IonicContact CZ-OE1 3.89Å; R438-E446 IonicContact NE-OE1 3.19Å; R438-E446 PolarHBondContact NE-OE1 2.9Å; R438-E446 IonicContact NE-OE2 2.72Å; R438-E446 IonicContact NH2-OE1 3.19Å; R438-E446 PolarHBondContact NH2-OE1 2.86Å; R438-E446 VanDerWaalsContact NH2-OE1 3.08Å; R438-E446 IonicContact NH2-OE2 3.42Å
439N77.9Confident81.1Confident96 Ų9653.3 Ų53.351%0.51325%0.246SC..Hα-helixtrans-60.8-25.7-178.7-67.8-14.2000114.2R400 F437R400-N439 PolarHBondContact NH1-O 3.41Å; F437-N439 VanDerWaalsContact C-N 3.34Å; F437-N439 PolarHBondContact O-N 3.18Å
440I80.4Confident81.7Confident15 Ų1553.1 Ų53.18%0.07725%0.245CC..Hα-helixtrans-84.6-42.8178.2-61.5170.5000110.2V397 F412 F437 R438 N442 V443 C469V397-I440 HydrophobicContact CG1-CD1 4.13Å; V397-I440 HydrophobicContact CG1-CG1 4.29Å; V397-I440 HydrophobicContact CG1-CG2 3.85Å; V397-I440 HydrophobicContact CG2-CG2 3.83Å; F412-I440 HydrophobicContact CD2-CD1 3.94Å; F412-I440 HydrophobicContact CE2-CD1 3.36Å; F412-I440 HydrophobicContact CZ-CD1 4.3Å; F437-I440 HydrophobicContact CD1-CD1 4.16Å; F437-I440 PolarHBondContact O-N 3.5Å; F437-I440 VanDerWaalsContact O-N 3.09Å; R438-I440 PolarHBondContact O-N 2.91Å; I440-N442 VanDerWaalsContact C-N 3.25Å; I440-N442 PolarHBondContact O-N 2.77Å; I440-V443 WeakPolarHBondContact O-CB 3.36Å; I440-V443 WeakPolarHBondContact O-CG2 3.3Å; I440-V443 PolarHBondContact O-N 3.1Å; I440-C469 HydrophobicContact CG2-CB 3.85Å
441R84Confident82.6Confident43 Ų4350.1 Ų50.116%0.16223%0.226CC..Hα-helixtrans-56.3-40.2174.5-73.5-174.3-69.1158.63112.2N433 F437 R438 V443 L444 G445 F470N433-R441 PolarHBondContact O-NH2 3.02Å; F437-R441 WeakPolarHBondContact O-CG 3.43Å; F437-R441 PolarHBondContact O-N 2.67Å; R438-R441 PolarHBondContact O-N 2.96Å; R438-R441 VanDerWaalsContact O-N 3.11Å; R441-V443 PolarHBondContact O-N 3.26Å; R441-L444 PolarHBondContact O-N 2.91Å; R441-G445 CarbonylContact C-O 3.56Å; R441-G445 CarbonylContact O-C 3.53Å; R441-G445 PolarHBondContact O-N 3.46Å; R441-F470 WeakPolarHBondContact CD-O 3.33Å; R441-F470 HydrophobicContact CG-CD1 4.47Å; R441-F470 WeakPolarHBondContact CG-O 3.49Å
442N83.1Confident83.5Confident64 Ų6446.6 Ų46.634%0.34221%0.211SC..THydrogen-bonded Turntrans-57.7-16.3-179.2-67.824.8000114.2R438 I440 L444 E446R438-N442 VanDerWaalsContact O-CG 3.29Å; R438-N442 PolarHBondContact O-N 3.01Å; R438-N442 PolarHBondContact O-OD1 3.48Å; I440-N442 VanDerWaalsContact C-N 3.25Å; I440-N442 PolarHBondContact O-N 2.77Å; N442-L444 VanDerWaalsContact C-N 3.33Å; N442-E446 PolarHBondContact ND2-OE1 2.89Å; N442-E446 WeakPolarHBondContact OD1-CG 3.49Å; N442-E446 PolarHBondContact OD1-OE1 3.4Å; N442-E446 VanDerWaalsContact OD1-OE1 3.07Å
443V81.9Confident84.3Confident41 Ų4146.6 Ų46.625%0.24821%0.211CC..THydrogen-bonded Turntrans-63.4-39.2173.4178.20000111.7T361 I440 R441T361-V443 HydrophobicContact CG2-CG1 4.2Å; I440-V443 WeakPolarHBondContact O-CB 3.36Å; I440-V443 WeakPolarHBondContact O-CG2 3.3Å; I440-V443 PolarHBondContact O-N 3.1Å; R441-V443 PolarHBondContact O-N 3.26Å
444L86.1Confident84.9Confident2 Ų245.5 Ų45.51%0.0121%0.206CC..THydrogen-bonded Turntrans-110.2-5.5177.9-65.2-176.1000113.5L360 C375 P380 I383 I393 R441 N442 L448 F470L360-L444 HydrophobicContact CD2-CD2 4.48Å; C375-L444 WeakPolarHBondContact CB-O 3.2Å; P380-L444 VanDerWaalsContact CD-O 3.28Å; P380-L444 WeakPolarHBondContact CD-O 3.3Å; P380-L444 WeakPolarHBondContact CG-O 3.29Å; I383-L444 HydrophobicContact CD1-CD2 4.45Å; I393-L444 HydrophobicContact CD1-CD1 4.04Å; I393-L444 HydrophobicContact CD1-CD2 3.93Å; I393-L444 HydrophobicContact CD1-CG 4.36Å; R441-L444 PolarHBondContact O-N 2.91Å; N442-L444 VanDerWaalsContact C-N 3.33Å; L444-L448 HydrophobicContact CB-CD2 4.37Å; L444-L448 HydrophobicContact CD1-CD2 4.2Å; L444-F470 HydrophobicContact CB-CE1 4.12Å; L444-F470 HydrophobicContact CD1-CD1 4.38Å; L444-F470 HydrophobicContact CD1-CD2 4.49Å; L444-F470 HydrophobicContact CD1-CE1 3.73Å; L444-F470 HydrophobicContact CD1-CE2 3.81Å; L444-F470 HydrophobicContact CD1-CZ 3.41Å; L444-F470 VanDerWaalsContact CD1-CZ 3.41Å; L444-F470 HydrophobicContact CG-CE1 3.87Å; L444-F470 HydrophobicContact CG-CZ 3.82Å
445G85.4Confident85.3Confident2 Ų237.7 Ų37.72%0.02119%0.186CC..  trans121.3144.5-175.800000112.1N379 R441 R447N379-G445 WeakPolarHBondContact OD1-CA 3.35Å; R441-G445 CarbonylContact C-O 3.56Å; R441-G445 CarbonylContact O-C 3.53Å; R441-G445 PolarHBondContact O-N 3.46Å; G445-R447 VanDerWaalsContact C-N 3.26Å; G445-R447 PolarHBondContact O-N 3.24Å
446E86.6Confident85.7Confident68 Ų6834.6 Ų34.632%0.31818%0.175SC..THydrogen-bonded Turntrans-70.9-23.7179-78.2-171.4176.400113N379 R438 N442N379-E446 PolarHBondContact OD1-N 2.72Å; R438-E446 IonicContact CZ-OE1 3.89Å; R438-E446 IonicContact NE-OE1 3.19Å; R438-E446 PolarHBondContact NE-OE1 2.9Å; R438-E446 IonicContact NE-OE2 2.72Å; R438-E446 IonicContact NH2-OE1 3.19Å; R438-E446 PolarHBondContact NH2-OE1 2.86Å; R438-E446 VanDerWaalsContact NH2-OE1 3.08Å; R438-E446 IonicContact NH2-OE2 3.42Å; N442-E446 PolarHBondContact ND2-OE1 2.89Å; N442-E446 WeakPolarHBondContact OD1-CG 3.49Å; N442-E446 PolarHBondContact OD1-OE1 3.4Å; N442-E446 VanDerWaalsContact OD1-OE1 3.07Å
447R90.9Very high85.8Confident71 Ų7136 Ų3627%0.26819%0.187SC..THydrogen-bonded Turntrans-96.76.6-170.2-67.5179.261.2-166.8-16.8114.6D324 N379 P380 T381 G445 R449D324-R447 PolarHBondContact O-NH1 3.34Å; D324-R447 PolarHBondContact O-NH2 3.12Å; D324-R447 IonicContact OD1-CZ 3.57Å; D324-R447 IonicContact OD1-NH1 2.78Å; D324-R447 PolarHBondContact OD1-NH1 3.39Å; D324-R447 IonicContact OD1-NH2 3.49Å; D324-R447 PolarHBondContact OD1-NH2 2.83Å; D324-R447 IonicContact OD2-CZ 3.38Å; D324-R447 IonicContact OD2-NH1 3.42Å; D324-R447 IonicContact OD2-NH2 2.73Å; D324-R447 PolarHBondContact OD2-NH2 2.79Å; N379-R447 WeakPolarHBondContact ND2-CD 3.48Å; N379-R447 VanDerWaalsContact ND2-CG 3.33Å; N379-R447 WeakPolarHBondContact ND2-CG 3.14Å; N379-R447 PolarHBondContact OD1-N 2.76Å; N379-R447 VanDerWaalsContact OD1-N 3.13Å; P380-R447 CarbonylContact O-C 3.51Å; T381-R447 WeakPolarHBondContact CA-O 3.33Å; T381-R447 HydrophobicContact CG2-CB 4.01Å; G445-R447 VanDerWaalsContact C-N 3.26Å; G445-R447 PolarHBondContact O-N 3.24Å; R447-R449 WeakPolarHBondContact O-CG 3.45Å; R447-R449 PolarHBondContact O-N 3.29Å
448L90.8Very high86Confident10 Ų1036.4 Ų36.45%0.05219%0.189CC..  trans-59.4124.8-178.3-15970.1000111.3P380 I383 L444 V451 F470P380-L448 WeakPolarHBondContact O-CA 3.31Å; P380-L448 PolarHBondContact O-N 2.95Å; I383-L448 HydrophobicContact CB-CD1 4.22Å; I383-L448 HydrophobicContact CG2-CD1 3.7Å; I383-L448 HydrophobicContact CG2-CD2 4.41Å; L444-L448 HydrophobicContact CB-CD2 4.37Å; L444-L448 HydrophobicContact CD1-CD2 4.2Å; L448-V451 HydrophobicContact CD1-CG2 4.45Å; L448-V451 HydrophobicContact CD2-CG2 3.42Å; L448-V451 VanDerWaalsContact CD2-CG2 3.42Å; L448-V451 HydrophobicContact CG-CG2 4.02Å; L448-F470 HydrophobicContact CD2-CB 4.14Å; L448-F470 HydrophobicContact CD2-CD1 4.17Å; L448-F470 HydrophobicContact CD2-CG 4.09Å
449R90Very high86.1Confident76 Ų7631.7 Ų31.729%0.28717%0.173SC..  trans-117.9-24-178.2-69.3166.966.9-156.45.5112.5F318 S319 T321 D325 T381 R447 C472 P473F318-R449 HydrophobicContact CD2-CB 3.81Å; F318-R449 HydrophobicContact CE2-CB 3.86Å; S319-R449 PolarHBondContact O-NH1 3.41Å; S319-R449 PolarHBondContact O-NH2 2.98Å; T321-R449 PolarHBondContact OG1-NH1 3.06Å; D325-R449 IonicContact OD1-CZ 3.68Å; D325-R449 IonicContact OD1-NH1 3.98Å; D325-R449 PolarHBondContact OD1-NH1 3.23Å; D325-R449 IonicContact OD2-NH1 2.92Å; D325-R449 PolarHBondContact OD2-NH1 3.44Å; T381-R449 PolarHBondContact O-N 3.28Å; R447-R449 WeakPolarHBondContact O-CG 3.45Å; R447-R449 PolarHBondContact O-N 3.29Å; R449-C472 WeakPolarHBondContact O-CB 3.47Å; R449-P473 WeakPolarHBondContact O-CD 3.5Å
450L90.7Very high86.5Confident1 Ų130 Ų301%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-149.8136.1-179.3177.265000110.5L313 F318 T381 V382 I383 P473L313-L450 HydrophobicContact CB-CD2 4.1Å; L313-L450 HydrophobicContact CD1-CD2 4.12Å; L313-L450 HydrophobicContact CD2-CD1 4.22Å; L313-L450 HydrophobicContact CD2-CD2 3.8Å; L313-L450 HydrophobicContact CG-CD2 4.2Å; F318-L450 HydrophobicContact CD1-CD2 4.19Å; F318-L450 HydrophobicContact CD2-CB 4.23Å; F318-L450 HydrophobicContact CE1-CD2 4.32Å; F318-L450 HydrophobicContact CE2-CB 4.37Å; F318-L450 HydrophobicContact CG-CD2 4.47Å; T381-L450 PolarHBondContact O-N 3.09Å; V382-L450 WeakPolarHBondContact CA-O 3.43Å; V382-L450 HydrophobicContact CG1-CB 4.45Å; V382-L450 HydrophobicContact CG1-CD2 4.22Å; V382-L450 HydrophobicContact CG1-CG 4.47Å; V382-L450 HydrophobicContact CG2-CB 4.42Å; I383-L450 PolarHBondContact N-O 3.39Å; L450-P473 HydrophobicContact CD1-CB 4.47Å
451V92.6Very high86.6Confident1 Ų133.1 Ų33.11%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-120.5119.3169.3-177.80000108.7I383 V385 M390 L448 P473 V474 S475I383-V451 HydrophobicContact CG2-CB 4.31Å; I383-V451 HydrophobicContact CG2-CG1 4.03Å; I383-V451 HydrophobicContact CG2-CG2 3.87Å; I383-V451 WeakPolarHBondContact O-CA 3.01Å; V385-V451 HydrophobicContact CG1-CG1 4.31Å; V385-V451 HydrophobicContact CG2-CG1 3.71Å; M390-V451 HydrophobicContact CE-CG1 3.68Å; L448-V451 HydrophobicContact CD1-CG2 4.45Å; L448-V451 HydrophobicContact CD2-CG2 3.42Å; L448-V451 VanDerWaalsContact CD2-CG2 3.42Å; L448-V451 HydrophobicContact CG-CG2 4.02Å; V451-P473 PolarHBondContact N-O 3.29Å; V451-V474 HydrophobicContact CB-CG2 4.16Å; V451-V474 HydrophobicContact CG1-CG1 4.4Å; V451-V474 CarbonylContact O-C 3.58Å; V451-V474 WeakPolarHBondContact O-CA 3.48Å; V451-S475 PolarHBondContact O-N 3.25Å
452L92.8Very high86.6Confident14 Ų1431 Ų317%0.07318%0.176CC..EExtended strand (participates in β ladder)trans-91126.2170.7-172.799.5000108.2L313 L337 I383 A384 V385 L489L313-L452 HydrophobicContact CD1-CD1 4.05Å; L313-L452 HydrophobicContact CD2-CD1 4.18Å; L337-L452 HydrophobicContact CD1-CD2 3.72Å; I383-L452 PolarHBondContact O-N 3.03Å; A384-L452 CarbonylContact C-O 3.56Å; A384-L452 WeakPolarHBondContact CA-O 3.46Å; A384-L452 HydrophobicContact CB-CB 4.39Å; A384-L452 HydrophobicContact CB-CD2 4.09Å; V385-L452 PolarHBondContact N-O 3.08Å; L452-L489 HydrophobicContact CD1-CD1 3.63Å; L452-L489 HydrophobicContact CD1-CD2 4.3Å
453C92.2Very high86.9Confident1 Ų128.3 Ų28.31%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-119.2127.4175.3-170.80000110.4V385 L458 V474 S475 Q476 G477V385-C453 HydrophobicContact CG2-CB 4.03Å; V385-C453 WeakPolarHBondContact O-CA 3.27Å; C453-L458 HydrophobicContact CB-CD2 4.28Å; C453-V474 HydrophobicContact CB-CG1 4.19Å; C453-S475 PolarHBondContact N-O 2.79Å; C453-Q476 WeakPolarHBondContact O-CA 3.46Å; C453-G477 PolarHBondContact O-N 2.94Å
454G90.4Very high87.3Confident4 Ų428 Ų284%0.04116%0.156CC..  trans-159.7-179.2-178.900000113.7V385 P387 A456V385-G454 PolarHBondContact O-N 3.4Å; V385-G454 VanDerWaalsContact O-N 3.16Å; P387-G454 WeakPolarHBondContact CD-O 3.43Å; G454-A456 VanDerWaalsContact C-N 3.3Å; G454-A456 PolarHBondContact O-N 3.25Å
455G83.4Confident87.4Confident30 Ų3028.1 Ų28.131%0.30916%0.156SC..SBendtrans86-19.2176.800000115.4K701G455-K701 WeakPolarHBondContact O-CE 3.42Å; G455-K701 PolarHBondContact O-NZ 3.36Å
456A82Confident87.6Confident42 Ų4228 Ų2835%0.34716%0.155SC..SBendtrans-154.8169.5170.600000110.3P387 G454P387-A456 HydrophobicContact CG-CB 3.81Å; P387-A456 WeakPolarHBondContact CG-O 3.26Å; G454-A456 VanDerWaalsContact C-N 3.3Å; G454-A456 PolarHBondContact O-N 3.25Å
457P79.9Confident87.8Confident66 Ų6626 Ų2643%0.42915%0.147SC..  trans-64138.1174.8-23.936000113P387P387-P457 VanDerWaalsContact CB-O 3.29Å; P387-P457 WeakPolarHBondContact CB-O 3.46Å; P387-P457 VanDerWaalsContact CG-O 3.3Å; P387-P457 WeakPolarHBondContact CG-O 3.26Å
458L84.1Confident87.8Confident9 Ų922.6 Ų22.65%0.04713%0.134CC..  trans-115.5134.1172-178.569.3000110.2P387 M390 C453 T462 Q463 V474P387-L458 HydrophobicContact CB-CB 4.42Å; P387-L458 HydrophobicContact CB-CD1 4.11Å; P387-L458 HydrophobicContact CG-CB 4.23Å; M390-L458 HydrophobicContact CB-CD1 4.03Å; M390-L458 HydrophobicContact CG-CD1 3.94Å; C453-L458 HydrophobicContact CB-CD2 4.28Å; L458-T462 HydrophobicContact CD1-CG2 3.76Å; L458-Q463 HydrophobicContact CD2-CB 3.72Å; L458-Q463 HydrophobicContact CD2-CG 4.11Å; L458-Q463 HydrophobicContact CG-CB 4.34Å; L458-V474 HydrophobicContact CD2-CG1 4.31Å
459S82.3Confident87.6Confident10 Ų1022.1 Ų22.17%0.0713%0.132CC..  trans-64.6143.4178.583.40000111.4D461 T462 Q463S459-D461 PolarHBondContact O-N 3.07Å; S459-T462 PolarHBondContact O-N 2.97Å; S459-T462 VanDerWaalsContact OG-CB 3.32Å; S459-T462 WeakPolarHBondContact OG-CB 3.46Å; S459-T462 PolarHBondContact OG-N 3.46Å; S459-T462 PolarHBondContact OG-OG1 2.97Å; S459-Q463 PolarHBondContact O-N 2.87Å
460P86Confident87.5Confident60 Ų6018.5 Ų18.539%0.3912%0.118SC..Hα-helixtrans-56.5-36.6175.1-22.130.6000112.5Q463 R464P460-Q463 PolarHBondContact O-N 3.43Å; P460-R464 WeakPolarHBondContact O-CB 3.45Å; P460-R464 PolarHBondContact O-N 2.85Å
461D82.8Confident87.3Confident80 Ų8020 Ų2043%0.42813%0.129SC..Hα-helixtrans-66.1-47178.3-69.9-19.6000112.1S459 Q463 R464 F465 K672S459-D461 PolarHBondContact O-N 3.07Å; D461-Q463 VanDerWaalsContact C-N 3.35Å; D461-R464 PolarHBondContact O-N 3.27Å; D461-F465 WeakPolarHBondContact O-CB 3.26Å; D461-F465 PolarHBondContact O-N 3.34Å; D461-K672 VanDerWaalsContact OD2-CE 3.25Å; D461-K672 WeakPolarHBondContact OD2-CE 3.34Å; D461-K672 IonicContact OD2-NZ 2.71Å; D461-K672 PolarHBondContact OD2-NZ 3.06Å
462T84.5Confident87.1Confident0 Ų020.3 Ų20.30%013%0.13CC..Hα-helixtrans-62.5-46.5176.9-57.20000109M390 D391 Y394 L458 S459 R464 F465 M466M390-T462 HydrophobicContact CG-CG2 3.7Å; D391-T462 WeakPolarHBondContact OD1-CG2 3.37Å; D391-T462 PolarHBondContact OD1-OG1 3.33Å; D391-T462 VanDerWaalsContact OD1-OG1 3.14Å; Y394-T462 HydrophobicContact CD2-CG2 4.24Å; Y394-T462 HydrophobicContact CG-CG2 4.4Å; L458-T462 HydrophobicContact CD1-CG2 3.76Å; S459-T462 PolarHBondContact O-N 2.97Å; S459-T462 VanDerWaalsContact OG-CB 3.32Å; S459-T462 WeakPolarHBondContact OG-CB 3.46Å; S459-T462 PolarHBondContact OG-N 3.46Å; S459-T462 PolarHBondContact OG-OG1 2.97Å; T462-R464 PolarHBondContact O-N 3.25Å; T462-F465 PolarHBondContact O-N 3.15Å; T462-M466 HydrophobicContact CG2-CG 4.11Å; T462-M466 WeakPolarHBondContact O-CB 3.48Å; T462-M466 WeakPolarHBondContact O-CG 3.35Å; T462-M466 PolarHBondContact O-N 3.13Å
463Q90.2Very high86.9Confident7 Ų720.9 Ų20.93%0.03314%0.135CC..Hα-helixtrans-56.3-52.1177.4-170.2-173.2-0.900111.3L458 S459 P460 D461 F465 M466 T467 V474 T497L458-Q463 HydrophobicContact CD2-CB 3.72Å; L458-Q463 HydrophobicContact CD2-CG 4.11Å; L458-Q463 HydrophobicContact CG-CB 4.34Å; S459-Q463 PolarHBondContact O-N 2.87Å; P460-Q463 PolarHBondContact O-N 3.43Å; D461-Q463 VanDerWaalsContact C-N 3.35Å; Q463-F465 PolarHBondContact O-N 2.76Å; Q463-M466 PolarHBondContact O-N 3.13Å; Q463-T467 PolarHBondContact O-N 3.01Å; Q463-T467 PolarHBondContact O-OG1 2.84Å; Q463-T467 VanDerWaalsContact O-OG1 3.08Å; Q463-V474 HydrophobicContact CG-CB 4.1Å; Q463-V474 HydrophobicContact CG-CG1 4.04Å; Q463-V474 PolarHBondContact NE2-O 2.91Å; Q463-T497 HydrophobicContact CB-CG2 4.18Å; Q463-T497 HydrophobicContact CG-CG2 4.09Å; Q463-T497 VanDerWaalsContact OE1-CA 3.24Å
464R89.8Confident86.9Confident34 Ų3421.1 Ų21.113%0.12814%0.136CC..Hα-helixtrans-58.1-48.1178.6-176.563.459.8154.8-6.8111.5E424 P460 D461 T462 M466 T467 I468 L495 T497E424-R464 VanDerWaalsContact CG-NH1 3.26Å; E424-R464 IonicContact OE1-NH1 3.15Å; P460-R464 WeakPolarHBondContact O-CB 3.45Å; P460-R464 PolarHBondContact O-N 2.85Å; D461-R464 PolarHBondContact O-N 3.27Å; T462-R464 PolarHBondContact O-N 3.25Å; R464-M466 VanDerWaalsContact C-N 3.26Å; R464-M466 PolarHBondContact O-N 3.19Å; R464-T467 PolarHBondContact O-N 3.47Å; R464-I468 HydrophobicContact CG-CD1 3.89Å; R464-I468 WeakPolarHBondContact O-CD1 3.07Å; R464-I468 VanDerWaalsContact O-CG1 3.3Å; R464-I468 WeakPolarHBondContact O-CG1 3.14Å; R464-I468 PolarHBondContact O-N 3.31Å; R464-L495 PolarHBondContact NH2-O 3.31Å; R464-T497 HydrophobicContact CB-CG2 4.19Å
465F88.8Confident87Confident5 Ų521 Ų212%0.02214%0.135CC..Hα-helixtrans-59-42-179.1-179.3-89.1000111.4Y394 V397 K398 F412 Y416 D461 T462 Q463 I468 C469Y394-F465 HydrophobicContact CD2-CB 4.07Å; Y394-F465 AromaticContact CD2-CD1 3.28Å; Y394-F465 HydrophobicContact CD2-CD1 3.28Å; Y394-F465 HydrophobicContact CD2-CD2 4.43Å; Y394-F465 AromaticContact CD2-CE1 3.7Å; Y394-F465 HydrophobicContact CD2-CE1 3.7Å; Y394-F465 AromaticContact CD2-CG 3.68Å; Y394-F465 HydrophobicContact CD2-CG 3.68Å; Y394-F465 HydrophobicContact CD2-CZ 4.45Å; Y394-F465 HydrophobicContact CE2-CB 3.78Å; Y394-F465 AromaticContact CE2-CD1 3.58Å; Y394-F465 HydrophobicContact CE2-CD1 3.58Å; Y394-F465 AromaticContact CE2-CD2 3.88Å; Y394-F465 HydrophobicContact CE2-CD2 3.88Å; Y394-F465 HydrophobicContact CE2-CE1 4.06Å; Y394-F465 HydrophobicContact CE2-CE2 4.36Å; Y394-F465 AromaticContact CE2-CG 3.46Å; Y394-F465 HydrophobicContact CE2-CG 3.46Å; Y394-F465 VanDerWaalsContact CE2-CG 3.46Å; Y394-F465 HydrophobicContact CE2-CZ 4.42Å; Y394-F465 HydrophobicContact CG-CD1 4.42Å; V397-F465 HydrophobicContact CB-CE1 4.31Å; V397-F465 HydrophobicContact CG1-CE1 3.97Å; V397-F465 HydrophobicContact CG1-CZ 3.89Å; K398-F465 HydrophobicContact CG-CZ 4.38Å; F412-F465 HydrophobicContact CE1-CE2 4.24Å; F412-F465 HydrophobicContact CZ-CE2 4.06Å; F412-F465 HydrophobicContact CZ-CZ 4.19Å; Y416-F465 HydrophobicContact CD2-CD2 4.2Å; Y416-F465 HydrophobicContact CD2-CE2 4.3Å; Y416-F465 HydrophobicContact CE2-CB 4.35Å; Y416-F465 AromaticContact CE2-CD2 3.35Å; Y416-F465 HydrophobicContact CE2-CD2 3.35Å; Y416-F465 AromaticContact CE2-CE2 3.88Å; Y416-F465 HydrophobicContact CE2-CE2 3.88Å; Y416-F465 HydrophobicContact CE2-CG 4.06Å; Y416-F465 AromaticContact CZ-CD2 3.7Å; Y416-F465 VanDerWaalsContact OH-CA 3.27Å; Y416-F465 WeakPolarHBondContact OH-CA 3.49Å; D461-F465 WeakPolarHBondContact O-CB 3.26Å; D461-F465 PolarHBondContact O-N 3.34Å; T462-F465 PolarHBondContact O-N 3.15Å; Q463-F465 PolarHBondContact O-N 2.76Å; F465-I468 PolarHBondContact O-N 2.78Å; F465-C469 HydrophobicContact CE1-CB 4.36Å; F465-C469 WeakPolarHBondContact CE1-SG 3.4Å; F465-C469 WeakPolarHBondContact CZ-SG 3.42Å; F465-C469 VanDerWaalsContact O-CB 3.27Å; F465-C469 WeakPolarHBondContact O-CB 3.42Å; F465-C469 PolarHBondContact O-N 2.82Å; F465-C469 PolarHBondContact O-SG 3.44Å
466M88.9Confident87.5Confident0 Ų020 Ų200%012%0.122CC..Hα-helixtrans-73.6-41.1-178.3-65.8-59.8-141.400112.4M390 I393 T462 Q463 R464 I468 C469 F470 V474M390-M466 HydrophobicContact CE-CB 4.34Å; M390-M466 HydrophobicContact CE-CG 4.48Å; M390-M466 HydrophobicContact CG-CE 3.87Å; M390-M466 HydrophobicContact CG-CG 3.87Å; M390-M466 WeakPolarHBondContact O-CE 3.39Å; M390-M466 HydrophobicContact SD-CB 3.9Å; M390-M466 HydrophobicContact SD-CE 3.47Å; M390-M466 WeakPolarHBondContact SD-CE 3.5Å; M390-M466 HydrophobicContact SD-CG 3.47Å; M390-M466 WeakPolarHBondContact SD-CG 3.43Å; M390-M466 HydrophobicContact SD-SD 4.08Å; I393-M466 HydrophobicContact CB-CE 3.62Å; I393-M466 HydrophobicContact CG2-CE 3.47Å; I393-M466 VanDerWaalsContact CG2-CE 3.47Å; I393-M466 HydrophobicContact CG2-SD 4.4Å; T462-M466 HydrophobicContact CG2-CG 4.11Å; T462-M466 WeakPolarHBondContact O-CB 3.48Å; T462-M466 WeakPolarHBondContact O-CG 3.35Å; T462-M466 PolarHBondContact O-N 3.13Å; Q463-M466 PolarHBondContact O-N 3.13Å; R464-M466 VanDerWaalsContact C-N 3.26Å; R464-M466 PolarHBondContact O-N 3.19Å; M466-I468 PolarHBondContact O-N 2.85Å; M466-C469 PolarHBondContact O-N 3.42Å; M466-F470 HydrophobicContact CB-CD2 4.15Å; M466-F470 HydrophobicContact CB-CE2 4.42Å; M466-F470 HydrophobicContact CE-CE2 4.15Å; M466-F470 WeakPolarHBondContact O-CB 3.21Å; M466-F470 WeakPolarHBondContact O-CD2 3.46Å; M466-F470 PolarHBondContact O-N 3Å; M466-F470 HydrophobicContact SD-CD2 4.1Å; M466-F470 HydrophobicContact SD-CE2 3.55Å; M466-F470 VanDerWaalsContact SD-CE2 3.55Å; M466-F470 HydrophobicContact SD-CZ 4.43Å; M466-V474 HydrophobicContact CB-CG2 3.95Å
467T90.9Very high88Confident24 Ų2419 Ų1915%0.14712%0.116CC..Hα-helixtrans-55.1-42.1171.5-610000111.3L423 Q463 R464 C471 C472 V474L423-T467 HydrophobicContact CD2-CG2 3.78Å; Q463-T467 PolarHBondContact O-N 3.01Å; Q463-T467 PolarHBondContact O-OG1 2.84Å; Q463-T467 VanDerWaalsContact O-OG1 3.08Å; R464-T467 PolarHBondContact O-N 3.47Å; T467-C471 WeakPolarHBondContact O-CA 3.44Å; T467-C471 PolarHBondContact O-N 3.06Å; T467-C471 VanDerWaalsContact O-N 3.12Å; T467-C472 WeakPolarHBondContact CA-O 3.41Å; T467-C472 PolarHBondContact O-N 3.13Å; T467-V474 WeakPolarHBondContact OG1-CG2 3.25Å
468I89.6Confident88.8Confident0 Ų016.8 Ų16.80%010%0.099CC..Hα-helixtrans-70.5-48.8177.6-67.4165.6000111Y416 K419 R420 L423 F437 R464 F465 M466 C471Y416-I468 HydrophobicContact CD2-CB 4.27Å; Y416-I468 HydrophobicContact CD2-CD1 4.44Å; Y416-I468 HydrophobicContact CD2-CG2 3.54Å; Y416-I468 HydrophobicContact CE1-CD1 4.21Å; Y416-I468 HydrophobicContact CE2-CB 3.87Å; Y416-I468 HydrophobicContact CE2-CD1 3.78Å; Y416-I468 HydrophobicContact CE2-CG1 4.46Å; Y416-I468 HydrophobicContact CE2-CG2 3.67Å; Y416-I468 HydrophobicContact CG-CG2 4.34Å; K419-I468 HydrophobicContact CB-CG2 4.22Å; K419-I468 HydrophobicContact CD-CG2 3.84Å; K419-I468 WeakPolarHBondContact CE-O 3.42Å; K419-I468 HydrophobicContact CG-CG2 4Å; K419-I468 PolarHBondContact NZ-O 3.12Å; R420-I468 HydrophobicContact CB-CD1 3.59Å; R420-I468 HydrophobicContact CG-CD1 3.96Å; L423-I468 HydrophobicContact CD2-CG1 4.14Å; F437-I468 HydrophobicContact CE1-CG2 3.95Å; F437-I468 HydrophobicContact CZ-CG2 3.75Å; R464-I468 HydrophobicContact CG-CD1 3.89Å; R464-I468 WeakPolarHBondContact O-CD1 3.07Å; R464-I468 VanDerWaalsContact O-CG1 3.3Å; R464-I468 WeakPolarHBondContact O-CG1 3.14Å; R464-I468 PolarHBondContact O-N 3.31Å; F465-I468 PolarHBondContact O-N 2.78Å; M466-I468 PolarHBondContact O-N 2.85Å; I468-C471 PolarHBondContact O-N 2.89Å
469C87.7Confident89.3Confident0 Ų017.6 Ų17.60%011%0.11CC..Hα-helixtrans-67-43.1-174.8-75.40000112.8I440 F465 M466 C471I440-C469 HydrophobicContact CG2-CB 3.85Å; F465-C469 HydrophobicContact CE1-CB 4.36Å; F465-C469 WeakPolarHBondContact CE1-SG 3.4Å; F465-C469 WeakPolarHBondContact CZ-SG 3.42Å; F465-C469 VanDerWaalsContact O-CB 3.27Å; F465-C469 WeakPolarHBondContact O-CB 3.42Å; F465-C469 PolarHBondContact O-N 2.82Å; F465-C469 PolarHBondContact O-SG 3.44Å; M466-C469 PolarHBondContact O-N 3.42Å; C469-C471 VanDerWaalsContact C-N 3.33Å
470F87.1Confident89.9Confident1 Ų118.2 Ų18.20%0.00411%0.112CC..Hα-helixtrans-83.3-10.7179.1-68.2-57.8000113.9I393 R441 L444 L448 M466 C472I393-F470 HydrophobicContact CG2-CE2 4.02Å; I393-F470 HydrophobicContact CG2-CZ 3.59Å; R441-F470 WeakPolarHBondContact CD-O 3.33Å; R441-F470 HydrophobicContact CG-CD1 4.47Å; R441-F470 WeakPolarHBondContact CG-O 3.49Å; L444-F470 HydrophobicContact CB-CE1 4.12Å; L444-F470 HydrophobicContact CD1-CD1 4.38Å; L444-F470 HydrophobicContact CD1-CD2 4.49Å; L444-F470 HydrophobicContact CD1-CE1 3.73Å; L444-F470 HydrophobicContact CD1-CE2 3.81Å; L444-F470 HydrophobicContact CD1-CZ 3.41Å; L444-F470 VanDerWaalsContact CD1-CZ 3.41Å; L444-F470 HydrophobicContact CG-CE1 3.87Å; L444-F470 HydrophobicContact CG-CZ 3.82Å; L448-F470 HydrophobicContact CD2-CB 4.14Å; L448-F470 HydrophobicContact CD2-CD1 4.17Å; L448-F470 HydrophobicContact CD2-CG 4.09Å; M466-F470 HydrophobicContact CB-CD2 4.15Å; M466-F470 HydrophobicContact CB-CE2 4.42Å; M466-F470 HydrophobicContact CE-CE2 4.15Å; M466-F470 WeakPolarHBondContact O-CB 3.21Å; M466-F470 WeakPolarHBondContact O-CD2 3.46Å; M466-F470 PolarHBondContact O-N 3Å; M466-F470 HydrophobicContact SD-CD2 4.1Å; M466-F470 HydrophobicContact SD-CE2 3.55Å; M466-F470 VanDerWaalsContact SD-CE2 3.55Å; M466-F470 HydrophobicContact SD-CZ 4.43Å; F470-C472 VanDerWaalsContact CB-SG 3.56Å; F470-C472 PolarHBondContact O-N 3.48Å
471C87.3Confident90.4Very high33 Ų3316.4 Ų16.422%0.22310%0.1CC..SBendtrans60.823.6-178.7-42.30000113.6K419 N433 F437 T467 I468 C469K419-C471 PolarHBondContact NZ-SG 2.78Å; N433-C471 HydrophobicContact CB-CB 4.26Å; N433-C471 VanDerWaalsContact CG-SG 3.57Å; N433-C471 PolarHBondContact OD1-SG 3.47Å; N433-C471 VanDerWaalsContact OD1-SG 3.37Å; F437-C471 WeakPolarHBondContact CB-SG 3.49Å; T467-C471 WeakPolarHBondContact O-CA 3.44Å; T467-C471 PolarHBondContact O-N 3.06Å; T467-C471 VanDerWaalsContact O-N 3.12Å; I468-C471 PolarHBondContact O-N 2.89Å; C469-C471 VanDerWaalsContact C-N 3.33Å
472C88Confident91Very high6 Ų613.5 Ų13.54%0.0418%0.084CC..SBendtrans-138.1156.1-179.665.80000110.4R449 T467 F470R449-C472 WeakPolarHBondContact O-CB 3.47Å; T467-C472 WeakPolarHBondContact CA-O 3.41Å; T467-C472 PolarHBondContact O-N 3.13Å; F470-C472 VanDerWaalsContact CB-SG 3.56Å; F470-C472 PolarHBondContact O-N 3.48Å
473P89.3Confident91.7Very high27 Ų2713.5 Ų13.518%0.1758%0.084CC..  trans-58.7138.6174.2-23.836.1000112.1R449 L450 V451 S492R449-P473 WeakPolarHBondContact O-CD 3.5Å; L450-P473 HydrophobicContact CD1-CB 4.47Å; V451-P473 PolarHBondContact N-O 3.29Å; P473-S492 VanDerWaalsContact CG-O 3.29Å; P473-S492 WeakPolarHBondContact CG-O 3.29Å
474V92Very high92Very high5 Ų513.2 Ų13.23%0.038%0.082CC..EExtended strand (participates in β ladder)trans-108.795.2166.7-179.10000107.2M390 V451 C453 L458 Q463 M466 T467M390-V474 HydrophobicContact CE-CG1 3.77Å; M390-V474 HydrophobicContact CE-CG2 4.4Å; V451-V474 HydrophobicContact CB-CG2 4.16Å; V451-V474 HydrophobicContact CG1-CG1 4.4Å; V451-V474 CarbonylContact O-C 3.58Å; V451-V474 WeakPolarHBondContact O-CA 3.48Å; C453-V474 HydrophobicContact CB-CG1 4.19Å; L458-V474 HydrophobicContact CD2-CG1 4.31Å; Q463-V474 HydrophobicContact CG-CB 4.1Å; Q463-V474 HydrophobicContact CG-CG1 4.04Å; Q463-V474 PolarHBondContact NE2-O 2.91Å; M466-V474 HydrophobicContact CB-CG2 3.95Å; T467-V474 WeakPolarHBondContact OG1-CG2 3.25Å
475S92.5Very high92.2Very high1 Ų112.1 Ų12.11%0.0078%0.082CC..EExtended strand (participates in β ladder)trans-79.7126.2179.9-72.90000110.1V451 C453 S490V451-S475 PolarHBondContact O-N 3.25Å; C453-S475 PolarHBondContact N-O 2.79Å; S475-S490 VanDerWaalsContact CA-OG 3.26Å; S475-S490 WeakPolarHBondContact CA-OG 3.13Å; S475-S490 VanDerWaalsContact CB-O 3.22Å; S475-S490 WeakPolarHBondContact CB-O 3.3Å; S475-S490 PolarHBondContact OG-O 2.93Å
476Q93.1Very high92.4Very high10 Ų1012 Ų125%0.0478%0.082CC..EExtended strand (participates in β ladder)trans-92.9132171.8-71.4-152.856.700110.7C453 S490 R499 V500C453-Q476 WeakPolarHBondContact O-CA 3.46Å; Q476-S490 PolarHBondContact N-OG 3.4Å; Q476-S490 PolarHBondContact O-N 3.45Å; Q476-S490 PolarHBondContact O-OG 2.8Å; Q476-R499 WeakPolarHBondContact CB-O 3.22Å; Q476-V500 HydrophobicContact CB-CG1 4.35Å
477G94Very high92.8Very high20 Ų2012 Ų1221%0.2068%0.082CC..EExtended strand (participates in β ladder)trans-119.5146.3172.500000111.6C453 T488C453-G477 PolarHBondContact O-N 2.94Å; G477-T488 WeakPolarHBondContact CA-O 3.47Å
478Y95.9Very high93.1Very high21 Ų2111 Ų118%0.0828%0.076CC..EExtended strand (participates in β ladder)trans-119.9135.3170.9163.3-101.1000109.5L480 G487 T488 I531 I533 T564 D566 L576 I578Y478-L480 HydrophobicContact CE1-CD1 4.31Å; Y478-L480 HydrophobicContact CE2-CD1 4.11Å; Y478-G487 CarbonylContact O-C 3.56Å; Y478-G487 WeakPolarHBondContact O-CA 3.38Å; Y478-G487 PolarHBondContact O-N 2.63Å; Y478-T488 PolarHBondContact N-O 3.45Å; Y478-T488 PolarHBondContact O-N 2.78Å; Y478-I531 HydrophobicContact CE1-CD1 4.25Å; Y478-I531 HydrophobicContact CE1-CG2 4.18Å; Y478-I533 HydrophobicContact CE1-CD1 3.97Å; Y478-T564 VanDerWaalsContact OH-CB 3.31Å; Y478-T564 WeakPolarHBondContact OH-CB 3.46Å; Y478-T564 WeakPolarHBondContact OH-CG2 3.5Å; Y478-T564 PolarHBondContact OH-OG1 3.5Å; Y478-T564 VanDerWaalsContact OH-OG1 3.07Å; Y478-D566 HydrophobicContact CE2-CB 4.48Å; Y478-D566 WeakPolarHBondContact CE2-OD2 3.5Å; Y478-D566 PolarHBondContact OH-OD2 3.04Å; Y478-L576 HydrophobicContact CD1-CD2 4.37Å; Y478-I578 HydrophobicContact CD1-CD1 3.98Å; Y478-I578 HydrophobicContact CD2-CD1 3.64Å; Y478-I578 HydrophobicContact CD2-CG1 3.85Å; Y478-I578 HydrophobicContact CE1-CD1 4.12Å; Y478-I578 HydrophobicContact CE2-CD1 3.81Å; Y478-I578 HydrophobicContact CE2-CG1 4.33Å; Y478-I578 HydrophobicContact CG-CD1 3.72Å; Y478-I578 HydrophobicContact CG-CG1 4.13Å
479G95Very high93.3Very high26 Ų2611.1 Ų11.127%0.2688%0.076SC..  trans-176.6162.7179.500000110.6
480L95.1Very high93.6Very high22 Ų2211.5 Ų11.512%0.1158%0.079CC..  trans-127.2168.4-179.9-5995.6000108.7Y478 E482 T483 S484 G485 F562 T564Y478-L480 HydrophobicContact CE1-CD1 4.31Å; Y478-L480 HydrophobicContact CE2-CD1 4.11Å; L480-E482 PolarHBondContact O-N 3.11Å; L480-T483 PolarHBondContact N-OG1 3.24Å; L480-T483 CarbonylContact O-C 3.45Å; L480-T483 PolarHBondContact O-N 3.33Å; L480-T483 VanDerWaalsContact O-N 3.09Å; L480-T483 PolarHBondContact O-OG1 3.28Å; L480-S484 PolarHBondContact O-N 3.22Å; L480-G485 PolarHBondContact O-N 3.31Å; L480-F562 HydrophobicContact CB-CE1 4.47Å; L480-F562 HydrophobicContact CD1-CE1 4.23Å; L480-F562 HydrophobicContact CD2-CE1 4.19Å; L480-T564 HydrophobicContact CD1-CG2 3.96Å
481T95.3Very high93.7Very high23 Ų2311.8 Ų11.814%0.1418%0.083CC..G310 helixtrans-59-40.8172.4-54.50000110.4M283 T285 V295 L297 T483 S484M283-T481 HydrophobicContact CB-CG2 3.6Å; M283-T481 HydrophobicContact CG-CG2 4.41Å; M283-T481 HydrophobicContact SD-CG2 4.09Å; T285-T481 HydrophobicContact CG2-CG2 3.82Å; T285-T481 WeakPolarHBondContact CG2-OG1 3.45Å; V295-T481 HydrophobicContact CB-CG2 3.75Å; V295-T481 HydrophobicContact CG1-CG2 4.09Å; V295-T481 HydrophobicContact CG2-CG2 3.75Å; L297-T481 HydrophobicContact CD1-CG2 4.41Å; L297-T481 VanDerWaalsContact CD2-O 3.32Å; L297-T481 WeakPolarHBondContact CD2-O 3.32Å; T481-T483 PolarHBondContact O-N 3.03Å; T481-T483 VanDerWaalsContact O-N 3.15Å; T481-S484 PolarHBondContact O-N 3.34Å
482E96.9Very high93.6Very high19 Ų1910.4 Ų10.49%0.0897%0.073CC..G310 helixtrans-63.2-17.2176.8-65.689163.900114.3V295 L480 S539 Y542 F553 F562V295-E482 HydrophobicContact CG1-CG 4.22Å; V295-E482 HydrophobicContact CG2-CG 4.18Å; L480-E482 PolarHBondContact O-N 3.11Å; E482-S539 WeakPolarHBondContact O-CB 3.45Å; E482-S539 PolarHBondContact O-N 3.29Å; E482-S539 PolarHBondContact O-OG 2.67Å; E482-Y542 HydrophobicContact CG-CE1 4Å; E482-Y542 WeakPolarHBondContact OE1-CE1 3.46Å; E482-Y542 PolarHBondContact OE1-OH 3.36Å; E482-F553 HydrophobicContact CB-CZ 4.09Å; E482-F553 HydrophobicContact CG-CZ 4.04Å; E482-F562 HydrophobicContact CB-CD1 3.97Å; E482-F562 HydrophobicContact CB-CD2 4.04Å; E482-F562 HydrophobicContact CB-CE1 3.54Å; E482-F562 HydrophobicContact CB-CE2 3.63Å; E482-F562 HydrophobicContact CB-CG 4.2Å; E482-F562 HydrophobicContact CB-CZ 3.37Å; E482-F562 HydrophobicContact CG-CD2 4.39Å; E482-F562 HydrophobicContact CG-CE1 4.23Å; E482-F562 HydrophobicContact CG-CE2 3.63Å; E482-F562 HydrophobicContact CG-CZ 3.54Å
483T97.4Very high93.4Very high0 Ų010.5 Ų10.50%07%0.073CC..G310 helixtrans-110.820.117462.40000112.9L480 T481 G485 G486 I533 N537 F562L480-T483 PolarHBondContact N-OG1 3.24Å; L480-T483 CarbonylContact O-C 3.45Å; L480-T483 PolarHBondContact O-N 3.33Å; L480-T483 VanDerWaalsContact O-N 3.09Å; L480-T483 PolarHBondContact O-OG1 3.28Å; T481-T483 PolarHBondContact O-N 3.03Å; T481-T483 VanDerWaalsContact O-N 3.15Å; T483-G485 VanDerWaalsContact C-N 3.26Å; T483-G485 PolarHBondContact O-N 3.34Å; T483-G486 PolarHBondContact O-N 2.88Å; T483-G486 VanDerWaalsContact O-O 3.07Å; T483-I533 HydrophobicContact CG2-CB 4.22Å; T483-I533 HydrophobicContact CG2-CD1 4Å; T483-I533 HydrophobicContact CG2-CG2 4.19Å; T483-N537 CarbonylContact C-O 3.23Å; T483-N537 WeakPolarHBondContact CA-O 3.2Å; T483-N537 PolarHBondContact O-ND2 3.44Å; T483-F562 HydrophobicContact CG2-CD1 3.75Å; T483-F562 HydrophobicContact CG2-CE1 4.29Å
484S97.1Very high93.4Very high0 Ų010.2 Ų10.20%07%0.07CC..THydrogen-bonded Turntrans52.645.3-179.1-51.60000111.9N301 A305 V336 L480 T481 G486 N537N301-S484 WeakPolarHBondContact CB-OG 3.47Å; A305-S484 WeakPolarHBondContact CB-O 3.38Å; V336-S484 VanDerWaalsContact CG2-C 3.45Å; L480-S484 PolarHBondContact O-N 3.22Å; T481-S484 PolarHBondContact O-N 3.34Å; S484-G486 PolarHBondContact O-N 3.42Å; S484-N537 WeakPolarHBondContact CB-O 3.27Å; S484-N537 PolarHBondContact N-O 2.73Å; S484-N537 PolarHBondContact OG-O 3.44Å
485G94Very high93.3Very high12 Ų1211.1 Ų11.112%0.1248%0.075CC..THydrogen-bonded Turntrans75.4-14.8176.300000116.2V336 D340 L480 T483V336-G485 VanDerWaalsContact CG1-CA 3.5Å; D340-G485 WeakPolarHBondContact OD2-CA 3.13Å; L480-G485 PolarHBondContact O-N 3.31Å; T483-G485 VanDerWaalsContact C-N 3.26Å; T483-G485 PolarHBondContact O-N 3.34Å
486G93.2Very high93.2Very high2 Ų212.5 Ų12.52%0.0219%0.085CC..  trans-123.4120.3-174.800000114.1T483 S484 L504 N537T483-G486 PolarHBondContact O-N 2.88Å; T483-G486 VanDerWaalsContact O-O 3.07Å; S484-G486 PolarHBondContact O-N 3.42Å; G486-L504 VanDerWaalsContact C-CD1 3.49Å; G486-N537 PolarHBondContact O-ND2 3.19Å
487G96.6Very high93.1Very high0 Ų014 Ų140%09%0.094CC..SBendtrans-122.1-53.1169.300000111Y478 L504 N507Y478-G487 CarbonylContact O-C 3.56Å; Y478-G487 WeakPolarHBondContact O-CA 3.38Å; Y478-G487 PolarHBondContact O-N 2.63Å; G487-L504 PolarHBondContact O-N 2.68Å; G487-L504 VanDerWaalsContact O-N 3.11Å; G487-N507 WeakPolarHBondContact CA-ND2 3.44Å; G487-N507 PolarHBondContact O-ND2 2.85Å; G487-N507 PolarHBondContact O-OD1 3.36Å
488T97.2Very high92.7Very high3 Ų314 Ų142%0.01810%0.095CC..EExtended strand (participates in β ladder)trans-137.9157.4175.367.80000110.6G477 Y478 V500 P502 I509 L576G477-T488 WeakPolarHBondContact CA-O 3.47Å; Y478-T488 PolarHBondContact N-O 3.45Å; Y478-T488 PolarHBondContact O-N 2.78Å; T488-V500 CarbonylContact C-O 3.52Å; T488-V500 VanDerWaalsContact CB-O 3.28Å; T488-V500 WeakPolarHBondContact CB-O 3.36Å; T488-V500 WeakPolarHBondContact OG1-CB 3.38Å; T488-V500 WeakPolarHBondContact OG1-CG2 3.46Å; T488-V500 PolarHBondContact OG1-O 3.46Å; T488-P502 WeakPolarHBondContact CA-O 3.43Å; T488-P502 WeakPolarHBondContact CB-O 3.35Å; T488-I509 HydrophobicContact CG2-CD1 3.32Å; T488-L576 HydrophobicContact CG2-CB 4.12Å; T488-L576 HydrophobicContact CG2-CD2 3.9Å
489L95.5Very high92.6Very high2 Ų214.5 Ų14.51%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-150131.8173.9-176.458.8000111.7Q309 I312 L313 L452 V500 P502 L504Q309-L489 HydrophobicContact CB-CD2 3.87Å; Q309-L489 HydrophobicContact CG-CD2 4.11Å; I312-L489 HydrophobicContact CB-CD2 4.16Å; I312-L489 HydrophobicContact CB-CG 4.48Å; I312-L489 HydrophobicContact CD1-CB 3.99Å; I312-L489 HydrophobicContact CG2-CB 4.2Å; I312-L489 HydrophobicContact CG2-CD2 4.07Å; I312-L489 HydrophobicContact CG2-CG 3.92Å; L313-L489 HydrophobicContact CD1-CD2 4.26Å; L313-L489 HydrophobicContact CD2-CD2 3.77Å; L313-L489 HydrophobicContact CD2-CG 4.36Å; L313-L489 HydrophobicContact CG-CD2 3.73Å; L452-L489 HydrophobicContact CD1-CD1 3.63Å; L452-L489 HydrophobicContact CD1-CD2 4.3Å; L489-V500 CarbonylContact C-O 3.45Å; L489-V500 WeakPolarHBondContact CA-O 3.21Å; L489-V500 PolarHBondContact N-O 3.05Å; L489-P502 PolarHBondContact N-O 3.2Å; L489-P502 WeakPolarHBondContact O-CD 3.34Å; L489-L504 HydrophobicContact CB-CD2 3.79Å
490S93.1Very high92.6Very high8 Ų813.8 Ų13.86%0.0569%0.087CC..  trans-78127.8172.668.10000111.3S475 Q476 V500S475-S490 VanDerWaalsContact CA-OG 3.26Å; S475-S490 WeakPolarHBondContact CA-OG 3.13Å; S475-S490 VanDerWaalsContact CB-O 3.22Å; S475-S490 WeakPolarHBondContact CB-O 3.3Å; S475-S490 PolarHBondContact OG-O 2.93Å; Q476-S490 PolarHBondContact N-OG 3.4Å; Q476-S490 PolarHBondContact O-N 3.45Å; Q476-S490 PolarHBondContact O-OG 2.8Å; S490-V500 PolarHBondContact N-O 3.31Å
491G89.1Confident92.6Very high8 Ų812.8 Ų12.88%0.0828%0.082CC..  trans-61.9161.7173.900000113.1D493 D494G491-D493 PolarHBondContact O-N 3.47Å; G491-D494 WeakPolarHBondContact O-CB 3.48Å; G491-D494 PolarHBondContact O-N 3.25Å; G491-D494 VanDerWaalsContact O-N 3.14Å
492S85.5Confident92.7Very high3 Ų312.1 Ų12.12%0.0218%0.078CC..THydrogen-bonded Turntrans-71.7-15.6-177.990.10000113D315 H317 P473D315-S492 PolarHBondContact OD1-OG 3.05Å; D315-S492 WeakPolarHBondContact OD2-CB 3.29Å; D315-S492 PolarHBondContact OD2-OG 3.38Å; H317-S492 WeakPolarHBondContact CB-OG 3.34Å; P473-S492 VanDerWaalsContact CG-O 3.29Å; P473-S492 WeakPolarHBondContact CG-O 3.29Å
493D84.3Confident92.7Very high9 Ų911.2 Ų11.25%0.0487%0.074CC..THydrogen-bonded Turntrans-87.1-8.8173.259.9-7000114.3S47 R49 G491 L495S47-D493 VanDerWaalsContact CB-O 3.32Å; S47-D493 WeakPolarHBondContact CB-O 3.3Å; R49-D493 IonicContact CZ-OD2 3.91Å; R49-D493 VanDerWaalsContact CZ-OD2 3.24Å; R49-D493 IonicContact NH1-OD1 3.5Å; R49-D493 IonicContact NH1-OD2 3.05Å; R49-D493 PolarHBondContact NH1-OD2 3.09Å; R49-D493 IonicContact NH2-OD1 2.7Å; R49-D493 IonicContact NH2-OD2 3.77Å; R49-D493 PolarHBondContact NH2-OD2 2.94Å; G491-D493 PolarHBondContact O-N 3.47Å; D493-L495 PolarHBondContact O-N 3.08Å
494D88.8Confident92.7Very high20 Ų2011.2 Ų11.211%0.1077%0.074CC..  trans-75.7112.9178.8-160.7-30.4000110.8K51 G491 S496 R499K51-D494 WeakPolarHBondContact CE-OD2 3.28Å; K51-D494 IonicContact NZ-OD1 3.15Å; K51-D494 IonicContact NZ-OD2 2.68Å; K51-D494 PolarHBondContact NZ-OD2 3.05Å; G491-D494 WeakPolarHBondContact O-CB 3.48Å; G491-D494 PolarHBondContact O-N 3.25Å; G491-D494 VanDerWaalsContact O-N 3.14Å; D494-S496 VanDerWaalsContact C-N 3.34Å; D494-S496 WeakPolarHBondContact OD1-CB 3.44Å; D494-S496 PolarHBondContact OD1-N 3.36Å; D494-S496 PolarHBondContact OD1-OG 3.4Å; D494-R499 IonicContact OD1-NH2 3.41Å; D494-R499 IonicContact OD2-NH2 2.66Å
495L89.4Confident92.6Very high24 Ų2411.4 Ų11.413%0.1268%0.075CC..  trans-87.1-4.3179.3-58.9176.1000112.9V44 S47 L423 R464 D493V44-L495 HydrophobicContact CG2-CD1 4.24Å; S47-L495 PolarHBondContact OG-N 3.24Å; L423-L495 HydrophobicContact CD1-CD2 3.98Å; L423-L495 HydrophobicContact CG-CD2 4.34Å; R464-L495 PolarHBondContact NH2-O 3.31Å; D493-L495 PolarHBondContact O-N 3.08Å
496S90.3Very high92.7Very high31 Ų3110.8 Ų10.822%0.2177%0.069CC..  trans-75.3163.117874.80000112D494 R499D494-S496 VanDerWaalsContact C-N 3.34Å; D494-S496 WeakPolarHBondContact OD1-CB 3.44Å; D494-S496 PolarHBondContact OD1-N 3.36Å; D494-S496 PolarHBondContact OD1-OG 3.4Å; S496-R499 VanDerWaalsContact OG-CZ 3.28Å; S496-R499 PolarHBondContact OG-NE 2.83Å; S496-R499 PolarHBondContact OG-NH2 2.91Å
497T91Very high92.9Very high41 Ų4110.7 Ų10.725%0.2527%0.068SC..  trans-136.7151.1178.549.20000110.3Q463 R464Q463-T497 HydrophobicContact CB-CG2 4.18Å; Q463-T497 HydrophobicContact CG-CG2 4.09Å; Q463-T497 VanDerWaalsContact OE1-CA 3.24Å; R464-T497 HydrophobicContact CB-CG2 4.19Å
498G87.2Confident93Very high21 Ų2110.7 Ų10.722%0.2167%0.068CC..SBendtrans80.318-178.900000115K577G498-K577 WeakPolarHBondContact O-CG 3.45Å
499R93.5Very high93Very high31 Ų3110.6 Ų10.612%0.1177%0.067CC..  trans-133.7158.6177-51.8-174.1-60.6156.45.9108.7Q476 D494 S496 D573 K577Q476-R499 WeakPolarHBondContact CB-O 3.22Å; D494-R499 IonicContact OD1-NH2 3.41Å; D494-R499 IonicContact OD2-NH2 2.66Å; S496-R499 VanDerWaalsContact OG-CZ 3.28Å; S496-R499 PolarHBondContact OG-NE 2.83Å; S496-R499 PolarHBondContact OG-NH2 2.91Å; R499-D573 IonicContact CZ-OD1 2.76Å; R499-D573 IonicContact CZ-OD2 3.91Å; R499-D573 IonicContact NH1-OD1 3.72Å; R499-D573 PolarHBondContact NH1-OD1 3.03Å; R499-D573 IonicContact NH1-OD2 3.73Å; R499-D573 PolarHBondContact NH1-OD2 2.74Å; R499-D573 IonicContact NH2-OD2 2.74Å; R499-D573 PolarHBondContact NH2-OD2 2.94Å; R499-K577 HydrophobicContact CG-CB 4.24Å
500V94.9Very high93.1Very high11 Ų1111.4 Ų11.47%0.0677%0.071CC..  trans-111.713.4-173.5-65.30000113.3Q476 T488 L489 S490 L576 I578Q476-V500 HydrophobicContact CB-CG1 4.35Å; T488-V500 CarbonylContact C-O 3.52Å; T488-V500 VanDerWaalsContact CB-O 3.28Å; T488-V500 WeakPolarHBondContact CB-O 3.36Å; T488-V500 WeakPolarHBondContact OG1-CB 3.38Å; T488-V500 WeakPolarHBondContact OG1-CG2 3.46Å; T488-V500 PolarHBondContact OG1-O 3.46Å; L489-V500 CarbonylContact C-O 3.45Å; L489-V500 WeakPolarHBondContact CA-O 3.21Å; L489-V500 PolarHBondContact N-O 3.05Å; S490-V500 PolarHBondContact N-O 3.31Å; V500-L576 HydrophobicContact CG2-CB 4.03Å; V500-L576 HydrophobicContact CG2-CD2 4.39Å; V500-L576 HydrophobicContact CG2-CG 4.27Å; V500-L576 WeakPolarHBondContact CG2-O 3.46Å; V500-L576 PolarHBondContact N-O 2.73Å; V500-I578 HydrophobicContact CG1-CG1 4.07Å; V500-I578 HydrophobicContact CG2-CD1 4.02Å; V500-I578 HydrophobicContact CG2-CG1 3.91Å
501G95.1Very high93.2Very high0 Ų011.5 Ų11.50%07%0.071CC..BIsolated β-bridgetrans81.1-177.8176.600000114.8L576G501-L576 PolarHBondContact O-N 3.35Å
502P95.9Very high93.6Very high10 Ų1015.5 Ų15.57%0.0658%0.083CC..SBendtrans-73.9165.7176.733.5-39.9000112.8K51 A52 T488 L489K51-P502 HydrophobicContact CB-CB 3.81Å; K51-P502 HydrophobicContact CB-CG 3.81Å; K51-P502 HydrophobicContact CD-CG 4.37Å; A52-P502 HydrophobicContact CB-CB 3.87Å; T488-P502 WeakPolarHBondContact CA-O 3.43Å; T488-P502 WeakPolarHBondContact CB-O 3.35Å; L489-P502 PolarHBondContact N-O 3.2Å; L489-P502 WeakPolarHBondContact O-CD 3.34Å
503P97.4Very high94Very high0 Ų018.7 Ų18.70%010%0.1CC..BIsolated β-bridgetrans-45.6144163.3-27.735.1000112.9A52 N507 I509A52-P503 HydrophobicContact CB-CG 4.33Å; P503-N507 WeakPolarHBondContact CB-OD1 3.23Å; P503-I509 HydrophobicContact CB-CD1 4.22Å; P503-I509 HydrophobicContact CB-CG1 4.12Å; P503-I509 HydrophobicContact CG-CB 4.17Å; P503-I509 HydrophobicContact CG-CD1 4.07Å; P503-I509 HydrophobicContact CG-CG1 4.01Å
504L96.7Very high94.4Very high0 Ų019.9 Ų19.90%010%0.104CC..  trans-67.2158.4172-67.7-174.8000110.7Q309 I312 G486 G487 L489 C506 N507Q309-L504 HydrophobicContact CG-CD1 3.89Å; Q309-L504 HydrophobicContact CG-CD2 4.14Å; I312-L504 HydrophobicContact CD1-CD2 3.49Å; I312-L504 VanDerWaalsContact CD1-CD2 3.49Å; G486-L504 VanDerWaalsContact C-CD1 3.49Å; G487-L504 PolarHBondContact O-N 2.68Å; G487-L504 VanDerWaalsContact O-N 3.11Å; L489-L504 HydrophobicContact CB-CD2 3.79Å; L504-C506 PolarHBondContact O-N 3.33Å; L504-C506 VanDerWaalsContact O-N 3.14Å; L504-N507 PolarHBondContact N-OD1 3.21Å; L504-N507 VanDerWaalsContact N-OD1 3.1Å; L504-N507 PolarHBondContact O-N 3.47Å; L504-N507 VanDerWaalsContact O-N 3.17Å; L504-N507 PolarHBondContact O-OD1 3.4Å
505S95.2Very high94.3Very high3 Ų326.8 Ų26.82%0.02114%0.136CC..THydrogen-bonded Turntrans-64.1-20.8-17952.20000113.8S69 L73 S74 S308 E311S69-S505 VanDerWaalsContact OG-CA 3.28Å; S69-S505 WeakPolarHBondContact OG-CA 3.49Å; S69-S505 PolarHBondContact OG-O 3.04Å; S69-S505 VanDerWaalsContact OG-O 3.13Å; L73-S505 WeakPolarHBondContact CA-O 3.49Å; L73-S505 WeakPolarHBondContact CD2-O 3.1Å; S74-S505 PolarHBondContact N-O 2.89Å; S308-S505 VanDerWaalsContact CB-OG 3.32Å; S308-S505 WeakPolarHBondContact CB-OG 3.18Å; S308-S505 PolarHBondContact OG-OG 3.01Å; S308-S505 VanDerWaalsContact OG-OG 3.1Å; E311-S505 VanDerWaalsContact OE2-CB 3.31Å; E311-S505 WeakPolarHBondContact OE2-CB 3.32Å; E311-S505 PolarHBondContact OE2-OG 3.45Å
506C96.5Very high93.9Very high0 Ų032.2 Ų32.20%016%0.161CC..THydrogen-bonded Turntrans-88.5-3.4177.468.60000116.2S74 A304 S308 L504 G535 A536S74-C506 WeakPolarHBondContact O-CA 3.08Å; S74-C506 WeakPolarHBondContact O-CB 3.36Å; A304-C506 HydrophobicContact CB-CB 3.92Å; S308-C506 WeakPolarHBondContact OG-CB 3.21Å; S308-C506 PolarHBondContact OG-N 3.47Å; S308-C506 PolarHBondContact OG-SG 2.73Å; L504-C506 PolarHBondContact O-N 3.33Å; L504-C506 VanDerWaalsContact O-N 3.14Å; C506-G535 VanDerWaalsContact O-CA 3.27Å; C506-G535 WeakPolarHBondContact O-CA 3.33Å; C506-A536 PolarHBondContact O-N 3.39Å
507N97.8Very high93.3Very high0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-139.4162.7-174.771.129000114.4L73 G487 P503 L504 I533 S534 N537L73-N507 WeakPolarHBondContact CD2-O 3.41Å; G487-N507 WeakPolarHBondContact CA-ND2 3.44Å; G487-N507 PolarHBondContact O-ND2 2.85Å; G487-N507 PolarHBondContact O-OD1 3.36Å; P503-N507 WeakPolarHBondContact CB-OD1 3.23Å; L504-N507 PolarHBondContact N-OD1 3.21Å; L504-N507 VanDerWaalsContact N-OD1 3.1Å; L504-N507 PolarHBondContact O-N 3.47Å; L504-N507 VanDerWaalsContact O-N 3.17Å; L504-N507 PolarHBondContact O-OD1 3.4Å; N507-I533 HydrophobicContact CB-CG2 4.09Å; N507-S534 WeakPolarHBondContact CA-O 3.46Å; N507-N537 WeakPolarHBondContact CB-OD1 3.34Å; N507-N537 PolarHBondContact ND2-ND2 2.72Å
508D97.8Very high92.9Very high0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-116.7152.5164.5-62.4-49.6000109.8P63 Y64 R65 S534 R559 W561P63-D508 HydrophobicContact CB-CB 3.89Å; Y64-D508 WeakPolarHBondContact O-CA 3.31Å; R65-D508 WeakPolarHBondContact CB-OD1 3.47Å; R65-D508 VanDerWaalsContact CG-OD1 3.23Å; R65-D508 WeakPolarHBondContact CG-OD1 3.42Å; R65-D508 IonicContact CZ-OD1 3.74Å; R65-D508 IonicContact CZ-OD2 3.83Å; R65-D508 IonicContact NE-OD1 3.41Å; R65-D508 PolarHBondContact NE-OD1 3.17Å; R65-D508 IonicContact NE-OD2 2.7Å; R65-D508 PolarHBondContact NE-OD2 3.36Å; R65-D508 IonicContact NH2-OD1 3.97Å; R65-D508 IonicContact NH2-OD2 2.69Å; R65-D508 PolarHBondContact NH2-OD2 3.47Å; D508-S534 PolarHBondContact N-O 2.83Å; D508-S534 PolarHBondContact O-N 2.9Å; D508-R559 IonicContact OD2-CZ 3.6Å; D508-R559 IonicContact OD2-NH1 2.73Å; D508-R559 PolarHBondContact OD2-NH1 3.21Å; D508-R559 IonicContact OD2-NH2 3.66Å; D508-R559 PolarHBondContact OD2-NH2 3.44Å; D508-W561 HydrophobicContact CB-CH2 4Å
509I98.1Very high93.1Very high0 Ų035.6 Ų35.60%017%0.168CC..EExtended strand (participates in β ladder)trans-128.9130.4178.6-57.7-172.2000109.2P63 Y64 T488 P503 I531 L532 I533 F570 L576P63-I509 CarbonylContact C-O 3.5Å; P63-I509 WeakPolarHBondContact CA-O 3.3Å; Y64-I509 PolarHBondContact N-O 3.33Å; Y64-I509 PolarHBondContact O-N 3Å; T488-I509 HydrophobicContact CG2-CD1 3.32Å; P503-I509 HydrophobicContact CB-CD1 4.22Å; P503-I509 HydrophobicContact CB-CG1 4.12Å; P503-I509 HydrophobicContact CG-CB 4.17Å; P503-I509 HydrophobicContact CG-CD1 4.07Å; P503-I509 HydrophobicContact CG-CG1 4.01Å; I509-I531 HydrophobicContact CG2-CG2 3.69Å; I509-L532 CarbonylContact C-O 3.56Å; I509-L532 VanDerWaalsContact CA-O 3.31Å; I509-L532 WeakPolarHBondContact CA-O 3.19Å; I509-I533 HydrophobicContact CD1-CD1 4.28Å; I509-I533 HydrophobicContact CD1-CG1 4.37Å; I509-I533 HydrophobicContact CG1-CG1 4.11Å; I509-F570 HydrophobicContact CB-CZ 3.95Å; I509-F570 HydrophobicContact CG2-CE2 4.11Å; I509-F570 HydrophobicContact CG2-CZ 3.7Å; I509-L576 HydrophobicContact CD1-CD2 4.36Å
510M96.7Very high93Very high19 Ų1935.1 Ų35.19%0.09417%0.169CC..EExtended strand (participates in β ladder)trans-122.7162.5170.771.6-173.2178.800111P63 L532 I556 W561P63-M510 HydrophobicContact CB-CB 4.29Å; P63-M510 HydrophobicContact CG-CB 4.21Å; P63-M510 HydrophobicContact CG-SD 4.36Å; M510-L532 HydrophobicContact CE-CB 3.97Å; M510-L532 HydrophobicContact CE-CD2 3.41Å; M510-L532 VanDerWaalsContact CE-CD2 3.41Å; M510-L532 HydrophobicContact CE-CG 4.32Å; M510-L532 HydrophobicContact CG-CB 3.81Å; M510-L532 PolarHBondContact N-O 2.95Å; M510-L532 PolarHBondContact O-N 3.42Å; M510-I556 HydrophobicContact CE-CB 4.41Å; M510-I556 HydrophobicContact CE-CD1 3.34Å; M510-I556 HydrophobicContact CE-CG1 4.44Å; M510-I556 HydrophobicContact CE-CG2 4.36Å; M510-W561 HydrophobicContact CB-CH2 4.25Å; M510-W561 HydrophobicContact CB-CZ3 4.14Å; M510-W561 HydrophobicContact CE-CB 4.29Å; M510-W561 HydrophobicContact CE-CD2 3.35Å; M510-W561 HydrophobicContact CE-CE3 3.73Å; M510-W561 HydrophobicContact CE-CG 3.62Å; M510-W561 HydrophobicContact CE-CZ2 4.21Å; M510-W561 HydrophobicContact CE-CZ3 4.31Å; M510-W561 HydrophobicContact CG-CD2 4.41Å; M510-W561 HydrophobicContact CG-CE3 3.89Å; M510-W561 HydrophobicContact CG-CH2 4.02Å; M510-W561 HydrophobicContact CG-CZ2 4.5Å; M510-W561 HydrophobicContact CG-CZ3 3.67Å; M510-W561 HydrophobicContact SD-CD2 3.97Å; M510-W561 HydrophobicContact SD-CE3 4.04Å; M510-W561 HydrophobicContact SD-CH2 3.89Å; M510-W561 HydrophobicContact SD-CZ2 3.78Å; M510-W561 HydrophobicContact SD-CZ3 4Å
511L97Very high93Very high11 Ų1135.4 Ų35.46%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-105.4132.8173.9-61.9179.9000109.2V521 P527 E530 I531 F570L511-V521 HydrophobicContact CB-CG1 3.89Å; L511-P527 HydrophobicContact CD1-CB 4.29Å; L511-P527 WeakPolarHBondContact CD1-O 3.45Å; L511-E530 CarbonylContact C-O 3.12Å; L511-E530 VanDerWaalsContact CA-O 3.3Å; L511-E530 WeakPolarHBondContact CA-O 3.26Å; L511-I531 HydrophobicContact CD2-CG1 4.11Å; L511-F570 HydrophobicContact CD1-CD2 3.63Å; L511-F570 HydrophobicContact CD1-CE2 4.28Å; L511-F570 HydrophobicContact CD2-CD2 4.29Å; L511-F570 HydrophobicContact CD2-CE2 4.18Å; L511-F570 HydrophobicContact CG-CD2 3.76Å; L511-F570 HydrophobicContact CG-CE2 3.89Å
512R95.5Very high92.8Very high91 Ų9139.3 Ų39.334%0.34320%0.198SC..EExtended strand (participates in β ladder)trans-108.1132.9170.7176.1169.767.2-168.90.6108.9W514 G529 E530 L532 C563R512-W514 PolarHBondContact O-N 3.38Å; R512-G529 CarbonylContact O-C 3.19Å; R512-G529 WeakPolarHBondContact O-CA 3.43Å; R512-E530 HydrophobicContact CB-CB 4.4Å; R512-E530 IonicContact CZ-OE2 2.7Å; R512-E530 PolarHBondContact N-O 3.03Å; R512-E530 IonicContact NE-OE2 3.51Å; R512-E530 PolarHBondContact NE-OE2 3.49Å; R512-E530 IonicContact NH2-OE1 3.35Å; R512-E530 PolarHBondContact NH2-OE1 3.02Å; R512-E530 IonicContact NH2-OE2 3.5Å; R512-E530 PolarHBondContact NH2-OE2 3.16Å; R512-E530 PolarHBondContact O-N 3.21Å; R512-L532 HydrophobicContact CB-CD1 3.58Å; R512-L532 HydrophobicContact CB-CD2 4.44Å; R512-C563 PolarHBondContact NH2-SG 3Å
513D95.1Very high92.4Very high71 Ų7139.7 Ų39.738%0.3820%0.201SC..  trans-55.8138.1177-68.7-11.6000111.1T520 V521D513-T520 HydrophobicContact CB-CG2 4.45Å; D513-T520 WeakPolarHBondContact OD1-CA 3.23Å; D513-T520 WeakPolarHBondContact OD1-CB 3.31Å; D513-V521 WeakPolarHBondContact OD1-CG1 3.38Å; D513-V521 PolarHBondContact OD1-N 3.08Å
514W92.8Very high92Very high34 Ų3448 Ų4813%0.12924%0.237CC..BIsolated β-bridgetrans-121.482.8168.6-177.142.1000108.2R512 E516 G517 D518 Y519 I567 K582 L585 Y593R512-W514 PolarHBondContact O-N 3.38Å; W514-E516 HydrophobicContact CZ2-CB 4.43Å; W514-E516 PolarHBondContact NE1-OE2 3.3Å; W514-E516 PolarHBondContact O-N 2.93Å; W514-G517 PolarHBondContact O-N 3.44Å; W514-D518 PolarHBondContact O-N 2.87Å; W514-Y519 AromaticContact CE3-CD2 3.58Å; W514-Y519 HydrophobicContact CE3-CD2 3.58Å; W514-Y519 HydrophobicContact CE3-CE2 4.11Å; W514-Y519 AromaticContact CZ3-CD2 3.87Å; W514-Y519 HydrophobicContact CZ3-CD2 3.87Å; W514-Y519 AromaticContact CZ3-CE2 3.91Å; W514-Y519 HydrophobicContact CZ3-CE2 3.91Å; W514-Y519 PolarHBondContact N-O 3.36Å; W514-Y519 PolarHBondContact O-N 3.26Å; W514-I567 HydrophobicContact CB-CD1 4.21Å; W514-I567 HydrophobicContact CD2-CD1 4.24Å; W514-I567 HydrophobicContact CE3-CD1 3.65Å; W514-I567 HydrophobicContact CE3-CG1 3.89Å; W514-I567 HydrophobicContact CG-CD1 4.49Å; W514-I567 HydrophobicContact CZ3-CD1 4.43Å; W514-I567 HydrophobicContact CZ3-CG1 4.21Å; W514-K582 HydrophobicContact CD2-CD 3.71Å; W514-K582 HydrophobicContact CD2-CG 3.88Å; W514-K582 HydrophobicContact CE3-CD 4.21Å; W514-K582 HydrophobicContact CE3-CG 3.88Å; W514-K582 HydrophobicContact CG-CD 3.82Å; W514-K582 HydrophobicContact CG-CG 4.47Å; W514-K582 HydrophobicContact CH2-CB 4.39Å; W514-K582 HydrophobicContact CH2-CG 4.33Å; W514-K582 HydrophobicContact CZ2-CB 4.38Å; W514-K582 HydrophobicContact CZ2-CD 4.5Å; W514-K582 HydrophobicContact CZ2-CG 4.32Å; W514-K582 HydrophobicContact CZ3-CG 4.12Å; W514-L585 HydrophobicContact CE3-CD1 4.44Å; W514-L585 HydrophobicContact CH2-CB 4.05Å; W514-L585 HydrophobicContact CH2-CD1 4.29Å; W514-L585 HydrophobicContact CZ3-CB 4.13Å; W514-L585 HydrophobicContact CZ3-CD1 3.55Å; W514-L585 HydrophobicContact CZ3-CG 4.46Å; W514-Y593 HydrophobicContact CH2-CE1 4.27Å
515E86.3Confident91.7Very high164 Ų16452.6 Ų52.677%0.76627%0.267SS*.G310 helixtrans-55.4-36.9-174.1-62.8-174.4172.900112.8G517 D518E515-G517 PolarHBondContact O-N 3.3Å; E515-D518 PolarHBondContact O-N 2.84Å; E515-D518 VanDerWaalsContact O-N 3.11Å
516E81Confident91.6Very high139 Ų13956.1 Ų56.165%0.6528%0.28SS*.G310 helixtrans-57.9-36.6178.5-173.1-172.8179.600112.3W514 Y593W514-E516 HydrophobicContact CZ2-CB 4.43Å; W514-E516 PolarHBondContact NE1-OE2 3.3Å; W514-E516 PolarHBondContact O-N 2.93Å; E516-Y593 WeakPolarHBondContact O-CE2 3.25Å; E516-Y593 VanDerWaalsContact O-CZ 3.3Å; E516-Y593 PolarHBondContact O-OH 3.01Å
517G76.9Confident91.4Very high4 Ų457.5 Ų57.54%0.04129%0.289CS..G310 helixtrans-92.9-1.3179.700000115W514 E515 Y519W514-G517 PolarHBondContact O-N 3.44Å; E515-G517 PolarHBondContact O-N 3.3Å; G517-Y519 WeakPolarHBondContact O-CD2 3.3Å; G517-Y519 WeakPolarHBondContact O-CE2 3.47Å; G517-Y519 PolarHBondContact O-N 2.94Å
518D84.4Confident91.3Very high128 Ų12859 Ų5968%0.68430%0.296SS*.THydrogen-bonded Turntrans57.531-171.8-160.429.9000113.7W514 E515W514-D518 PolarHBondContact O-N 2.87Å; E515-D518 PolarHBondContact O-N 2.84Å; E515-D518 VanDerWaalsContact O-N 3.11Å
519Y90.1Very high91.2Very high31 Ų3159 Ų5912%0.12230%0.296CS..BIsolated β-bridgetrans-102.2108.4173.8-62.9-79000109.1W514 G517 Q528 I567 I579 L585W514-Y519 AromaticContact CE3-CD2 3.58Å; W514-Y519 HydrophobicContact CE3-CD2 3.58Å; W514-Y519 HydrophobicContact CE3-CE2 4.11Å; W514-Y519 AromaticContact CZ3-CD2 3.87Å; W514-Y519 HydrophobicContact CZ3-CD2 3.87Å; W514-Y519 AromaticContact CZ3-CE2 3.91Å; W514-Y519 HydrophobicContact CZ3-CE2 3.91Å; W514-Y519 PolarHBondContact N-O 3.36Å; W514-Y519 PolarHBondContact O-N 3.26Å; G517-Y519 WeakPolarHBondContact O-CD2 3.3Å; G517-Y519 WeakPolarHBondContact O-CE2 3.47Å; G517-Y519 PolarHBondContact O-N 2.94Å; Y519-Q528 HydrophobicContact CD1-CB 4.01Å; Y519-Q528 HydrophobicContact CD1-CG 4.48Å; Y519-I567 HydrophobicContact CD1-CG2 3.76Å; Y519-I567 HydrophobicContact CD2-CG2 4.18Å; Y519-I567 HydrophobicContact CE1-CG2 4.17Å; Y519-I567 HydrophobicContact CG-CG2 3.75Å; Y519-I579 HydrophobicContact CD1-CD1 4.1Å; Y519-I579 HydrophobicContact CE1-CD1 3.88Å; Y519-I579 HydrophobicContact CE1-CG2 4.19Å; Y519-L585 HydrophobicContact CE2-CD1 3.77Å
520T92.6Very high91.1Very high21 Ų2159.2 Ų59.213%0.12930%0.297CS..  trans-129.3158.1-178.673.20000111.7D513 S522 S523 Q528D513-T520 HydrophobicContact CB-CG2 4.45Å; D513-T520 WeakPolarHBondContact OD1-CA 3.23Å; D513-T520 WeakPolarHBondContact OD1-CB 3.31Å; T520-S522 PolarHBondContact O-N 3.45Å; T520-S522 PolarHBondContact OG1-N 2.9Å; T520-S522 PolarHBondContact OG1-OG 3.46Å; T520-S523 PolarHBondContact N-OG 2.95Å; T520-S523 VanDerWaalsContact N-OG 3.11Å; T520-S523 WeakPolarHBondContact O-CB 3.27Å; T520-S523 PolarHBondContact O-N 3.24Å; T520-S523 PolarHBondContact O-OG 2.76Å; T520-S523 VanDerWaalsContact O-OG 3.04Å; T520-S523 PolarHBondContact OG1-N 3.49Å; T520-Q528 CarbonylContact C-O 3.52Å; T520-Q528 WeakPolarHBondContact CA-O 3.39Å; T520-Q528 CarbonylContact O-C 3.31Å; T520-Q528 PolarHBondContact O-N 2.86Å
521V93.4Very high91.2Very high17 Ų1758.3 Ų58.310%0.10329%0.293CS..THydrogen-bonded Turntrans-62.1-12.7173.8-59.50000112.3P60 T61 L511 D513 P527 Q528P60-V521 HydrophobicContact CB-CB 3.99Å; P60-V521 HydrophobicContact CB-CG2 4Å; P60-V521 HydrophobicContact CG-CG2 4.01Å; T61-V521 HydrophobicContact CG2-CG2 4.21Å; L511-V521 HydrophobicContact CB-CG1 3.89Å; D513-V521 WeakPolarHBondContact OD1-CG1 3.38Å; D513-V521 PolarHBondContact OD1-N 3.08Å; V521-P527 VanDerWaalsContact O-CB 3.29Å; V521-P527 WeakPolarHBondContact O-CB 3.34Å; V521-Q528 PolarHBondContact N-O 3.14Å; V521-Q528 VanDerWaalsContact N-O 3.12Å
522S91.1Very high91.2Very high83 Ų8357.8 Ų57.858%0.5829%0.29SS*.THydrogen-bonded Turntrans-92.7-7.3174.377.30000114.5T520T520-S522 PolarHBondContact O-N 3.45Å; T520-S522 PolarHBondContact OG1-N 2.9Å; T520-S522 PolarHBondContact OG1-OG 3.46Å
523S88.3Confident91.4Very high17 Ų1753.5 Ų53.512%0.11927%0.274CS..  trans-51.1149179-700000112.2T520 Y526 Q528T520-S523 PolarHBondContact N-OG 2.95Å; T520-S523 VanDerWaalsContact N-OG 3.11Å; T520-S523 WeakPolarHBondContact O-CB 3.27Å; T520-S523 PolarHBondContact O-N 3.24Å; T520-S523 PolarHBondContact O-OG 2.76Å; T520-S523 VanDerWaalsContact O-OG 3.04Å; T520-S523 PolarHBondContact OG1-N 3.49Å; S523-Y526 CarbonylContact C-O 3.51Å; S523-Y526 VanDerWaalsContact C-O 3.31Å; S523-Y526 CarbonylContact O-C 3.53Å; S523-Q528 PolarHBondContact OG-OE1 2.93Å
524K88.1Confident91.5Very high176 Ų17650.5 Ų50.577%0.76526%0.258SS*.SBendtrans-120.9144.7-179.2-61.7-61177.8-168.10110.5
525P90.3Very high91.7Very high96 Ų9649.8 Ų49.862%0.62326%0.262SS*.SBendcis-76-14.65.430.7-35.6000114.7
526Y92.7Very high92.2Very high77 Ų7742.6 Ų42.630%0.30223%0.231SC..SBendtrans-130148.8-172.7-55.8-47000111.3S523 E569 F570 H571 P572S523-Y526 CarbonylContact C-O 3.51Å; S523-Y526 VanDerWaalsContact C-O 3.31Å; S523-Y526 CarbonylContact O-C 3.53Å; Y526-E569 HydrophobicContact CD2-CG 4.13Å; Y526-E569 HydrophobicContact CG-CG 4.32Å; Y526-F570 WeakPolarHBondContact CB-O 3.33Å; Y526-H571 AromaticContact CD2-CE1 3.8Å; Y526-H571 AromaticContact CD2-ND1 3.84Å; Y526-H571 AromaticContact CE2-CE1 3.58Å; Y526-H571 AromaticContact CE2-ND1 3.52Å; Y526-H571 AromaticContact CZ-ND1 3.93Å; Y526-P572 HydrophobicContact CD1-CG 4.26Å; Y526-P572 HydrophobicContact CE1-CG 3.73Å
527P94.2Very high93Very high29 Ų2936 Ų3619%0.18820%0.2CC..  trans-62.1136.5177.128-36.8000110.9L511 V521 E569 F570L511-P527 HydrophobicContact CD1-CB 4.29Å; L511-P527 WeakPolarHBondContact CD1-O 3.45Å; V521-P527 VanDerWaalsContact O-CB 3.29Å; V521-P527 WeakPolarHBondContact O-CB 3.34Å; P527-E569 WeakPolarHBondContact O-CA 3.39Å; P527-F570 HydrophobicContact CG-CB 4.05Å; P527-F570 PolarHBondContact O-N 2.83Å; P527-F570 VanDerWaalsContact O-N 3.16Å
528Q94.9Very high94Very high30 Ų3036.5 Ų36.514%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-129.3162.5-177.7-67.5169.5-1600110.9Y519 T520 V521 S523 G568 E569 I579Y519-Q528 HydrophobicContact CD1-CB 4.01Å; Y519-Q528 HydrophobicContact CD1-CG 4.48Å; T520-Q528 CarbonylContact C-O 3.52Å; T520-Q528 WeakPolarHBondContact CA-O 3.39Å; T520-Q528 CarbonylContact O-C 3.31Å; T520-Q528 PolarHBondContact O-N 2.86Å; V521-Q528 PolarHBondContact N-O 3.14Å; V521-Q528 VanDerWaalsContact N-O 3.12Å; S523-Q528 PolarHBondContact OG-OE1 2.93Å; Q528-G568 VanDerWaalsContact CA-O 3.23Å; Q528-G568 WeakPolarHBondContact CA-O 3.13Å; Q528-E569 HydrophobicContact CG-CB 4.05Å; Q528-E569 HydrophobicContact CG-CG 4.09Å; Q528-E569 PolarHBondContact NE2-OE2 3.14Å; Q528-I579 HydrophobicContact CB-CD1 4.49Å; Q528-I579 HydrophobicContact CG-CD1 3.92Å
529G95.3Very high94.7Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans158.1179.7175.300000112.3R512 I567 G568R512-G529 CarbonylContact O-C 3.19Å; R512-G529 WeakPolarHBondContact O-CA 3.43Å; G529-I567 CarbonylContact O-C 3.46Å; G529-I567 WeakPolarHBondContact O-CA 3.36Å; G529-G568 PolarHBondContact N-O 3.04Å; G529-G568 VanDerWaalsContact N-O 3.12Å; G529-G568 PolarHBondContact O-N 3.19Å
530E96.8Very high94.9Very high6 Ų632.7 Ų32.73%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-65.6132.5170.7179.7-173.9-158.200111L511 R512 L532 D566 I567 K582L511-E530 CarbonylContact C-O 3.12Å; L511-E530 VanDerWaalsContact CA-O 3.3Å; L511-E530 WeakPolarHBondContact CA-O 3.26Å; R512-E530 HydrophobicContact CB-CB 4.4Å; R512-E530 IonicContact CZ-OE2 2.7Å; R512-E530 PolarHBondContact N-O 3.03Å; R512-E530 IonicContact NE-OE2 3.51Å; R512-E530 PolarHBondContact NE-OE2 3.49Å; R512-E530 IonicContact NH2-OE1 3.35Å; R512-E530 PolarHBondContact NH2-OE1 3.02Å; R512-E530 IonicContact NH2-OE2 3.5Å; R512-E530 PolarHBondContact NH2-OE2 3.16Å; R512-E530 PolarHBondContact O-N 3.21Å; E530-L532 HydrophobicContact CB-CD1 4.24Å; E530-L532 HydrophobicContact CG-CD1 3.81Å; E530-L532 WeakPolarHBondContact O-CD1 3.48Å; E530-D566 CarbonylContact C-O 3.56Å; E530-D566 WeakPolarHBondContact CA-O 3.36Å; E530-I567 HydrophobicContact CB-CD1 4.12Å; E530-K582 VanDerWaalsContact OE1-CE 3.24Å; E530-K582 WeakPolarHBondContact OE1-CE 3.44Å; E530-K582 IonicContact OE1-NZ 3.31Å; E530-K582 PolarHBondContact OE1-NZ 2.66Å; E530-K582 IonicContact OE2-NZ 2.68Å; E530-K582 PolarHBondContact OE2-NZ 3.22Å
531I97.9Very high95.1Very high0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-77.3123.5177.8-59.9159.3000109.3Y478 I509 L511 I533 T564 D566 L576 I578Y478-I531 HydrophobicContact CE1-CD1 4.25Å; Y478-I531 HydrophobicContact CE1-CG2 4.18Å; I509-I531 HydrophobicContact CG2-CG2 3.69Å; L511-I531 HydrophobicContact CD2-CG1 4.11Å; I531-I533 HydrophobicContact CG2-CD1 4.2Å; I531-I533 HydrophobicContact CG2-CG1 3.94Å; I531-T564 HydrophobicContact CB-CG2 4.37Å; I531-T564 HydrophobicContact CG2-CG2 4.11Å; I531-T564 WeakPolarHBondContact O-CG2 3.31Å; I531-T564 PolarHBondContact O-N 2.95Å; I531-T564 VanDerWaalsContact O-N 3.14Å; I531-T564 PolarHBondContact O-OG1 3.21Å; I531-T564 VanDerWaalsContact O-OG1 3.08Å; I531-D566 HydrophobicContact CD1-CB 4.16Å; I531-D566 PolarHBondContact N-O 3.05Å; I531-L576 HydrophobicContact CD1-CD2 3.91Å; I531-L576 HydrophobicContact CG1-CD1 4.5Å; I531-L576 HydrophobicContact CG1-CD2 4.29Å; I531-L576 HydrophobicContact CG2-CD2 4.42Å; I531-I578 HydrophobicContact CD1-CD1 3.47Å; I531-I578 VanDerWaalsContact CD1-CD1 3.47Å
532L98.3Very high95.2Very high0 Ų031.4 Ų31.40%018%0.181CC..EExtended strand (participates in β ladder)trans-115134.8169.7-82.170000109I509 M510 R512 E530 V554 I556 W561 F562I509-L532 CarbonylContact C-O 3.56Å; I509-L532 VanDerWaalsContact CA-O 3.31Å; I509-L532 WeakPolarHBondContact CA-O 3.19Å; M510-L532 HydrophobicContact CE-CB 3.97Å; M510-L532 HydrophobicContact CE-CD2 3.41Å; M510-L532 VanDerWaalsContact CE-CD2 3.41Å; M510-L532 HydrophobicContact CE-CG 4.32Å; M510-L532 HydrophobicContact CG-CB 3.81Å; M510-L532 PolarHBondContact N-O 2.95Å; M510-L532 PolarHBondContact O-N 3.42Å; R512-L532 HydrophobicContact CB-CD1 3.58Å; R512-L532 HydrophobicContact CB-CD2 4.44Å; E530-L532 HydrophobicContact CB-CD1 4.24Å; E530-L532 HydrophobicContact CG-CD1 3.81Å; E530-L532 WeakPolarHBondContact O-CD1 3.48Å; L532-V554 HydrophobicContact CD2-CG2 4.41Å; L532-I556 HydrophobicContact CD2-CD1 3.75Å; L532-W561 HydrophobicContact CB-CB 4.38Å; L532-W561 HydrophobicContact CB-CD2 4.48Å; L532-W561 HydrophobicContact CB-CE3 3.8Å; L532-W561 HydrophobicContact CD2-CB 4.17Å; L532-W561 WeakPolarHBondContact O-CZ3 3.48Å; L532-F562 VanDerWaalsContact CA-O 3.32Å; L532-F562 WeakPolarHBondContact CA-O 3.37Å
533I98.5Very high95.4Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-121.1134-177.1-55.1-174.5000110.4Y478 T483 N507 I509 I531 V538 W561 F562 T564Y478-I533 HydrophobicContact CE1-CD1 3.97Å; T483-I533 HydrophobicContact CG2-CB 4.22Å; T483-I533 HydrophobicContact CG2-CD1 4Å; T483-I533 HydrophobicContact CG2-CG2 4.19Å; N507-I533 HydrophobicContact CB-CG2 4.09Å; I509-I533 HydrophobicContact CD1-CD1 4.28Å; I509-I533 HydrophobicContact CD1-CG1 4.37Å; I509-I533 HydrophobicContact CG1-CG1 4.11Å; I531-I533 HydrophobicContact CG2-CD1 4.2Å; I531-I533 HydrophobicContact CG2-CG1 3.94Å; I533-V538 HydrophobicContact CG2-CG2 3.99Å; I533-W561 WeakPolarHBondContact O-CA 3.15Å; I533-F562 PolarHBondContact N-O 3.18Å; I533-F562 PolarHBondContact O-N 2.83Å; I533-T564 HydrophobicContact CD1-CG2 3.97Å; I533-T564 HydrophobicContact CG1-CG2 3.98Å
534S98.1Very high95.6Very high8 Ų832.2 Ų32.26%0.05618%0.177CC..EExtended strand (participates in β ladder)trans-135.4128173.9-177.80000110.3N507 D508 R559 I560 W561N507-S534 WeakPolarHBondContact CA-O 3.46Å; D508-S534 PolarHBondContact N-O 2.83Å; D508-S534 PolarHBondContact O-N 2.9Å; S534-R559 PolarHBondContact O-NH2 3.43Å; S534-R559 PolarHBondContact OG-NE 3Å; S534-R559 PolarHBondContact OG-NH2 3.4Å; S534-I560 WeakPolarHBondContact CB-O 3.5Å; S534-I560 PolarHBondContact OG-O 2.79Å; S534-W561 VanDerWaalsContact CB-CD2 3.48Å; S534-W561 VanDerWaalsContact CB-CE3 3.48Å
535G97Very high95.9Very high20 Ų2026.4 Ų26.421%0.20616%0.155CC..EExtended strand (participates in β ladder)trans173.6177.6-176.700000112.5C506 N537 V538C506-G535 VanDerWaalsContact O-CA 3.27Å; C506-G535 WeakPolarHBondContact O-CA 3.33Å; G535-N537 PolarHBondContact O-N 3.48Å; G535-V538 PolarHBondContact O-N 3.45Å
536A96.7Very high96.1Very high13 Ų1326.7 Ų26.711%0.10716%0.157CC..THydrogen-bonded Turntrans-69.3-16.9-179.200000113.5T75 K300 N301 A304 C506T75-A536 HydrophobicContact CG2-CB 3.48Å; T75-A536 VanDerWaalsContact CG2-CB 3.48Å; K300-A536 HydrophobicContact CG-CB 4.36Å; N301-A536 VanDerWaalsContact CA-O 3.26Å; N301-A536 WeakPolarHBondContact CA-O 3.43Å; N301-A536 PolarHBondContact ND2-O 3.02Å; A304-A536 HydrophobicContact CB-CB 3.73Å; C506-A536 PolarHBondContact O-N 3.39Å
537N97.7Very high96.2Very high0 Ų030.9 Ų30.90%018%0.179CC..THydrogen-bonded Turntrans-80.9-12.9175.263.7-45.8000114.1A305 T483 S484 G486 N507 G535A305-N537 HydrophobicContact CB-CB 3.91Å; T483-N537 CarbonylContact C-O 3.23Å; T483-N537 WeakPolarHBondContact CA-O 3.2Å; T483-N537 PolarHBondContact O-ND2 3.44Å; S484-N537 WeakPolarHBondContact CB-O 3.27Å; S484-N537 PolarHBondContact N-O 2.73Å; S484-N537 PolarHBondContact OG-O 3.44Å; G486-N537 PolarHBondContact O-ND2 3.19Å; N507-N537 WeakPolarHBondContact CB-OD1 3.34Å; N507-N537 PolarHBondContact ND2-ND2 2.72Å; G535-N537 PolarHBondContact O-N 3.48Å
538V98.2Very high96.1Very high14 Ų1431.2 Ų31.29%0.08518%0.177CC..SBendtrans-77.7129.7-178.5179.40000110N301 I533 G535 F553 F562N301-V538 PolarHBondContact ND2-O 2.87Å; I533-V538 HydrophobicContact CG2-CG2 3.99Å; G535-V538 PolarHBondContact O-N 3.45Å; V538-F553 HydrophobicContact CG1-CD1 4.02Å; V538-F553 HydrophobicContact CG1-CE1 3.78Å; V538-F562 HydrophobicContact CG1-CB 3.8Å
539S97.8Very high96.1Very high6 Ų631 Ų314%0.04218%0.178CC..  trans-65.3164.7-177.776.40000112.7L296 E482 G541 F553L296-S539 VanDerWaalsContact O-CB 3.3Å; L296-S539 WeakPolarHBondContact O-CB 2.97Å; E482-S539 WeakPolarHBondContact O-CB 3.45Å; E482-S539 PolarHBondContact O-N 3.29Å; E482-S539 PolarHBondContact O-OG 2.67Å; S539-G541 PolarHBondContact O-N 3.01Å; S539-F553 VanDerWaalsContact O-CE1 3.32Å; S539-F553 WeakPolarHBondContact O-CE1 3.42Å; S539-F553 WeakPolarHBondContact OG-CE1 3.42Å; S539-F553 WeakPolarHBondContact OG-CZ 3.26Å
540S95.7Very high96.1Very high74 Ų7434.3 Ų34.352%0.51721%0.206SC..  trans-82.20.117865.30000113.9L296L296-S540 WeakPolarHBondContact CB-OG 3.49Å; L296-S540 PolarHBondContact O-N 2.8Å
541G96.7Very high96Very high0 Ų039.9 Ų39.90%023%0.232CC..  trans121.2-153.8-177.200000114L296 S539L296-G541 PolarHBondContact N-O 3.2Å; S539-G541 PolarHBondContact O-N 3.01Å
542Y95.6Very high95.9Very high10 Ų1041 Ų414%0.03924%0.238CC..BIsolated β-bridgetrans-111.1139.1-175.8-57.7-65.6000111.8K293 G294 V295 E482 N544 N545 K548 T549 D552 F553K293-Y542 HydrophobicContact CB-CD1 3.84Å; K293-Y542 HydrophobicContact CB-CE1 4.24Å; K293-Y542 HydrophobicContact CB-CG 4.45Å; K293-Y542 HydrophobicContact CD-CD1 4.05Å; K293-Y542 HydrophobicContact CD-CE1 3.94Å; K293-Y542 HydrophobicContact CD-CE2 4.42Å; K293-Y542 HydrophobicContact CD-CG 4.34Å; G294-Y542 CarbonylContact O-C 3.57Å; G294-Y542 WeakPolarHBondContact O-CA 3.46Å; V295-Y542 HydrophobicContact CG2-CD1 4.1Å; V295-Y542 HydrophobicContact CG2-CE1 3.9Å; E482-Y542 HydrophobicContact CG-CE1 4Å; E482-Y542 WeakPolarHBondContact OE1-CE1 3.46Å; E482-Y542 PolarHBondContact OE1-OH 3.36Å; Y542-N544 PolarHBondContact O-N 3.26Å; Y542-N545 PolarHBondContact O-N 3.39Å; Y542-K548 HydrophobicContact CD2-CB 4.12Å; Y542-K548 HydrophobicContact CD2-CG 3.9Å; Y542-K548 HydrophobicContact CE2-CB 4.49Å; Y542-K548 HydrophobicContact CE2-CG 3.84Å; Y542-T549 PolarHBondContact N-OG1 3.38Å; Y542-D552 HydrophobicContact CE2-CB 4.13Å; Y542-D552 WeakPolarHBondContact CE2-OD2 3.32Å; Y542-D552 PolarHBondContact OH-OD2 3.28Å; Y542-D552 VanDerWaalsContact OH-OD2 3.06Å; Y542-F553 HydrophobicContact CD2-CE2 4.33Å; Y542-F553 HydrophobicContact CE2-CD2 4.48Å; Y542-F553 AromaticContact CE2-CE2 3.81Å; Y542-F553 HydrophobicContact CE2-CE2 3.81Å
543L95.1Very high95.9Very high5 Ų542 Ų423%0.02624%0.242CC..THydrogen-bonded Turntrans-56128.1173.8-178.766.4000109.8E200 T201 I282 G294 L296 N545E200-L543 HydrophobicContact CG-CD2 4.33Å; T201-L543 HydrophobicContact CG2-CD2 3.66Å; I282-L543 HydrophobicContact CD1-CD1 4.42Å; I282-L543 HydrophobicContact CD1-CD2 4.33Å; I282-L543 HydrophobicContact CG2-CD2 4.32Å; G294-L543 PolarHBondContact O-N 3.28Å; L296-L543 HydrophobicContact CD2-CB 4.06Å; L296-L543 HydrophobicContact CD2-CD1 4.17Å; L543-N545 PolarHBondContact O-N 2.94Å
544N93.1Very high95.8Very high112 Ų11243.4 Ų43.460%0.59925%0.251SS*.THydrogen-bonded Turntrans51.525.8175-58.8-25.4000114.9E200 Y542E200-N544 PolarHBondContact O-ND2 2.76Å; Y542-N544 PolarHBondContact O-N 3.26Å
545N92.5Very high95.7Very high55 Ų5550.8 Ų50.829%0.29428%0.282SS..  trans-137.570-177.5-162.5-20.8000112.1Y542 L543 E547 K548 T549Y542-N545 PolarHBondContact O-N 3.39Å; L543-N545 PolarHBondContact O-N 2.94Å; N545-E547 VanDerWaalsContact C-N 3.34Å; N545-E547 PolarHBondContact O-N 3.33Å; N545-K548 HydrophobicContact CB-CB 4.46Å; N545-K548 VanDerWaalsContact CG-CB 3.43Å; N545-K548 WeakPolarHBondContact OD1-CB 3.35Å; N545-K548 PolarHBondContact OD1-N 3.45Å; N545-K548 VanDerWaalsContact OD1-N 3.14Å; N545-T549 WeakPolarHBondContact O-CB 3.36Å; N545-T549 PolarHBondContact O-N 3.39Å; N545-T549 PolarHBondContact O-OG1 2.93Å
546P95.3Very high95.6Very high101 Ų10153.2 Ų53.266%0.65629%0.289SS*.Hα-helixtrans-66.1-32.9-177.126.5-34.5000112.9T549 A550P546-T549 PolarHBondContact O-N 3.21Å; P546-A550 WeakPolarHBondContact O-CB 3.44Å; P546-A550 PolarHBondContact O-N 2.5Å
547E94.5Very high95.4Very high165 Ų16555.8 Ų55.877%0.77132%0.317SS*.Hα-helixtrans-64-52.4178.7-65.5-178.3177.500111.3N545 T549 A550 E551N545-E547 VanDerWaalsContact C-N 3.34Å; N545-E547 PolarHBondContact O-N 3.33Å; E547-T549 PolarHBondContact O-N 3.2Å; E547-A550 PolarHBondContact O-N 2.78Å; E547-E551 PolarHBondContact O-N 3.03Å
548K92.1Very high95.2Very high36 Ų3662.7 Ų62.716%0.15735%0.354CS..Hα-helixtrans-66.1-31.5177.9-167.867-135.2166.80111.8K293 Y542 N545 E551 D552K293-K548 HydrophobicContact CD-CG 4.27Å; K293-K548 VanDerWaalsContact NZ-CE 3.33Å; Y542-K548 HydrophobicContact CD2-CB 4.12Å; Y542-K548 HydrophobicContact CD2-CG 3.9Å; Y542-K548 HydrophobicContact CE2-CB 4.49Å; Y542-K548 HydrophobicContact CE2-CG 3.84Å; N545-K548 HydrophobicContact CB-CB 4.46Å; N545-K548 VanDerWaalsContact CG-CB 3.43Å; N545-K548 WeakPolarHBondContact OD1-CB 3.35Å; N545-K548 PolarHBondContact OD1-N 3.45Å; N545-K548 VanDerWaalsContact OD1-N 3.14Å; K548-E551 WeakPolarHBondContact CD-OE2 3.13Å; K548-E551 WeakPolarHBondContact CE-OE2 3.39Å; K548-E551 IonicContact NZ-OE1 2.83Å; K548-E551 PolarHBondContact NZ-OE1 3.04Å; K548-E551 IonicContact NZ-OE2 3.58Å; K548-E551 PolarHBondContact NZ-OE2 3.23Å; K548-E551 PolarHBondContact O-N 3.11Å; K548-D552 WeakPolarHBondContact CE-OD1 3.32Å; K548-D552 WeakPolarHBondContact CE-OD2 3.49Å; K548-D552 IonicContact NZ-OD1 3.66Å; K548-D552 PolarHBondContact NZ-OD1 2.94Å; K548-D552 IonicContact NZ-OD2 2.68Å; K548-D552 PolarHBondContact NZ-OD2 3.39Å; K548-D552 PolarHBondContact O-N 3.22Å
549T95.6Very high95Very high26 Ų2664.5 Ų64.516%0.1636%0.359CS..Hα-helixtrans-63.9-46.7172.8-60.80000110.8Y542 N545 P546 E547 E551 D552 F553Y542-T549 PolarHBondContact N-OG1 3.38Å; N545-T549 WeakPolarHBondContact O-CB 3.36Å; N545-T549 PolarHBondContact O-N 3.39Å; N545-T549 PolarHBondContact O-OG1 2.93Å; P546-T549 PolarHBondContact O-N 3.21Å; E547-T549 PolarHBondContact O-N 3.2Å; T549-E551 VanDerWaalsContact C-N 3.28Å; T549-E551 PolarHBondContact O-N 2.62Å; T549-D552 PolarHBondContact O-N 3.43Å; T549-F553 HydrophobicContact CG2-CD2 4.1Å; T549-F553 WeakPolarHBondContact O-CA 3.36Å; T549-F553 VanDerWaalsContact O-CB 3.27Å; T549-F553 WeakPolarHBondContact O-CB 3.4Å; T549-F553 WeakPolarHBondContact O-CD2 3.16Å; T549-F553 PolarHBondContact O-N 2.79Å
550A96.1Very high95Very high70 Ų7069.1 Ų69.158%0.57938%0.383SS*.Hα-helixtrans-65.5-30.8177.800000113.1P546 E547P546-A550 WeakPolarHBondContact O-CB 3.44Å; P546-A550 PolarHBondContact O-N 2.5Å; E547-A550 PolarHBondContact O-N 2.78Å
551E94.5Very high95.1Very high123 Ų12366 Ų6658%0.57536%0.359SS*.Hα-helixtrans-70.1-47.6175.9-168.4-167.414900112.3E547 K548 T549E547-E551 PolarHBondContact O-N 3.03Å; K548-E551 WeakPolarHBondContact CD-OE2 3.13Å; K548-E551 WeakPolarHBondContact CE-OE2 3.39Å; K548-E551 IonicContact NZ-OE1 2.83Å; K548-E551 PolarHBondContact NZ-OE1 3.04Å; K548-E551 IonicContact NZ-OE2 3.58Å; K548-E551 PolarHBondContact NZ-OE2 3.23Å; K548-E551 PolarHBondContact O-N 3.11Å; T549-E551 VanDerWaalsContact C-N 3.28Å; T549-E551 PolarHBondContact O-N 2.62Å
552D95.3Very high95.2Very high23 Ų2366.2 Ų66.212%0.12336%0.36CS..Hα-helixtrans-88.8-24.1-172.9-65.8-12.1000112.5K293 Y542 K548 T549 F562 C563K293-D552 IonicContact NZ-OD2 3.58Å; Y542-D552 HydrophobicContact CE2-CB 4.13Å; Y542-D552 WeakPolarHBondContact CE2-OD2 3.32Å; Y542-D552 PolarHBondContact OH-OD2 3.28Å; Y542-D552 VanDerWaalsContact OH-OD2 3.06Å; K548-D552 WeakPolarHBondContact CE-OD1 3.32Å; K548-D552 WeakPolarHBondContact CE-OD2 3.49Å; K548-D552 IonicContact NZ-OD1 3.66Å; K548-D552 PolarHBondContact NZ-OD1 2.94Å; K548-D552 IonicContact NZ-OD2 2.68Å; K548-D552 PolarHBondContact NZ-OD2 3.39Å; K548-D552 PolarHBondContact O-N 3.22Å; T549-D552 PolarHBondContact O-N 3.43Å; D552-F562 HydrophobicContact CB-CD2 4.33Å; D552-F562 HydrophobicContact CB-CE2 4.05Å; D552-F562 CarbonylContact O-C 3.59Å; D552-F562 WeakPolarHBondContact O-CA 3.17Å; D552-C563 PolarHBondContact O-N 3.43Å
553F97.4Very high95.2Very high20 Ų2066.2 Ų66.29%0.08836%0.362CS..EExtended strand (participates in β ladder)trans-113.686.4-179.2-60.9-101.8000110.5E482 V538 S539 Y542 T549 I560 W561 F562E482-F553 HydrophobicContact CB-CZ 4.09Å; E482-F553 HydrophobicContact CG-CZ 4.04Å; V538-F553 HydrophobicContact CG1-CD1 4.02Å; V538-F553 HydrophobicContact CG1-CE1 3.78Å; S539-F553 VanDerWaalsContact O-CE1 3.32Å; S539-F553 WeakPolarHBondContact O-CE1 3.42Å; S539-F553 WeakPolarHBondContact OG-CE1 3.42Å; S539-F553 WeakPolarHBondContact OG-CZ 3.26Å; Y542-F553 HydrophobicContact CD2-CE2 4.33Å; Y542-F553 HydrophobicContact CE2-CD2 4.48Å; Y542-F553 AromaticContact CE2-CE2 3.81Å; Y542-F553 HydrophobicContact CE2-CE2 3.81Å; T549-F553 HydrophobicContact CG2-CD2 4.1Å; T549-F553 WeakPolarHBondContact O-CA 3.36Å; T549-F553 VanDerWaalsContact O-CB 3.27Å; T549-F553 WeakPolarHBondContact O-CB 3.4Å; T549-F553 WeakPolarHBondContact O-CD2 3.16Å; T549-F553 PolarHBondContact O-N 2.79Å; F553-I560 HydrophobicContact CB-CG2 3.96Å; F553-I560 HydrophobicContact CD1-CG2 4.43Å; F553-W561 CarbonylContact C-O 3.54Å; F553-W561 WeakPolarHBondContact CA-O 3.46Å; F553-F562 HydrophobicContact CD1-CB 4.15Å; F553-F562 HydrophobicContact CD1-CD2 4.11Å; F553-F562 HydrophobicContact CD2-CD2 4.27Å; F553-F562 HydrophobicContact CE1-CB 4.07Å; F553-F562 AromaticContact CE1-CD2 3.71Å; F553-F562 HydrophobicContact CE1-CD2 3.71Å; F553-F562 HydrophobicContact CE1-CG 4.15Å; F553-F562 AromaticContact CE2-CD2 3.87Å; F553-F562 HydrophobicContact CE2-CD2 3.87Å; F553-F562 HydrophobicContact CE2-CE2 4.13Å; F553-F562 HydrophobicContact CG-CD2 4.38Å; F553-F562 AromaticContact CZ-CD2 3.57Å; F553-F562 HydrophobicContact CZ-CD2 3.57Å; F553-F562 AromaticContact CZ-CE2 4Å; F553-F562 HydrophobicContact CZ-CE2 4Å; F553-F562 HydrophobicContact CZ-CG 4.37Å
554V97.3Very high95.3Very high30 Ų3066.6 Ų66.618%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-91.8141.4-172.8-60.10000111.7L532 I556 W561 C563L532-V554 HydrophobicContact CD2-CG2 4.41Å; V554-I556 HydrophobicContact CG2-CD1 3.74Å; V554-I556 HydrophobicContact CG2-CG1 4.02Å; V554-W561 HydrophobicContact CG2-CB 4.18Å; V554-W561 PolarHBondContact N-O 3.34Å; V554-W561 PolarHBondContact O-N 2.88Å; V554-C563 VanDerWaalsContact CG2-SG 3.52Å
555K96.6Very high95.3Very high163 Ų16362.4 Ų62.471%0.70935%0.347SS*.EExtended strand (participates in β ladder)trans-86.3118.4172.3-171.8176.5-178.8178.90109.8G557 R559K555-G557 WeakPolarHBondContact CE-O 3.16Å; K555-R559 WeakPolarHBondContact CA-O 3.29Å
556I95.1Very high95.4Very high71 Ų7160.1 Ų60.136%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-125.8112.3175.4-60.3168.5000107.2M510 L532 V554 D558 R559 W561M510-I556 HydrophobicContact CE-CB 4.41Å; M510-I556 HydrophobicContact CE-CD1 3.34Å; M510-I556 HydrophobicContact CE-CG1 4.44Å; M510-I556 HydrophobicContact CE-CG2 4.36Å; L532-I556 HydrophobicContact CD2-CD1 3.75Å; V554-I556 HydrophobicContact CG2-CD1 3.74Å; V554-I556 HydrophobicContact CG2-CG1 4.02Å; I556-D558 PolarHBondContact O-N 3.42Å; I556-R559 PolarHBondContact N-O 2.74Å; I556-R559 PolarHBondContact O-N 2.9Å; I556-W561 HydrophobicContact CD1-CB 4.43Å; I556-W561 HydrophobicContact CD1-CG 4.37Å
557G92.2Very high95.4Very high67 Ų6755.3 Ų55.369%0.69130%0.304SS*.THydrogen-bonded Turntrans66.1-126.4-168.800000111.8K555K555-G557 WeakPolarHBondContact CE-O 3.16Å
558D92.8Very high95.4Very high146 Ų14647.5 Ų47.578%0.78127%0.267SS*.THydrogen-bonded Turntrans-93.4-0.5179.563-25000113.6I556I556-D558 PolarHBondContact O-N 3.42Å
559R94.7Very high95.6Very high52 Ų5246.3 Ų46.320%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-119149.4-172.3-68.5172.968.5169.89.1113.1D508 S534 K555 I556D508-R559 IonicContact OD2-CZ 3.6Å; D508-R559 IonicContact OD2-NH1 2.73Å; D508-R559 PolarHBondContact OD2-NH1 3.21Å; D508-R559 IonicContact OD2-NH2 3.66Å; D508-R559 PolarHBondContact OD2-NH2 3.44Å; S534-R559 PolarHBondContact O-NH2 3.43Å; S534-R559 PolarHBondContact OG-NE 3Å; S534-R559 PolarHBondContact OG-NH2 3.4Å; K555-R559 WeakPolarHBondContact CA-O 3.29Å; I556-R559 PolarHBondContact N-O 2.74Å; I556-R559 PolarHBondContact O-N 2.9Å
560I96.7Very high95.6Very high103 Ų10345.1 Ų45.153%0.52826%0.255SS..EExtended strand (participates in β ladder)trans-88.1132.3168-59.8178.9000108.3S534 F553S534-I560 WeakPolarHBondContact CB-O 3.5Å; S534-I560 PolarHBondContact OG-O 2.79Å; F553-I560 HydrophobicContact CB-CG2 3.96Å; F553-I560 HydrophobicContact CD1-CG2 4.43Å
561W97.9Very high95.5Very high7 Ų743.2 Ų43.23%0.02723%0.234CC..EExtended strand (participates in β ladder)trans-121.6125.9178.7-68.884.8000109.8P63 D508 M510 L532 I533 S534 F553 V554 I556P63-W561 HydrophobicContact CB-CH2 3.7Å; P63-W561 HydrophobicContact CB-CZ2 4.34Å; P63-W561 HydrophobicContact CG-CH2 3.52Å; P63-W561 HydrophobicContact CG-CZ2 3.68Å; D508-W561 HydrophobicContact CB-CH2 4Å; M510-W561 HydrophobicContact CB-CH2 4.25Å; M510-W561 HydrophobicContact CB-CZ3 4.14Å; M510-W561 HydrophobicContact CE-CB 4.29Å; M510-W561 HydrophobicContact CE-CD2 3.35Å; M510-W561 HydrophobicContact CE-CE3 3.73Å; M510-W561 HydrophobicContact CE-CG 3.62Å; M510-W561 HydrophobicContact CE-CZ2 4.21Å; M510-W561 HydrophobicContact CE-CZ3 4.31Å; M510-W561 HydrophobicContact CG-CD2 4.41Å; M510-W561 HydrophobicContact CG-CE3 3.89Å; M510-W561 HydrophobicContact CG-CH2 4.02Å; M510-W561 HydrophobicContact CG-CZ2 4.5Å; M510-W561 HydrophobicContact CG-CZ3 3.67Å; M510-W561 HydrophobicContact SD-CD2 3.97Å; M510-W561 HydrophobicContact SD-CE3 4.04Å; M510-W561 HydrophobicContact SD-CH2 3.89Å; M510-W561 HydrophobicContact SD-CZ2 3.78Å; M510-W561 HydrophobicContact SD-CZ3 4Å; L532-W561 HydrophobicContact CB-CB 4.38Å; L532-W561 HydrophobicContact CB-CD2 4.48Å; L532-W561 HydrophobicContact CB-CE3 3.8Å; L532-W561 HydrophobicContact CD2-CB 4.17Å; L532-W561 WeakPolarHBondContact O-CZ3 3.48Å; I533-W561 WeakPolarHBondContact O-CA 3.15Å; S534-W561 VanDerWaalsContact CB-CD2 3.48Å; S534-W561 VanDerWaalsContact CB-CE3 3.48Å; F553-W561 CarbonylContact C-O 3.54Å; F553-W561 WeakPolarHBondContact CA-O 3.46Å; V554-W561 HydrophobicContact CG2-CB 4.18Å; V554-W561 PolarHBondContact N-O 3.34Å; V554-W561 PolarHBondContact O-N 2.88Å; I556-W561 HydrophobicContact CD1-CB 4.43Å; I556-W561 HydrophobicContact CD1-CG 4.37Å
562F98.3Very high95.5Very high5 Ų542.1 Ų42.12%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-81.8122.2170174.6-117.5000109.8L480 E482 T483 L532 I533 V538 D552 F553 T564L480-F562 HydrophobicContact CB-CE1 4.47Å; L480-F562 HydrophobicContact CD1-CE1 4.23Å; L480-F562 HydrophobicContact CD2-CE1 4.19Å; E482-F562 HydrophobicContact CB-CD1 3.97Å; E482-F562 HydrophobicContact CB-CD2 4.04Å; E482-F562 HydrophobicContact CB-CE1 3.54Å; E482-F562 HydrophobicContact CB-CE2 3.63Å; E482-F562 HydrophobicContact CB-CG 4.2Å; E482-F562 HydrophobicContact CB-CZ 3.37Å; E482-F562 HydrophobicContact CG-CD2 4.39Å; E482-F562 HydrophobicContact CG-CE1 4.23Å; E482-F562 HydrophobicContact CG-CE2 3.63Å; E482-F562 HydrophobicContact CG-CZ 3.54Å; T483-F562 HydrophobicContact CG2-CD1 3.75Å; T483-F562 HydrophobicContact CG2-CE1 4.29Å; L532-F562 VanDerWaalsContact CA-O 3.32Å; L532-F562 WeakPolarHBondContact CA-O 3.37Å; I533-F562 PolarHBondContact N-O 3.18Å; I533-F562 PolarHBondContact O-N 2.83Å; V538-F562 HydrophobicContact CG1-CB 3.8Å; D552-F562 HydrophobicContact CB-CD2 4.33Å; D552-F562 HydrophobicContact CB-CE2 4.05Å; D552-F562 CarbonylContact O-C 3.59Å; D552-F562 WeakPolarHBondContact O-CA 3.17Å; F553-F562 HydrophobicContact CD1-CB 4.15Å; F553-F562 HydrophobicContact CD1-CD2 4.11Å; F553-F562 HydrophobicContact CD2-CD2 4.27Å; F553-F562 HydrophobicContact CE1-CB 4.07Å; F553-F562 AromaticContact CE1-CD2 3.71Å; F553-F562 HydrophobicContact CE1-CD2 3.71Å; F553-F562 HydrophobicContact CE1-CG 4.15Å; F553-F562 AromaticContact CE2-CD2 3.87Å; F553-F562 HydrophobicContact CE2-CD2 3.87Å; F553-F562 HydrophobicContact CE2-CE2 4.13Å; F553-F562 HydrophobicContact CG-CD2 4.38Å; F553-F562 AromaticContact CZ-CD2 3.57Å; F553-F562 HydrophobicContact CZ-CD2 3.57Å; F553-F562 AromaticContact CZ-CE2 4Å; F553-F562 HydrophobicContact CZ-CE2 4Å; F553-F562 HydrophobicContact CZ-CG 4.37Å; F562-T564 HydrophobicContact CD1-CG2 3.81Å; F562-T564 HydrophobicContact CE1-CG2 3.86Å; F562-T564 PolarHBondContact O-N 2.95Å
563C97.5Very high95.4Very high10 Ų1041.9 Ų41.97%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-83.4104.3174.8-58.30000108.9R512 D552 V554 G565R512-C563 PolarHBondContact NH2-SG 3Å; D552-C563 PolarHBondContact O-N 3.43Å; V554-C563 VanDerWaalsContact CG2-SG 3.52Å; C563-G565 PolarHBondContact O-N 3.47Å
564T95.6Very high95.3Very high14 Ų1441 Ų419%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-73.3-18.5-168.672.60000113.4Y478 L480 I531 I533 F562 D566Y478-T564 VanDerWaalsContact OH-CB 3.31Å; Y478-T564 WeakPolarHBondContact OH-CB 3.46Å; Y478-T564 WeakPolarHBondContact OH-CG2 3.5Å; Y478-T564 PolarHBondContact OH-OG1 3.5Å; Y478-T564 VanDerWaalsContact OH-OG1 3.07Å; L480-T564 HydrophobicContact CD1-CG2 3.96Å; I531-T564 HydrophobicContact CB-CG2 4.37Å; I531-T564 HydrophobicContact CG2-CG2 4.11Å; I531-T564 WeakPolarHBondContact O-CG2 3.31Å; I531-T564 PolarHBondContact O-N 2.95Å; I531-T564 VanDerWaalsContact O-N 3.14Å; I531-T564 PolarHBondContact O-OG1 3.21Å; I531-T564 VanDerWaalsContact O-OG1 3.08Å; I533-T564 HydrophobicContact CD1-CG2 3.97Å; I533-T564 HydrophobicContact CG1-CG2 3.98Å; F562-T564 HydrophobicContact CD1-CG2 3.81Å; F562-T564 HydrophobicContact CE1-CG2 3.86Å; F562-T564 PolarHBondContact O-N 2.95Å; T564-D566 PolarHBondContact O-N 3.06Å; T564-D566 WeakPolarHBondContact OG1-CB 3.32Å; T564-D566 PolarHBondContact OG1-N 3.01Å; T564-D566 VanDerWaalsContact OG1-N 3.09Å
565G93.5Very high95.2Very high23 Ų2339.5 Ų39.524%0.23722%0.224CC..EExtended strand (participates in β ladder)trans72.67.7-170.500000113.8C563 K582C563-G565 PolarHBondContact O-N 3.47Å; G565-K582 WeakPolarHBondContact O-CB 3.46Å; G565-K582 PolarHBondContact O-N 3.31Å
566D94.8Very high95.3Very high8 Ų831.8 Ų31.84%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-108.4144.9-179.7-59.4-39.7000110.7Y478 E530 I531 T564 R581Y478-D566 HydrophobicContact CE2-CB 4.48Å; Y478-D566 WeakPolarHBondContact CE2-OD2 3.5Å; Y478-D566 PolarHBondContact OH-OD2 3.04Å; E530-D566 CarbonylContact C-O 3.56Å; E530-D566 WeakPolarHBondContact CA-O 3.36Å; I531-D566 HydrophobicContact CD1-CB 4.16Å; I531-D566 PolarHBondContact N-O 3.05Å; T564-D566 PolarHBondContact O-N 3.06Å; T564-D566 WeakPolarHBondContact OG1-CB 3.32Å; T564-D566 PolarHBondContact OG1-N 3.01Å; T564-D566 VanDerWaalsContact OG1-N 3.09Å; D566-R581 WeakPolarHBondContact OD1-CG 3.2Å; D566-R581 IonicContact OD1-NE 3.73Å; D566-R581 PolarHBondContact OD1-NE 2.97Å
567I94.8Very high95.2Very high0 Ų031.7 Ų31.70%019%0.187CC..EExtended strand (participates in β ladder)trans-96.8131.2177.7-58.4-54.9000109.7W514 Y519 G529 E530 I579 D580 K582 L585W514-I567 HydrophobicContact CB-CD1 4.21Å; W514-I567 HydrophobicContact CD2-CD1 4.24Å; W514-I567 HydrophobicContact CE3-CD1 3.65Å; W514-I567 HydrophobicContact CE3-CG1 3.89Å; W514-I567 HydrophobicContact CG-CD1 4.49Å; W514-I567 HydrophobicContact CZ3-CD1 4.43Å; W514-I567 HydrophobicContact CZ3-CG1 4.21Å; Y519-I567 HydrophobicContact CD1-CG2 3.76Å; Y519-I567 HydrophobicContact CD2-CG2 4.18Å; Y519-I567 HydrophobicContact CE1-CG2 4.17Å; Y519-I567 HydrophobicContact CG-CG2 3.75Å; G529-I567 CarbonylContact O-C 3.46Å; G529-I567 WeakPolarHBondContact O-CA 3.36Å; E530-I567 HydrophobicContact CB-CD1 4.12Å; I567-I579 HydrophobicContact CB-CB 4.29Å; I567-I579 HydrophobicContact CG2-CB 4.04Å; I567-I579 HydrophobicContact CG2-CD1 3.93Å; I567-I579 HydrophobicContact CG2-CG1 4.42Å; I567-I579 HydrophobicContact CG2-CG2 4.48Å; I567-I579 PolarHBondContact O-N 2.99Å; I567-D580 PolarHBondContact N-O 2.69Å; I567-K582 HydrophobicContact CD1-CD 3.93Å; I567-K582 HydrophobicContact CD1-CG 3.44Å; I567-K582 VanDerWaalsContact CD1-CG 3.44Å; I567-K582 HydrophobicContact CG1-CG 3.77Å; I567-L585 HydrophobicContact CB-CD1 4.28Å; I567-L585 HydrophobicContact CG1-CD1 3.73Å
568G95.7Very high95.3Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-124.2162.8-178.800000113.6Q528 G529 K577Q528-G568 VanDerWaalsContact CA-O 3.23Å; Q528-G568 WeakPolarHBondContact CA-O 3.13Å; G529-G568 PolarHBondContact N-O 3.04Å; G529-G568 VanDerWaalsContact N-O 3.12Å; G529-G568 PolarHBondContact O-N 3.19Å; G568-K577 CarbonylContact C-O 3.59Å; G568-K577 VanDerWaalsContact CA-O 3.27Å; G568-K577 WeakPolarHBondContact CA-O 3.36Å
569E94.9Very high95.2Very high11 Ų1125.4 Ų25.45%0.05114%0.137CC..EExtended strand (participates in β ladder)trans-133122176.217817578.300109Y526 P527 Q528 H571 K577 I579Y526-E569 HydrophobicContact CD2-CG 4.13Å; Y526-E569 HydrophobicContact CG-CG 4.32Å; P527-E569 WeakPolarHBondContact O-CA 3.39Å; Q528-E569 HydrophobicContact CG-CB 4.05Å; Q528-E569 HydrophobicContact CG-CG 4.09Å; Q528-E569 PolarHBondContact NE2-OE2 3.14Å; E569-H571 IonicContact OE1-CE1 2.85Å; E569-H571 IonicContact OE1-NE2 3.89Å; E569-K577 HydrophobicContact CB-CB 4.34Å; E569-K577 PolarHBondContact N-O 3.15Å; E569-K577 PolarHBondContact O-N 2.8Å; E569-K577 IonicContact OE1-NZ 2.87Å; E569-K577 PolarHBondContact OE1-NZ 2.71Å; E569-I579 HydrophobicContact CB-CD1 4.07Å; E569-I579 HydrophobicContact CB-CG1 4.33Å
570F95.9Very high94.7Very high2 Ų223.1 Ų23.11%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-90.3126176-86.2-63.2000111.6Y64 I509 L511 Y526 P527 L576Y64-F570 AromaticContact CD1-CD1 3.89Å; Y64-F570 HydrophobicContact CD1-CD1 3.89Å; Y64-F570 HydrophobicContact CD1-CD2 4.39Å; Y64-F570 HydrophobicContact CD1-CE1 4.01Å; Y64-F570 HydrophobicContact CD1-CG 4.1Å; Y64-F570 HydrophobicContact CD1-CZ 4.32Å; Y64-F570 AromaticContact CD2-CD2 3.65Å; Y64-F570 HydrophobicContact CD2-CD2 3.65Å; Y64-F570 HydrophobicContact CD2-CE1 4.46Å; Y64-F570 AromaticContact CD2-CE2 3.56Å; Y64-F570 HydrophobicContact CD2-CE2 3.56Å; Y64-F570 HydrophobicContact CD2-CG 4.17Å; Y64-F570 AromaticContact CD2-CZ 4Å; Y64-F570 HydrophobicContact CD2-CZ 4Å; Y64-F570 HydrophobicContact CE1-CB 4.16Å; Y64-F570 HydrophobicContact CE1-CD1 4.14Å; Y64-F570 HydrophobicContact CE1-CD2 4.43Å; Y64-F570 HydrophobicContact CE1-CG 4.01Å; Y64-F570 HydrophobicContact CE2-CB 4.45Å; Y64-F570 AromaticContact CE2-CD2 3.7Å; Y64-F570 HydrophobicContact CE2-CD2 3.7Å; Y64-F570 HydrophobicContact CE2-CE2 4.11Å; Y64-F570 HydrophobicContact CE2-CG 4.1Å; Y64-F570 HydrophobicContact CG-CD1 4.1Å; Y64-F570 HydrophobicContact CG-CD2 4.02Å; Y64-F570 AromaticContact CG-CE1 3.88Å; Y64-F570 HydrophobicContact CG-CE1 3.88Å; Y64-F570 AromaticContact CG-CE2 3.8Å; Y64-F570 HydrophobicContact CG-CE2 3.8Å; Y64-F570 HydrophobicContact CG-CG 4.18Å; Y64-F570 AromaticContact CG-CZ 3.73Å; Y64-F570 HydrophobicContact CG-CZ 3.73Å; I509-F570 HydrophobicContact CB-CZ 3.95Å; I509-F570 HydrophobicContact CG2-CE2 4.11Å; I509-F570 HydrophobicContact CG2-CZ 3.7Å; L511-F570 HydrophobicContact CD1-CD2 3.63Å; L511-F570 HydrophobicContact CD1-CE2 4.28Å; L511-F570 HydrophobicContact CD2-CD2 4.29Å; L511-F570 HydrophobicContact CD2-CE2 4.18Å; L511-F570 HydrophobicContact CG-CD2 3.76Å; L511-F570 HydrophobicContact CG-CE2 3.89Å; Y526-F570 WeakPolarHBondContact CB-O 3.33Å; P527-F570 HydrophobicContact CG-CB 4.05Å; P527-F570 PolarHBondContact O-N 2.83Å; P527-F570 VanDerWaalsContact O-N 3.16Å; F570-L576 HydrophobicContact CD1-CB 4.31Å; F570-L576 HydrophobicContact CD1-CD1 4.07Å; F570-L576 HydrophobicContact CD2-CD1 4.35Å; F570-L576 HydrophobicContact CE1-CB 4Å; F570-L576 HydrophobicContact CE1-CD1 3.93Å; F570-L576 HydrophobicContact CE2-CD1 4.21Å; F570-L576 HydrophobicContact CG-CD1 4.26Å; F570-L576 HydrophobicContact CZ-CD1 3.99Å
571H94.8Very high94.1Very high29 Ų2923.5 Ų23.513%0.13412%0.123CC..  trans-86163.9175-75-93.1000112.3Y526 E569 D573 G574 A575Y526-H571 AromaticContact CD2-CE1 3.8Å; Y526-H571 AromaticContact CD2-ND1 3.84Å; Y526-H571 AromaticContact CE2-CE1 3.58Å; Y526-H571 AromaticContact CE2-ND1 3.52Å; Y526-H571 AromaticContact CZ-ND1 3.93Å; E569-H571 IonicContact OE1-CE1 2.85Å; E569-H571 IonicContact OE1-NE2 3.89Å; H571-D573 WeakPolarHBondContact CB-OD1 3.5Å; H571-D573 PolarHBondContact O-N 3.33Å; H571-D573 VanDerWaalsContact O-N 3.08Å; H571-G574 WeakPolarHBondContact O-CA 3.21Å; H571-G574 PolarHBondContact O-N 3.13Å; H571-A575 PolarHBondContact N-O 2.8Å
572P93.3Very high93.5Very high100 Ų10025.3 Ų25.365%0.64913%0.131SC*.THydrogen-bonded Turntrans-59.3-22.4-178.5-26.935.9000115.5Y526 G574Y526-P572 HydrophobicContact CD1-CG 4.26Å; Y526-P572 HydrophobicContact CE1-CG 3.73Å; P572-G574 VanDerWaalsContact C-N 3.27Å
573D94.8Very high92.7Very high18 Ų1831.7 Ų31.710%0.09616%0.159CC..THydrogen-bonded Turntrans-85.63.5174.169.4-18.5000113.1K51 A52 R499 H571 A575K51-D573 PolarHBondContact N-O 2.9Å; K51-D573 IonicContact NZ-OD2 3.2Å; K51-D573 PolarHBondContact NZ-OD2 2.76Å; A52-D573 PolarHBondContact N-O 3.44Å; R499-D573 IonicContact CZ-OD1 2.76Å; R499-D573 IonicContact CZ-OD2 3.91Å; R499-D573 IonicContact NH1-OD1 3.72Å; R499-D573 PolarHBondContact NH1-OD1 3.03Å; R499-D573 IonicContact NH1-OD2 3.73Å; R499-D573 PolarHBondContact NH1-OD2 2.74Å; R499-D573 IonicContact NH2-OD2 2.74Å; R499-D573 PolarHBondContact NH2-OD2 2.94Å; H571-D573 WeakPolarHBondContact CB-OD1 3.5Å; H571-D573 PolarHBondContact O-N 3.33Å; H571-D573 VanDerWaalsContact O-N 3.08Å; D573-A575 VanDerWaalsContact C-N 3.28Å; D573-A575 PolarHBondContact O-N 3.38Å; D573-A575 WeakPolarHBondContact OD1-CB 3.45Å; D573-A575 PolarHBondContact OD1-N 3.18Å; D573-A575 VanDerWaalsContact OD1-N 3.16Å
574G94.5Very high91.8Very high1 Ų132.3 Ų32.31%0.0116%0.162CC..SBendtrans78.15-178.100000114.7A52 H571 P572A52-G574 WeakPolarHBondContact O-CA 3.4Å; H571-G574 WeakPolarHBondContact O-CA 3.21Å; H571-G574 PolarHBondContact O-N 3.13Å; P572-G574 VanDerWaalsContact C-N 3.27Å
575A95.8Very high91.1Very high0 Ų032.2 Ų32.20%016%0.16CC..  trans-76137.717300000110.7H571 D573H571-A575 PolarHBondContact N-O 2.8Å; D573-A575 VanDerWaalsContact C-N 3.28Å; D573-A575 PolarHBondContact O-N 3.38Å; D573-A575 WeakPolarHBondContact OD1-CB 3.45Å; D573-A575 PolarHBondContact OD1-N 3.18Å; D573-A575 VanDerWaalsContact OD1-N 3.16Å
576L97Very high90.4Very high0 Ų032.5 Ų32.50%016%0.158CC..EExtended strand (participates in β ladder)trans-85.2143.2175.6-172.466.4000110.3Y478 T488 V500 G501 I509 I531 F570 I578Y478-L576 HydrophobicContact CD1-CD2 4.37Å; T488-L576 HydrophobicContact CG2-CB 4.12Å; T488-L576 HydrophobicContact CG2-CD2 3.9Å; V500-L576 HydrophobicContact CG2-CB 4.03Å; V500-L576 HydrophobicContact CG2-CD2 4.39Å; V500-L576 HydrophobicContact CG2-CG 4.27Å; V500-L576 WeakPolarHBondContact CG2-O 3.46Å; V500-L576 PolarHBondContact N-O 2.73Å; G501-L576 PolarHBondContact O-N 3.35Å; I509-L576 HydrophobicContact CD1-CD2 4.36Å; I531-L576 HydrophobicContact CD1-CD2 3.91Å; I531-L576 HydrophobicContact CG1-CD1 4.5Å; I531-L576 HydrophobicContact CG1-CD2 4.29Å; I531-L576 HydrophobicContact CG2-CD2 4.42Å; F570-L576 HydrophobicContact CD1-CB 4.31Å; F570-L576 HydrophobicContact CD1-CD1 4.07Å; F570-L576 HydrophobicContact CD2-CD1 4.35Å; F570-L576 HydrophobicContact CE1-CB 4Å; F570-L576 HydrophobicContact CE1-CD1 3.93Å; F570-L576 HydrophobicContact CE2-CD1 4.21Å; F570-L576 HydrophobicContact CG-CD1 4.26Å; F570-L576 HydrophobicContact CZ-CD1 3.99Å; L576-I578 HydrophobicContact CD2-CD1 3.9Å; L576-I578 HydrophobicContact CG-CD1 4.22Å
577K94.7Very high89.6Confident70 Ų7036.9 Ų36.930%0.30418%0.176SC..EExtended strand (participates in β ladder)trans-119.9131.7166.6169.8174.7156.7-142.80108.7G498 R499 G568 E569G498-K577 WeakPolarHBondContact O-CG 3.45Å; R499-K577 HydrophobicContact CG-CB 4.24Å; G568-K577 CarbonylContact C-O 3.59Å; G568-K577 VanDerWaalsContact CA-O 3.27Å; G568-K577 WeakPolarHBondContact CA-O 3.36Å; E569-K577 HydrophobicContact CB-CB 4.34Å; E569-K577 PolarHBondContact N-O 3.15Å; E569-K577 PolarHBondContact O-N 2.8Å; E569-K577 IonicContact OE1-NZ 2.87Å; E569-K577 PolarHBondContact OE1-NZ 2.71Å
578I94.1Very high88.9Confident44 Ų4437 Ų3723%0.22618%0.177CC..EExtended strand (participates in β ladder)trans-83.9127.9174.9-50.6-55.8000108.2Y478 V500 I531 L576Y478-I578 HydrophobicContact CD1-CD1 3.98Å; Y478-I578 HydrophobicContact CD2-CD1 3.64Å; Y478-I578 HydrophobicContact CD2-CG1 3.85Å; Y478-I578 HydrophobicContact CE1-CD1 4.12Å; Y478-I578 HydrophobicContact CE2-CD1 3.81Å; Y478-I578 HydrophobicContact CE2-CG1 4.33Å; Y478-I578 HydrophobicContact CG-CD1 3.72Å; Y478-I578 HydrophobicContact CG-CG1 4.13Å; V500-I578 HydrophobicContact CG1-CG1 4.07Å; V500-I578 HydrophobicContact CG2-CD1 4.02Å; V500-I578 HydrophobicContact CG2-CG1 3.91Å; I531-I578 HydrophobicContact CD1-CD1 3.47Å; I531-I578 VanDerWaalsContact CD1-CD1 3.47Å; L576-I578 HydrophobicContact CD2-CD1 3.9Å; L576-I578 HydrophobicContact CG-CD1 4.22Å
579I89.2Confident88Confident36 Ų3643 Ų4319%0.18521%0.205CC..EExtended strand (participates in β ladder)trans-85-64.7175.3-67.6176.7000108.7Y519 Q528 I567 E569Y519-I579 HydrophobicContact CD1-CD1 4.1Å; Y519-I579 HydrophobicContact CE1-CD1 3.88Å; Y519-I579 HydrophobicContact CE1-CG2 4.19Å; Q528-I579 HydrophobicContact CB-CD1 4.49Å; Q528-I579 HydrophobicContact CG-CD1 3.92Å; I567-I579 HydrophobicContact CB-CB 4.29Å; I567-I579 HydrophobicContact CG2-CB 4.04Å; I567-I579 HydrophobicContact CG2-CD1 3.93Å; I567-I579 HydrophobicContact CG2-CG1 4.42Å; I567-I579 HydrophobicContact CG2-CG2 4.48Å; I567-I579 PolarHBondContact O-N 2.99Å; E569-I579 HydrophobicContact CB-CD1 4.07Å; E569-I579 HydrophobicContact CB-CG1 4.33Å
580D84.3Confident87Confident4 Ų449.1 Ų49.12%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-170.8-178172.2-148.1-20.6000109.9I567 L585 S595 L596 S597I567-D580 PolarHBondContact N-O 2.69Å; D580-L585 HydrophobicContact CB-CD1 4.37Å; D580-L585 HydrophobicContact CB-CD2 3.86Å; D580-L585 HydrophobicContact CB-CG 3.9Å; D580-S595 VanDerWaalsContact CG-OG 3.28Å; D580-S595 WeakPolarHBondContact OD2-CA 3.49Å; D580-S595 WeakPolarHBondContact OD2-CB 3.44Å; D580-S595 PolarHBondContact OD2-OG 2.91Å; D580-L596 PolarHBondContact OD2-N 2.86Å; D580-S597 WeakPolarHBondContact OD1-CB 3.39Å; D580-S597 PolarHBondContact OD1-OG 3.31Å; D580-S597 PolarHBondContact OD2-N 3.48Å; D580-S597 PolarHBondContact OD2-OG 2.89Å
581R85.6Confident85.7Confident111 Ų11150.5 Ų50.542%0.41925%0.248SC..EExtended strand (participates in β ladder)trans-77143.1168.2-46.2-160.5138.9166.3-2.6110.5D566 K583 D584 L585D566-R581 WeakPolarHBondContact OD1-CG 3.2Å; D566-R581 IonicContact OD1-NE 3.73Å; D566-R581 PolarHBondContact OD1-NE 2.97Å; R581-K583 PolarHBondContact O-N 3.11Å; R581-K583 VanDerWaalsContact O-N 3.13Å; R581-D584 HydrophobicContact CB-CB 4.02Å; R581-D584 VanDerWaalsContact CD-OD2 3.32Å; R581-D584 WeakPolarHBondContact CD-OD2 2.94Å; R581-D584 WeakPolarHBondContact CG-OD2 3.34Å; R581-D584 CarbonylContact O-C 3.56Å; R581-D584 WeakPolarHBondContact O-CA 3.01Å; R581-D584 PolarHBondContact O-N 3.3Å; R581-L585 PolarHBondContact O-N 3.29Å
582K85.5Confident84.8Confident46 Ų4652.8 Ų52.820%0.226%0.259CS..G310 helixtrans-51-40.3173-81.1-168-84.8173.50112.5W514 E530 G565 I567 D584 L585W514-K582 HydrophobicContact CD2-CD 3.71Å; W514-K582 HydrophobicContact CD2-CG 3.88Å; W514-K582 HydrophobicContact CE3-CD 4.21Å; W514-K582 HydrophobicContact CE3-CG 3.88Å; W514-K582 HydrophobicContact CG-CD 3.82Å; W514-K582 HydrophobicContact CG-CG 4.47Å; W514-K582 HydrophobicContact CH2-CB 4.39Å; W514-K582 HydrophobicContact CH2-CG 4.33Å; W514-K582 HydrophobicContact CZ2-CB 4.38Å; W514-K582 HydrophobicContact CZ2-CD 4.5Å; W514-K582 HydrophobicContact CZ2-CG 4.32Å; W514-K582 HydrophobicContact CZ3-CG 4.12Å; E530-K582 VanDerWaalsContact OE1-CE 3.24Å; E530-K582 WeakPolarHBondContact OE1-CE 3.44Å; E530-K582 IonicContact OE1-NZ 3.31Å; E530-K582 PolarHBondContact OE1-NZ 2.66Å; E530-K582 IonicContact OE2-NZ 2.68Å; E530-K582 PolarHBondContact OE2-NZ 3.22Å; G565-K582 WeakPolarHBondContact O-CB 3.46Å; G565-K582 PolarHBondContact O-N 3.31Å; I567-K582 HydrophobicContact CD1-CD 3.93Å; I567-K582 HydrophobicContact CD1-CG 3.44Å; I567-K582 VanDerWaalsContact CD1-CG 3.44Å; I567-K582 HydrophobicContact CG1-CG 3.77Å; K582-D584 VanDerWaalsContact C-N 3.35Å; K582-L585 PolarHBondContact O-N 3.38Å
583K80.9Confident84.1Confident139 Ų13950.1 Ų50.160%0.60424%0.236SC*.G310 helixtrans-74.9-20.7178.8-62.6-175.3-179.6-177.80114.2T288 R581T288-K583 PolarHBondContact OG1-NZ 2.77Å; R581-K583 PolarHBondContact O-N 3.11Å; R581-K583 VanDerWaalsContact O-N 3.13Å
584D79.1Confident83.5Confident22 Ų2249.2 Ų49.212%0.11823%0.232CC..G310 helixtrans-96.1-3.7178.3-69.7-44.1000112R581 K582 V586 L596 R704R581-D584 HydrophobicContact CB-CB 4.02Å; R581-D584 VanDerWaalsContact CD-OD2 3.32Å; R581-D584 WeakPolarHBondContact CD-OD2 2.94Å; R581-D584 WeakPolarHBondContact CG-OD2 3.34Å; R581-D584 CarbonylContact O-C 3.56Å; R581-D584 WeakPolarHBondContact O-CA 3.01Å; R581-D584 PolarHBondContact O-N 3.3Å; K582-D584 VanDerWaalsContact C-N 3.35Å; D584-V586 PolarHBondContact O-N 2.71Å; D584-L596 HydrophobicContact CB-CB 4.48Å; D584-L596 HydrophobicContact CB-CD1 4.37Å; D584-L596 VanDerWaalsContact O-CG 3.29Å; D584-L596 WeakPolarHBondContact O-CG 3.28Å; D584-L596 PolarHBondContact O-N 2.84Å; D584-R704 IonicContact OD1-NE 2.92Å; D584-R704 PolarHBondContact OD1-NE 2.99Å
585L79.4Confident83Confident12 Ų1249.6 Ų49.66%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-85.5104.5170.5-73.5168.7000109.6W514 Y519 I567 D580 R581 K582 Y593W514-L585 HydrophobicContact CE3-CD1 4.44Å; W514-L585 HydrophobicContact CH2-CB 4.05Å; W514-L585 HydrophobicContact CH2-CD1 4.29Å; W514-L585 HydrophobicContact CZ3-CB 4.13Å; W514-L585 HydrophobicContact CZ3-CD1 3.55Å; W514-L585 HydrophobicContact CZ3-CG 4.46Å; Y519-L585 HydrophobicContact CE2-CD1 3.77Å; I567-L585 HydrophobicContact CB-CD1 4.28Å; I567-L585 HydrophobicContact CG1-CD1 3.73Å; D580-L585 HydrophobicContact CB-CD1 4.37Å; D580-L585 HydrophobicContact CB-CD2 3.86Å; D580-L585 HydrophobicContact CB-CG 3.9Å; R581-L585 PolarHBondContact O-N 3.29Å; K582-L585 PolarHBondContact O-N 3.38Å; L585-Y593 HydrophobicContact CB-CD1 4.12Å
586V79Confident82.7Confident30 Ų3049.9 Ų49.918%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-102.7124.1-178.5-1750000110D584 L588 V594 L596 C616D584-V586 PolarHBondContact O-N 2.71Å; V586-L588 PolarHBondContact O-N 3.48Å; V586-V594 PolarHBondContact N-O 3.28Å; V586-V594 PolarHBondContact O-N 3.47Å; V586-L596 HydrophobicContact CG2-CD1 4.12Å; V586-L596 HydrophobicContact CG2-CD2 4.45Å; V586-L596 HydrophobicContact CG2-CG 4.26Å; V586-C616 HydrophobicContact CB-CB 3.66Å; V586-C616 HydrophobicContact CG1-CB 3.58Å; V586-C616 HydrophobicContact CG2-CB 3.93Å
587K78.8Confident82Confident99 Ų9950.6 Ų50.643%0.4324%0.241SC..EExtended strand (participates in β ladder)trans-76.1117.7171.8-164.8173.5-171.41650109.8G591 Y593 S618K587-G591 VanDerWaalsContact CE-CA 3.47Å; K587-G591 WeakPolarHBondContact CE-O 3.32Å; K587-Y593 HydrophobicContact CB-CD1 4.05Å; K587-Y593 HydrophobicContact CB-CE1 3.67Å; K587-Y593 HydrophobicContact CB-CE2 4.36Å; K587-Y593 HydrophobicContact CD-CE2 4Å; K587-Y593 HydrophobicContact CG-CD2 4.47Å; K587-Y593 HydrophobicContact CG-CE1 4.33Å; K587-Y593 HydrophobicContact CG-CE2 4.12Å; K587-S618 WeakPolarHBondContact O-CA 3.32Å; K587-S618 VanDerWaalsContact O-CB 3.31Å; K587-S618 WeakPolarHBondContact O-CB 3.4Å
588L80.3Confident81.4Confident4 Ų452 Ų522%0.02125%0.246CC..PPolyproline II helixtrans-72.5166.4170.8-65.1-177.6000110.8V586 H590 G591 E592 V594 V623 F676V586-L588 PolarHBondContact O-N 3.48Å; L588-H590 PolarHBondContact O-N 3.18Å; L588-G591 PolarHBondContact O-N 2.93Å; L588-E592 PolarHBondContact N-O 3.29Å; L588-V594 HydrophobicContact CD1-CG2 3.56Å; L588-V594 HydrophobicContact CD2-CG2 4.42Å; L588-V594 HydrophobicContact CG-CG2 3.7Å; L588-V623 HydrophobicContact CD1-CG2 4.48Å; L588-V623 HydrophobicContact CD2-CG2 4.47Å; L588-F676 HydrophobicContact CD1-CD2 4.41Å
589Q76Confident81.1Confident125 Ų12549.9 Ų49.958%0.58424%0.236SC*.THydrogen-bonded Turntrans-53.9-31.3-179-170.9-177.510.800114.2G591 H620Q589-G591 PolarHBondContact O-N 3.39Å; Q589-H620 PolarHBondContact N-O 2.83Å; Q589-H620 VanDerWaalsContact N-O 3.1Å
590H74.5Confident81Confident139 Ų13948.8 Ų48.864%0.64423%0.23SC*.THydrogen-bonded Turntrans-81.10.6178-66104.6000114L588 S621L588-H590 PolarHBondContact O-N 3.18Å; H590-S621 WeakPolarHBondContact CE1-CB 3.35Å; H590-S621 WeakPolarHBondContact ND1-CB 3.39Å
591G68.6Low81Confident31 Ų3149.4 Ų49.432%0.3223%0.234SC..SBendtrans91.3-6.717900000115K587 L588 Q589K587-G591 VanDerWaalsContact CE-CA 3.47Å; K587-G591 WeakPolarHBondContact CE-O 3.32Å; L588-G591 PolarHBondContact O-N 2.93Å; Q589-G591 PolarHBondContact O-N 3.39Å
592E74.3Confident80.9Confident77 Ų7744.6 Ų44.636%0.3622%0.218SC..  trans-69.8129.7176-63.2167.5146.700110.6L588 F676L588-E592 PolarHBondContact N-O 3.29Å; E592-F676 HydrophobicContact CB-CD2 4.24Å; E592-F676 HydrophobicContact CB-CE2 4.19Å; E592-F676 WeakPolarHBondContact OE2-CB 3.39Å; E592-F676 WeakPolarHBondContact OE2-CG 3.15Å
593Y79.4Confident81Confident44 Ų4442.4 Ų42.417%0.17321%0.208CC..EExtended strand (participates in β ladder)trans-82.9134.8170.4-80.5-85.7000111W514 E516 L585 K587W514-Y593 HydrophobicContact CH2-CE1 4.27Å; E516-Y593 WeakPolarHBondContact O-CE2 3.25Å; E516-Y593 VanDerWaalsContact O-CZ 3.3Å; E516-Y593 PolarHBondContact O-OH 3.01Å; L585-Y593 HydrophobicContact CB-CD1 4.12Å; K587-Y593 HydrophobicContact CB-CD1 4.05Å; K587-Y593 HydrophobicContact CB-CE1 3.67Å; K587-Y593 HydrophobicContact CB-CE2 4.36Å; K587-Y593 HydrophobicContact CD-CE2 4Å; K587-Y593 HydrophobicContact CG-CD2 4.47Å; K587-Y593 HydrophobicContact CG-CE1 4.33Å; K587-Y593 HydrophobicContact CG-CE2 4.12Å
594V82.4Confident81.2Confident0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-118.1127.6178.8175.50000109.6V586 L588 I599 V623 F676V586-V594 PolarHBondContact N-O 3.28Å; V586-V594 PolarHBondContact O-N 3.47Å; L588-V594 HydrophobicContact CD1-CG2 3.56Å; L588-V594 HydrophobicContact CD2-CG2 4.42Å; L588-V594 HydrophobicContact CG-CG2 3.7Å; V594-I599 HydrophobicContact CG1-CD1 3.14Å; V594-I599 HydrophobicContact CG1-CG1 4.19Å; V594-V623 HydrophobicContact CG1-CG2 4.18Å; V594-F676 HydrophobicContact CG2-CD2 3.82Å; V594-F676 HydrophobicContact CG2-CE2 3.97Å
595S85Confident81.3Confident8 Ų836.6 Ų36.66%0.05618%0.184CC..EExtended strand (participates in β ladder)trans-81.5110.7170.4163.10000110D580 S597 K598 I599D580-S595 VanDerWaalsContact CG-OG 3.28Å; D580-S595 WeakPolarHBondContact OD2-CA 3.49Å; D580-S595 WeakPolarHBondContact OD2-CB 3.44Å; D580-S595 PolarHBondContact OD2-OG 2.91Å; S595-S597 VanDerWaalsContact C-N 3.28Å; S595-S597 PolarHBondContact O-N 2.97Å; S595-K598 PolarHBondContact O-N 3.43Å; S595-K598 WeakPolarHBondContact OG-CB 3.46Å; S595-K598 PolarHBondContact OG-N 2.98Å; S595-I599 WeakPolarHBondContact O-CG1 3.18Å; S595-I599 PolarHBondContact O-N 3.45Å
596L87.6Confident81.4Confident6 Ų636 Ų363%0.03118%0.181CC..Hα-helixtrans-58.7-44.7175.1-64.5177.3000110.6D580 D584 V586 K598 I599 E600 V614 C616D580-L596 PolarHBondContact OD2-N 2.86Å; D584-L596 HydrophobicContact CB-CB 4.48Å; D584-L596 HydrophobicContact CB-CD1 4.37Å; D584-L596 VanDerWaalsContact O-CG 3.29Å; D584-L596 WeakPolarHBondContact O-CG 3.28Å; D584-L596 PolarHBondContact O-N 2.84Å; V586-L596 HydrophobicContact CG2-CD1 4.12Å; V586-L596 HydrophobicContact CG2-CD2 4.45Å; V586-L596 HydrophobicContact CG2-CG 4.26Å; L596-K598 PolarHBondContact O-N 3.31Å; L596-I599 PolarHBondContact O-N 2.9Å; L596-E600 VanDerWaalsContact O-CG 3.3Å; L596-E600 WeakPolarHBondContact O-CG 3.41Å; L596-E600 PolarHBondContact O-N 2.85Å; L596-V614 HydrophobicContact CD2-CB 4.14Å; L596-V614 HydrophobicContact CD2-CG1 3.65Å; L596-C616 HydrophobicContact CD2-CB 3.86Å; L596-C616 WeakPolarHBondContact CD2-SG 3.2Å
597S82.3Confident81.4Confident16 Ų1635 Ų3511%0.11218%0.175CC..Hα-helixtrans-64.4-39.9-176.1-56.50000112D580 S595 E600 T601D580-S597 WeakPolarHBondContact OD1-CB 3.39Å; D580-S597 PolarHBondContact OD1-OG 3.31Å; D580-S597 PolarHBondContact OD2-N 3.48Å; D580-S597 PolarHBondContact OD2-OG 2.89Å; S595-S597 VanDerWaalsContact C-N 3.28Å; S595-S597 PolarHBondContact O-N 2.97Å; S597-E600 PolarHBondContact O-N 3.28Å; S597-T601 WeakPolarHBondContact O-CB 3.38Å; S597-T601 PolarHBondContact O-N 2.87Å; S597-T601 PolarHBondContact O-OG1 2.86Å
598K82.9Confident81.6Confident98 Ų9830.5 Ų30.543%0.42616%0.156SC..Hα-helixtrans-60.7-47.3176.2179-173.4173.2-163.30111.4S595 L596 A602 L673 E677S595-K598 PolarHBondContact O-N 3.43Å; S595-K598 WeakPolarHBondContact OG-CB 3.46Å; S595-K598 PolarHBondContact OG-N 2.98Å; L596-K598 PolarHBondContact O-N 3.31Å; K598-A602 WeakPolarHBondContact O-CB 3.3Å; K598-A602 PolarHBondContact O-N 3.48Å; K598-L673 HydrophobicContact CG-CD2 4.24Å; K598-E677 WeakPolarHBondContact CD-OE1 3.41Å; K598-E677 WeakPolarHBondContact CE-OE1 3.27Å; K598-E677 IonicContact NZ-OE1 2.62Å; K598-E677 PolarHBondContact NZ-OE1 3.27Å; K598-E677 IonicContact NZ-OE2 3.37Å; K598-E677 PolarHBondContact NZ-OE2 3.31Å
599I87.6Confident81.9Confident0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-63.2-47.9179.6-61.6176.5000110.1V594 S595 L596 T601 A602 I603 V614 V623 L673 E677 P679V594-I599 HydrophobicContact CG1-CD1 3.14Å; V594-I599 HydrophobicContact CG1-CG1 4.19Å; S595-I599 WeakPolarHBondContact O-CG1 3.18Å; S595-I599 PolarHBondContact O-N 3.45Å; L596-I599 PolarHBondContact O-N 2.9Å; I599-T601 PolarHBondContact O-N 3.03Å; I599-A602 PolarHBondContact O-N 3.44Å; I599-I603 HydrophobicContact CG2-CD1 3.58Å; I599-I603 HydrophobicContact CG2-CG1 4.34Å; I599-I603 WeakPolarHBondContact O-CB 3.41Å; I599-I603 VanDerWaalsContact O-CG1 3.26Å; I599-I603 WeakPolarHBondContact O-CG1 3.18Å; I599-I603 PolarHBondContact O-N 2.83Å; I599-V614 HydrophobicContact CB-CG1 4.38Å; I599-V614 HydrophobicContact CB-CG2 3.97Å; I599-V614 HydrophobicContact CD1-CG1 4.24Å; I599-V614 HydrophobicContact CG2-CB 4.45Å; I599-V614 HydrophobicContact CG2-CG1 4.16Å; I599-V614 HydrophobicContact CG2-CG2 3.48Å; I599-V614 VanDerWaalsContact CG2-CG2 3.48Å; I599-V623 HydrophobicContact CD1-CG1 4.14Å; I599-V623 HydrophobicContact CD1-CG2 4.13Å; I599-L673 HydrophobicContact CB-CD1 4.17Å; I599-L673 HydrophobicContact CG1-CD1 4.05Å; I599-L673 HydrophobicContact CG1-CD2 4.44Å; I599-L673 HydrophobicContact CG2-CD1 3.79Å; I599-E677 HydrophobicContact CD1-CB 3.97Å; I599-E677 WeakPolarHBondContact CD1-O 3.27Å; I599-E677 HydrophobicContact CG1-CB 4.04Å; I599-P679 HydrophobicContact CG2-CG 4.13Å
600E88.5Confident82.4Confident13 Ų1326.4 Ų26.46%0.06114%0.136CC..Hα-helixtrans-59.8-47.9179.8-72.4172.1167.100111.8L596 S597 A602 I603 L604 V612 C613 V614 R704L596-E600 VanDerWaalsContact O-CG 3.3Å; L596-E600 WeakPolarHBondContact O-CG 3.41Å; L596-E600 PolarHBondContact O-N 2.85Å; S597-E600 PolarHBondContact O-N 3.28Å; E600-A602 VanDerWaalsContact C-N 3.3Å; E600-A602 PolarHBondContact O-N 2.82Å; E600-I603 PolarHBondContact O-N 3.08Å; E600-L604 WeakPolarHBondContact O-CB 3.41Å; E600-L604 VanDerWaalsContact O-CG 3.27Å; E600-L604 WeakPolarHBondContact O-CG 3.45Å; E600-L604 PolarHBondContact O-N 3.48Å; E600-V612 HydrophobicContact CB-CG1 4.03Å; E600-V612 HydrophobicContact CG-CG1 4.13Å; E600-C613 WeakPolarHBondContact OE1-CA 3.44Å; E600-V614 HydrophobicContact CB-CG2 4.46Å; E600-V614 HydrophobicContact CG-CB 3.77Å; E600-V614 HydrophobicContact CG-CG2 3.37Å; E600-V614 PolarHBondContact OE1-N 2.71Å; E600-R704 VanDerWaalsContact CD-NH2 3.32Å; E600-R704 IonicContact OE1-CZ 3.36Å; E600-R704 IonicContact OE1-NH1 2.68Å; E600-R704 PolarHBondContact OE1-NH1 2.84Å; E600-R704 IonicContact OE1-NH2 3.22Å; E600-R704 PolarHBondContact OE1-NH2 3.46Å; E600-R704 IonicContact OE2-CZ 3.4Å; E600-R704 IonicContact OE2-NH1 3.44Å; E600-R704 IonicContact OE2-NH2 3.67Å; E600-R704 PolarHBondContact OE2-NH2 2.9Å
601T83.5Confident83.1Confident18 Ų1820.9 Ų20.911%0.1111%0.111CC..Hα-helixtrans-63.6-38.5-179.7-46.70000110.9S597 I599 T605S597-T601 WeakPolarHBondContact O-CB 3.38Å; S597-T601 PolarHBondContact O-N 2.87Å; S597-T601 PolarHBondContact O-OG1 2.86Å; I599-T601 PolarHBondContact O-N 3.03Å; T601-T605 WeakPolarHBondContact O-CG2 3.5Å
602A83.6Confident84.2Confident10 Ų1019.5 Ų19.58%0.08310%0.096CC..Hα-helixtrans-63.2-46.7174.100000111.7K598 I599 E600 L604 T605 K672 L673K598-A602 WeakPolarHBondContact O-CB 3.3Å; K598-A602 PolarHBondContact O-N 3.48Å; I599-A602 PolarHBondContact O-N 3.44Å; E600-A602 VanDerWaalsContact C-N 3.3Å; E600-A602 PolarHBondContact O-N 2.82Å; A602-L604 PolarHBondContact O-N 3.28Å; A602-T605 PolarHBondContact O-N 3.09Å; A602-T605 PolarHBondContact O-OG1 3.3Å; A602-K672 HydrophobicContact CB-CB 4.21Å; A602-K672 HydrophobicContact CB-CD 4.36Å; A602-L673 HydrophobicContact CB-CD1 4.29Å; A602-L673 HydrophobicContact CB-CD2 3.78Å; A602-L673 HydrophobicContact CB-CG 3.99Å
603I87.1Confident85.1Confident0 Ų015.9 Ų15.90%08%0.079CC..Hα-helixtrans-63.3-40.1178.8-70.5167.6000111.7I599 E600 T605 C606 V609 V612 V614 F665 V669 P679I599-I603 HydrophobicContact CG2-CD1 3.58Å; I599-I603 HydrophobicContact CG2-CG1 4.34Å; I599-I603 WeakPolarHBondContact O-CB 3.41Å; I599-I603 VanDerWaalsContact O-CG1 3.26Å; I599-I603 WeakPolarHBondContact O-CG1 3.18Å; I599-I603 PolarHBondContact O-N 2.83Å; E600-I603 PolarHBondContact O-N 3.08Å; I603-T605 PolarHBondContact O-N 2.91Å; I603-T605 VanDerWaalsContact O-N 3.11Å; I603-C606 WeakPolarHBondContact O-CB 3.35Å; I603-C606 PolarHBondContact O-N 3.43Å; I603-V609 HydrophobicContact CG2-CG1 4.16Å; I603-V609 HydrophobicContact CG2-CG2 3.97Å; I603-V612 HydrophobicContact CB-CG1 4.1Å; I603-V612 HydrophobicContact CB-CG2 4.48Å; I603-V612 HydrophobicContact CD1-CG2 4.01Å; I603-V612 HydrophobicContact CG2-CB 3.91Å; I603-V612 HydrophobicContact CG2-CG1 3.83Å; I603-V612 HydrophobicContact CG2-CG2 3.92Å; I603-V614 HydrophobicContact CD1-CG2 4.03Å; I603-F665 HydrophobicContact CB-CE2 4.31Å; I603-F665 HydrophobicContact CB-CZ 4.47Å; I603-F665 HydrophobicContact CD1-CE2 4.31Å; I603-F665 HydrophobicContact CD1-CZ 3.73Å; I603-F665 HydrophobicContact CG1-CE2 4.01Å; I603-F665 HydrophobicContact CG1-CZ 3.69Å; I603-F665 HydrophobicContact CG2-CD2 4.42Å; I603-F665 HydrophobicContact CG2-CE2 3.44Å; I603-F665 VanDerWaalsContact CG2-CE2 3.44Å; I603-F665 HydrophobicContact CG2-CZ 3.98Å; I603-V669 HydrophobicContact CG1-CG1 4.43Å; I603-V669 HydrophobicContact CG1-CG2 3.87Å; I603-P679 HydrophobicContact CD1-CG 3.82Å
604L86.1Confident85.7Confident34 Ų3413.8 Ų13.818%0.1787%0.071CC..Hα-helixtrans-61.5-20.1-179.2-77.4170.1000113.2K395 E600 A602 C606 V609 V612K395-L604 WeakPolarHBondContact CE-O 3.34Å; K395-L604 PolarHBondContact NZ-O 2.93Å; E600-L604 WeakPolarHBondContact O-CB 3.41Å; E600-L604 VanDerWaalsContact O-CG 3.27Å; E600-L604 WeakPolarHBondContact O-CG 3.45Å; E600-L604 PolarHBondContact O-N 3.48Å; A602-L604 PolarHBondContact O-N 3.28Å; L604-C606 PolarHBondContact O-N 3.41Å; L604-V609 HydrophobicContact CD2-CG1 4.2Å; L604-V612 HydrophobicContact CD1-CG1 4.48Å; L604-V612 HydrophobicContact CD2-CG1 3.97Å; L604-V612 HydrophobicContact CG-CG1 3.78Å
605T80.6Confident86Confident4 Ų413.9 Ų13.93%0.0257%0.071CC..THydrogen-bonded Turntrans-69.8-12.8172.970.40000113.8T601 A602 I603 P607 K672T601-T605 WeakPolarHBondContact O-CG2 3.5Å; A602-T605 PolarHBondContact O-N 3.09Å; A602-T605 PolarHBondContact O-OG1 3.3Å; I603-T605 PolarHBondContact O-N 2.91Å; I603-T605 VanDerWaalsContact O-N 3.11Å; T605-P607 WeakPolarHBondContact O-CD 3.41Å; T605-K672 PolarHBondContact OG1-NZ 3.44Å
606C80.8Confident86Confident0 Ų014 Ų140%07%0.072CC..SBendtrans-73.7123.2174.7-177.30000111.2I603 L604 L608 V609 I668I603-C606 WeakPolarHBondContact O-CB 3.35Å; I603-C606 PolarHBondContact O-N 3.43Å; L604-C606 PolarHBondContact O-N 3.41Å; C606-L608 PolarHBondContact O-N 2.94Å; C606-V609 HydrophobicContact CB-CB 4.41Å; C606-V609 HydrophobicContact CB-CG2 3.93Å; C606-V609 PolarHBondContact O-N 3.42Å; C606-I668 HydrophobicContact CB-CD1 4.19Å; C606-I668 HydrophobicContact CB-CG2 4.45Å
607P79.5Confident85.7Confident10 Ų1015.1 Ų15.17%0.0658%0.08CC..THydrogen-bonded Turntrans-62.6-17.5-179.9-23.333.6000114.9T605 V609 N633T605-P607 WeakPolarHBondContact O-CD 3.41Å; P607-V609 VanDerWaalsContact C-N 3.34Å; P607-N633 WeakPolarHBondContact O-CB 3.44Å; P607-N633 PolarHBondContact O-ND2 3.01Å
608L83.4Confident85.5Confident4 Ų417.5 Ų17.52%0.02110%0.097CC..THydrogen-bonded Turntrans-83.1-11.7178.9-55.4-177000112.9C606 P629 N630 N633 F637 F661 H664C606-L608 PolarHBondContact O-N 2.94Å; L608-P629 CarbonylContact O-C 3.58Å; L608-P629 WeakPolarHBondContact O-CA 3.48Å; L608-N630 PolarHBondContact O-N 3.39Å; L608-N633 HydrophobicContact CD2-CB 4.3Å; L608-F637 HydrophobicContact CD1-CD1 4.13Å; L608-F637 HydrophobicContact CD1-CE1 4.35Å; L608-F637 HydrophobicContact CD1-CG 4.28Å; L608-F637 HydrophobicContact CD2-CB 3.76Å; L608-F637 HydrophobicContact CD2-CD2 4.43Å; L608-F637 HydrophobicContact CD2-CG 4.03Å; L608-F661 HydrophobicContact CB-CD2 3.96Å; L608-F661 HydrophobicContact CB-CE2 3.75Å; L608-F661 HydrophobicContact CD1-CD2 4.16Å; L608-H664 HydrophobicContact CD1-CB 4.09Å
609V86.2Confident85.4Confident0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-101.3128.5-177.4177.10000109K395 I603 L604 C606 P607 F611 V612 V627 F661 F665K395-V609 VanDerWaalsContact CE-O 3.28Å; K395-V609 WeakPolarHBondContact CE-O 3.05Å; K395-V609 PolarHBondContact NZ-O 3.42Å; I603-V609 HydrophobicContact CG2-CG1 4.16Å; I603-V609 HydrophobicContact CG2-CG2 3.97Å; L604-V609 HydrophobicContact CD2-CG1 4.2Å; C606-V609 HydrophobicContact CB-CB 4.41Å; C606-V609 HydrophobicContact CB-CG2 3.93Å; C606-V609 PolarHBondContact O-N 3.42Å; P607-V609 VanDerWaalsContact C-N 3.34Å; V609-F611 WeakPolarHBondContact CG1-O 3.31Å; V609-V612 HydrophobicContact CG1-CB 4.2Å; V609-V627 HydrophobicContact CB-CG1 4.48Å; V609-V627 HydrophobicContact CG1-CG1 4.17Å; V609-V627 HydrophobicContact CG2-CG1 3.94Å; V609-F661 HydrophobicContact CG2-CE2 4.06Å; V609-F661 HydrophobicContact CG2-CZ 3.77Å; V609-F665 HydrophobicContact CG2-CD2 4.33Å; V609-F665 HydrophobicContact CG2-CE2 4.38Å
610E86.4Confident85.2Confident43 Ų4324 Ų2420%0.20112%0.122CC..EExtended strand (participates in β ladder)trans-87.6-59.6167.4-170.568-165.200109.4R392 K395 V628 N630R392-E610 IonicContact NH2-OE1 3.48Å; K395-E610 PolarHBondContact NZ-O 2.88Å; E610-V628 WeakPolarHBondContact CA-O 3.17Å; E610-V628 HydrophobicContact CB-CB 4.48Å; E610-V628 HydrophobicContact CB-CG1 4.19Å; E610-V628 WeakPolarHBondContact CB-O 3.39Å; E610-V628 PolarHBondContact N-O 3.42Å; E610-N630 HydrophobicContact CB-CB 4.44Å; E610-N630 PolarHBondContact OE2-ND2 2.96Å
611F90Very high85Confident23 Ų2325.4 Ų25.410%0.10113%0.133CC..EExtended strand (participates in β ladder)trans-130.6156.8175.1-60.5-75.4000110.6V609 V628 W689 L696V609-F611 WeakPolarHBondContact CG1-O 3.31Å; F611-V628 HydrophobicContact CB-CB 4.04Å; F611-V628 HydrophobicContact CB-CG2 4.08Å; F611-V628 HydrophobicContact CD2-CB 4.38Å; F611-V628 HydrophobicContact CD2-CG1 4.45Å; F611-V628 PolarHBondContact N-O 3.34Å; F611-V628 PolarHBondContact O-N 3.41Å; F611-W689 HydrophobicContact CB-CE3 3.78Å; F611-W689 HydrophobicContact CB-CZ3 4.21Å; F611-W689 HydrophobicContact CD2-CB 4.06Å; F611-W689 HydrophobicContact CE2-CB 4.44Å; F611-W689 WeakPolarHBondContact CE2-O 3.42Å; F611-W689 HydrophobicContact CG-CE3 4.41Å; F611-L696 HydrophobicContact CD1-CD1 4.08Å; F611-L696 HydrophobicContact CD1-CD2 4.27Å; F611-L696 HydrophobicContact CD2-CD1 4.41Å; F611-L696 HydrophobicContact CE1-CD1 3.48Å; F611-L696 VanDerWaalsContact CE1-CD1 3.48Å; F611-L696 HydrophobicContact CE1-CD2 4.34Å; F611-L696 HydrophobicContact CE2-CD1 3.85Å; F611-L696 HydrophobicContact CZ-CD1 3.35Å
612V91.2Very high85.2Confident2 Ų225.6 Ų25.61%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-140.9139.3172.857.60000108.9E600 I603 L604 V609 V614 A625 L626 V627 L702E600-V612 HydrophobicContact CB-CG1 4.03Å; E600-V612 HydrophobicContact CG-CG1 4.13Å; I603-V612 HydrophobicContact CB-CG1 4.1Å; I603-V612 HydrophobicContact CB-CG2 4.48Å; I603-V612 HydrophobicContact CD1-CG2 4.01Å; I603-V612 HydrophobicContact CG2-CB 3.91Å; I603-V612 HydrophobicContact CG2-CG1 3.83Å; I603-V612 HydrophobicContact CG2-CG2 3.92Å; L604-V612 HydrophobicContact CD1-CG1 4.48Å; L604-V612 HydrophobicContact CD2-CG1 3.97Å; L604-V612 HydrophobicContact CG-CG1 3.78Å; V609-V612 HydrophobicContact CG1-CB 4.2Å; V612-V614 HydrophobicContact CG2-CG2 4.18Å; V612-A625 HydrophobicContact CG2-CB 4.11Å; V612-L626 CarbonylContact C-O 3.54Å; V612-L626 VanDerWaalsContact CA-O 3.27Å; V612-L626 WeakPolarHBondContact CA-O 3.5Å; V612-V627 HydrophobicContact CB-CG2 4.39Å; V612-V627 HydrophobicContact CG2-CG2 3.97Å; V612-L702 WeakPolarHBondContact O-CD1 3.37Å
613C92.5Very high85.4Confident0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-119.2116163.2-174.20000107.6E600 L626 W689 L702 I707E600-C613 WeakPolarHBondContact OE1-CA 3.44Å; C613-L626 HydrophobicContact CB-CB 4.43Å; C613-L626 PolarHBondContact N-O 2.96Å; C613-L626 PolarHBondContact O-N 2.95Å; C613-W689 HydrophobicContact CB-CH2 3.6Å; C613-W689 HydrophobicContact CB-CZ3 3.84Å; C613-L702 HydrophobicContact CB-CD1 4.36Å; C613-I707 HydrophobicContact CB-CD1 4.33Å; C613-I707 HydrophobicContact CB-CG2 4.06Å
614V91.9Very high85.6Confident0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-80.8137.5173.6176.80000108.5L596 I599 E600 I603 V612 V623L596-V614 HydrophobicContact CD2-CB 4.14Å; L596-V614 HydrophobicContact CD2-CG1 3.65Å; I599-V614 HydrophobicContact CB-CG1 4.38Å; I599-V614 HydrophobicContact CB-CG2 3.97Å; I599-V614 HydrophobicContact CD1-CG1 4.24Å; I599-V614 HydrophobicContact CG2-CB 4.45Å; I599-V614 HydrophobicContact CG2-CG1 4.16Å; I599-V614 HydrophobicContact CG2-CG2 3.48Å; I599-V614 VanDerWaalsContact CG2-CG2 3.48Å; E600-V614 HydrophobicContact CB-CG2 4.46Å; E600-V614 HydrophobicContact CG-CB 3.77Å; E600-V614 HydrophobicContact CG-CG2 3.37Å; E600-V614 PolarHBondContact OE1-N 2.71Å; I603-V614 HydrophobicContact CD1-CG2 4.03Å; V612-V614 HydrophobicContact CG2-CG2 4.18Å; V614-V623 HydrophobicContact CG1-CG1 3.27Å
615I89.7Confident85.9Confident2 Ų223.5 Ų23.51%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-122124.2-178.3-53.3-77.5000106.6V624 L626 Y708 I715 Y719I615-V624 HydrophobicContact CB-CG2 3.66Å; I615-V624 HydrophobicContact CG1-CG2 4.4Å; I615-V624 HydrophobicContact CG2-CG2 3.95Å; I615-V624 PolarHBondContact N-O 3.09Å; I615-V624 PolarHBondContact O-N 2.92Å; I615-V624 VanDerWaalsContact O-O 3.09Å; I615-L626 HydrophobicContact CD1-CD1 4.36Å; I615-L626 HydrophobicContact CG1-CG 4.28Å; I615-Y708 HydrophobicContact CB-CE1 4.48Å; I615-Y708 HydrophobicContact CD1-CD1 3.87Å; I615-Y708 HydrophobicContact CD1-CD2 4.3Å; I615-Y708 HydrophobicContact CD1-CE1 3.37Å; I615-Y708 HydrophobicContact CD1-CE2 3.82Å; I615-Y708 HydrophobicContact CD1-CG 4.3Å; I615-Y708 HydrophobicContact CG1-CE1 4.42Å; I615-Y708 HydrophobicContact CG2-CE1 3.65Å; I615-Y708 WeakPolarHBondContact CG2-OH 3.45Å; I615-I715 HydrophobicContact CD1-CD1 3.72Å; I615-I715 HydrophobicContact CD1-CG1 4.23Å; I615-I715 HydrophobicContact CG1-CD1 4.35Å; I615-I715 HydrophobicContact CG1-CG1 4.32Å; I615-I715 HydrophobicContact CG2-CG2 3.84Å; I615-Y719 HydrophobicContact CG2-CE2 3.93Å; I615-Y719 PolarHBondContact O-OH 3.33Å
616C85.5Confident86.5Confident12 Ų1223.3 Ų23.38%0.08112%0.119CC..  trans-124.9150173.4-69.10000109.3V586 L596 Y719V586-C616 HydrophobicContact CB-CB 3.66Å; V586-C616 HydrophobicContact CG1-CB 3.58Å; V586-C616 HydrophobicContact CG2-CB 3.93Å; L596-C616 HydrophobicContact CD2-CB 3.86Å; L596-C616 WeakPolarHBondContact CD2-SG 3.2Å; C616-Y719 WeakPolarHBondContact CA-OH 3.39Å
617S81.2Confident87Confident28 Ų2823.3 Ų23.320%0.19612%0.119CC..  trans-138.9135.9174.8166.50000108.2Y619 H620 Y719S617-Y619 PolarHBondContact O-N 3.07Å; S617-Y619 PolarHBondContact OG-N 3.18Å; S617-H620 PolarHBondContact O-N 3.41Å; S617-H620 VanDerWaalsContact O-N 3.11Å; S617-Y719 PolarHBondContact N-OH 2.62Å
618S78Confident87.5Confident66 Ų6622.9 Ų22.946%0.46212%0.116SC..THydrogen-bonded Turntrans-65.7-17.2177.750.90000113.5K587 H620K587-S618 WeakPolarHBondContact O-CA 3.32Å; K587-S618 VanDerWaalsContact O-CB 3.31Å; K587-S618 WeakPolarHBondContact O-CB 3.4Å; S618-H620 VanDerWaalsContact C-N 3.29Å; S618-H620 PolarHBondContact O-N 3.06Å
619Y79.9Confident87.7Confident184 Ų18423.3 Ų23.372%0.72212%0.119SC*.THydrogen-bonded Turntrans-80.2-7175.2-58.8-72.1000113.8S617S617-Y619 PolarHBondContact O-N 3.07Å; S617-Y619 PolarHBondContact OG-N 3.18Å
620H83.3Confident87.6Confident51 Ų5124.8 Ų24.824%0.23613%0.127CC..  trans-123.6149.8-176.6-63.8-67.6000112Q589 S617 S618 F622 Y719Q589-H620 PolarHBondContact N-O 2.83Å; Q589-H620 VanDerWaalsContact N-O 3.1Å; S617-H620 PolarHBondContact O-N 3.41Å; S617-H620 VanDerWaalsContact O-N 3.11Å; S618-H620 VanDerWaalsContact C-N 3.29Å; S618-H620 PolarHBondContact O-N 3.06Å; H620-F622 VanDerWaalsContact C-N 3.3Å; H620-Y719 HydrophobicContact CB-CD1 3.82Å; H620-Y719 HydrophobicContact CB-CE1 3.65Å; H620-Y719 AromaticContact CD2-CD1 3.15Å; H620-Y719 WeakPolarHBondContact CD2-CD1 3.37Å; H620-Y719 AromaticContact CD2-CE1 3.53Å; H620-Y719 AromaticContact CD2-CG 3.43Å; H620-Y719 VanDerWaalsContact CD2-CG 3.43Å; H620-Y719 AromaticContact CE1-CD1 3.98Å; H620-Y719 AromaticContact CG-CD1 3.3Å; H620-Y719 AromaticContact CG-CE1 3.63Å; H620-Y719 AromaticContact ND1-CD1 3.81Å; H620-Y719 WeakPolarHBondContact NE2-CB 3.35Å; H620-Y719 AromaticContact NE2-CD1 3.63Å; H620-Y719 AromaticContact NE2-CG 3.51Å
621S83.8Confident87.3Confident43 Ų4328 Ų2830%0.30114%0.141SC..SBendtrans-87.95179.452.20000114H590H590-S621 WeakPolarHBondContact CE1-CB 3.35Å; H590-S621 WeakPolarHBondContact ND1-CB 3.39Å
622F88.1Confident86.7Confident22 Ų2234.9 Ų34.910%0.09617%0.17CC..SBendtrans-147158.5-175.364.4-91.2000112H620 V624 K680 K681 Y719H620-F622 VanDerWaalsContact C-N 3.3Å; F622-V624 HydrophobicContact CD2-CG1 3.89Å; F622-V624 HydrophobicContact CE2-CG1 3.57Å; F622-K680 HydrophobicContact CB-CB 3.9Å; F622-K680 HydrophobicContact CB-CD 3.85Å; F622-K680 HydrophobicContact CD1-CD 4Å; F622-K680 HydrophobicContact CD2-CB 3.62Å; F622-K680 HydrophobicContact CD2-CD 4.03Å; F622-K680 HydrophobicContact CD2-CG 4.36Å; F622-K680 HydrophobicContact CE2-CB 4.41Å; F622-K680 HydrophobicContact CG-CB 3.94Å; F622-K680 HydrophobicContact CG-CD 3.69Å; F622-K680 HydrophobicContact CG-CG 4.44Å; F622-K681 HydrophobicContact CE2-CD 4.38Å; F622-Y719 HydrophobicContact CD2-CE1 4.41Å; F622-Y719 AromaticContact CE2-CD1 3.91Å; F622-Y719 HydrophobicContact CE2-CD1 3.91Å; F622-Y719 HydrophobicContact CE2-CE1 4.02Å; F622-Y719 AromaticContact CZ-CD1 3.91Å; F622-Y719 HydrophobicContact CZ-CD1 3.91Å; F622-Y719 HydrophobicContact CZ-CE1 4.38Å
623V89.4Confident86Confident0 Ų035.6 Ų35.60%017%0.174CC..  trans-91.8147.4-179.9-176.90000110.7L588 V594 I599 V614 P679 K680L588-V623 HydrophobicContact CD1-CG2 4.48Å; L588-V623 HydrophobicContact CD2-CG2 4.47Å; V594-V623 HydrophobicContact CG1-CG2 4.18Å; I599-V623 HydrophobicContact CD1-CG1 4.14Å; I599-V623 HydrophobicContact CD1-CG2 4.13Å; V614-V623 HydrophobicContact CG1-CG1 3.27Å; V623-P679 HydrophobicContact CG1-CG 4.28Å; V623-P679 CarbonylContact O-C 3.5Å; V623-P679 VanDerWaalsContact O-CA 3.29Å; V623-P679 WeakPolarHBondContact O-CA 3.44Å; V623-K680 PolarHBondContact O-N 2.97Å
624V91.1Very high85.3Confident0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-124.1160.3168.1-53.20000110.9I615 F622 K681 L718 Y719I615-V624 HydrophobicContact CB-CG2 3.66Å; I615-V624 HydrophobicContact CG1-CG2 4.4Å; I615-V624 HydrophobicContact CG2-CG2 3.95Å; I615-V624 PolarHBondContact N-O 3.09Å; I615-V624 PolarHBondContact O-N 2.92Å; I615-V624 VanDerWaalsContact O-O 3.09Å; F622-V624 HydrophobicContact CD2-CG1 3.89Å; F622-V624 HydrophobicContact CE2-CG1 3.57Å; V624-K681 VanDerWaalsContact CA-O 3.27Å; V624-K681 WeakPolarHBondContact CA-O 3.32Å; V624-K681 WeakPolarHBondContact CB-O 3.44Å; V624-K681 HydrophobicContact CG1-CB 4.05Å; V624-L718 HydrophobicContact CB-CB 4.41Å; V624-L718 HydrophobicContact CB-CD1 4.26Å; V624-L718 HydrophobicContact CG1-CB 4.24Å; V624-L718 HydrophobicContact CG2-CB 4.35Å; V624-L718 HydrophobicContact CG2-CD1 4.11Å; V624-Y719 HydrophobicContact CG1-CD1 4.23Å; V624-Y719 HydrophobicContact CG1-CE1 3.81Å; V624-Y719 HydrophobicContact CG2-CE1 4.31Å; V624-Y719 HydrophobicContact CG2-CE2 3.78Å
625A91.9Very high84.5Confident0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-137.2136.8-178.500000112.5V612 V627 P679 K681 I682 H683V612-A625 HydrophobicContact CG2-CB 4.11Å; A625-V627 HydrophobicContact CB-CG2 4.34Å; A625-P679 HydrophobicContact CB-CB 3.92Å; A625-P679 HydrophobicContact CB-CG 3.95Å; A625-K681 PolarHBondContact N-O 3.21Å; A625-K681 VanDerWaalsContact N-O 3.12Å; A625-I682 HydrophobicContact CB-CG1 4.49Å; A625-I682 CarbonylContact O-C 3.59Å; A625-I682 VanDerWaalsContact O-CA 3.31Å; A625-I682 WeakPolarHBondContact O-CA 3.44Å; A625-H683 PolarHBondContact O-N 2.85Å
626L92.5Very high83.7Confident0 Ų044.4 Ų44.40%022%0.22CC..EExtended strand (participates in β ladder)trans-92.7122164-59-179.7000107.8V612 C613 I615 H683 W689 I707 Y711 V714 I715 L718V612-L626 CarbonylContact C-O 3.54Å; V612-L626 VanDerWaalsContact CA-O 3.27Å; V612-L626 WeakPolarHBondContact CA-O 3.5Å; C613-L626 HydrophobicContact CB-CB 4.43Å; C613-L626 PolarHBondContact N-O 2.96Å; C613-L626 PolarHBondContact O-N 2.95Å; I615-L626 HydrophobicContact CD1-CD1 4.36Å; I615-L626 HydrophobicContact CG1-CG 4.28Å; L626-H683 HydrophobicContact CD2-CB 3.81Å; L626-W689 HydrophobicContact CB-CH2 4.15Å; L626-W689 HydrophobicContact CB-CZ2 4.38Å; L626-I707 HydrophobicContact CD1-CG2 3.76Å; L626-Y711 HydrophobicContact CD1-CD1 4.24Å; L626-Y711 HydrophobicContact CD1-CD2 4.04Å; L626-Y711 HydrophobicContact CD1-CG 3.69Å; L626-Y711 HydrophobicContact CD2-CD1 4.41Å; L626-V714 HydrophobicContact CD2-CG1 4.23Å; L626-I715 HydrophobicContact CD1-CD1 4.22Å; L626-I715 HydrophobicContact CD1-CG1 4.26Å; L626-I715 HydrophobicContact CD2-CG1 4.41Å; L626-L718 HydrophobicContact CD2-CD1 4.22Å
627V91Very high83.1Confident0 Ų045.3 Ų45.30%022%0.223CC..EExtended strand (participates in β ladder)trans-121.2123-175.9170.50000109.8V609 V612 A625 P629 F661 F665 I682 H683 L684 C685V609-V627 HydrophobicContact CB-CG1 4.48Å; V609-V627 HydrophobicContact CG1-CG1 4.17Å; V609-V627 HydrophobicContact CG2-CG1 3.94Å; V612-V627 HydrophobicContact CB-CG2 4.39Å; V612-V627 HydrophobicContact CG2-CG2 3.97Å; A625-V627 HydrophobicContact CB-CG2 4.34Å; V627-P629 WeakPolarHBondContact O-CD 3.25Å; V627-F661 HydrophobicContact CB-CZ 4.42Å; V627-F661 HydrophobicContact CG1-CE1 4.36Å; V627-F661 HydrophobicContact CG1-CE2 4.16Å; V627-F661 HydrophobicContact CG1-CZ 3.62Å; V627-F661 HydrophobicContact CG2-CZ 4.48Å; V627-F665 HydrophobicContact CG2-CE2 4.37Å; V627-I682 HydrophobicContact CB-CG2 4.02Å; V627-I682 HydrophobicContact CG2-CG2 3.58Å; V627-H683 PolarHBondContact N-O 3.15Å; V627-L684 HydrophobicContact CB-CD2 4.06Å; V627-L684 HydrophobicContact CG1-CD2 3.98Å; V627-L684 CarbonylContact O-C 3.6Å; V627-L684 WeakPolarHBondContact O-CA 3.5Å; V627-C685 PolarHBondContact O-N 3.49Å
628V90Very high82.6Confident1 Ų144.6 Ų44.61%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-86.2112165.1-177.10000107.4E610 F611 C685 W689E610-V628 WeakPolarHBondContact CA-O 3.17Å; E610-V628 HydrophobicContact CB-CB 4.48Å; E610-V628 HydrophobicContact CB-CG1 4.19Å; E610-V628 WeakPolarHBondContact CB-O 3.39Å; E610-V628 PolarHBondContact N-O 3.42Å; F611-V628 HydrophobicContact CB-CB 4.04Å; F611-V628 HydrophobicContact CB-CG2 4.08Å; F611-V628 HydrophobicContact CD2-CB 4.38Å; F611-V628 HydrophobicContact CD2-CG1 4.45Å; F611-V628 PolarHBondContact N-O 3.34Å; F611-V628 PolarHBondContact O-N 3.41Å; V628-C685 HydrophobicContact CG2-CB 3.94Å; V628-W689 HydrophobicContact CG2-CB 4.46Å; V628-W689 HydrophobicContact CG2-CD2 3.45Å; V628-W689 VanDerWaalsContact CG2-CD2 3.45Å; V628-W689 VanDerWaalsContact CG2-CE2 3.49Å; V628-W689 HydrophobicContact CG2-CE3 3.93Å; V628-W689 HydrophobicContact CG2-CG 3.68Å; V628-W689 HydrophobicContact CG2-CH2 4.42Å; V628-W689 HydrophobicContact CG2-CZ2 4.01Å; V628-W689 HydrophobicContact CG2-CZ3 4.37Å
629P87.2Confident82.2Confident13 Ų1343.8 Ų43.88%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-75.8144.9-178.529.7-32.9000111.6L608 V627 K631 L634 C685L608-P629 CarbonylContact O-C 3.58Å; L608-P629 WeakPolarHBondContact O-CA 3.48Å; V627-P629 WeakPolarHBondContact O-CD 3.25Å; P629-K631 PolarHBondContact O-N 3.33Å; P629-L634 HydrophobicContact CB-CD2 3.92Å; P629-L634 HydrophobicContact CG-CD2 4.34Å; P629-C685 VanDerWaalsContact CD-O 3.28Å; P629-C685 WeakPolarHBondContact CD-O 3.4Å
630N84.3Confident81.5Confident31 Ų3137.9 Ų37.917%0.16620%0.199CC..  trans-70.9101.3166.2-174.8-65.8000108.8L608 E610 K632 N633 L634L608-N630 PolarHBondContact O-N 3.39Å; E610-N630 HydrophobicContact CB-CB 4.44Å; E610-N630 PolarHBondContact OE2-ND2 2.96Å; N630-K632 VanDerWaalsContact C-N 3.32Å; N630-K632 PolarHBondContact O-N 2.99Å; N630-K632 PolarHBondContact OD1-N 3.19Å; N630-N633 HydrophobicContact CB-CB 4.15Å; N630-N633 PolarHBondContact O-N 3.42Å; N630-N633 WeakPolarHBondContact OD1-CB 3.44Å; N630-N633 PolarHBondContact OD1-N 3.26Å; N630-L634 WeakPolarHBondContact O-CB 3.39Å; N630-L634 PolarHBondContact O-N 3.06Å
631K79.9Confident80.5Confident111 Ų11140.4 Ų40.448%0.48321%0.209SC..Hα-helixtrans-55.1-43.9-171.7-67.5179.4-179.7170.60112.7P629 V635 K686 N688P629-K631 PolarHBondContact O-N 3.33Å; K631-V635 VanDerWaalsContact O-CG2 3.27Å; K631-V635 WeakPolarHBondContact O-CG2 3.17Å; K631-V635 PolarHBondContact O-N 2.85Å; K631-K686 PolarHBondContact NZ-O 2.89Å; K631-N688 WeakPolarHBondContact CE-OD1 3.4Å; K631-N688 PolarHBondContact NZ-OD1 2.84Å; K631-N688 VanDerWaalsContact NZ-OD1 3.15Å
632K77.9Confident78.9Confident166 Ų16641 Ų4172%0.72221%0.211SC*.Hα-helixtrans-63.4-48.7179.4-78.1-177.4177.21760111.5N630 H636N630-K632 VanDerWaalsContact C-N 3.32Å; N630-K632 PolarHBondContact O-N 2.99Å; N630-K632 PolarHBondContact OD1-N 3.19Å; K632-H636 WeakPolarHBondContact O-CB 3.34Å; K632-H636 PolarHBondContact O-N 2.85Å; K632-H636 VanDerWaalsContact O-N 3.13Å
633N77.6Confident76.9Confident17 Ų1746.9 Ų46.99%0.09124%0.242CC..Hα-helixtrans-69.6-36.2-178.5-71-7.9000111.9T399 P607 L608 N630 H636 F637T399-N633 PolarHBondContact OG1-ND2 2.78Å; P607-N633 WeakPolarHBondContact O-CB 3.44Å; P607-N633 PolarHBondContact O-ND2 3.01Å; L608-N633 HydrophobicContact CD2-CB 4.3Å; N630-N633 HydrophobicContact CB-CB 4.15Å; N630-N633 PolarHBondContact O-N 3.42Å; N630-N633 WeakPolarHBondContact OD1-CB 3.44Å; N630-N633 PolarHBondContact OD1-N 3.26Å; N633-H636 PolarHBondContact O-N 3.07Å; N633-F637 VanDerWaalsContact O-CB 3.26Å; N633-F637 WeakPolarHBondContact O-CB 3.5Å; N633-F637 PolarHBondContact O-N 3.06Å
634L76.8Confident74.8Confident10 Ų1057.9 Ų57.95%0.05228%0.283CS..Hα-helixtrans-64.5-46.4176.7-175.265.6000112.2P629 N630 H636 F637 A638 R657 F661P629-L634 HydrophobicContact CB-CD2 3.92Å; P629-L634 HydrophobicContact CG-CD2 4.34Å; N630-L634 WeakPolarHBondContact O-CB 3.39Å; N630-L634 PolarHBondContact O-N 3.06Å; L634-H636 VanDerWaalsContact C-N 3.31Å; L634-H636 PolarHBondContact O-N 3.24Å; L634-F637 PolarHBondContact O-N 2.93Å; L634-A638 WeakPolarHBondContact O-CB 3.35Å; L634-A638 PolarHBondContact O-N 3.47Å; L634-R657 HydrophobicContact CD2-CB 4.47Å; L634-R657 HydrophobicContact CD2-CG 4.4Å; L634-F661 HydrophobicContact CD1-CD2 4.29Å
635V76.2Confident72.5Confident76 Ų7667.4 Ų67.446%0.46132%0.319SS..Hα-helixtrans-61.9-42.2177.2170.20000110.8K631 S639K631-V635 VanDerWaalsContact O-CG2 3.27Å; K631-V635 WeakPolarHBondContact O-CG2 3.17Å; K631-V635 PolarHBondContact O-N 2.85Å; V635-S639 PolarHBondContact O-N 3.31Å; V635-S639 PolarHBondContact O-OG 3Å
636H72.6Confident70Confident101 Ų10175.1 Ų75.147%0.46835%0.353SS..Hα-helixtrans-66-44.7177.3-172.958.6000112.6K632 N633 L634 A638 S639 S640K632-H636 WeakPolarHBondContact O-CB 3.34Å; K632-H636 PolarHBondContact O-N 2.85Å; K632-H636 VanDerWaalsContact O-N 3.13Å; N633-H636 PolarHBondContact O-N 3.07Å; L634-H636 VanDerWaalsContact C-N 3.31Å; L634-H636 PolarHBondContact O-N 3.24Å; H636-A638 VanDerWaalsContact C-N 3.35Å; H636-A638 PolarHBondContact O-N 3.08Å; H636-S639 WeakPolarHBondContact CA-OG 3.48Å; H636-S639 PolarHBondContact O-N 3.37Å; H636-S639 PolarHBondContact O-OG 2.82Å; H636-S640 PolarHBondContact O-N 2.81Å
637F71.9Confident67.3Low31 Ų3182.8 Ų82.814%0.13639%0.394CS..Hα-helixtrans-61.2-45.5177.1-175-99000111.3L608 N633 L634 S640 K641 C660 H664L608-F637 HydrophobicContact CD1-CD1 4.13Å; L608-F637 HydrophobicContact CD1-CE1 4.35Å; L608-F637 HydrophobicContact CD1-CG 4.28Å; L608-F637 HydrophobicContact CD2-CB 3.76Å; L608-F637 HydrophobicContact CD2-CD2 4.43Å; L608-F637 HydrophobicContact CD2-CG 4.03Å; N633-F637 VanDerWaalsContact O-CB 3.26Å; N633-F637 WeakPolarHBondContact O-CB 3.5Å; N633-F637 PolarHBondContact O-N 3.06Å; L634-F637 PolarHBondContact O-N 2.93Å; F637-S640 PolarHBondContact O-N 3.12Å; F637-S640 PolarHBondContact O-OG 2.9Å; F637-K641 HydrophobicContact CE1-CD 4.47Å; F637-K641 HydrophobicContact CZ-CD 4.2Å; F637-K641 PolarHBondContact O-N 3.11Å; F637-C660 HydrophobicContact CD1-CB 4.25Å; F637-C660 HydrophobicContact CE1-CB 3.92Å; F637-H664 HydrophobicContact CE1-CB 4.22Å; F637-H664 HydrophobicContact CE2-CB 4.35Å; F637-H664 HydrophobicContact CZ-CB 3.72Å; F637-H664 AromaticContact CZ-CG 3.86Å
638A70.6Confident64.5Low13 Ų1391.1 Ų91.111%0.10743%0.433CS..Hα-helixtrans-59-50.6176.700000111.3L634 H636 S640 K641 V642L634-A638 WeakPolarHBondContact O-CB 3.35Å; L634-A638 PolarHBondContact O-N 3.47Å; H636-A638 VanDerWaalsContact C-N 3.35Å; H636-A638 PolarHBondContact O-N 3.08Å; A638-S640 VanDerWaalsContact C-N 3.34Å; A638-S640 PolarHBondContact O-N 2.9Å; A638-K641 PolarHBondContact O-N 3.35Å; A638-V642 VanDerWaalsContact O-CB 3.23Å; A638-V642 WeakPolarHBondContact O-CB 3.34Å; A638-V642 WeakPolarHBondContact O-CG2 3.28Å; A638-V642 PolarHBondContact O-N 3.04Å
639S70Confident61.8Low50 Ų5098.5 Ų98.535%0.3547%0.473SS..Hα-helixtrans-59.4-40.8178.246.90000112.9V635 H636 K641 I643V635-S639 PolarHBondContact O-N 3.31Å; V635-S639 PolarHBondContact O-OG 3Å; H636-S639 WeakPolarHBondContact CA-OG 3.48Å; H636-S639 PolarHBondContact O-N 3.37Å; H636-S639 PolarHBondContact O-OG 2.82Å; S639-K641 VanDerWaalsContact C-N 3.34Å; S639-K641 PolarHBondContact O-N 3.05Å; S639-I643 WeakPolarHBondContact O-CD1 3.4Å; S639-I643 VanDerWaalsContact O-CG1 3.22Å; S639-I643 WeakPolarHBondContact O-CG1 3.22Å; S639-I643 PolarHBondContact O-N 3.01Å
640S66Low59.4Low60 Ų60102.6 Ų102.642%0.4251%0.507SS..Hα-helixtrans-64.2-32.1179.275.20000114.5H636 F637 A638H636-S640 PolarHBondContact O-N 2.81Å; F637-S640 PolarHBondContact O-N 3.12Å; F637-S640 PolarHBondContact O-OG 2.9Å; A638-S640 VanDerWaalsContact C-N 3.34Å; A638-S640 PolarHBondContact O-N 2.9Å
641K61Low57.2Low103 Ų103108.4 Ų108.445%0.44853%0.531SS..Hα-helixtrans-94.7-31.9179.6-73.4-142178.6-174.50113.7F637 A638 S639 R644F637-K641 HydrophobicContact CE1-CD 4.47Å; F637-K641 HydrophobicContact CZ-CD 4.2Å; F637-K641 PolarHBondContact O-N 3.11Å; A638-K641 PolarHBondContact O-N 3.35Å; S639-K641 VanDerWaalsContact C-N 3.34Å; S639-K641 PolarHBondContact O-N 3.05Å; K641-R644 PolarHBondContact O-N 3.49Å
642V50.9Low55.8Low56 Ų56106.8 Ų106.834%0.33953%0.534SS..Hα-helixtrans-64.3-41.2177.3169.60000110.8A638 R644 R645 F646 L656A638-V642 VanDerWaalsContact O-CB 3.23Å; A638-V642 WeakPolarHBondContact O-CB 3.34Å; A638-V642 WeakPolarHBondContact O-CG2 3.28Å; A638-V642 PolarHBondContact O-N 3.04Å; V642-R644 PolarHBondContact O-N 3.42Å; V642-R645 PolarHBondContact O-N 3Å; V642-F646 PolarHBondContact O-N 3.14Å; V642-L656 HydrophobicContact CG2-CD1 4.27Å; V642-L656 HydrophobicContact CG2-CD2 3.28Å; V642-L656 HydrophobicContact CG2-CG 4.42Å
643I46.6Very low54.4Low145 Ų145105.1 Ų105.174%0.74453%0.529SS*.Hα-helixtrans-63.6-25179.4-66.2168.7000112.3S639S639-I643 WeakPolarHBondContact O-CD1 3.4Å; S639-I643 VanDerWaalsContact O-CG1 3.22Å; S639-I643 WeakPolarHBondContact O-CG1 3.22Å; S639-I643 PolarHBondContact O-N 3.01Å
644R45.9Very low53.3Low231 Ų231112.9 Ų112.987%0.87256%0.557SS**Hα-helixtrans-89.2-14-180-88.3-171.2174.6-177-0.9115.3K641 V642K641-R644 PolarHBondContact O-N 3.49Å; V642-R644 PolarHBondContact O-N 3.42Å
645R42.8Very low52.3Low200 Ų200113.8 Ų113.876%0.75557%0.566SS**Hα-helixtrans-127.1-19.7-171.1-102.7-177.1175.4177.8-1.9117.1V642V642-R645 PolarHBondContact O-N 3Å
646F38.2Very low51.1Low163 Ų163112.7 Ų112.772%0.71556%0.557SS**  trans-145.4119.1-178.1-82.5-83.1000113.8V642V642-F646 PolarHBondContact O-N 3.14Å
647N35.3Very low50.4Low160 Ų160111.5 Ų111.586%0.85655%0.548SS*.  trans-58.9140.1154.3-116.9-18.7000108.2N649N647-N649 PolarHBondContact O-N 3.44Å
648Q33.2Very low50Low176 Ų176112.1 Ų112.182%0.82256%0.556SS**SBendtrans-42.3116.1-177.6-63.9172.3-6.700111.8
649N32.8Very low49.5Very low156 Ų156115.3 Ų115.383%0.83458%0.575SS**  trans173.6132.1136.5-81.9-23.2000112.5N647N647-N649 PolarHBondContact O-N 3.44Å
650A37.7Very low48.9Very low98 Ų98113.8 Ų113.881%0.8156%0.564SS**  trans68.447.3155.200000121.4
651F38.2Very low48.9Very low154 Ų154111 Ų11168%0.67554%0.544SS*.  trans-129127.4153.7-112.1-99000109.6E653 A655 L656F651-E653 PolarHBondContact O-N 3.33Å; F651-A655 HydrophobicContact CD1-CB 3.81Å; F651-A655 HydrophobicContact CE1-CB 4.08Å; F651-L656 HydrophobicContact CB-CD1 4.33Å
652S49.1Very low49.3Very low77 Ų77109.8 Ų109.854%0.53854%0.543SS..  trans-57.4135.9177.472.80000109.7R654 A655 L656S652-R654 PolarHBondContact O-N 3.07Å; S652-A655 PolarHBondContact O-N 3.22Å; S652-A655 PolarHBondContact OG-N 2.8Å; S652-L656 PolarHBondContact O-N 3.22Å
653E50.1Low50.1Low131 Ų131112.8 Ų112.861%0.61255%0.553SS**Hα-helixtrans-50.8-28.3-179.2-158.5-176.2-173.300112.1F651 R657F651-E653 PolarHBondContact O-N 3.33Å; E653-R657 VanDerWaalsContact O-CB 3.31Å; E653-R657 WeakPolarHBondContact O-CB 3.26Å; E653-R657 WeakPolarHBondContact O-CD 3.36Å; E653-R657 WeakPolarHBondContact O-CG 3.47Å; E653-R657 PolarHBondContact O-N 2.84Å; E653-R657 VanDerWaalsContact O-N 3.11Å; E653-R657 IonicContact OE1-CZ 3.6Å; E653-R657 IonicContact OE1-NE 3.52Å; E653-R657 IonicContact OE1-NH2 3.93Å; E653-R657 PolarHBondContact OE1-NH2 3.47Å; E653-R657 IonicContact OE2-CZ 2.71Å; E653-R657 IonicContact OE2-NH2 3.21Å
654R54.5Low51.1Low179 Ų179108.9 Ų108.968%0.67553%0.532SS*.Hα-helixtrans-66.6-46176.2-168.8175.8-174.6175.1-1.5114S652 S658S652-R654 PolarHBondContact O-N 3.07Å; R654-S658 PolarHBondContact O-N 2.85Å; R654-S658 VanDerWaalsContact O-N 3.1Å
655A54.1Low52.4Low29 Ų2998.1 Ų98.124%0.2449%0.491CS..Hα-helixtrans-70.4-37.2-17800000111.8F651 S652 S658 T659F651-A655 HydrophobicContact CD1-CB 3.81Å; F651-A655 HydrophobicContact CE1-CB 4.08Å; S652-A655 PolarHBondContact O-N 3.22Å; S652-A655 PolarHBondContact OG-N 2.8Å; A655-S658 PolarHBondContact O-N 3.41Å; A655-S658 PolarHBondContact O-OG 3.11Å; A655-S658 VanDerWaalsContact O-OG 3.11Å; A655-T659 PolarHBondContact O-N 3.49Å; A655-T659 PolarHBondContact O-OG1 3.24Å
656L51.9Low53.8Low53 Ų5389.9 Ų89.928%0.27747%0.468SS..Hα-helixtrans-71-40.5178.7-149.8147.4000111V642 F651 S652 S658 T659 C660V642-L656 HydrophobicContact CG2-CD1 4.27Å; V642-L656 HydrophobicContact CG2-CD2 3.28Å; V642-L656 HydrophobicContact CG2-CG 4.42Å; F651-L656 HydrophobicContact CB-CD1 4.33Å; S652-L656 PolarHBondContact O-N 3.22Å; L656-S658 PolarHBondContact O-N 3.06Å; L656-T659 PolarHBondContact O-N 3.31Å; L656-C660 VanDerWaalsContact O-CB 3.31Å; L656-C660 WeakPolarHBondContact O-CB 3.31Å; L656-C660 PolarHBondContact O-N 2.98Å
657R57.9Low55.4Low76 Ų7686.2 Ų86.229%0.28746%0.459SS..Hα-helixtrans-59.8-42.6171.8-76.3172.1-176.4-170.42.4112.2L634 E653 F661L634-R657 HydrophobicContact CD2-CB 4.47Å; L634-R657 HydrophobicContact CD2-CG 4.4Å; E653-R657 VanDerWaalsContact O-CB 3.31Å; E653-R657 WeakPolarHBondContact O-CB 3.26Å; E653-R657 WeakPolarHBondContact O-CD 3.36Å; E653-R657 WeakPolarHBondContact O-CG 3.47Å; E653-R657 PolarHBondContact O-N 2.84Å; E653-R657 VanDerWaalsContact O-N 3.11Å; E653-R657 IonicContact OE1-CZ 3.6Å; E653-R657 IonicContact OE1-NE 3.52Å; E653-R657 IonicContact OE1-NH2 3.93Å; E653-R657 PolarHBondContact OE1-NH2 3.47Å; E653-R657 IonicContact OE2-CZ 2.71Å; E653-R657 IonicContact OE2-NH2 3.21Å; R657-F661 WeakPolarHBondContact O-CB 3.32Å; R657-F661 PolarHBondContact O-N 3.22Å
658S62Low57.1Low44 Ų4480 Ų8031%0.30843%0.426SS..Hα-helixtrans-70-38.918080.10000112.7R654 A655 L656 F661 N662R654-S658 PolarHBondContact O-N 2.85Å; R654-S658 VanDerWaalsContact O-N 3.1Å; A655-S658 PolarHBondContact O-N 3.41Å; A655-S658 PolarHBondContact O-OG 3.11Å; A655-S658 VanDerWaalsContact O-OG 3.11Å; L656-S658 PolarHBondContact O-N 3.06Å; S658-F661 PolarHBondContact O-N 2.9Å; S658-N662 WeakPolarHBondContact O-CB 3.37Å; S658-N662 PolarHBondContact O-N 3.47Å; S658-N662 PolarHBondContact O-ND2 3.1Å
659T61Low59.1Low80 Ų8071.6 Ų71.649%0.49139%0.386SS..Hα-helixtrans-72.4-43.9-177.3-49.30000111.2A655 L656 F661 N662 Q663A655-T659 PolarHBondContact O-N 3.49Å; A655-T659 PolarHBondContact O-OG1 3.24Å; L656-T659 PolarHBondContact O-N 3.31Å; T659-F661 VanDerWaalsContact C-N 3.34Å; T659-N662 PolarHBondContact O-N 2.95Å; T659-Q663 PolarHBondContact O-N 2.99Å
660C57.7Low61.2Low19 Ų1966.8 Ų66.813%0.12837%0.369CS..Hα-helixtrans-63.4-40.3173.7-78.60000112F637 L656 H664F637-C660 HydrophobicContact CD1-CB 4.25Å; F637-C660 HydrophobicContact CE1-CB 3.92Å; L656-C660 VanDerWaalsContact O-CB 3.31Å; L656-C660 WeakPolarHBondContact O-CB 3.31Å; L656-C660 PolarHBondContact O-N 2.98Å; C660-H664 PolarHBondContact O-N 3.14Å
661F66.8Low62.9Low0 Ų069.1 Ų69.10%036%0.363CS..Hα-helixtrans-59.6-52.4174-176-87.8000110.5L608 V609 V627 L634 R657 S658 T659 Q663 H664 F665 I682 L684L608-F661 HydrophobicContact CB-CD2 3.96Å; L608-F661 HydrophobicContact CB-CE2 3.75Å; L608-F661 HydrophobicContact CD1-CD2 4.16Å; V609-F661 HydrophobicContact CG2-CE2 4.06Å; V609-F661 HydrophobicContact CG2-CZ 3.77Å; V627-F661 HydrophobicContact CB-CZ 4.42Å; V627-F661 HydrophobicContact CG1-CE1 4.36Å; V627-F661 HydrophobicContact CG1-CE2 4.16Å; V627-F661 HydrophobicContact CG1-CZ 3.62Å; V627-F661 HydrophobicContact CG2-CZ 4.48Å; L634-F661 HydrophobicContact CD1-CD2 4.29Å; R657-F661 WeakPolarHBondContact O-CB 3.32Å; R657-F661 PolarHBondContact O-N 3.22Å; S658-F661 PolarHBondContact O-N 2.9Å; T659-F661 VanDerWaalsContact C-N 3.34Å; F661-Q663 VanDerWaalsContact C-N 3.33Å; F661-Q663 PolarHBondContact O-N 3.23Å; F661-H664 PolarHBondContact O-N 2.9Å; F661-F665 HydrophobicContact CD1-CB 4.18Å; F661-F665 HydrophobicContact CE1-CB 3.9Å; F661-F665 AromaticContact CE1-CD2 3.46Å; F661-F665 HydrophobicContact CE1-CD2 3.46Å; F661-F665 VanDerWaalsContact CE1-CD2 3.46Å; F661-F665 HydrophobicContact CE1-CE2 4.08Å; F661-F665 AromaticContact CE1-CG 3.81Å; F661-F665 HydrophobicContact CE1-CG 3.81Å; F661-F665 HydrophobicContact CZ-CB 4.34Å; F661-F665 AromaticContact CZ-CD2 3.5Å; F661-F665 HydrophobicContact CZ-CD2 3.5Å; F661-F665 VanDerWaalsContact CZ-CD2 3.5Å; F661-F665 HydrophobicContact CZ-CE2 4.11Å; F661-F665 HydrophobicContact CZ-CG 4.24Å; F661-F665 WeakPolarHBondContact O-CB 3.46Å; F661-F665 PolarHBondContact O-N 3.25Å; F661-I682 HydrophobicContact CE1-CD1 4.38Å; F661-I682 HydrophobicContact CE1-CG2 4.32Å; F661-L684 HydrophobicContact CD1-CD2 3.9Å; F661-L684 HydrophobicContact CD2-CD2 4.22Å; F661-L684 HydrophobicContact CE1-CD2 3.91Å; F661-L684 HydrophobicContact CE2-CD2 4.21Å; F661-L684 HydrophobicContact CG-CD1 4.43Å; F661-L684 HydrophobicContact CG-CD2 4.09Å; F661-L684 HydrophobicContact CZ-CD2 4.09Å
662N69.5Low64.6Low79 Ų7964.9 Ų64.942%0.42234%0.344SS..Hα-helixtrans-60-38.4-178.2-73-14.2000113.2S658 T659 G666S658-N662 WeakPolarHBondContact O-CB 3.37Å; S658-N662 PolarHBondContact O-N 3.47Å; S658-N662 PolarHBondContact O-ND2 3.1Å; T659-N662 PolarHBondContact O-N 2.95Å; N662-G666 PolarHBondContact O-N 3.22Å
663Q66.1Low66.1Low119 Ų11961.8 Ų61.856%0.55632%0.321SS*.Hα-helixtrans-64.9-47.7177.7-107.7-174.8-8.700112.5T659 F661 V667T659-Q663 PolarHBondContact O-N 2.99Å; F661-Q663 VanDerWaalsContact C-N 3.33Å; F661-Q663 PolarHBondContact O-N 3.23Å; Q663-V667 WeakPolarHBondContact O-CG2 3.36Å; Q663-V667 PolarHBondContact O-N 3.44Å
664H68Low67.5Low63 Ų6357.5 Ų57.529%0.29231%0.308SS..Hα-helixtrans-75.6-38-177.4-163.453.1000111.8L608 F637 C660 F661 I668L608-H664 HydrophobicContact CD1-CB 4.09Å; F637-H664 HydrophobicContact CE1-CB 4.22Å; F637-H664 HydrophobicContact CE2-CB 4.35Å; F637-H664 HydrophobicContact CZ-CB 3.72Å; F637-H664 AromaticContact CZ-CG 3.86Å; C660-H664 PolarHBondContact O-N 3.14Å; F661-H664 PolarHBondContact O-N 2.9Å; H664-I668 WeakPolarHBondContact O-CG1 3.5Å; H664-I668 PolarHBondContact O-N 3.06Å
665F72.8Confident68.9Low4 Ų458.1 Ų58.12%0.01832%0.316CS..Hα-helixtrans-59.3-50.1172.7-178-84.6000111.4I603 V609 V627 F661 V667 I668 V669 P679 I682I603-F665 HydrophobicContact CB-CE2 4.31Å; I603-F665 HydrophobicContact CB-CZ 4.47Å; I603-F665 HydrophobicContact CD1-CE2 4.31Å; I603-F665 HydrophobicContact CD1-CZ 3.73Å; I603-F665 HydrophobicContact CG1-CE2 4.01Å; I603-F665 HydrophobicContact CG1-CZ 3.69Å; I603-F665 HydrophobicContact CG2-CD2 4.42Å; I603-F665 HydrophobicContact CG2-CE2 3.44Å; I603-F665 VanDerWaalsContact CG2-CE2 3.44Å; I603-F665 HydrophobicContact CG2-CZ 3.98Å; V609-F665 HydrophobicContact CG2-CD2 4.33Å; V609-F665 HydrophobicContact CG2-CE2 4.38Å; V627-F665 HydrophobicContact CG2-CE2 4.37Å; F661-F665 HydrophobicContact CD1-CB 4.18Å; F661-F665 HydrophobicContact CE1-CB 3.9Å; F661-F665 AromaticContact CE1-CD2 3.46Å; F661-F665 HydrophobicContact CE1-CD2 3.46Å; F661-F665 VanDerWaalsContact CE1-CD2 3.46Å; F661-F665 HydrophobicContact CE1-CE2 4.08Å; F661-F665 AromaticContact CE1-CG 3.81Å; F661-F665 HydrophobicContact CE1-CG 3.81Å; F661-F665 HydrophobicContact CZ-CB 4.34Å; F661-F665 AromaticContact CZ-CD2 3.5Å; F661-F665 HydrophobicContact CZ-CD2 3.5Å; F661-F665 VanDerWaalsContact CZ-CD2 3.5Å; F661-F665 HydrophobicContact CZ-CE2 4.11Å; F661-F665 HydrophobicContact CZ-CG 4.24Å; F661-F665 WeakPolarHBondContact O-CB 3.46Å; F661-F665 PolarHBondContact O-N 3.25Å; F665-V667 VanDerWaalsContact C-N 3.31Å; F665-V667 PolarHBondContact O-N 2.96Å; F665-I668 PolarHBondContact O-N 2.63Å; F665-V669 HydrophobicContact CD1-CG2 3.95Å; F665-V669 HydrophobicContact CD2-CG2 4.36Å; F665-V669 HydrophobicContact CE1-CB 4.35Å; F665-V669 HydrophobicContact CE1-CG2 3.74Å; F665-V669 HydrophobicContact CE2-CG2 4.24Å; F665-V669 HydrophobicContact CG-CG2 4.25Å; F665-V669 HydrophobicContact CZ-CG2 3.92Å; F665-V669 WeakPolarHBondContact O-CB 3.3Å; F665-V669 WeakPolarHBondContact O-CG2 3.48Å; F665-V669 PolarHBondContact O-N 3.41Å; F665-P679 HydrophobicContact CZ-CG 4.49Å; F665-I682 HydrophobicContact CD1-CD1 3.45Å; F665-I682 VanDerWaalsContact CD1-CD1 3.45Å; F665-I682 HydrophobicContact CD2-CD1 4.4Å; F665-I682 HydrophobicContact CE1-CD1 3.21Å; F665-I682 HydrophobicContact CE1-CG1 4.33Å; F665-I682 HydrophobicContact CE2-CD1 4.15Å; F665-I682 HydrophobicContact CG-CD1 4.07Å; F665-I682 HydrophobicContact CZ-CD1 3.57Å; F665-I682 HydrophobicContact CZ-CG1 4.47Å
666G72.6Confident70.3Confident27 Ų2759.9 Ų59.928%0.27832%0.318SS..Hα-helixtrans-58.6-40.9-17700000113.1N662 A670N662-G666 PolarHBondContact O-N 3.22Å; G666-A670 WeakPolarHBondContact O-CB 3.47Å; G666-A670 PolarHBondContact O-N 3.38Å
667V72Confident71.9Confident87 Ų8757.8 Ų57.853%0.52731%0.307SS..Hα-helixtrans-65.4-49.7177.9175.20000111.5Q663 F665 V669 A670 E671Q663-V667 WeakPolarHBondContact O-CG2 3.36Å; Q663-V667 PolarHBondContact O-N 3.44Å; F665-V667 VanDerWaalsContact C-N 3.31Å; F665-V667 PolarHBondContact O-N 2.96Å; V667-V669 VanDerWaalsContact C-N 3.29Å; V667-V669 PolarHBondContact O-N 3.32Å; V667-A670 PolarHBondContact O-N 3.43Å; V667-E671 PolarHBondContact O-N 3.13Å
668I70.8Confident73.3Confident28 Ų2856.3 Ų56.314%0.14430%0.304CS..Hα-helixtrans-63.5-39-176.8-68.1172000111.1C606 H664 F665C606-I668 HydrophobicContact CB-CD1 4.19Å; C606-I668 HydrophobicContact CB-CG2 4.45Å; H664-I668 WeakPolarHBondContact O-CG1 3.5Å; H664-I668 PolarHBondContact O-N 3.06Å; F665-I668 PolarHBondContact O-N 2.63Å
669V75.7Confident74.6Confident0 Ų054.7 Ų54.70%029%0.292CS..Hα-helixtrans-78.3-38.4-175.7179.70000111.1I603 F665 V667 E671 K672 L673 I678I603-V669 HydrophobicContact CG1-CG1 4.43Å; I603-V669 HydrophobicContact CG1-CG2 3.87Å; F665-V669 HydrophobicContact CD1-CG2 3.95Å; F665-V669 HydrophobicContact CD2-CG2 4.36Å; F665-V669 HydrophobicContact CE1-CB 4.35Å; F665-V669 HydrophobicContact CE1-CG2 3.74Å; F665-V669 HydrophobicContact CE2-CG2 4.24Å; F665-V669 HydrophobicContact CG-CG2 4.25Å; F665-V669 HydrophobicContact CZ-CG2 3.92Å; F665-V669 WeakPolarHBondContact O-CB 3.3Å; F665-V669 WeakPolarHBondContact O-CG2 3.48Å; F665-V669 PolarHBondContact O-N 3.41Å; V667-V669 VanDerWaalsContact C-N 3.29Å; V667-V669 PolarHBondContact O-N 3.32Å; V669-E671 VanDerWaalsContact C-N 3.26Å; V669-E671 PolarHBondContact O-N 3.02Å; V669-K672 PolarHBondContact O-N 3.46Å; V669-K672 VanDerWaalsContact O-N 3.08Å; V669-L673 HydrophobicContact CG1-CB 4.36Å; V669-L673 HydrophobicContact CG1-CD1 3.38Å; V669-L673 HydrophobicContact CG1-CG 4.02Å; V669-L673 WeakPolarHBondContact O-CB 3.47Å; V669-L673 PolarHBondContact O-N 2.84Å; V669-I678 HydrophobicContact CG1-CG1 4.27Å; V669-I678 HydrophobicContact CG1-CG2 4.2Å
670A76.2Confident75.8Confident56 Ų5657.9 Ų57.946%0.46330%0.3SS..Hα-helixtrans-66.6-23.6178.700000114G666 V667 K672 I678G666-A670 WeakPolarHBondContact O-CB 3.47Å; G666-A670 PolarHBondContact O-N 3.38Å; V667-A670 PolarHBondContact O-N 3.43Å; A670-K672 VanDerWaalsContact C-N 3.26Å; A670-K672 PolarHBondContact O-N 3.06Å; A670-I678 HydrophobicContact CB-CD1 3.9Å
671E73.9Confident77.2Confident146 Ų14659.9 Ų59.968%0.68231%0.306SS*.THydrogen-bonded Turntrans-71.7-19.5173.2-75.7-177.5171.400113.1V667 V669V667-E671 PolarHBondContact O-N 3.13Å; V669-E671 VanDerWaalsContact C-N 3.26Å; V669-E671 PolarHBondContact O-N 3.02Å
672K73.3Confident78.2Confident65 Ų6561.7 Ų61.728%0.28332%0.315SS..THydrogen-bonded Turntrans-118.2-20.9-168.4-59.6-170.3-175.6-1620114.6D461 A602 T605 V669 A670D461-K672 VanDerWaalsContact OD2-CE 3.25Å; D461-K672 WeakPolarHBondContact OD2-CE 3.34Å; D461-K672 IonicContact OD2-NZ 2.71Å; D461-K672 PolarHBondContact OD2-NZ 3.06Å; A602-K672 HydrophobicContact CB-CB 4.21Å; A602-K672 HydrophobicContact CB-CD 4.36Å; T605-K672 PolarHBondContact OG1-NZ 3.44Å; V669-K672 PolarHBondContact O-N 3.46Å; V669-K672 VanDerWaalsContact O-N 3.08Å; A670-K672 VanDerWaalsContact C-N 3.26Å; A670-K672 PolarHBondContact O-N 3.06Å
673L81.4Confident79.1Confident13 Ų1360.2 Ų60.27%0.06831%0.306CS..SBendtrans-120.1147.8-171.9-64.8-171.6000111.2K598 I599 A602 V669 E677 I678K598-L673 HydrophobicContact CG-CD2 4.24Å; I599-L673 HydrophobicContact CB-CD1 4.17Å; I599-L673 HydrophobicContact CG1-CD1 4.05Å; I599-L673 HydrophobicContact CG1-CD2 4.44Å; I599-L673 HydrophobicContact CG2-CD1 3.79Å; A602-L673 HydrophobicContact CB-CD1 4.29Å; A602-L673 HydrophobicContact CB-CD2 3.78Å; A602-L673 HydrophobicContact CB-CG 3.99Å; V669-L673 HydrophobicContact CG1-CB 4.36Å; V669-L673 HydrophobicContact CG1-CD1 3.38Å; V669-L673 HydrophobicContact CG1-CG 4.02Å; V669-L673 WeakPolarHBondContact O-CB 3.47Å; V669-L673 PolarHBondContact O-N 2.84Å; L673-E677 HydrophobicContact CB-CB 3.97Å; L673-E677 HydrophobicContact CD1-CB 4.28Å; L673-E677 HydrophobicContact CD2-CB 4.48Å; L673-E677 HydrophobicContact CG-CB 4.49Å; L673-I678 HydrophobicContact CB-CG1 4.06Å
674A79Confident80.1Confident40 Ų4056.8 Ų56.833%0.33129%0.291SS..  trans-65.9155.816900000110.2F676 E677 I678A674-F676 HydrophobicContact CB-CD1 3.89Å; A674-F676 HydrophobicContact CB-CE1 3.47Å; A674-F676 VanDerWaalsContact CB-CE1 3.47Å; A674-F676 HydrophobicContact CB-CZ 3.95Å; A674-F676 PolarHBondContact O-N 3.27Å; A674-F676 VanDerWaalsContact O-N 3.11Å; A674-E677 HydrophobicContact CB-CG 4.15Å; A674-E677 PolarHBondContact N-OE2 3.34Å; A674-E677 WeakPolarHBondContact O-CA 3.38Å; A674-E677 WeakPolarHBondContact O-CB 3.44Å; A674-E677 PolarHBondContact O-N 2.84Å; A674-I678 PolarHBondContact O-N 3.32Å
675K83.6Confident81.1Confident192 Ų19254 Ų5484%0.83528%0.278SS*.THydrogen-bonded Turntrans-55-37.4-173.2-171.1179.8178.5-176.50113.7E677K675-E677 VanDerWaalsContact C-N 3.34Å
676F83.4Confident81.5Confident67 Ų6761.2 Ų61.229%0.29431%0.31SS..THydrogen-bonded Turntrans-76.2-20.417963.7-93.1000113.4L588 E592 V594 A674L588-F676 HydrophobicContact CD1-CD2 4.41Å; E592-F676 HydrophobicContact CB-CD2 4.24Å; E592-F676 HydrophobicContact CB-CE2 4.19Å; E592-F676 WeakPolarHBondContact OE2-CB 3.39Å; E592-F676 WeakPolarHBondContact OE2-CG 3.15Å; V594-F676 HydrophobicContact CG2-CD2 3.82Å; V594-F676 HydrophobicContact CG2-CE2 3.97Å; A674-F676 HydrophobicContact CB-CD1 3.89Å; A674-F676 HydrophobicContact CB-CE1 3.47Å; A674-F676 VanDerWaalsContact CB-CE1 3.47Å; A674-F676 HydrophobicContact CB-CZ 3.95Å; A674-F676 PolarHBondContact O-N 3.27Å; A674-F676 VanDerWaalsContact O-N 3.11Å
677E85.3Confident81.8Confident9 Ų965.6 Ų65.64%0.04232%0.323CS..THydrogen-bonded Turntrans-82.5-17.8176.9-62.7180132.500112.3K598 I599 L673 A674 K675 P679K598-E677 WeakPolarHBondContact CD-OE1 3.41Å; K598-E677 WeakPolarHBondContact CE-OE1 3.27Å; K598-E677 IonicContact NZ-OE1 2.62Å; K598-E677 PolarHBondContact NZ-OE1 3.27Å; K598-E677 IonicContact NZ-OE2 3.37Å; K598-E677 PolarHBondContact NZ-OE2 3.31Å; I599-E677 HydrophobicContact CD1-CB 3.97Å; I599-E677 WeakPolarHBondContact CD1-O 3.27Å; I599-E677 HydrophobicContact CG1-CB 4.04Å; L673-E677 HydrophobicContact CB-CB 3.97Å; L673-E677 HydrophobicContact CD1-CB 4.28Å; L673-E677 HydrophobicContact CD2-CB 4.48Å; L673-E677 HydrophobicContact CG-CB 4.49Å; A674-E677 HydrophobicContact CB-CG 4.15Å; A674-E677 PolarHBondContact N-OE2 3.34Å; A674-E677 WeakPolarHBondContact O-CA 3.38Å; A674-E677 WeakPolarHBondContact O-CB 3.44Å; A674-E677 PolarHBondContact O-N 2.84Å; K675-E677 VanDerWaalsContact C-N 3.34Å; E677-P679 WeakPolarHBondContact O-CD 3.42Å
678I88.4Confident82.3Confident45 Ų4566.1 Ų66.123%0.23132%0.323CS..SBendtrans-72.8123.4-178.9-58.3172.1000109.3V669 A670 L673 A674 K680V669-I678 HydrophobicContact CG1-CG1 4.27Å; V669-I678 HydrophobicContact CG1-CG2 4.2Å; A670-I678 HydrophobicContact CB-CD1 3.9Å; L673-I678 HydrophobicContact CB-CG1 4.06Å; A674-I678 PolarHBondContact O-N 3.32Å; I678-K680 PolarHBondContact O-N 3.47Å; I678-K680 VanDerWaalsContact O-N 3.15Å
679P88.8Confident83.1Confident9 Ų965.2 Ų65.26%0.05832%0.318CS..  trans-58.1121.6176.6-24.834.1000111.8I599 I603 V623 A625 F665 E677 I682I599-P679 HydrophobicContact CG2-CG 4.13Å; I603-P679 HydrophobicContact CD1-CG 3.82Å; V623-P679 HydrophobicContact CG1-CG 4.28Å; V623-P679 CarbonylContact O-C 3.5Å; V623-P679 VanDerWaalsContact O-CA 3.29Å; V623-P679 WeakPolarHBondContact O-CA 3.44Å; A625-P679 HydrophobicContact CB-CB 3.92Å; A625-P679 HydrophobicContact CB-CG 3.95Å; F665-P679 HydrophobicContact CZ-CG 4.49Å; E677-P679 WeakPolarHBondContact O-CD 3.42Å; P679-I682 HydrophobicContact CB-CG1 4.21Å
680K86.7Confident83.4Confident148 Ų14866.9 Ų66.964%0.64333%0.33SS*.SBendtrans-78.2-31-178.2-167.3175.6-176.7179.50112.1F622 V623 I678F622-K680 HydrophobicContact CB-CB 3.9Å; F622-K680 HydrophobicContact CB-CD 3.85Å; F622-K680 HydrophobicContact CD1-CD 4Å; F622-K680 HydrophobicContact CD2-CB 3.62Å; F622-K680 HydrophobicContact CD2-CD 4.03Å; F622-K680 HydrophobicContact CD2-CG 4.36Å; F622-K680 HydrophobicContact CE2-CB 4.41Å; F622-K680 HydrophobicContact CG-CB 3.94Å; F622-K680 HydrophobicContact CG-CD 3.69Å; F622-K680 HydrophobicContact CG-CG 4.44Å; V623-K680 PolarHBondContact O-N 2.97Å; I678-K680 PolarHBondContact O-N 3.47Å; I678-K680 VanDerWaalsContact O-N 3.15Å
681K87Confident83.3Confident61 Ų6165.7 Ų65.727%0.26532%0.318SS..EExtended strand (participates in β ladder)trans-132.1141.4176-67.1175.9172.6-170.90109.8F622 V624 A625 L718 V720 F721F622-K681 HydrophobicContact CE2-CD 4.38Å; V624-K681 VanDerWaalsContact CA-O 3.27Å; V624-K681 WeakPolarHBondContact CA-O 3.32Å; V624-K681 WeakPolarHBondContact CB-O 3.44Å; V624-K681 HydrophobicContact CG1-CB 4.05Å; A625-K681 PolarHBondContact N-O 3.21Å; A625-K681 VanDerWaalsContact N-O 3.12Å; K681-L718 HydrophobicContact CB-CD2 4.01Å; K681-L718 WeakPolarHBondContact CD-O 3.31Å; K681-L718 WeakPolarHBondContact CE-O 3.43Å; K681-L718 PolarHBondContact NZ-O 3.28Å; K681-V720 PolarHBondContact NZ-O 3.31Å; K681-F721 PolarHBondContact NZ-OXT 2.86Å
682I87.4Confident83.1Confident37 Ų3767.5 Ų67.519%0.1933%0.326CS..EExtended strand (participates in β ladder)trans-132.7136.8-176.1-55.4168.3000109A625 V627 F661 F665 P679A625-I682 HydrophobicContact CB-CG1 4.49Å; A625-I682 CarbonylContact O-C 3.59Å; A625-I682 VanDerWaalsContact O-CA 3.31Å; A625-I682 WeakPolarHBondContact O-CA 3.44Å; V627-I682 HydrophobicContact CB-CG2 4.02Å; V627-I682 HydrophobicContact CG2-CG2 3.58Å; F661-I682 HydrophobicContact CE1-CD1 4.38Å; F661-I682 HydrophobicContact CE1-CG2 4.32Å; F665-I682 HydrophobicContact CD1-CD1 3.45Å; F665-I682 VanDerWaalsContact CD1-CD1 3.45Å; F665-I682 HydrophobicContact CD2-CD1 4.4Å; F665-I682 HydrophobicContact CE1-CD1 3.21Å; F665-I682 HydrophobicContact CE1-CG1 4.33Å; F665-I682 HydrophobicContact CE2-CD1 4.15Å; F665-I682 HydrophobicContact CG-CD1 4.07Å; F665-I682 HydrophobicContact CZ-CD1 3.57Å; F665-I682 HydrophobicContact CZ-CG1 4.47Å; P679-I682 HydrophobicContact CB-CG1 4.21Å
683H88.7Confident83.4Confident48 Ų4866.9 Ų66.922%0.22233%0.33CS..EExtended strand (participates in β ladder)trans-108.1130.1168.9-17789.8000110.6A625 L626 V627 V714 L718A625-H683 PolarHBondContact O-N 2.85Å; L626-H683 HydrophobicContact CD2-CB 3.81Å; V627-H683 PolarHBondContact N-O 3.15Å; H683-V714 HydrophobicContact CB-CG1 3.92Å; H683-V714 VanDerWaalsContact CG-CG1 3.43Å; H683-V714 VanDerWaalsContact ND1-CG1 3.32Å; H683-V714 WeakPolarHBondContact ND1-CG1 3.23Å; H683-L718 HydrophobicContact CB-CD1 4.03Å; H683-L718 HydrophobicContact CB-CD2 4.37Å
684L87.8Confident83.3Confident48 Ų4867.5 Ų67.525%0.25134%0.339SS..EExtended strand (participates in β ladder)trans-89106.4173.5-63.2-179.5000110V627 F661V627-L684 HydrophobicContact CB-CD2 4.06Å; V627-L684 HydrophobicContact CG1-CD2 3.98Å; V627-L684 CarbonylContact O-C 3.6Å; V627-L684 WeakPolarHBondContact O-CA 3.5Å; F661-L684 HydrophobicContact CD1-CD2 3.9Å; F661-L684 HydrophobicContact CD2-CD2 4.22Å; F661-L684 HydrophobicContact CE1-CD2 3.91Å; F661-L684 HydrophobicContact CE2-CD2 4.21Å; F661-L684 HydrophobicContact CG-CD1 4.43Å; F661-L684 HydrophobicContact CG-CD2 4.09Å; F661-L684 HydrophobicContact CZ-CD2 4.09Å
685C88.5Confident83.5Confident3 Ų366.5 Ų66.52%0.0233%0.328CS..  trans-65.3137.3177.2-61.20000110.6V627 V628 P629 Y711V627-C685 PolarHBondContact O-N 3.49Å; V628-C685 HydrophobicContact CG2-CB 3.94Å; P629-C685 VanDerWaalsContact CD-O 3.28Å; P629-C685 WeakPolarHBondContact CD-O 3.4Å; C685-Y711 HydrophobicContact CB-CE1 4.29Å
686K80.4Confident83.4Confident156 Ų15657.4 Ų57.468%0.67829%0.288SS*.SBendtrans-82.4-35.8177.8-68.2-179.1179.2177.80112.4K631K631-K686 PolarHBondContact NZ-O 2.89Å
687E78.9Confident82.8Confident119 Ų11955.5 Ų55.556%0.55628%0.282SS*.SBendtrans-78.7143.8-176.4-63.7173.2-16900110.5
688N82.3Confident81.7Confident98 Ų9857.4 Ų57.452%0.52429%0.291SS..PPolyproline II helixtrans-84.6131.7170.5-69.7-5.6000107.8K631K631-N688 WeakPolarHBondContact CE-OD1 3.4Å; K631-N688 PolarHBondContact NZ-OD1 2.84Å; K631-N688 VanDerWaalsContact NZ-OD1 3.15Å
689W87.8Confident80.5Confident9 Ų955.5 Ų55.53%0.03428%0.283CS..PPolyproline II helixtrans-83.2135.6174.3-63-6.5000110.3F611 C613 L626 V628 M695 L696 L702 I707 Y711F611-W689 HydrophobicContact CB-CE3 3.78Å; F611-W689 HydrophobicContact CB-CZ3 4.21Å; F611-W689 HydrophobicContact CD2-CB 4.06Å; F611-W689 HydrophobicContact CE2-CB 4.44Å; F611-W689 WeakPolarHBondContact CE2-O 3.42Å; F611-W689 HydrophobicContact CG-CE3 4.41Å; C613-W689 HydrophobicContact CB-CH2 3.6Å; C613-W689 HydrophobicContact CB-CZ3 3.84Å; L626-W689 HydrophobicContact CB-CH2 4.15Å; L626-W689 HydrophobicContact CB-CZ2 4.38Å; V628-W689 HydrophobicContact CG2-CB 4.46Å; V628-W689 HydrophobicContact CG2-CD2 3.45Å; V628-W689 VanDerWaalsContact CG2-CD2 3.45Å; V628-W689 VanDerWaalsContact CG2-CE2 3.49Å; V628-W689 HydrophobicContact CG2-CE3 3.93Å; V628-W689 HydrophobicContact CG2-CG 3.68Å; V628-W689 HydrophobicContact CG2-CH2 4.42Å; V628-W689 HydrophobicContact CG2-CZ2 4.01Å; V628-W689 HydrophobicContact CG2-CZ3 4.37Å; W689-M695 HydrophobicContact CB-CB 3.8Å; W689-M695 HydrophobicContact CB-CG 4.44Å; W689-M695 HydrophobicContact CD2-CB 4.17Å; W689-M695 HydrophobicContact CG-CB 3.74Å; W689-M695 HydrophobicContact CG-CG 4.04Å; W689-L696 HydrophobicContact CB-CD1 4.18Å; W689-L696 HydrophobicContact CB-CG 4.13Å; W689-L702 HydrophobicContact CE3-CD2 3.99Å; W689-L702 HydrophobicContact CZ3-CD2 3.76Å; W689-I707 HydrophobicContact CE3-CD1 4.02Å; W689-I707 HydrophobicContact CH2-CD1 3.99Å; W689-I707 HydrophobicContact CH2-CG1 4.33Å; W689-I707 HydrophobicContact CH2-CG2 3.79Å; W689-I707 HydrophobicContact CZ2-CG1 4.47Å; W689-I707 HydrophobicContact CZ2-CG2 3.92Å; W689-I707 HydrophobicContact CZ3-CD1 3.69Å; W689-I707 HydrophobicContact CZ3-CG1 4.42Å; W689-Y711 HydrophobicContact CZ2-CE2 4.08Å; W689-Y711 AromaticContact NE1-CE2 3.86Å; W689-Y711 AromaticContact NE1-CZ 3.99Å; W689-Y711 PolarHBondContact NE1-OH 3.05Å
690S81.8Confident79.7Confident36 Ų3656.9 Ų56.925%0.25229%0.289SS..  trans-143.9175.2174.263.30000109.9E692 S693 M695 L696S690-E692 VanDerWaalsContact C-N 3.34Å; S690-S693 PolarHBondContact N-OG 2.98Å; S690-S693 PolarHBondContact O-OG 3.33Å; S690-S693 VanDerWaalsContact O-OG 3.13Å; S690-S693 PolarHBondContact OG-N 3.12Å; S690-M695 PolarHBondContact O-N 3.27Å; S690-L696 PolarHBondContact O-N 2.98Å; S690-L696 VanDerWaalsContact O-N 3.15Å
691S74Confident79.1Confident31 Ų3152.9 Ų52.922%0.21727%0.272CS..THydrogen-bonded Turntrans-67.1-38.6169.253.20000111.6S693 G694 L696 E698S691-S693 VanDerWaalsContact C-N 3.33Å; S691-S693 PolarHBondContact O-N 3.16Å; S691-G694 PolarHBondContact O-N 3.22Å; S691-L696 WeakPolarHBondContact CA-O 3.44Å; S691-E698 WeakPolarHBondContact CB-OE1 3.1Å; S691-E698 PolarHBondContact OG-OE1 2.87Å
692E70.4Confident78.9Confident184 Ų18452 Ų5286%0.8627%0.27SS*.THydrogen-bonded Turntrans-59.5-38.9173.3-62.3165.9177.100112.7S690 G694S690-E692 VanDerWaalsContact C-N 3.34Å; E692-G694 PolarHBondContact O-N 3.26Å
693S79.9Confident78.6Confident52 Ų5253.6 Ų53.636%0.36428%0.275SS..THydrogen-bonded Turntrans-74.3-0.1176.984.90000113.1S690 S691 M695S690-S693 PolarHBondContact N-OG 2.98Å; S690-S693 PolarHBondContact O-OG 3.33Å; S690-S693 VanDerWaalsContact O-OG 3.13Å; S690-S693 PolarHBondContact OG-N 3.12Å; S691-S693 VanDerWaalsContact C-N 3.33Å; S691-S693 PolarHBondContact O-N 3.16Å; S693-M695 PolarHBondContact O-N 2.85Å; S693-M695 WeakPolarHBondContact OG-CG 3.48Å
694G78.7Confident78.5Confident25 Ų2553.3 Ų53.326%0.25827%0.272SS..THydrogen-bonded Turntrans714.2-178.100000115.3S691 E692 K703S691-G694 PolarHBondContact O-N 3.22Å; E692-G694 PolarHBondContact O-N 3.26Å; G694-K703 WeakPolarHBondContact O-CD 3.29Å
695M84.2Confident78.1Confident20 Ų2057.6 Ų57.610%0.09929%0.289CS..SBendtrans-90.5-21.3-176.6-61.6-61.5166.100112.9W689 S690 S693 K703 I707 A710W689-M695 HydrophobicContact CB-CB 3.8Å; W689-M695 HydrophobicContact CB-CG 4.44Å; W689-M695 HydrophobicContact CD2-CB 4.17Å; W689-M695 HydrophobicContact CG-CB 3.74Å; W689-M695 HydrophobicContact CG-CG 4.04Å; S690-M695 PolarHBondContact O-N 3.27Å; S693-M695 PolarHBondContact O-N 2.85Å; S693-M695 WeakPolarHBondContact OG-CG 3.48Å; M695-K703 WeakPolarHBondContact O-CB 3.26Å; M695-K703 PolarHBondContact O-N 2.84Å; M695-I707 HydrophobicContact CB-CG1 4.2Å; M695-I707 HydrophobicContact CG-CG1 4.5Å; M695-I707 HydrophobicContact SD-CB 4.42Å; M695-I707 HydrophobicContact SD-CG1 3.7Å; M695-A710 HydrophobicContact CE-CB 3.47Å; M695-A710 VanDerWaalsContact CE-CB 3.47Å; M695-A710 HydrophobicContact SD-CB 4.34Å
696L80.5Confident77.9Confident0 Ų061.8 Ų61.80%031%0.308CS..BIsolated β-bridgetrans-123.1160.1178.2-56.4175.5000111.1F611 W689 S690 S691 L700 K701 L702 K703F611-L696 HydrophobicContact CD1-CD1 4.08Å; F611-L696 HydrophobicContact CD1-CD2 4.27Å; F611-L696 HydrophobicContact CD2-CD1 4.41Å; F611-L696 HydrophobicContact CE1-CD1 3.48Å; F611-L696 VanDerWaalsContact CE1-CD1 3.48Å; F611-L696 HydrophobicContact CE1-CD2 4.34Å; F611-L696 HydrophobicContact CE2-CD1 3.85Å; F611-L696 HydrophobicContact CZ-CD1 3.35Å; W689-L696 HydrophobicContact CB-CD1 4.18Å; W689-L696 HydrophobicContact CB-CG 4.13Å; S690-L696 PolarHBondContact O-N 2.98Å; S690-L696 VanDerWaalsContact O-N 3.15Å; S691-L696 WeakPolarHBondContact CA-O 3.44Å; L696-L700 HydrophobicContact CD1-CD2 4.16Å; L696-K701 CarbonylContact C-O 3.56Å; L696-K701 VanDerWaalsContact CA-O 3.22Å; L696-K701 WeakPolarHBondContact CA-O 3.27Å; L696-L702 HydrophobicContact CD2-CD2 3.77Å; L696-K703 WeakPolarHBondContact O-CE 3.37Å
697T72.3Confident78.4Confident27 Ų2754.4 Ų54.417%0.16628%0.276CS..  trans-81.3170.9162.570.40000110.6A699 L700 K701 K703T697-A699 PolarHBondContact O-N 2.87Å; T697-A699 PolarHBondContact OG1-N 2.77Å; T697-L700 VanDerWaalsContact O-CA 3.3Å; T697-L700 WeakPolarHBondContact O-CA 3.11Å; T697-L700 PolarHBondContact O-N 3.26Å; T697-K701 HydrophobicContact CG2-CB 4.16Å; T697-K701 PolarHBondContact N-O 3.24Å; T697-K701 WeakPolarHBondContact OG1-CB 3.27Å; T697-K701 PolarHBondContact OG1-N 2.71Å; T697-K703 HydrophobicContact CG2-CG 4.02Å
698E62.4Low78.7Confident49 Ų4952.4 Ų52.423%0.22926%0.264CS..THydrogen-bonded Turntrans-59.6-34.3171.7-74.1-54.712100113Y186 T188 P332 S691 L700Y186-E698 HydrophobicContact CD1-CB 3.94Å; Y186-E698 HydrophobicContact CD1-CG 3.89Å; Y186-E698 HydrophobicContact CE1-CB 4.14Å; T188-E698 WeakPolarHBondContact CB-OE1 3.45Å; T188-E698 HydrophobicContact CG2-CG 4.02Å; T188-E698 WeakPolarHBondContact CG2-OE1 3.02Å; T188-E698 WeakPolarHBondContact OG1-CG 3.32Å; T188-E698 PolarHBondContact OG1-OE1 2.87Å; P332-E698 HydrophobicContact CG-CB 3.98Å; S691-E698 WeakPolarHBondContact CB-OE1 3.1Å; S691-E698 PolarHBondContact OG-OE1 2.87Å; E698-L700 PolarHBondContact O-N 3.22Å; E698-L700 VanDerWaalsContact O-N 3.12Å
699A61.7Low78.8Confident6 Ų651.3 Ų51.35%0.0527%0.269CS..THydrogen-bonded Turntrans-76.111.9172.200000112.8T697 K701T697-A699 PolarHBondContact O-N 2.87Å; T697-A699 PolarHBondContact OG1-N 2.77Å; A699-K701 HydrophobicContact CB-CG 4.39Å; A699-K701 PolarHBondContact O-N 2.77Å
700L72.2Confident79Confident37 Ų3753.7 Ų53.719%0.19429%0.29CS..  trans59.327.9179.9-55.7174.4000114.2A388 I389 L696 T697 E698A388-L700 HydrophobicContact CB-CB 3.68Å; A388-L700 HydrophobicContact CB-CD1 4.24Å; I389-L700 HydrophobicContact CD1-CD1 3.74Å; I389-L700 HydrophobicContact CG1-CD1 4.42Å; L696-L700 HydrophobicContact CD1-CD2 4.16Å; T697-L700 VanDerWaalsContact O-CA 3.3Å; T697-L700 WeakPolarHBondContact O-CA 3.11Å; T697-L700 PolarHBondContact O-N 3.26Å; E698-L700 PolarHBondContact O-N 3.22Å; E698-L700 VanDerWaalsContact O-N 3.12Å
701K74.6Confident79.4Confident64 Ų6452.9 Ų52.928%0.27828%0.282SS..  trans-83.7147.2173.3-57.3178.6-176.31790110.3G455 L696 T697 A699 K703G455-K701 WeakPolarHBondContact O-CE 3.42Å; G455-K701 PolarHBondContact O-NZ 3.36Å; L696-K701 CarbonylContact C-O 3.56Å; L696-K701 VanDerWaalsContact CA-O 3.22Å; L696-K701 WeakPolarHBondContact CA-O 3.27Å; T697-K701 HydrophobicContact CG2-CB 4.16Å; T697-K701 PolarHBondContact N-O 3.24Å; T697-K701 WeakPolarHBondContact OG1-CB 3.27Å; T697-K701 PolarHBondContact OG1-N 2.71Å; A699-K701 HydrophobicContact CB-CG 4.39Å; A699-K701 PolarHBondContact O-N 2.77Å; K701-K703 PolarHBondContact O-N 3.36Å
702L83.3Confident80.1Confident44 Ų4458.1 Ų58.123%0.2330%0.301CS..BIsolated β-bridgetrans-65.8129.6178.9-61.3172000111.7V612 C613 W689 L696 R704 I707V612-L702 WeakPolarHBondContact O-CD1 3.37Å; C613-L702 HydrophobicContact CB-CD1 4.36Å; W689-L702 HydrophobicContact CE3-CD2 3.99Å; W689-L702 HydrophobicContact CZ3-CD2 3.76Å; L696-L702 HydrophobicContact CD2-CD2 3.77Å; L702-R704 HydrophobicContact CB-CG 4.43Å; L702-R704 PolarHBondContact O-N 3.33Å; L702-I707 HydrophobicContact CB-CD1 4.19Å; L702-I707 HydrophobicContact CD2-CD1 3.97Å
703K80.4Confident81.1Confident69 Ų6955.8 Ų55.830%0.329%0.294SS..  trans-89.877.9166.3-74.2-175.8174.3-179.10109.1G694 M695 L696 T697 K701 K705 E706 I707G694-K703 WeakPolarHBondContact O-CD 3.29Å; M695-K703 WeakPolarHBondContact O-CB 3.26Å; M695-K703 PolarHBondContact O-N 2.84Å; L696-K703 WeakPolarHBondContact O-CE 3.37Å; T697-K703 HydrophobicContact CG2-CG 4.02Å; K701-K703 PolarHBondContact O-N 3.36Å; K703-K705 VanDerWaalsContact C-N 3.33Å; K703-K705 PolarHBondContact O-N 2.99Å; K703-E706 HydrophobicContact CB-CB 4.14Å; K703-E706 HydrophobicContact CB-CG 4.27Å; K703-E706 WeakPolarHBondContact CB-OE2 3.41Å; K703-E706 PolarHBondContact O-N 3.28Å; K703-I707 WeakPolarHBondContact O-CG1 3.27Å; K703-I707 PolarHBondContact O-N 2.9Å
704R87.5Confident81.6Confident43 Ų4355.6 Ų55.616%0.16229%0.29CS..Hα-helixtrans-52.8-47.4-169.7-69.2-174.5-174.9-66.1-8.1112.2D584 E600 L702 E706 I707 Y708D584-R704 IonicContact OD1-NE 2.92Å; D584-R704 PolarHBondContact OD1-NE 2.99Å; E600-R704 VanDerWaalsContact CD-NH2 3.32Å; E600-R704 IonicContact OE1-CZ 3.36Å; E600-R704 IonicContact OE1-NH1 2.68Å; E600-R704 PolarHBondContact OE1-NH1 2.84Å; E600-R704 IonicContact OE1-NH2 3.22Å; E600-R704 PolarHBondContact OE1-NH2 3.46Å; E600-R704 IonicContact OE2-CZ 3.4Å; E600-R704 IonicContact OE2-NH1 3.44Å; E600-R704 IonicContact OE2-NH2 3.67Å; E600-R704 PolarHBondContact OE2-NH2 2.9Å; L702-R704 HydrophobicContact CB-CG 4.43Å; L702-R704 PolarHBondContact O-N 3.33Å; R704-E706 VanDerWaalsContact C-N 3.32Å; R704-E706 PolarHBondContact O-N 3.44Å; R704-I707 PolarHBondContact O-N 3.45Å; R704-Y708 HydrophobicContact CB-CD2 4.32Å; R704-Y708 HydrophobicContact CB-CE2 4.42Å; R704-Y708 WeakPolarHBondContact O-CB 3.49Å; R704-Y708 WeakPolarHBondContact O-CD2 3.41Å; R704-Y708 PolarHBondContact O-N 3.37Å
705K79.2Confident82.2Confident137 Ų13755 Ų5560%0.59628%0.282SS*.Hα-helixtrans-61.2-42.2-175.2-175.9-178.9177.1-175.40111.8K703 Y708 A709K703-K705 VanDerWaalsContact C-N 3.33Å; K703-K705 PolarHBondContact O-N 2.99Å; K705-Y708 PolarHBondContact O-N 2.62Å; K705-A709 WeakPolarHBondContact O-CB 2.91Å; K705-A709 PolarHBondContact O-N 3.11Å
706E84.3Confident82.3Confident92 Ų9257.2 Ų57.243%0.4330%0.299SS..Hα-helixtrans-66.9-42.6177.5-65.776.2-179.700110.6K703 R704 A709 A710K703-E706 HydrophobicContact CB-CB 4.14Å; K703-E706 HydrophobicContact CB-CG 4.27Å; K703-E706 WeakPolarHBondContact CB-OE2 3.41Å; K703-E706 PolarHBondContact O-N 3.28Å; R704-E706 VanDerWaalsContact C-N 3.32Å; R704-E706 PolarHBondContact O-N 3.44Å; E706-A709 PolarHBondContact O-N 3.06Å; E706-A710 WeakPolarHBondContact O-CB 3.42Å; E706-A710 PolarHBondContact O-N 3.37Å
707I89.6Confident82.7Confident0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-62.2-45.7173-65.7163.4000110.9C613 L626 W689 M695 L702 K703 R704 A709 A710 Y711C613-I707 HydrophobicContact CB-CD1 4.33Å; C613-I707 HydrophobicContact CB-CG2 4.06Å; L626-I707 HydrophobicContact CD1-CG2 3.76Å; W689-I707 HydrophobicContact CE3-CD1 4.02Å; W689-I707 HydrophobicContact CH2-CD1 3.99Å; W689-I707 HydrophobicContact CH2-CG1 4.33Å; W689-I707 HydrophobicContact CH2-CG2 3.79Å; W689-I707 HydrophobicContact CZ2-CG1 4.47Å; W689-I707 HydrophobicContact CZ2-CG2 3.92Å; W689-I707 HydrophobicContact CZ3-CD1 3.69Å; W689-I707 HydrophobicContact CZ3-CG1 4.42Å; M695-I707 HydrophobicContact CB-CG1 4.2Å; M695-I707 HydrophobicContact CG-CG1 4.5Å; M695-I707 HydrophobicContact SD-CB 4.42Å; M695-I707 HydrophobicContact SD-CG1 3.7Å; L702-I707 HydrophobicContact CB-CD1 4.19Å; L702-I707 HydrophobicContact CD2-CD1 3.97Å; K703-I707 WeakPolarHBondContact O-CG1 3.27Å; K703-I707 PolarHBondContact O-N 2.9Å; R704-I707 PolarHBondContact O-N 3.45Å; I707-A709 VanDerWaalsContact C-N 3.32Å; I707-A709 PolarHBondContact O-N 3Å; I707-A710 PolarHBondContact O-N 3.02Å; I707-Y711 HydrophobicContact CG2-CD2 4.18Å; I707-Y711 WeakPolarHBondContact O-CD2 3.36Å; I707-Y711 PolarHBondContact O-N 3.39Å
708Y85.5Confident83.4Confident77 Ų7759.3 Ų59.330%0.30232%0.32SS..Hα-helixtrans-58.6-43.9176.1-91.5-78.2000111.6I615 R704 K705 K712 I715I615-Y708 HydrophobicContact CB-CE1 4.48Å; I615-Y708 HydrophobicContact CD1-CD1 3.87Å; I615-Y708 HydrophobicContact CD1-CD2 4.3Å; I615-Y708 HydrophobicContact CD1-CE1 3.37Å; I615-Y708 HydrophobicContact CD1-CE2 3.82Å; I615-Y708 HydrophobicContact CD1-CG 4.3Å; I615-Y708 HydrophobicContact CG1-CE1 4.42Å; I615-Y708 HydrophobicContact CG2-CE1 3.65Å; I615-Y708 WeakPolarHBondContact CG2-OH 3.45Å; R704-Y708 HydrophobicContact CB-CD2 4.32Å; R704-Y708 HydrophobicContact CB-CE2 4.42Å; R704-Y708 WeakPolarHBondContact O-CB 3.49Å; R704-Y708 WeakPolarHBondContact O-CD2 3.41Å; R704-Y708 PolarHBondContact O-N 3.37Å; K705-Y708 PolarHBondContact O-N 2.62Å; Y708-K712 WeakPolarHBondContact O-CA 3.37Å; Y708-K712 PolarHBondContact O-N 3.43Å; Y708-I715 HydrophobicContact CD1-CD1 3.68Å; Y708-I715 HydrophobicContact CE1-CD1 4.2Å; Y708-I715 HydrophobicContact CG-CD1 4.39Å
709A85.7Confident84.5Confident75 Ų7558 Ų5862%0.6231%0.313SS*.Hα-helixtrans-64-45.4178.200000111.5K705 E706 I707 Y711K705-A709 WeakPolarHBondContact O-CB 2.91Å; K705-A709 PolarHBondContact O-N 3.11Å; E706-A709 PolarHBondContact O-N 3.06Å; I707-A709 VanDerWaalsContact C-N 3.32Å; I707-A709 PolarHBondContact O-N 3Å; A709-Y711 VanDerWaalsContact C-N 3.35Å; A709-Y711 PolarHBondContact O-N 3.44Å
710A90Very high85.3Confident59 Ų5962.5 Ų62.549%0.48834%0.34SS..Hα-helixtrans-69.2-29.6-178.500000113.9M695 E706 I707M695-A710 HydrophobicContact CE-CB 3.47Å; M695-A710 VanDerWaalsContact CE-CB 3.47Å; M695-A710 HydrophobicContact SD-CB 4.34Å; E706-A710 WeakPolarHBondContact O-CB 3.42Å; E706-A710 PolarHBondContact O-N 3.37Å; I707-A710 PolarHBondContact O-N 3.02Å
711Y91.6Very high84.5Confident20 Ų2072.3 Ų72.38%0.07838%0.382CS..THydrogen-bonded Turntrans-111.217.2-177.1-70.3-92.1000113.4L626 C685 W689 I707 A709 D713 V714 I715L626-Y711 HydrophobicContact CD1-CD1 4.24Å; L626-Y711 HydrophobicContact CD1-CD2 4.04Å; L626-Y711 HydrophobicContact CD1-CG 3.69Å; L626-Y711 HydrophobicContact CD2-CD1 4.41Å; C685-Y711 HydrophobicContact CB-CE1 4.29Å; W689-Y711 HydrophobicContact CZ2-CE2 4.08Å; W689-Y711 AromaticContact NE1-CE2 3.86Å; W689-Y711 AromaticContact NE1-CZ 3.99Å; W689-Y711 PolarHBondContact NE1-OH 3.05Å; I707-Y711 HydrophobicContact CG2-CD2 4.18Å; I707-Y711 WeakPolarHBondContact O-CD2 3.36Å; I707-Y711 PolarHBondContact O-N 3.39Å; A709-Y711 VanDerWaalsContact C-N 3.35Å; A709-Y711 PolarHBondContact O-N 3.44Å; Y711-D713 VanDerWaalsContact C-N 3.33Å; Y711-D713 PolarHBondContact O-N 3.06Å; Y711-V714 HydrophobicContact CD1-CB 4.41Å; Y711-V714 HydrophobicContact CD1-CG2 4.32Å; Y711-V714 WeakPolarHBondContact O-CB 3.09Å; Y711-V714 PolarHBondContact O-N 3.48Å; Y711-I715 VanDerWaalsContact O-CG1 3.3Å; Y711-I715 WeakPolarHBondContact O-CG1 3.4Å; Y711-I715 PolarHBondContact O-N 2.91Å
712K89.1Confident85Confident140 Ų14072.8 Ų72.861%0.60939%0.387SS*.Hα-helixtrans-51.6-46.9-173-173.2-179.8177.7-175.70113.7Y708 I715 S716Y708-K712 WeakPolarHBondContact O-CA 3.37Å; Y708-K712 PolarHBondContact O-N 3.43Å; K712-I715 PolarHBondContact O-N 3.36Å; K712-S716 WeakPolarHBondContact O-CB 3.49Å; K712-S716 PolarHBondContact O-N 3.27Å; K712-S716 PolarHBondContact O-OG 3.1Å
713D90.7Very high85.1Confident136 Ų13674.3 Ų74.373%0.72740%0.395SS*.Hα-helixtrans-69.3-39.4-179-60.7-29.3000111.7Y711 S716 G717Y711-D713 VanDerWaalsContact C-N 3.33Å; Y711-D713 PolarHBondContact O-N 3.06Å; D713-S716 PolarHBondContact O-N 3.35Å; D713-G717 PolarHBondContact O-N 3.38Å
714V90.6Very high85.4Confident47 Ų4774.6 Ų74.629%0.28540%0.401SS..Hα-helixtrans-63.6-46.2176.3176.30000110.6L626 H683 Y711 S716 G717 L718L626-V714 HydrophobicContact CD2-CG1 4.23Å; H683-V714 HydrophobicContact CB-CG1 3.92Å; H683-V714 VanDerWaalsContact CG-CG1 3.43Å; H683-V714 VanDerWaalsContact ND1-CG1 3.32Å; H683-V714 WeakPolarHBondContact ND1-CG1 3.23Å; Y711-V714 HydrophobicContact CD1-CB 4.41Å; Y711-V714 HydrophobicContact CD1-CG2 4.32Å; Y711-V714 WeakPolarHBondContact O-CB 3.09Å; Y711-V714 PolarHBondContact O-N 3.48Å; V714-S716 VanDerWaalsContact C-N 3.33Å; V714-S716 PolarHBondContact O-N 2.8Å; V714-G717 PolarHBondContact O-N 3.11Å; V714-L718 HydrophobicContact CG1-CD1 4.44Å; V714-L718 WeakPolarHBondContact O-CG 3.39Å; V714-L718 PolarHBondContact O-N 3.5Å
715I89.8Confident85.2Confident14 Ų1476.4 Ų76.47%0.07242%0.415CS..Hα-helixtrans-60.7-45.7178.6-69.3162.4000110.3I615 L626 Y708 Y711 K712 G717 L718 Y719I615-I715 HydrophobicContact CD1-CD1 3.72Å; I615-I715 HydrophobicContact CD1-CG1 4.23Å; I615-I715 HydrophobicContact CG1-CD1 4.35Å; I615-I715 HydrophobicContact CG1-CG1 4.32Å; I615-I715 HydrophobicContact CG2-CG2 3.84Å; L626-I715 HydrophobicContact CD1-CD1 4.22Å; L626-I715 HydrophobicContact CD1-CG1 4.26Å; L626-I715 HydrophobicContact CD2-CG1 4.41Å; Y708-I715 HydrophobicContact CD1-CD1 3.68Å; Y708-I715 HydrophobicContact CE1-CD1 4.2Å; Y708-I715 HydrophobicContact CG-CD1 4.39Å; Y711-I715 VanDerWaalsContact O-CG1 3.3Å; Y711-I715 WeakPolarHBondContact O-CG1 3.4Å; Y711-I715 PolarHBondContact O-N 2.91Å; K712-I715 PolarHBondContact O-N 3.36Å; I715-G717 VanDerWaalsContact C-N 3.33Å; I715-G717 PolarHBondContact O-N 2.77Å; I715-L718 WeakPolarHBondContact O-CB 3.31Å; I715-L718 PolarHBondContact O-N 3.3Å; I715-L718 VanDerWaalsContact O-N 3.14Å; I715-Y719 HydrophobicContact CG2-CD2 4.19Å; I715-Y719 HydrophobicContact CG2-CE2 4.14Å; I715-Y719 WeakPolarHBondContact O-CD2 3.13Å; I715-Y719 PolarHBondContact O-N 3.19Å
716S87.4Confident85.6Confident66 Ų6672.6 Ų72.646%0.46240%0.403SS..Hα-helixtrans-59.6-45.8177.7-56.10000110.6K712 D713 V714 L718 Y719 V720K712-S716 WeakPolarHBondContact O-CB 3.49Å; K712-S716 PolarHBondContact O-N 3.27Å; K712-S716 PolarHBondContact O-OG 3.1Å; D713-S716 PolarHBondContact O-N 3.35Å; V714-S716 VanDerWaalsContact C-N 3.33Å; V714-S716 PolarHBondContact O-N 2.8Å; S716-L718 VanDerWaalsContact C-N 3.3Å; S716-L718 PolarHBondContact O-N 2.94Å; S716-Y719 PolarHBondContact O-N 3.26Å; S716-Y719 VanDerWaalsContact O-N 3.16Å; S716-V720 WeakPolarHBondContact O-CG2 3.22Å; S716-V720 PolarHBondContact O-N 3.18Å
717G89.2Confident85.7Confident49 Ų4971.3 Ų71.351%0.50540%0.402SS..Hα-helixtrans-64.1-27.5176.100000114.7D713 V714 I715 Y719D713-G717 PolarHBondContact O-N 3.38Å; V714-G717 PolarHBondContact O-N 3.11Å; I715-G717 VanDerWaalsContact C-N 3.33Å; I715-G717 PolarHBondContact O-N 2.77Å; G717-Y719 VanDerWaalsContact C-N 3.34Å
718L86.5Confident85.4Confident21 Ų2176.4 Ų76.411%0.1143%0.43CS..Hα-helixtrans-69-34.8174.3-71.2168.9000111.6V624 L626 K681 H683 V714 I715 S716V624-L718 HydrophobicContact CB-CB 4.41Å; V624-L718 HydrophobicContact CB-CD1 4.26Å; V624-L718 HydrophobicContact CG1-CB 4.24Å; V624-L718 HydrophobicContact CG2-CB 4.35Å; V624-L718 HydrophobicContact CG2-CD1 4.11Å; L626-L718 HydrophobicContact CD2-CD1 4.22Å; K681-L718 HydrophobicContact CB-CD2 4.01Å; K681-L718 WeakPolarHBondContact CD-O 3.31Å; K681-L718 WeakPolarHBondContact CE-O 3.43Å; K681-L718 PolarHBondContact NZ-O 3.28Å; H683-L718 HydrophobicContact CB-CD1 4.03Å; H683-L718 HydrophobicContact CB-CD2 4.37Å; V714-L718 HydrophobicContact CG1-CD1 4.44Å; V714-L718 WeakPolarHBondContact O-CG 3.39Å; V714-L718 PolarHBondContact O-N 3.5Å; I715-L718 WeakPolarHBondContact O-CB 3.31Å; I715-L718 PolarHBondContact O-N 3.3Å; I715-L718 VanDerWaalsContact O-N 3.14Å; S716-L718 VanDerWaalsContact C-N 3.3Å; S716-L718 PolarHBondContact O-N 2.94Å
719Y85.8Confident85.4Confident21 Ų2176.4 Ų76.48%0.08244%0.44CS..Hα-helixtrans-84-19.2-179.1-78.4-60.5000114.5I615 C616 S617 H620 F622 V624 I715 S716 G717I615-Y719 HydrophobicContact CG2-CE2 3.93Å; I615-Y719 PolarHBondContact O-OH 3.33Å; C616-Y719 WeakPolarHBondContact CA-OH 3.39Å; S617-Y719 PolarHBondContact N-OH 2.62Å; H620-Y719 HydrophobicContact CB-CD1 3.82Å; H620-Y719 HydrophobicContact CB-CE1 3.65Å; H620-Y719 AromaticContact CD2-CD1 3.15Å; H620-Y719 WeakPolarHBondContact CD2-CD1 3.37Å; H620-Y719 AromaticContact CD2-CE1 3.53Å; H620-Y719 AromaticContact CD2-CG 3.43Å; H620-Y719 VanDerWaalsContact CD2-CG 3.43Å; H620-Y719 AromaticContact CE1-CD1 3.98Å; H620-Y719 AromaticContact CG-CD1 3.3Å; H620-Y719 AromaticContact CG-CE1 3.63Å; H620-Y719 AromaticContact ND1-CD1 3.81Å; H620-Y719 WeakPolarHBondContact NE2-CB 3.35Å; H620-Y719 AromaticContact NE2-CD1 3.63Å; H620-Y719 AromaticContact NE2-CG 3.51Å; F622-Y719 HydrophobicContact CD2-CE1 4.41Å; F622-Y719 AromaticContact CE2-CD1 3.91Å; F622-Y719 HydrophobicContact CE2-CD1 3.91Å; F622-Y719 HydrophobicContact CE2-CE1 4.02Å; F622-Y719 AromaticContact CZ-CD1 3.91Å; F622-Y719 HydrophobicContact CZ-CD1 3.91Å; F622-Y719 HydrophobicContact CZ-CE1 4.38Å; V624-Y719 HydrophobicContact CG1-CD1 4.23Å; V624-Y719 HydrophobicContact CG1-CE1 3.81Å; V624-Y719 HydrophobicContact CG2-CE1 4.31Å; V624-Y719 HydrophobicContact CG2-CE2 3.78Å; I715-Y719 HydrophobicContact CG2-CD2 4.19Å; I715-Y719 HydrophobicContact CG2-CE2 4.14Å; I715-Y719 WeakPolarHBondContact O-CD2 3.13Å; I715-Y719 PolarHBondContact O-N 3.19Å; S716-Y719 PolarHBondContact O-N 3.26Å; S716-Y719 VanDerWaalsContact O-N 3.16Å; G717-Y719 VanDerWaalsContact C-N 3.34Å
720V78Confident85.4Confident102 Ų10276.5 Ų76.562%0.61843%0.425SS*.  trans-74.9140.5171.6179.80000109.7K681 S716K681-V720 PolarHBondContact NZ-O 3.31Å; S716-V720 WeakPolarHBondContact O-CG2 3.22Å; S716-V720 PolarHBondContact O-N 3.18Å
721F55.7Low85Confident243 Ų24378.1 Ų78.1100%1.06642%0.419SS*.  trans-60.40-171.6-95-88.7000113.4K681K681-F721 PolarHBondContact NZ-OXT 2.86Å

Retrieved 721 of 721 residues in 1213.9 ms (Link to these results)

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