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Major vault protein

Structural component of the vault particle, which is a massive ribonucleoprotein complex that may play a role in cargo transport and signal transduction. Oligomerizes to form a cage-like vault complex, which can house several minor vault components including PARP4. Vaults may play a role in nucleo-cytoplasmic transport. Down-regulates IFNG-mediated STAT1 signaling and subsequent activation of JAK. Down-regulates SRC activity and signaling through MAP kinases.

AlphaFold DB (Q14764), UniProt , Accession X5D2M8, Species HUMAN (Homo sapiens, Human), Gene MVP, Length 893 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
1M34.1Very low68.5Low240 Ų240109.2 Ų109.2100%1.18256%0.558SS**  01050-62.3-173.8-170.500105.6T3M1-T3 PolarHBondContact O-N 3.05Å; M1-T3 VanDerWaalsContact O-N 3.17Å
2A43.5Very low70.4Confident95 Ų95106.2 Ų106.279%0.78555%0.551SS**  trans-57.4124.4177.100000107.1E4A2-E4 PolarHBondContact O-N 3.13Å
3T49.2Very low72Confident131 Ų131109.8 Ų109.880%0.80456%0.555SS**  trans-53.3103.1174.240.40000107.6M1 E5M1-T3 PolarHBondContact O-N 3.05Å; M1-T3 VanDerWaalsContact O-N 3.17Å; T3-E5 PolarHBondContact O-N 3.32Å
4E53.1Low73.5Confident108 Ų108104.7 Ų104.751%0.50553%0.528SS..  trans-61.9109.5176.5-71.6-173.8165.400107.5A2 F6 R37A2-E4 PolarHBondContact O-N 3.13Å; E4-F6 PolarHBondContact O-N 3.4Å; E4-R37 IonicContact OE2-CZ 2.78Å; E4-R37 IonicContact OE2-NH2 3.65Å
5E64.6Low74.8Confident142 Ų14298.1 Ų98.166%0.66449%0.494SS*.  trans-58.2121.9-175.1-65.3-178.8160.700110T3 I7T3-E5 PolarHBondContact O-N 3.32Å; E5-I7 PolarHBondContact O-N 3.14Å
6F75.9Confident75.9Confident115 Ų11591.9 Ų91.950%0.50446%0.463SS..SBendtrans-67.6-27176.8-74.3-85.3000112.6E4 I36 R37E4-F6 PolarHBondContact O-N 3.4Å; F6-I36 WeakPolarHBondContact O-CA 3.45Å; F6-R37 PolarHBondContact O-N 3.39Å
7I83.6Confident76.8Confident98 Ų9887.5 Ų87.550%0.50344%0.44SS..EExtended strand (participates in β ladder)trans-117.4109.8-177.4-58.8172.3000107.9E5 T34E5-I7 PolarHBondContact O-N 3.14Å; I7-T34 HydrophobicContact CG2-CG2 3.45Å; I7-T34 VanDerWaalsContact CG2-CG2 3.45Å
8I84.6Confident77.5Confident19 Ų1982.6 Ų82.610%0.09742%0.416CS..EExtended strand (participates in β ladder)trans-108.1114.3-179.9-62.6163.3000107.6I10 I16 Y35 V43 P47I8-I10 HydrophobicContact CG2-CG1 4.39Å; I8-I10 PolarHBondContact O-N 3.35Å; I8-I16 HydrophobicContact CG2-CD1 4.25Å; I8-Y35 PolarHBondContact N-O 3.48Å; I8-Y35 PolarHBondContact O-N 3.3Å; I8-V43 HydrophobicContact CD1-CB 3.89Å; I8-V43 HydrophobicContact CD1-CG1 4.11Å; I8-V43 HydrophobicContact CD1-CG2 3.37Å; I8-P47 HydrophobicContact CG2-CG 3.84Å
9R86.2Confident78.1Confident199 Ų19979.9 Ų79.975%0.75140%0.403SS*.EExtended strand (participates in β ladder)trans-81.8108.9173.3-67.2-178-179.2-176.60.8108.3P11 T34R9-P11 VanDerWaalsContact O-CD 3.24Å; R9-P11 WeakPolarHBondContact O-CD 3.31Å; R9-T34 HydrophobicContact CG-CG2 4.21Å
10I89.2Confident78.6Confident4 Ų477.4 Ų77.42%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-86.4111.1174-47.7170.1000107.2I8 H14 I16 E29 P32 K33I8-I10 HydrophobicContact CG2-CG1 4.39Å; I8-I10 PolarHBondContact O-N 3.35Å; I10-H14 HydrophobicContact CG2-CB 4.02Å; I10-H14 VanDerWaalsContact CG2-O 3.26Å; I10-H14 WeakPolarHBondContact CG2-O 3.48Å; I10-I16 HydrophobicContact CD1-CD1 3.69Å; I10-I16 HydrophobicContact CD1-CG1 3.71Å; I10-I16 HydrophobicContact CG1-CD1 4.06Å; I10-I16 HydrophobicContact CG1-CG1 4.26Å; I10-E29 HydrophobicContact CD1-CB 3.85Å; I10-P32 WeakPolarHBondContact O-CA 3.32Å; I10-K33 WeakPolarHBondContact CA-O 3.37Å; I10-K33 VanDerWaalsContact CB-O 3.29Å; I10-K33 WeakPolarHBondContact CB-O 3.46Å; I10-K33 HydrophobicContact CD1-CB 4.45Å; I10-K33 PolarHBondContact N-O 3.28Å; I10-K33 PolarHBondContact O-N 3.33Å; I10-K33 VanDerWaalsContact O-N 3.14Å
11P89.9Confident79Confident50 Ų5079 Ų7933%0.32540%0.396SS..  trans-65.4167.3178.9-17.731.6000112.2R9 Y13 H14 G31R9-P11 VanDerWaalsContact O-CD 3.24Å; R9-P11 WeakPolarHBondContact O-CD 3.31Å; P11-Y13 PolarHBondContact O-N 3.2Å; P11-H14 PolarHBondContact O-N 3.19Å; P11-G31 WeakPolarHBondContact O-CA 3.46Å
12P90.8Very high81.4Confident73 Ų7373.9 Ų73.947%0.47437%0.374SS..THydrogen-bonded Turntrans-53.2139.9170.1-20.830000111.6H14 P32P12-H14 PolarHBondContact O-N 3.14Å; P12-H14 PolarHBondContact O-ND1 3.31Å; P12-P32 HydrophobicContact CG-CB 4.09Å
13Y90.7Very high83.3Confident154 Ų15472.1 Ų72.160%0.60436%0.356SS*.THydrogen-bonded Turntrans57.328.4-178.9-47.5-71.1000114.9P11 M50 P96P11-Y13 PolarHBondContact O-N 3.2Å; Y13-M50 VanDerWaalsContact O-CB 3.3Å; Y13-M50 WeakPolarHBondContact O-CB 3.25Å; Y13-M50 VanDerWaalsContact O-CG 3.3Å; Y13-M50 WeakPolarHBondContact O-CG 3.39Å; Y13-M50 PolarHBondContact O-N 2.94Å; Y13-P96 HydrophobicContact CD1-CB 3.86Å; Y13-P96 HydrophobicContact CD1-CG 3.78Å; Y13-P96 HydrophobicContact CE1-CG 4.08Å; Y13-P96 HydrophobicContact CG-CB 4.49Å; Y13-P96 HydrophobicContact CG-CG 4.45Å
14H93.1Very high84.9Confident38 Ų3871.4 Ų71.418%0.17635%0.347CS..EExtended strand (participates in β ladder)trans-120.3158.7170.4-6662.7000109.8I10 P11 P12 G31 P47 M48 R49I10-H14 HydrophobicContact CG2-CB 4.02Å; I10-H14 VanDerWaalsContact CG2-O 3.26Å; I10-H14 WeakPolarHBondContact CG2-O 3.48Å; P11-H14 PolarHBondContact O-N 3.19Å; P12-H14 PolarHBondContact O-N 3.14Å; P12-H14 PolarHBondContact O-ND1 3.31Å; H14-G31 PolarHBondContact O-N 3Å; H14-P47 HydrophobicContact CB-CB 4.31Å; H14-M48 CarbonylContact C-O 3.56Å; H14-M48 WeakPolarHBondContact CA-O 3.49Å; H14-M48 VanDerWaalsContact CB-O 3.29Å; H14-M48 WeakPolarHBondContact CB-O 3.47Å; H14-R49 WeakPolarHBondContact NE2-CG 3.09Å
15Y93.4Very high86.5Confident5 Ų567 Ų672%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-141.3158.817771.9-79.8000111.5H17 V28 E29 F45 M48 R49 M50 P98 L99Y15-H17 AromaticContact CD2-CD2 3.95Å; Y15-H17 AromaticContact CD2-NE2 3.9Å; Y15-H17 AromaticContact CE2-CD2 3.99Å; Y15-H17 AromaticContact CE2-NE2 3.55Å; Y15-V28 HydrophobicContact CD2-CG1 4.22Å; Y15-E29 VanDerWaalsContact CA-O 3.22Å; Y15-E29 WeakPolarHBondContact CA-O 3.49Å; Y15-E29 WeakPolarHBondContact CB-O 3.3Å; Y15-F45 HydrophobicContact CD2-CE2 4.3Å; Y15-F45 HydrophobicContact CD2-CZ 4.21Å; Y15-F45 HydrophobicContact CE2-CE2 4.07Å; Y15-F45 AromaticContact CE2-CZ 3.77Å; Y15-F45 HydrophobicContact CE2-CZ 3.77Å; Y15-M48 HydrophobicContact CE1-CB 4.1Å; Y15-M48 PolarHBondContact N-O 3.41Å; Y15-M48 PolarHBondContact O-N 2.69Å; Y15-R49 WeakPolarHBondContact CE1-O 3.35Å; Y15-M50 HydrophobicContact CD1-CG 3.89Å; Y15-P98 HydrophobicContact CD1-CB 3.69Å; Y15-P98 HydrophobicContact CD2-CB 3.75Å; Y15-P98 HydrophobicContact CE1-CB 4.23Å; Y15-P98 HydrophobicContact CE2-CB 4.29Å; Y15-P98 HydrophobicContact CG-CB 3.42Å; Y15-P98 VanDerWaalsContact CG-CB 3.42Å; Y15-L99 HydrophobicContact CE2-CB 4.5Å; Y15-L99 VanDerWaalsContact CE2-O 3.31Å; Y15-L99 WeakPolarHBondContact CE2-O 3.41Å; Y15-L99 WeakPolarHBondContact OH-CB 3.09Å
16I91.7Very high87.6Confident0 Ų060.9 Ų60.90%030%0.301CS..EExtended strand (participates in β ladder)trans-130.1154.2170.859.9175.8000109.4I8 I10 V18 V28 E29 Y35 V43 P47I8-I16 HydrophobicContact CG2-CD1 4.25Å; I10-I16 HydrophobicContact CD1-CD1 3.69Å; I10-I16 HydrophobicContact CD1-CG1 3.71Å; I10-I16 HydrophobicContact CG1-CD1 4.06Å; I10-I16 HydrophobicContact CG1-CG1 4.26Å; I16-V18 HydrophobicContact CD1-CG2 3.9Å; I16-V18 HydrophobicContact CG1-CG2 4.06Å; I16-V28 WeakPolarHBondContact O-CA 3.14Å; I16-E29 HydrophobicContact CD1-CB 4.35Å; I16-E29 HydrophobicContact CG1-CB 3.82Å; I16-E29 PolarHBondContact N-O 3.13Å; I16-E29 PolarHBondContact O-N 3.33Å; I16-Y35 HydrophobicContact CD1-CD1 4.13Å; I16-Y35 HydrophobicContact CD1-CG 4.26Å; I16-V43 HydrophobicContact CB-CG1 4.03Å; I16-V43 HydrophobicContact CD1-CG1 4.14Å; I16-V43 HydrophobicContact CD1-CG2 4.15Å; I16-V43 HydrophobicContact CG2-CG1 4.28Å; I16-P47 HydrophobicContact CG2-CB 4.09Å; I16-P47 HydrophobicContact CG2-CG 3.84Å
17H92Very high88.2Confident16 Ų1659.2 Ų59.27%0.07429%0.291CS..EExtended strand (participates in β ladder)trans-98.5129.7164.6-67175.1000110Y15 R27 V28 V43 L44 F45 L99 P101Y15-H17 AromaticContact CD2-CD2 3.95Å; Y15-H17 AromaticContact CD2-NE2 3.9Å; Y15-H17 AromaticContact CE2-CD2 3.99Å; Y15-H17 AromaticContact CE2-NE2 3.55Å; H17-R27 CarbonylContact C-O 3.57Å; H17-R27 VanDerWaalsContact CA-O 3.32Å; H17-R27 WeakPolarHBondContact CA-O 3.47Å; H17-V28 WeakPolarHBondContact CD2-CG2 3.35Å; H17-V28 WeakPolarHBondContact NE2-CG2 3.34Å; H17-V43 WeakPolarHBondContact O-CA 3.26Å; H17-L44 HydrophobicContact CB-CB 4.2Å; H17-L44 HydrophobicContact CB-CD1 3.79Å; H17-L44 HydrophobicContact CB-CG 4.18Å; H17-L44 PolarHBondContact O-N 2.76Å; H17-F45 HydrophobicContact CB-CE1 3.68Å; H17-F45 HydrophobicContact CB-CZ 3.86Å; H17-F45 AromaticContact CD2-CZ 3.58Å; H17-F45 AromaticContact CE1-CE1 3.92Å; H17-F45 AromaticContact CE1-CZ 3.91Å; H17-F45 AromaticContact CG-CE1 3.45Å; H17-F45 VanDerWaalsContact CG-CE1 3.45Å; H17-F45 AromaticContact CG-CZ 3.44Å; H17-F45 VanDerWaalsContact CG-CZ 3.44Å; H17-F45 AromaticContact ND1-CE1 3.39Å; H17-F45 WeakPolarHBondContact ND1-CE1 3.41Å; H17-F45 AromaticContact ND1-CZ 3.7Å; H17-F45 AromaticContact NE2-CZ 3.87Å; H17-L99 PolarHBondContact CE1-O 3.3Å; H17-L99 PolarHBondContact NE2-O 3.36Å; H17-P101 WeakPolarHBondContact CE1-CA 3.46Å
18V89.4Confident88.5Confident0 Ų055.8 Ų55.80%028%0.275CS..EExtended strand (participates in β ladder)trans-112.9114.4177.6-172.40000108.1I16 S26 R27 E29 Y35 E41 V43I16-V18 HydrophobicContact CD1-CG2 3.9Å; I16-V18 HydrophobicContact CG1-CG2 4.06Å; V18-S26 CarbonylContact O-C 3.51Å; V18-S26 WeakPolarHBondContact O-CA 3.21Å; V18-R27 HydrophobicContact CB-CG 4.34Å; V18-R27 PolarHBondContact N-O 3.45Å; V18-R27 PolarHBondContact O-N 3.19Å; V18-E29 HydrophobicContact CG2-CB 4.4Å; V18-E29 HydrophobicContact CG2-CG 3.75Å; V18-Y35 HydrophobicContact CG1-CE1 4.13Å; V18-Y35 HydrophobicContact CG2-CD1 4.39Å; V18-Y35 HydrophobicContact CG2-CE1 3.87Å; V18-E41 HydrophobicContact CG1-CB 3.8Å; V18-E41 HydrophobicContact CG1-CG 4.16Å; V18-V43 HydrophobicContact CG2-CG2 4.24Å
19L89.5Confident88.8Confident31 Ų3156.2 Ų56.216%0.16228%0.277CS..EExtended strand (participates in β ladder)trans-89.4115.2173.1177.668.2000109.1Q21 E41 R42 L44L19-Q21 PolarHBondContact O-N 3.23Å; L19-E41 CarbonylContact O-C 3.51Å; L19-E41 WeakPolarHBondContact O-CA 3.48Å; L19-R42 PolarHBondContact N-O 2.87Å; L19-R42 PolarHBondContact O-N 3.21Å; L19-L44 HydrophobicContact CB-CD2 3.85Å; L19-L44 HydrophobicContact CB-CG 4.23Å; L19-L44 HydrophobicContact CD2-CD2 4.16Å
20D88.3Confident89Confident29 Ų2949.8 Ų49.816%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-78117.6166.6173.616.8000109N22 S23 N24 V25 N40D20-N22 VanDerWaalsContact C-N 3.29Å; D20-N22 PolarHBondContact O-N 3.27Å; D20-N22 WeakPolarHBondContact OD1-CB 3.42Å; D20-N22 PolarHBondContact OD1-N 3.3Å; D20-S23 WeakPolarHBondContact CB-OG 3.49Å; D20-S23 PolarHBondContact OD2-OG 2.7Å; D20-N24 CarbonylContact O-C 3.57Å; D20-N24 WeakPolarHBondContact O-CA 3.49Å; D20-N24 PolarHBondContact O-N 2.91Å; D20-V25 PolarHBondContact N-O 3.23Å; D20-V25 PolarHBondContact O-N 3.45Å; D20-N40 PolarHBondContact OD1-ND2 3.07Å
21Q85.7Confident89Confident111 Ų11150.1 Ų50.152%0.51926%0.263SS..THydrogen-bonded Turntrans-72.2-22.1-177-62-177.2-0.100112.8L19 N40L19-Q21 PolarHBondContact O-N 3.23Å; Q21-N40 VanDerWaalsContact CB-O 3.28Å; Q21-N40 WeakPolarHBondContact CB-O 3.41Å; Q21-N40 WeakPolarHBondContact CG-O 3.46Å; Q21-N40 PolarHBondContact N-O 3.17Å
22N85.4Confident89Confident133 Ų13352.8 Ų52.871%0.71128%0.28SS*.THydrogen-bonded Turntrans-74.8-43.1179.5-70.6-22.1000111.5D20 N40D20-N22 VanDerWaalsContact C-N 3.29Å; D20-N22 PolarHBondContact O-N 3.27Å; D20-N22 WeakPolarHBondContact OD1-CB 3.42Å; D20-N22 PolarHBondContact OD1-N 3.3Å; N22-N40 VanDerWaalsContact ND2-CB 3.33Å; N22-N40 WeakPolarHBondContact ND2-CB 3.34Å; N22-N40 PolarHBondContact ND2-ND2 3.34Å
23S82.9Confident88.8Confident59 Ų5953.6 Ų53.641%0.41328%0.277SS..THydrogen-bonded Turntrans-92.7-14.4177.657.70000113D20 V25D20-S23 WeakPolarHBondContact CB-OG 3.49Å; D20-S23 PolarHBondContact OD2-OG 2.7Å; S23-V25 PolarHBondContact O-N 3.49Å; S23-V25 PolarHBondContact OG-N 3.23Å
24N83.7Confident88.7Confident115 Ų11550.3 Ų50.362%0.61527%0.273SS*.THydrogen-bonded Turntrans5529.4-167.7-15834.8000113.2D20D20-N24 CarbonylContact O-C 3.57Å; D20-N24 WeakPolarHBondContact O-CA 3.49Å; D20-N24 PolarHBondContact O-N 2.91Å
25V86.1Confident88.4Confident15 Ų1549.2 Ų49.29%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-103.6126.1-178.3176.70000110.3D20 S23 T78 Q80D20-V25 PolarHBondContact N-O 3.23Å; D20-V25 PolarHBondContact O-N 3.45Å; S23-V25 PolarHBondContact O-N 3.49Å; S23-V25 PolarHBondContact OG-N 3.23Å; V25-T78 WeakPolarHBondContact CG2-O 3.31Å; V25-Q80 HydrophobicContact CG1-CB 4.05Å; V25-Q80 HydrophobicContact CG2-CB 4.44Å
26S87.8Confident88.1Confident15 Ų1554 Ų5411%0.10529%0.292CS..EExtended strand (participates in β ladder)trans-92.6132.3173.155.20000111.4V18 P101V18-S26 CarbonylContact O-C 3.51Å; V18-S26 WeakPolarHBondContact O-CA 3.21Å; S26-P101 WeakPolarHBondContact OG-CB 3.27Å
27R87.3Confident87.8Confident79 Ų7955.2 Ų55.230%0.29830%0.296SS..EExtended strand (participates in β ladder)trans-126162.2173.867.4-178.9-175.7-91.18.3111.8H17 V18 E29 Y35 E41H17-R27 CarbonylContact C-O 3.57Å; H17-R27 VanDerWaalsContact CA-O 3.32Å; H17-R27 WeakPolarHBondContact CA-O 3.47Å; V18-R27 HydrophobicContact CB-CG 4.34Å; V18-R27 PolarHBondContact N-O 3.45Å; V18-R27 PolarHBondContact O-N 3.19Å; R27-E29 IonicContact NE-OE1 3.31Å; R27-E29 PolarHBondContact NE-OE1 3.42Å; R27-Y35 PolarHBondContact NH2-OH 3.02Å; R27-E41 IonicContact CZ-OE1 3.3Å; R27-E41 IonicContact NH1-OE1 2.67Å; R27-E41 PolarHBondContact NH1-OE1 2.76Å; R27-E41 IonicContact NH2-OE1 3.36Å; R27-E41 PolarHBondContact NH2-OE1 3Å; R27-E41 IonicContact NH2-OE2 3.46Å
28V90.9Very high87.5Confident27 Ų2759.5 Ų59.516%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-96.9134.1177.1172.20000110Y15 I16 H17 V30 P98 Y100 P101Y15-V28 HydrophobicContact CD2-CG1 4.22Å; I16-V28 WeakPolarHBondContact O-CA 3.14Å; H17-V28 WeakPolarHBondContact CD2-CG2 3.35Å; H17-V28 WeakPolarHBondContact NE2-CG2 3.34Å; V28-V30 HydrophobicContact CG1-CG2 3.94Å; V28-P98 HydrophobicContact CG1-CB 3.82Å; V28-P98 HydrophobicContact CG1-CG 4Å; V28-Y100 HydrophobicContact CB-CD1 4.44Å; V28-Y100 HydrophobicContact CG2-CD1 3.87Å; V28-Y100 HydrophobicContact CG2-CE1 4.42Å; V28-Y100 HydrophobicContact CG2-CG 4.34Å; V28-P101 HydrophobicContact CG2-CG 4.1Å
29E90.2Very high87.1Confident28 Ų2865.9 Ų65.913%0.13135%0.351CS..EExtended strand (participates in β ladder)trans-114.6126.1168.6-66.9-7217100109.2I10 Y15 I16 V18 R27 K33 Y35I10-E29 HydrophobicContact CD1-CB 3.85Å; Y15-E29 VanDerWaalsContact CA-O 3.22Å; Y15-E29 WeakPolarHBondContact CA-O 3.49Å; Y15-E29 WeakPolarHBondContact CB-O 3.3Å; I16-E29 HydrophobicContact CD1-CB 4.35Å; I16-E29 HydrophobicContact CG1-CB 3.82Å; I16-E29 PolarHBondContact N-O 3.13Å; I16-E29 PolarHBondContact O-N 3.33Å; V18-E29 HydrophobicContact CG2-CB 4.4Å; V18-E29 HydrophobicContact CG2-CG 3.75Å; R27-E29 IonicContact NE-OE1 3.31Å; R27-E29 PolarHBondContact NE-OE1 3.42Å; E29-K33 IonicContact OE1-NZ 2.77Å; E29-K33 IonicContact OE2-NZ 3.91Å; E29-K33 PolarHBondContact OE2-NZ 2.99Å; E29-Y35 HydrophobicContact CB-CD2 4.33Å; E29-Y35 HydrophobicContact CG-CD2 3.81Å; E29-Y35 HydrophobicContact CG-CE2 3.66Å
30V91.1Very high87Confident64 Ų6466.8 Ų66.839%0.38836%0.355SS..EExtended strand (participates in β ladder)trans-104.1139.8-175.2164.90000110.6V28 K33 M50 P98V28-V30 HydrophobicContact CG1-CG2 3.94Å; V30-K33 WeakPolarHBondContact O-CB 3.5Å; V30-M50 HydrophobicContact CB-CE 3.92Å; V30-M50 HydrophobicContact CG1-CE 3.27Å; V30-M50 HydrophobicContact CG2-CE 3.58Å; V30-P98 HydrophobicContact CG2-CB 4.36Å; V30-P98 HydrophobicContact CG2-CG 3.89Å
31G88.7Confident86.9Confident10 Ų1066 Ų6610%0.10335%0.351CS..SBendtrans-86.6166.3172.300000114.2P11 H14P11-G31 WeakPolarHBondContact O-CA 3.46Å; H14-G31 PolarHBondContact O-N 3Å
32P90Very high87Confident106 Ų10666.6 Ų66.669%0.68835%0.349SS*.SBendcis-79.6116.25.429.9-32.6000112.4I10 P12I10-P32 WeakPolarHBondContact O-CA 3.32Å; P12-P32 HydrophobicContact CG-CB 4.09Å
33K87.4Confident87.1Confident91 Ų9161.6 Ų61.640%0.39632%0.323SS..EExtended strand (participates in β ladder)trans-151.4133.4-177.6-174.7175.7179.3-178.60109.1I10 E29 V30 Y35I10-K33 WeakPolarHBondContact CA-O 3.37Å; I10-K33 VanDerWaalsContact CB-O 3.29Å; I10-K33 WeakPolarHBondContact CB-O 3.46Å; I10-K33 HydrophobicContact CD1-CB 4.45Å; I10-K33 PolarHBondContact N-O 3.28Å; I10-K33 PolarHBondContact O-N 3.33Å; I10-K33 VanDerWaalsContact O-N 3.14Å; E29-K33 IonicContact OE1-NZ 2.77Å; E29-K33 IonicContact OE2-NZ 3.91Å; E29-K33 PolarHBondContact OE2-NZ 2.99Å; V30-K33 WeakPolarHBondContact O-CB 3.5Å; K33-Y35 PolarHBondContact O-N 3.37Å
34T88Confident87.2Confident84 Ų8462.7 Ų62.752%0.51532%0.323SS..EExtended strand (participates in β ladder)trans-88.8104.7166.8-58.50000107I7 R9I7-T34 HydrophobicContact CG2-CG2 3.45Å; I7-T34 VanDerWaalsContact CG2-CG2 3.45Å; R9-T34 HydrophobicContact CG-CG2 4.21Å
35Y86.6Confident87.3Confident16 Ų1659.9 Ų59.96%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-89.2129.5-177.6-171.4-97.3000110.2I8 I16 V18 R27 E29 K33 R37 E41I8-Y35 PolarHBondContact N-O 3.48Å; I8-Y35 PolarHBondContact O-N 3.3Å; I16-Y35 HydrophobicContact CD1-CD1 4.13Å; I16-Y35 HydrophobicContact CD1-CG 4.26Å; V18-Y35 HydrophobicContact CG1-CE1 4.13Å; V18-Y35 HydrophobicContact CG2-CD1 4.39Å; V18-Y35 HydrophobicContact CG2-CE1 3.87Å; R27-Y35 PolarHBondContact NH2-OH 3.02Å; E29-Y35 HydrophobicContact CB-CD2 4.33Å; E29-Y35 HydrophobicContact CG-CD2 3.81Å; E29-Y35 HydrophobicContact CG-CE2 3.66Å; K33-Y35 PolarHBondContact O-N 3.37Å; Y35-R37 HydrophobicContact CE1-CB 4.35Å; Y35-E41 VanDerWaalsContact OH-CD 3.25Å; Y35-E41 PolarHBondContact OH-OE1 3.17Å; Y35-E41 PolarHBondContact OH-OE2 2.79Å
36I87.6Confident87.3Confident104 Ų10463 Ų6353%0.53333%0.333SS..EExtended strand (participates in β ladder)trans-105.1111.4176.2-57.8172.5000106.8F6 Q38F6-I36 WeakPolarHBondContact O-CA 3.45Å; I36-Q38 PolarHBondContact O-N 3.39Å
37R84.7Confident87.3Confident27 Ų2764.5 Ų64.510%0.10234%0.342CS..  trans-71.5125.4-179.6-173.8-175.571.284.1-2.5109.6E4 F6 Y35 E41 V43E4-R37 IonicContact OE2-CZ 2.78Å; E4-R37 IonicContact OE2-NH2 3.65Å; F6-R37 PolarHBondContact O-N 3.39Å; Y35-R37 HydrophobicContact CE1-CB 4.35Å; R37-E41 VanDerWaalsContact CD-O 3.24Å; R37-E41 WeakPolarHBondContact CD-O 3.21Å; R37-E41 HydrophobicContact CG-CB 4.01Å; R37-E41 WeakPolarHBondContact CG-O 3.4Å; R37-E41 PolarHBondContact NH1-O 3Å; R37-V43 HydrophobicContact CG-CG2 4.44Å
38Q86.2Confident87.5Confident105 Ų10564.8 Ų64.849%0.49135%0.348SS..  trans-77.4159.8172.4-58-61.8-37.900110.8I36 N40 E41I36-Q38 PolarHBondContact O-N 3.39Å; Q38-N40 WeakPolarHBondContact CB-OD1 3.22Å; Q38-N40 PolarHBondContact O-N 3.09Å; Q38-E41 HydrophobicContact CB-CG 4.07Å; Q38-E41 PolarHBondContact N-OE2 3.05Å; Q38-E41 PolarHBondContact O-N 3.33Å
39D81.7Confident87.5Confident135 Ų13572.9 Ų72.972%0.72238%0.376SS*.THydrogen-bonded Turntrans-58.9-34.5-177-75.3-19.4000113.1E41D39-E41 VanDerWaalsContact C-N 3.26Å; D39-E41 PolarHBondContact O-N 2.91Å
40N86.2Confident87.6Confident49 Ų4972.3 Ų72.326%0.26237%0.373SS..THydrogen-bonded Turntrans-80.20.4177.663.4-63.2000114D20 Q21 N22 Q38D20-N40 PolarHBondContact OD1-ND2 3.07Å; Q21-N40 VanDerWaalsContact CB-O 3.28Å; Q21-N40 WeakPolarHBondContact CB-O 3.41Å; Q21-N40 WeakPolarHBondContact CG-O 3.46Å; Q21-N40 PolarHBondContact N-O 3.17Å; N22-N40 VanDerWaalsContact ND2-CB 3.33Å; N22-N40 WeakPolarHBondContact ND2-CB 3.34Å; N22-N40 PolarHBondContact ND2-ND2 3.34Å; Q38-N40 WeakPolarHBondContact CB-OD1 3.22Å; Q38-N40 PolarHBondContact O-N 3.09Å
41E87.3Confident87.7Confident14 Ų1470 Ų707%0.06536%0.36CS..EExtended strand (participates in β ladder)trans-112.4146.1-174-65.717716300111.9V18 L19 R27 Y35 R37 Q38 D39V18-E41 HydrophobicContact CG1-CB 3.8Å; V18-E41 HydrophobicContact CG1-CG 4.16Å; L19-E41 CarbonylContact O-C 3.51Å; L19-E41 WeakPolarHBondContact O-CA 3.48Å; R27-E41 IonicContact CZ-OE1 3.3Å; R27-E41 IonicContact NH1-OE1 2.67Å; R27-E41 PolarHBondContact NH1-OE1 2.76Å; R27-E41 IonicContact NH2-OE1 3.36Å; R27-E41 PolarHBondContact NH2-OE1 3Å; R27-E41 IonicContact NH2-OE2 3.46Å; Y35-E41 VanDerWaalsContact OH-CD 3.25Å; Y35-E41 PolarHBondContact OH-OE1 3.17Å; Y35-E41 PolarHBondContact OH-OE2 2.79Å; R37-E41 VanDerWaalsContact CD-O 3.24Å; R37-E41 WeakPolarHBondContact CD-O 3.21Å; R37-E41 HydrophobicContact CG-CB 4.01Å; R37-E41 WeakPolarHBondContact CG-O 3.4Å; R37-E41 PolarHBondContact NH1-O 3Å; Q38-E41 HydrophobicContact CB-CG 4.07Å; Q38-E41 PolarHBondContact N-OE2 3.05Å; Q38-E41 PolarHBondContact O-N 3.33Å; D39-E41 VanDerWaalsContact C-N 3.26Å; D39-E41 PolarHBondContact O-N 2.91Å
42R86.7Confident87.8Confident123 Ų12373.1 Ų73.146%0.46438%0.377SS..EExtended strand (participates in β ladder)trans-127.7128.3176.6-177.1176.7177.7-166.9-3.3110.1L19L19-R42 PolarHBondContact N-O 2.87Å; L19-R42 PolarHBondContact O-N 3.21Å
43V87.2Confident87.9Confident28 Ų2868.4 Ų68.417%0.1735%0.346CS..EExtended strand (participates in β ladder)trans-83.8126.4172.4179.90000109.1I8 I16 H17 V18 R37 F45I8-V43 HydrophobicContact CD1-CB 3.89Å; I8-V43 HydrophobicContact CD1-CG1 4.11Å; I8-V43 HydrophobicContact CD1-CG2 3.37Å; I16-V43 HydrophobicContact CB-CG1 4.03Å; I16-V43 HydrophobicContact CD1-CG1 4.14Å; I16-V43 HydrophobicContact CD1-CG2 4.15Å; I16-V43 HydrophobicContact CG2-CG1 4.28Å; H17-V43 WeakPolarHBondContact O-CA 3.26Å; V18-V43 HydrophobicContact CG2-CG2 4.24Å; R37-V43 HydrophobicContact CG-CG2 4.44Å; V43-F45 WeakPolarHBondContact CG1-O 3.38Å
44L85.9Confident88.1Confident81 Ų8166.5 Ų66.542%0.42434%0.343SS..  trans-77.7-31.1-171.2-62.7-177.8000113H17 L19H17-L44 HydrophobicContact CB-CB 4.2Å; H17-L44 HydrophobicContact CB-CD1 3.79Å; H17-L44 HydrophobicContact CB-CG 4.18Å; H17-L44 PolarHBondContact O-N 2.76Å; L19-L44 HydrophobicContact CB-CD2 3.85Å; L19-L44 HydrophobicContact CB-CG 4.23Å; L19-L44 HydrophobicContact CD2-CD2 4.16Å
45F86.1Confident88.3Confident57 Ų5767.5 Ų67.525%0.2535%0.351CS..SBendtrans-153.4157.5179.849.2-100.5000111.4Y15 H17 V43 M48Y15-F45 HydrophobicContact CD2-CE2 4.3Å; Y15-F45 HydrophobicContact CD2-CZ 4.21Å; Y15-F45 HydrophobicContact CE2-CE2 4.07Å; Y15-F45 AromaticContact CE2-CZ 3.77Å; Y15-F45 HydrophobicContact CE2-CZ 3.77Å; H17-F45 HydrophobicContact CB-CE1 3.68Å; H17-F45 HydrophobicContact CB-CZ 3.86Å; H17-F45 AromaticContact CD2-CZ 3.58Å; H17-F45 AromaticContact CE1-CE1 3.92Å; H17-F45 AromaticContact CE1-CZ 3.91Å; H17-F45 AromaticContact CG-CE1 3.45Å; H17-F45 VanDerWaalsContact CG-CE1 3.45Å; H17-F45 AromaticContact CG-CZ 3.44Å; H17-F45 VanDerWaalsContact CG-CZ 3.44Å; H17-F45 AromaticContact ND1-CE1 3.39Å; H17-F45 WeakPolarHBondContact ND1-CE1 3.41Å; H17-F45 AromaticContact ND1-CZ 3.7Å; H17-F45 AromaticContact NE2-CZ 3.87Å; V43-F45 WeakPolarHBondContact CG1-O 3.38Å; F45-M48 HydrophobicContact CD1-SD 4.49Å; F45-M48 HydrophobicContact CD2-CB 4.23Å; F45-M48 HydrophobicContact CD2-CG 3.62Å; F45-M48 HydrophobicContact CD2-SD 3.62Å; F45-M48 HydrophobicContact CE2-CB 3.99Å; F45-M48 HydrophobicContact CE2-CG 3.83Å; F45-M48 HydrophobicContact CE2-SD 3.7Å; F45-M48 HydrophobicContact CG-CG 4.46Å; F45-M48 HydrophobicContact CG-SD 4.03Å; F45-M48 HydrophobicContact CZ-SD 4.18Å
46A86.2Confident88.5Confident80 Ų8075.8 Ų75.866%0.66138%0.382SS*.SBendtrans-63.2152.1174.300000111.3M48A46-M48 PolarHBondContact O-N 3.25Å
47P88.2Confident88.7Confident46 Ų4673.5 Ų73.530%0.29937%0.369SS..  trans-44.5110.8-175.6-29.834.9000113.8I8 H14 I16I8-P47 HydrophobicContact CG2-CG 3.84Å; H14-P47 HydrophobicContact CB-CB 4.31Å; I16-P47 HydrophobicContact CG2-CB 4.09Å; I16-P47 HydrophobicContact CG2-CG 3.84Å
48M91Very high89.2Confident86 Ų8673.4 Ų73.442%0.42437%0.369SS..EExtended strand (participates in β ladder)trans-91.4145.1179.2-79-17860.100110.2H14 Y15 F45 A46H14-M48 CarbonylContact C-O 3.56Å; H14-M48 WeakPolarHBondContact CA-O 3.49Å; H14-M48 VanDerWaalsContact CB-O 3.29Å; H14-M48 WeakPolarHBondContact CB-O 3.47Å; Y15-M48 HydrophobicContact CE1-CB 4.1Å; Y15-M48 PolarHBondContact N-O 3.41Å; Y15-M48 PolarHBondContact O-N 2.69Å; F45-M48 HydrophobicContact CD1-SD 4.49Å; F45-M48 HydrophobicContact CD2-CB 4.23Å; F45-M48 HydrophobicContact CD2-CG 3.62Å; F45-M48 HydrophobicContact CD2-SD 3.62Å; F45-M48 HydrophobicContact CE2-CB 3.99Å; F45-M48 HydrophobicContact CE2-CG 3.83Å; F45-M48 HydrophobicContact CE2-SD 3.7Å; F45-M48 HydrophobicContact CG-CG 4.46Å; F45-M48 HydrophobicContact CG-SD 4.03Å; F45-M48 HydrophobicContact CZ-SD 4.18Å; A46-M48 PolarHBondContact O-N 3.25Å
49R91.3Very high89.5Confident196 Ų19668.4 Ų68.474%0.7435%0.345SS*.EExtended strand (participates in β ladder)trans-64138.1171.6-76.8-178.9129.2-166.7-5.2110.2H14 Y15H14-R49 WeakPolarHBondContact NE2-CG 3.09Å; Y15-R49 WeakPolarHBondContact CE1-O 3.35Å
50M92.5Very high90.1Very high17 Ų1762.4 Ų62.48%0.08431%0.314CS..PPolyproline II helixtrans-60.7152.4166.2-73.3-179.9172.300110.6Y13 Y15 V30 T52 P96 F97 P98Y13-M50 VanDerWaalsContact O-CB 3.3Å; Y13-M50 WeakPolarHBondContact O-CB 3.25Å; Y13-M50 VanDerWaalsContact O-CG 3.3Å; Y13-M50 WeakPolarHBondContact O-CG 3.39Å; Y13-M50 PolarHBondContact O-N 2.94Å; Y15-M50 HydrophobicContact CD1-CG 3.89Å; V30-M50 HydrophobicContact CB-CE 3.92Å; V30-M50 HydrophobicContact CG1-CE 3.27Å; V30-M50 HydrophobicContact CG2-CE 3.58Å; M50-T52 PolarHBondContact O-N 3.45Å; M50-P96 HydrophobicContact CB-CB 3.87Å; M50-P96 HydrophobicContact SD-CB 4.24Å; M50-P96 VanDerWaalsContact SD-O 3.41Å; M50-F97 WeakPolarHBondContact CA-O 3.34Å; M50-F97 WeakPolarHBondContact CB-O 3.35Å; M50-P98 HydrophobicContact CE-CB 4.24Å; M50-P98 HydrophobicContact CE-CG 4.26Å
51V91.8Very high90.4Very high16 Ų1660.1 Ų60.110%0.09730%0.301CS..BIsolated β-bridgetrans-75.7114.9174.6-176.90000107.4V53 P96 F97 L99V51-V53 HydrophobicContact CG1-CG2 4.14Å; V51-P96 WeakPolarHBondContact O-CA 3.46Å; V51-F97 HydrophobicContact CB-CD2 4.25Å; V51-F97 HydrophobicContact CB-CE1 4.23Å; V51-F97 HydrophobicContact CB-CE2 3.72Å; V51-F97 HydrophobicContact CB-CZ 3.72Å; V51-F97 HydrophobicContact CG1-CE1 4.22Å; V51-F97 HydrophobicContact CG1-CE2 4.12Å; V51-F97 HydrophobicContact CG1-CZ 3.68Å; V51-F97 HydrophobicContact CG2-CE2 4.19Å; V51-F97 PolarHBondContact N-O 3.41Å; V51-F97 PolarHBondContact O-N 2.95Å; V51-F97 VanDerWaalsContact O-N 3.17Å; V51-L99 HydrophobicContact CG2-CD1 4.34Å; V51-L99 HydrophobicContact CG2-CD2 4.3Å; V51-L99 HydrophobicContact CG2-CG 4.11Å
52T91.3Very high90.7Very high75 Ų7560.1 Ų60.146%0.4630%0.304SS..  trans-105.3108.2175-57.30000108.1M50 P54 P96 I109M50-T52 PolarHBondContact O-N 3.45Å; T52-P54 VanDerWaalsContact O-CD 3.3Å; T52-P54 WeakPolarHBondContact O-CD 3.31Å; T52-P96 HydrophobicContact CG2-CG 4.18Å; T52-I109 WeakPolarHBondContact O-CD1 3.36Å
53V92.4Very high91Very high6 Ų656.3 Ų56.34%0.03629%0.293CS..  trans-89113.1178.1-176.70000108.8V51 H57 F97V51-V53 HydrophobicContact CG1-CG2 4.14Å; V53-H57 HydrophobicContact CG1-CB 4.06Å; V53-H57 WeakPolarHBondContact CG1-O 3.43Å; V53-F97 HydrophobicContact CG2-CE1 3.9Å; V53-F97 HydrophobicContact CG2-CZ 4.24Å
54P92.3Very high91.2Very high51 Ų5155 Ų5533%0.33129%0.285SS..  trans-64.9162.6178.4-2033.1000112.4T52 R56 H57 I109T52-P54 VanDerWaalsContact O-CD 3.3Å; T52-P54 WeakPolarHBondContact O-CD 3.31Å; P54-R56 PolarHBondContact O-N 3.47Å; P54-H57 WeakPolarHBondContact O-CB 3.41Å; P54-H57 PolarHBondContact O-N 3.27Å; P54-H57 VanDerWaalsContact O-N 3.12Å; P54-I109 HydrophobicContact CG-CG2 4.32Å
55P91.3Very high91.4Very high106 Ų10651.2 Ų51.269%0.68827%0.265SS*.THydrogen-bonded Turntrans-51.7140.2170.8-25.334.4000111.7H57P55-H57 PolarHBondContact O-N 3.35Å; P55-H57 PolarHBondContact O-ND1 3.44Å
56R90Very high91.6Very high190 Ų19049.3 Ų49.372%0.71726%0.259SS*.THydrogen-bonded Turntrans5923.3-177.1-53.3-178.3179.4175.4-1.2115.2P54 L112P54-R56 PolarHBondContact O-N 3.47Å; R56-L112 WeakPolarHBondContact O-CB 3.2Å; R56-L112 WeakPolarHBondContact O-CG 3.49Å; R56-L112 PolarHBondContact O-N 2.9Å
57H93.5Very high91.5Very high56 Ų5650.4 Ų50.426%0.25925%0.246SC..EExtended strand (participates in β ladder)trans-118.8163.9169.5-65.363.2000109.6V53 P54 P55 I109 T110V53-H57 HydrophobicContact CG1-CB 4.06Å; V53-H57 WeakPolarHBondContact CG1-O 3.43Å; P54-H57 WeakPolarHBondContact O-CB 3.41Å; P54-H57 PolarHBondContact O-N 3.27Å; P54-H57 VanDerWaalsContact O-N 3.12Å; P55-H57 PolarHBondContact O-N 3.35Å; P55-H57 PolarHBondContact O-ND1 3.44Å; H57-I109 HydrophobicContact CB-CG2 3.89Å; H57-T110 CarbonylContact C-O 3.59Å; H57-T110 VanDerWaalsContact CA-O 3.25Å; H57-T110 WeakPolarHBondContact CA-O 3.09Å; H57-T110 WeakPolarHBondContact CB-O 3.45Å
58Y94.4Very high91.4Very high25 Ų2550.8 Ų50.810%0.09825%0.245CC..EExtended strand (participates in β ladder)trans-140.5164.2172.676.9-77.4000110I90 R91 T110 L112 P153Y58-I90 HydrophobicContact CD2-CG2 3.88Å; Y58-I90 HydrophobicContact CG-CG2 4.41Å; Y58-R91 VanDerWaalsContact CA-O 3.32Å; Y58-R91 WeakPolarHBondContact CA-O 3.12Å; Y58-T110 VanDerWaalsContact CD1-O 3.31Å; Y58-T110 WeakPolarHBondContact CD1-O 3.02Å; Y58-T110 HydrophobicContact CE1-CG2 3.93Å; Y58-T110 PolarHBondContact N-O 3.34Å; Y58-T110 PolarHBondContact O-N 3.34Å; Y58-L112 HydrophobicContact CD1-CD2 3.69Å; Y58-L112 HydrophobicContact CD1-CG 4.44Å; Y58-L112 HydrophobicContact CG-CD2 4.18Å; Y58-P153 HydrophobicContact CD1-CG 4.24Å; Y58-P153 HydrophobicContact CD2-CG 4.41Å; Y58-P153 HydrophobicContact CE1-CG 3.79Å; Y58-P153 HydrophobicContact CE2-CB 4.21Å; Y58-P153 HydrophobicContact CE2-CG 3.98Å
59C93.1Very high90.9Very high0 Ų051.7 Ų51.70%027%0.267CS..EExtended strand (participates in β ladder)trans-137.2158.5166.163.70000109.6R91 L105 K107C59-R91 PolarHBondContact N-O 3.03Å; C59-R91 PolarHBondContact O-N 3.38Å; C59-L105 HydrophobicContact CB-CD1 3.8Å; C59-K107 WeakPolarHBondContact CB-O 3.31Å
60T93.3Very high90.6Very high9 Ų949.4 Ų49.46%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-112.3122.4178.8-52.70000109.2L88 I90 E106 K107T60-L88 HydrophobicContact CG2-CB 4.05Å; T60-L88 HydrophobicContact CG2-CD1 4.25Å; T60-L88 HydrophobicContact CG2-CD2 4.32Å; T60-L88 HydrophobicContact CG2-CG 4.44Å; T60-I90 HydrophobicContact CG2-CG1 4.44Å; T60-E106 PolarHBondContact O-N 3.01Å; T60-K107 PolarHBondContact N-O 2.99Å; T60-K107 VanDerWaalsContact N-O 3.12Å; T60-K107 PolarHBondContact O-N 2.95Å
61V92.8Very high89.8Confident0 Ų050.7 Ų50.70%028%0.282CS..EExtended strand (participates in β ladder)trans-104.7119.8178-179.20000108.6L88 E89 R91 L99 E103 V104 L105V61-L88 CarbonylContact O-C 3.59Å; V61-L88 WeakPolarHBondContact O-CA 3.39Å; V61-E89 PolarHBondContact N-O 3.49Å; V61-E89 PolarHBondContact O-N 3.43Å; V61-R91 HydrophobicContact CG2-CG 4.48Å; V61-L99 HydrophobicContact CG1-CD2 4.19Å; V61-L99 HydrophobicContact CG2-CD2 4.07Å; V61-E103 HydrophobicContact CG1-CB 3.8Å; V61-E103 HydrophobicContact CG1-CG 4.02Å; V61-V104 CarbonylContact C-O 3.59Å; V61-V104 WeakPolarHBondContact CA-O 3.38Å; V61-L105 HydrophobicContact CG2-CD1 4.1Å
62A93.1Very high89.4Confident15 Ų1555.3 Ų55.312%0.12431%0.306CS..EExtended strand (participates in β ladder)trans-84.1146.2172.100000110.8L88 E103 V104 E106A62-L88 HydrophobicContact CB-CD2 3.8Å; A62-E103 WeakPolarHBondContact O-CA 3.25Å; A62-V104 PolarHBondContact N-O 2.7Å; A62-V104 PolarHBondContact O-N 3Å; A62-E106 HydrophobicContact CB-CB 4.08Å
63N92.9Very high89.1Confident43 Ų4352.8 Ų52.823%0.2329%0.29CS..SBendtrans5650.9-175.3-51.7-54000113.7L83 R84 H85 A86 D87N63-L83 WeakPolarHBondContact O-CD2 3.15Å; N63-R84 WeakPolarHBondContact CA-O 3.47Å; N63-H85 WeakPolarHBondContact OD1-CA 3.32Å; N63-A86 PolarHBondContact OD1-N 3.33Å; N63-D87 PolarHBondContact N-O 2.76Å
64P92.3Very high88.8Confident0 Ų055.5 Ų55.50%030%0.304CS..PPolyproline II helixtrans-63.5150.6-174.430.1-37.7000112.1R84 D87 E89 E103P64-R84 HydrophobicContact CG-CB 4.23Å; P64-R84 PolarHBondContact O-N 3.3Å; P64-D87 WeakPolarHBondContact CD-O 3.41Å; P64-D87 HydrophobicContact CG-CB 4.34Å; P64-E89 HydrophobicContact CB-CB 3.5Å; P64-E89 VanDerWaalsContact CB-CB 3.5Å; P64-E89 HydrophobicContact CB-CG 4.37Å; P64-E89 WeakPolarHBondContact CB-OE2 3.33Å; P64-E89 HydrophobicContact CG-CB 3.74Å; P64-E103 WeakPolarHBondContact CA-OE1 3.46Å
65V90.5Very high88.5Confident1 Ų159 Ų591%0.00631%0.314CS..BIsolated β-bridgetrans-61.9145.2174-61.10000112.4R67 V73 V81 L83 Y100 E103V65-R67 HydrophobicContact CG2-CG 4.26Å; V65-V73 HydrophobicContact CB-CG1 4.07Å; V65-V73 HydrophobicContact CG1-CG1 4.33Å; V65-V73 HydrophobicContact CG2-CG1 4.4Å; V65-V73 HydrophobicContact CG2-CG2 4.01Å; V65-V81 HydrophobicContact CB-CG1 3.95Å; V65-V81 HydrophobicContact CG1-CG1 3.3Å; V65-L83 HydrophobicContact CG1-CD2 3.84Å; V65-Y100 HydrophobicContact CG1-CD1 4.32Å; V65-Y100 HydrophobicContact CG1-CD2 3.64Å; V65-Y100 HydrophobicContact CG1-CG 3.52Å; V65-Y100 HydrophobicContact CG2-CD2 4.11Å; V65-Y100 HydrophobicContact CG2-CE2 4.36Å; V65-E103 HydrophobicContact CG1-CG 4.15Å; V65-E103 WeakPolarHBondContact CG1-OE1 3.42Å; V65-E103 PolarHBondContact N-OE1 2.96Å
66S88.8Confident88Confident18 Ų1858.2 Ų58.213%0.12630%0.304CS..PPolyproline II helixtrans-78.3131.3168.6-58.80000109.1L74 R82 R84S66-L74 PolarHBondContact O-N 3.2Å; S66-R82 PolarHBondContact N-O 2.77Å; S66-R82 PolarHBondContact OG-O 3.2Å; S66-R84 WeakPolarHBondContact OG-CG 3.5Å
67R85.8Confident87.6Confident102 Ų10256 Ų5639%0.38531%0.311SS..BIsolated β-bridgetrans-116151.3177.1-64.1-178.8-177.8160.93.6110.6V65 L72V65-R67 HydrophobicContact CG2-CG 4.26Å; R67-L72 CarbonylContact C-O 3.58Å; R67-L72 WeakPolarHBondContact CA-O 3.29Å
68D84.9Confident87Confident54 Ų5457.4 Ų57.429%0.28932%0.324SS..  trans-80.4-178.4171.668.710.8000112.1Q70 G71 L72 L74D68-Q70 VanDerWaalsContact CG-OE1 3.28Å; D68-Q70 PolarHBondContact O-N 3.05Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.35Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.36Å; D68-Q70 PolarHBondContact OD1-N 3.22Å; D68-Q70 PolarHBondContact OD1-OE1 2.56Å; D68-Q70 PolarHBondContact OD2-OE1 3.29Å; D68-G71 PolarHBondContact O-N 3.37Å; D68-G71 PolarHBondContact OD1-N 2.91Å; D68-L72 PolarHBondContact N-O 2.98Å; D68-L72 PolarHBondContact OD1-N 2.77Å; D68-L74 HydrophobicContact CB-CD2 4.01Å; D68-L74 HydrophobicContact CB-CG 4.34Å
69A81.5Confident86.3Confident106 Ų10658 Ų5888%0.87634%0.338SS*.THydrogen-bonded Turntrans-64.9-17179.200000113.5
70Q83.3Confident85.8Confident148 Ų14861.9 Ų61.969%0.69236%0.356SS*.THydrogen-bonded Turntrans-95-1.2177.5-63.283.2-4.800112.3D68 L72D68-Q70 VanDerWaalsContact CG-OE1 3.28Å; D68-Q70 PolarHBondContact O-N 3.05Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.35Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.36Å; D68-Q70 PolarHBondContact OD1-N 3.22Å; D68-Q70 PolarHBondContact OD1-OE1 2.56Å; D68-Q70 PolarHBondContact OD2-OE1 3.29Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 HydrophobicContact CB-CD1 4.44Å
71G77.3Confident85.4Confident44 Ų4461.9 Ų61.945%0.45436%0.356SS..SBendtrans80.58.8-178.700000114.4D68D68-G71 PolarHBondContact O-N 3.37Å; D68-G71 PolarHBondContact OD1-N 2.91Å
72L82.8Confident85.2Confident113 Ų11369 Ų6959%0.59238%0.383SS*.PPolyproline II helixtrans-82.5146.9175.4-68.2163.4000110.5R67 D68 Q70R67-L72 CarbonylContact C-O 3.58Å; R67-L72 WeakPolarHBondContact CA-O 3.29Å; D68-L72 PolarHBondContact N-O 2.98Å; D68-L72 PolarHBondContact OD1-N 2.77Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 HydrophobicContact CB-CD1 4.44Å
73V85Confident85Confident21 Ų2169.6 Ų69.613%0.12738%0.384CS..BIsolated β-bridgetrans-72.9130.9-178.6178.50000110.4V65 F75 V81 Y100V65-V73 HydrophobicContact CB-CG1 4.07Å; V65-V73 HydrophobicContact CG1-CG1 4.33Å; V65-V73 HydrophobicContact CG2-CG1 4.4Å; V65-V73 HydrophobicContact CG2-CG2 4.01Å; V73-F75 WeakPolarHBondContact O-CD2 3.45Å; V73-F75 VanDerWaalsContact O-CE2 3.29Å; V73-F75 WeakPolarHBondContact O-CE2 3.32Å; V73-V81 HydrophobicContact CG1-CB 4.46Å; V73-V81 HydrophobicContact CG1-CG1 3.46Å; V73-V81 VanDerWaalsContact CG1-CG1 3.46Å; V73-V81 HydrophobicContact CG1-CG2 4.39Å; V73-Y100 HydrophobicContact CG1-CE1 4.45Å; V73-Y100 HydrophobicContact CG2-CE1 4.06Å; V73-Y100 HydrophobicContact CG2-CE2 3.97Å; V73-Y100 WeakPolarHBondContact CG2-OH 3.34Å
74L86.6Confident84.8Confident64 Ų6471.5 Ų71.534%0.33539%0.388SS..PPolyproline II helixtrans-80.3134.3176.4-69.7170000110.5S66 D68 R82S66-L74 PolarHBondContact O-N 3.2Å; D68-L74 HydrophobicContact CB-CD2 4.01Å; D68-L74 HydrophobicContact CB-CG 4.34Å; L74-R82 HydrophobicContact CB-CB 4.37Å; L74-R82 WeakPolarHBondContact O-CB 3.26Å; L74-R82 PolarHBondContact O-N 3.4Å
75F84.9Confident84.6Confident125 Ų12578.2 Ų78.255%0.54842%0.419SS..BIsolated β-bridgetrans-107.1143.8174.5-60.3-86000109.8V73 G79 Q80 V81V73-F75 WeakPolarHBondContact O-CD2 3.45Å; V73-F75 VanDerWaalsContact O-CE2 3.29Å; V73-F75 WeakPolarHBondContact O-CE2 3.32Å; F75-G79 WeakPolarHBondContact CD1-O 3.07Å; F75-Q80 CarbonylContact C-O 3.51Å; F75-Q80 VanDerWaalsContact CA-O 3.3Å; F75-Q80 WeakPolarHBondContact CA-O 3.45Å; F75-V81 HydrophobicContact CD1-CG2 4.08Å; F75-V81 HydrophobicContact CE1-CG2 3.72Å
76D82.4Confident84.4Confident88 Ų8883.1 Ų83.147%0.47146%0.459SS..  trans-74.1172.4171.3-16516000111T78 G79 Q80D76-T78 PolarHBondContact O-N 2.81Å; D76-G79 PolarHBondContact O-N 3.34Å; D76-Q80 PolarHBondContact N-O 3.3Å
77V81.1Confident84.4Confident144 Ų14483.9 Ų83.987%0.87346%0.462SS*.THydrogen-bonded Turntrans-55.2-24.7179.1-80.70000114.2
78T79.9Confident84.7Confident85 Ų8581.5 Ų81.552%0.52146%0.457SS..THydrogen-bonded Turntrans-84.7-7.9176.855.60000113.4V25 D76 Q80V25-T78 WeakPolarHBondContact CG2-O 3.31Å; D76-T78 PolarHBondContact O-N 2.81Å; T78-Q80 VanDerWaalsContact C-N 3.33Å
79G79.4Confident85Confident38 Ų3880.7 Ų80.739%0.39245%0.451SS..SBendtrans84.34-171.200000114F75 D76F75-G79 WeakPolarHBondContact CD1-O 3.07Å; D76-G79 PolarHBondContact O-N 3.34Å
80Q83.8Confident85.5Confident81 Ų8177.6 Ų77.638%0.37942%0.419SS..PPolyproline II helixtrans-76.1147.6172.2-168.9169.36.700111.1V25 F75 D76 T78 R82V25-Q80 HydrophobicContact CG1-CB 4.05Å; V25-Q80 HydrophobicContact CG2-CB 4.44Å; F75-Q80 CarbonylContact C-O 3.51Å; F75-Q80 VanDerWaalsContact CA-O 3.3Å; F75-Q80 WeakPolarHBondContact CA-O 3.45Å; D76-Q80 PolarHBondContact N-O 3.3Å; T78-Q80 VanDerWaalsContact C-N 3.33Å; Q80-R82 PolarHBondContact O-N 2.97Å
81V85.4Confident85.9Confident10 Ų1070.8 Ų70.86%0.06139%0.387CS..BIsolated β-bridgetrans-64.8129.3177.2179.20000110.4V65 V73 F75 L83 Y100V65-V81 HydrophobicContact CB-CG1 3.95Å; V65-V81 HydrophobicContact CG1-CG1 3.3Å; V73-V81 HydrophobicContact CG1-CB 4.46Å; V73-V81 HydrophobicContact CG1-CG1 3.46Å; V73-V81 VanDerWaalsContact CG1-CG1 3.46Å; V73-V81 HydrophobicContact CG1-CG2 4.39Å; F75-V81 HydrophobicContact CD1-CG2 4.08Å; F75-V81 HydrophobicContact CE1-CG2 3.72Å; V81-L83 HydrophobicContact CG1-CD2 4.3Å; V81-L83 PolarHBondContact O-N 3.47Å; V81-Y100 HydrophobicContact CG1-CD1 4.36Å; V81-Y100 HydrophobicContact CG2-CD1 3.96Å
82R88.5Confident86.7Confident150 Ų15071.9 Ų71.957%0.56638%0.383SS*.PPolyproline II helixtrans-78.7116.5178-172.6175.7-178.6169.40.3110.4S66 L74 Q80S66-R82 PolarHBondContact N-O 2.77Å; S66-R82 PolarHBondContact OG-O 3.2Å; L74-R82 HydrophobicContact CB-CB 4.37Å; L74-R82 WeakPolarHBondContact O-CB 3.26Å; L74-R82 PolarHBondContact O-N 3.4Å; Q80-R82 PolarHBondContact O-N 2.97Å
83L88Confident87Confident27 Ų2769.1 Ų69.114%0.14138%0.376CS..BIsolated β-bridgetrans-98.5146.9179.5-56.5172.1000111.1N63 V65 V81 H85 E103N63-L83 WeakPolarHBondContact O-CD2 3.15Å; V65-L83 HydrophobicContact CG1-CD2 3.84Å; V81-L83 HydrophobicContact CG1-CD2 4.3Å; V81-L83 PolarHBondContact O-N 3.47Å; L83-H85 PolarHBondContact O-N 3.45Å; L83-E103 HydrophobicContact CD2-CG 4.3Å
84R89.3Confident87.3Confident83 Ų8372.1 Ų72.131%0.31339%0.388SS..  trans-88.389.4166.1-65.2-175.2-77.4160.7-12.3108.4N63 P64 S66 D87 E89N63-R84 WeakPolarHBondContact CA-O 3.47Å; P64-R84 HydrophobicContact CG-CB 4.23Å; P64-R84 PolarHBondContact O-N 3.3Å; S66-R84 WeakPolarHBondContact OG-CG 3.5Å; R84-D87 HydrophobicContact CB-CB 3.69Å; R84-D87 WeakPolarHBondContact CD-OD2 3.14Å; R84-D87 IonicContact CZ-OD2 3.83Å; R84-D87 IonicContact NE-OD2 3.96Å; R84-D87 IonicContact NH1-OD2 3.75Å; R84-D87 PolarHBondContact NH1-OD2 3.1Å; R84-D87 WeakPolarHBondContact O-CB 3.33Å; R84-D87 PolarHBondContact O-N 2.93Å; R84-E89 IonicContact NH2-OE1 3.22Å
85H88.1Confident87.4Confident141 Ų14175.8 Ų75.865%0.65341%0.408SS*.THydrogen-bonded Turntrans-63.3140.3-177.4-67.3-67.9000112.4N63 L83 D87N63-H85 WeakPolarHBondContact OD1-CA 3.32Å; L83-H85 PolarHBondContact O-N 3.45Å; H85-D87 PolarHBondContact O-N 3.09Å; H85-D87 VanDerWaalsContact O-N 3.14Å
86A85.3Confident87.7Confident103 Ų10371.5 Ų71.585%0.85139%0.393SS*.THydrogen-bonded Turntrans56.920.2-176.600000114.1N63N63-A86 PolarHBondContact OD1-N 3.33Å
87D89.5Confident88.2Confident35 Ų3568 Ų6819%0.18737%0.374CS..  trans-103.8156.8171.3-161.412.2000109.6N63 P64 R84 H85 K155N63-D87 PolarHBondContact N-O 2.76Å; P64-D87 WeakPolarHBondContact CD-O 3.41Å; P64-D87 HydrophobicContact CG-CB 4.34Å; R84-D87 HydrophobicContact CB-CB 3.69Å; R84-D87 WeakPolarHBondContact CD-OD2 3.14Å; R84-D87 IonicContact CZ-OD2 3.83Å; R84-D87 IonicContact NE-OD2 3.96Å; R84-D87 IonicContact NH1-OD2 3.75Å; R84-D87 PolarHBondContact NH1-OD2 3.1Å; R84-D87 WeakPolarHBondContact O-CB 3.33Å; R84-D87 PolarHBondContact O-N 2.93Å; H85-D87 PolarHBondContact O-N 3.09Å; H85-D87 VanDerWaalsContact O-N 3.14Å; D87-K155 VanDerWaalsContact CG-NZ 3.25Å; D87-K155 IonicContact OD1-NZ 3.01Å; D87-K155 PolarHBondContact OD1-NZ 2.8Å; D87-K155 IonicContact OD2-NZ 2.73Å; D87-K155 PolarHBondContact OD2-NZ 2.84Å
88L91Very high88.7Confident52 Ų5261.9 Ų61.927%0.27234%0.337SS..EExtended strand (participates in β ladder)trans-117148.4176.6-58.2-178.6000109.4T60 V61 A62 E106 K155T60-L88 HydrophobicContact CG2-CB 4.05Å; T60-L88 HydrophobicContact CG2-CD1 4.25Å; T60-L88 HydrophobicContact CG2-CD2 4.32Å; T60-L88 HydrophobicContact CG2-CG 4.44Å; V61-L88 CarbonylContact O-C 3.59Å; V61-L88 WeakPolarHBondContact O-CA 3.39Å; A62-L88 HydrophobicContact CB-CD2 3.8Å; L88-E106 WeakPolarHBondContact CD2-OE2 3.26Å; L88-K155 HydrophobicContact CB-CB 3.98Å; L88-K155 WeakPolarHBondContact O-CD 3.33Å
89E91.3Very high89.3Confident36 Ų3658.7 Ų58.717%0.16832%0.316CS..EExtended strand (participates in β ladder)trans-130.8127.4171-176.7178.6-140.800109.4V61 P64 R84 R91V61-E89 PolarHBondContact N-O 3.49Å; V61-E89 PolarHBondContact O-N 3.43Å; P64-E89 HydrophobicContact CB-CB 3.5Å; P64-E89 VanDerWaalsContact CB-CB 3.5Å; P64-E89 HydrophobicContact CB-CG 4.37Å; P64-E89 WeakPolarHBondContact CB-OE2 3.33Å; P64-E89 HydrophobicContact CG-CB 3.74Å; R84-E89 IonicContact NH2-OE1 3.22Å; E89-R91 HydrophobicContact CG-CG 4.24Å; E89-R91 IonicContact OE2-CZ 3.98Å; E89-R91 IonicContact OE2-NE 2.98Å; E89-R91 PolarHBondContact OE2-NE 3.48Å; E89-R91 IonicContact OE2-NH2 2.88Å; E89-R91 PolarHBondContact OE2-NH2 3.34Å
90I92.3Very high89.8Confident41 Ų4159.6 Ų59.621%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-94.7116.4176.9-66.8168.3000107.9Y58 T60 P153 R154Y58-I90 HydrophobicContact CD2-CG2 3.88Å; Y58-I90 HydrophobicContact CG-CG2 4.41Å; T60-I90 HydrophobicContact CG2-CG1 4.44Å; I90-P153 VanDerWaalsContact CD1-C 3.43Å; I90-P153 HydrophobicContact CD1-CB 4.04Å; I90-P153 WeakPolarHBondContact CD1-O 3.47Å; I90-R154 VanDerWaalsContact CD1-CA 3.46Å
91R92.8Very high90Very high6 Ų656.2 Ų56.22%0.02329%0.294CS..EExtended strand (participates in β ladder)trans-104122.1179.3-64.1-178.1-178.9164.56.4109.4Y58 C59 V61 E89 F97 E103Y58-R91 VanDerWaalsContact CA-O 3.32Å; Y58-R91 WeakPolarHBondContact CA-O 3.12Å; C59-R91 PolarHBondContact N-O 3.03Å; C59-R91 PolarHBondContact O-N 3.38Å; V61-R91 HydrophobicContact CG2-CG 4.48Å; E89-R91 HydrophobicContact CG-CG 4.24Å; E89-R91 IonicContact OE2-CZ 3.98Å; E89-R91 IonicContact OE2-NE 2.98Å; E89-R91 PolarHBondContact OE2-NE 3.48Å; E89-R91 IonicContact OE2-NH2 2.88Å; E89-R91 PolarHBondContact OE2-NH2 3.34Å; R91-F97 HydrophobicContact CB-CE1 4.27Å; R91-F97 HydrophobicContact CB-CZ 4.05Å; R91-F97 VanDerWaalsContact CD-CE2 3.47Å; R91-F97 HydrophobicContact CG-CZ 4.31Å; R91-E103 IonicContact CZ-OE1 3.74Å; R91-E103 IonicContact CZ-OE2 3.45Å; R91-E103 IonicContact NH1-OE1 2.65Å; R91-E103 IonicContact NH1-OE2 3.03Å; R91-E103 PolarHBondContact NH1-OE2 3.44Å; R91-E103 IonicContact NH2-OE1 2.75Å; R91-E103 PolarHBondContact NH2-OE1 3.17Å; R91-E103 IonicContact NH2-OE2 2.71Å; R91-E103 PolarHBondContact NH2-OE2 2.91Å
92L92.6Very high90.2Very high67 Ų6757.8 Ų57.835%0.35131%0.312SS..  trans-85.8-173.9175.3-60.3178.8000110.8Q94 L112 I152L92-Q94 PolarHBondContact O-N 3.37Å; L92-Q94 VanDerWaalsContact O-N 3.13Å; L92-L112 HydrophobicContact CD2-CD2 4.2Å; L92-I152 HydrophobicContact CD1-CG2 4.22Å; L92-I152 HydrophobicContact CD2-CG2 4.06Å
93A90.9Very high90.3Very high54 Ų5451.3 Ų51.345%0.44629%0.288SS..SBendtrans-57.7115.5174.400000111.2
94Q90.3Very high90.4Very high85 Ų8554 Ų5440%0.39731%0.305SS..  trans-150.7175.4178.764.217947.900109.2L92 F97L92-Q94 PolarHBondContact O-N 3.37Å; L92-Q94 VanDerWaalsContact O-N 3.13Å; Q94-F97 HydrophobicContact CG-CD1 3.86Å; Q94-F97 HydrophobicContact CG-CE1 4.05Å
95D89.4Confident90.5Very high141 Ų14152.3 Ų52.375%0.75430%0.303SS*.SBendtrans-58.4145.2175.6-68-33.3000111.4F97D95-F97 PolarHBondContact O-N 3.27Å
96P91.3Very high90.5Very high35 Ų3550.9 Ų50.923%0.22730%0.296CS..  trans-52128.2-178.2-25.733.1000111.7Y13 M50 V51 T52Y13-P96 HydrophobicContact CD1-CB 3.86Å; Y13-P96 HydrophobicContact CD1-CG 3.78Å; Y13-P96 HydrophobicContact CE1-CG 4.08Å; Y13-P96 HydrophobicContact CG-CB 4.49Å; Y13-P96 HydrophobicContact CG-CG 4.45Å; M50-P96 HydrophobicContact CB-CB 3.87Å; M50-P96 HydrophobicContact SD-CB 4.24Å; M50-P96 VanDerWaalsContact SD-O 3.41Å; V51-P96 WeakPolarHBondContact O-CA 3.46Å; T52-P96 HydrophobicContact CG2-CG 4.18Å
97F91.8Very high90.7Very high14 Ų1451.3 Ų51.36%0.06128%0.279CS..BIsolated β-bridgetrans-122.4147.3-174.659.3-90.7000112.2M50 V51 V53 R91 Q94 D95 L99M50-F97 WeakPolarHBondContact CA-O 3.34Å; M50-F97 WeakPolarHBondContact CB-O 3.35Å; V51-F97 HydrophobicContact CB-CD2 4.25Å; V51-F97 HydrophobicContact CB-CE1 4.23Å; V51-F97 HydrophobicContact CB-CE2 3.72Å; V51-F97 HydrophobicContact CB-CZ 3.72Å; V51-F97 HydrophobicContact CG1-CE1 4.22Å; V51-F97 HydrophobicContact CG1-CE2 4.12Å; V51-F97 HydrophobicContact CG1-CZ 3.68Å; V51-F97 HydrophobicContact CG2-CE2 4.19Å; V51-F97 PolarHBondContact N-O 3.41Å; V51-F97 PolarHBondContact O-N 2.95Å; V51-F97 VanDerWaalsContact O-N 3.17Å; V53-F97 HydrophobicContact CG2-CE1 3.9Å; V53-F97 HydrophobicContact CG2-CZ 4.24Å; R91-F97 HydrophobicContact CB-CE1 4.27Å; R91-F97 HydrophobicContact CB-CZ 4.05Å; R91-F97 VanDerWaalsContact CD-CE2 3.47Å; R91-F97 HydrophobicContact CG-CZ 4.31Å; Q94-F97 HydrophobicContact CG-CD1 3.86Å; Q94-F97 HydrophobicContact CG-CE1 4.05Å; D95-F97 PolarHBondContact O-N 3.27Å; F97-L99 HydrophobicContact CE2-CD2 4.17Å
98P92.2Very high90.8Very high16 Ų1655 Ų5510%0.10430%0.298CS..PPolyproline II helixtrans-77.7153169.634.1-34.6000110.9Y15 V28 V30 M50Y15-P98 HydrophobicContact CD1-CB 3.69Å; Y15-P98 HydrophobicContact CD2-CB 3.75Å; Y15-P98 HydrophobicContact CE1-CB 4.23Å; Y15-P98 HydrophobicContact CE2-CB 4.29Å; Y15-P98 HydrophobicContact CG-CB 3.42Å; Y15-P98 VanDerWaalsContact CG-CB 3.42Å; V28-P98 HydrophobicContact CG1-CB 3.82Å; V28-P98 HydrophobicContact CG1-CG 4Å; V30-P98 HydrophobicContact CG2-CB 4.36Å; V30-P98 HydrophobicContact CG2-CG 3.89Å; M50-P98 HydrophobicContact CE-CB 4.24Å; M50-P98 HydrophobicContact CE-CG 4.26Å
99L91.5Very high90.8Very high17 Ų1755.6 Ų55.69%0.08930%0.301CS..PPolyproline II helixtrans-83.5132.4163.4-62.4174.1000108.4Y15 H17 V51 V61 F97 E103 L105Y15-L99 HydrophobicContact CE2-CB 4.5Å; Y15-L99 VanDerWaalsContact CE2-O 3.31Å; Y15-L99 WeakPolarHBondContact CE2-O 3.41Å; Y15-L99 WeakPolarHBondContact OH-CB 3.09Å; H17-L99 PolarHBondContact CE1-O 3.3Å; H17-L99 PolarHBondContact NE2-O 3.36Å; V51-L99 HydrophobicContact CG2-CD1 4.34Å; V51-L99 HydrophobicContact CG2-CD2 4.3Å; V51-L99 HydrophobicContact CG2-CG 4.11Å; V61-L99 HydrophobicContact CG1-CD2 4.19Å; V61-L99 HydrophobicContact CG2-CD2 4.07Å; F97-L99 HydrophobicContact CE2-CD2 4.17Å; L99-E103 WeakPolarHBondContact CA-OE2 3.35Å; L99-E103 HydrophobicContact CB-CB 4.21Å; L99-E103 HydrophobicContact CD2-CB 4.38Å; L99-L105 HydrophobicContact CD1-CB 4.13Å
100Y91.5Very high90.9Very high57 Ų5756.3 Ų56.322%0.22431%0.308CS..PPolyproline II helixtrans-76.1161.1175.9-74.1-91.8000111.6V28 V65 V73 V81 G102 E103V28-Y100 HydrophobicContact CB-CD1 4.44Å; V28-Y100 HydrophobicContact CG2-CD1 3.87Å; V28-Y100 HydrophobicContact CG2-CE1 4.42Å; V28-Y100 HydrophobicContact CG2-CG 4.34Å; V65-Y100 HydrophobicContact CG1-CD1 4.32Å; V65-Y100 HydrophobicContact CG1-CD2 3.64Å; V65-Y100 HydrophobicContact CG1-CG 3.52Å; V65-Y100 HydrophobicContact CG2-CD2 4.11Å; V65-Y100 HydrophobicContact CG2-CE2 4.36Å; V73-Y100 HydrophobicContact CG1-CE1 4.45Å; V73-Y100 HydrophobicContact CG2-CE1 4.06Å; V73-Y100 HydrophobicContact CG2-CE2 3.97Å; V73-Y100 WeakPolarHBondContact CG2-OH 3.34Å; V81-Y100 HydrophobicContact CG1-CD1 4.36Å; V81-Y100 HydrophobicContact CG2-CD1 3.96Å; Y100-G102 PolarHBondContact O-N 3.17Å; Y100-G102 VanDerWaalsContact O-N 3.11Å; Y100-E103 PolarHBondContact N-OE2 3.22Å; Y100-E103 WeakPolarHBondContact O-CB 3.23Å; Y100-E103 PolarHBondContact O-N 3.08Å
101P88.3Confident90.9Very high11 Ų1158.1 Ų58.17%0.07132%0.323CS..THydrogen-bonded Turntrans-63.1118.6-178.1-19.635.4000109.9H17 S26 V28H17-P101 WeakPolarHBondContact CE1-CA 3.46Å; S26-P101 WeakPolarHBondContact OG-CB 3.27Å; V28-P101 HydrophobicContact CG2-CG 4.1Å
102G87.8Confident90.9Very high43 Ų4359 Ų5944%0.44333%0.327SS..THydrogen-bonded Turntrans97.5-14.1-175.100000115.1Y100Y100-G102 PolarHBondContact O-N 3.17Å; Y100-G102 VanDerWaalsContact O-N 3.11Å
103E92.3Very high90.8Very high13 Ų1359.3 Ų59.36%0.06133%0.327CS..  trans-70.2136.8164.9-69.5-168.9150.900109.7V61 A62 P64 V65 L83 R91 L99 Y100V61-E103 HydrophobicContact CG1-CB 3.8Å; V61-E103 HydrophobicContact CG1-CG 4.02Å; A62-E103 WeakPolarHBondContact O-CA 3.25Å; P64-E103 WeakPolarHBondContact CA-OE1 3.46Å; V65-E103 HydrophobicContact CG1-CG 4.15Å; V65-E103 WeakPolarHBondContact CG1-OE1 3.42Å; V65-E103 PolarHBondContact N-OE1 2.96Å; L83-E103 HydrophobicContact CD2-CG 4.3Å; R91-E103 IonicContact CZ-OE1 3.74Å; R91-E103 IonicContact CZ-OE2 3.45Å; R91-E103 IonicContact NH1-OE1 2.65Å; R91-E103 IonicContact NH1-OE2 3.03Å; R91-E103 PolarHBondContact NH1-OE2 3.44Å; R91-E103 IonicContact NH2-OE1 2.75Å; R91-E103 PolarHBondContact NH2-OE1 3.17Å; R91-E103 IonicContact NH2-OE2 2.71Å; R91-E103 PolarHBondContact NH2-OE2 2.91Å; L99-E103 WeakPolarHBondContact CA-OE2 3.35Å; L99-E103 HydrophobicContact CB-CB 4.21Å; L99-E103 HydrophobicContact CD2-CB 4.38Å; Y100-E103 PolarHBondContact N-OE2 3.22Å; Y100-E103 WeakPolarHBondContact O-CB 3.23Å; Y100-E103 PolarHBondContact O-N 3.08Å
104V90.1Very high90.9Very high83 Ų8361 Ų6150%0.50333%0.331SS..EExtended strand (participates in β ladder)trans-125.9133.6176.5-178.20000108.7V61 A62 E106V61-V104 CarbonylContact C-O 3.59Å; V61-V104 WeakPolarHBondContact CA-O 3.38Å; A62-V104 PolarHBondContact N-O 2.7Å; A62-V104 PolarHBondContact O-N 3Å; V104-E106 PolarHBondContact O-N 3.22Å; V104-E106 VanDerWaalsContact O-N 3.12Å
105L89.8Confident91Very high49 Ų4957.1 Ų57.126%0.25731%0.314SS..EExtended strand (participates in β ladder)trans-74.8100.2170.8-163.470000108.3C59 V61 L99C59-L105 HydrophobicContact CB-CD1 3.8Å; V61-L105 HydrophobicContact CG2-CD1 4.1Å; L99-L105 HydrophobicContact CD1-CB 4.13Å
106E89.9Confident91.2Very high111 Ų11155.6 Ų55.652%0.51931%0.305SS..EExtended strand (participates in β ladder)trans-78-50.6-177.3-177.2-177.2-153.200111.3T60 A62 L88 V104T60-E106 PolarHBondContact O-N 3.01Å; A62-E106 HydrophobicContact CB-CB 4.08Å; L88-E106 WeakPolarHBondContact CD2-OE2 3.26Å; V104-E106 PolarHBondContact O-N 3.22Å; V104-E106 VanDerWaalsContact O-N 3.12Å
107K88.6Confident91.2Very high112 Ų11257.5 Ų57.549%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-108.7122.5169.4-71-178.6177.1174.50109C59 T60C59-K107 WeakPolarHBondContact CB-O 3.31Å; T60-K107 PolarHBondContact N-O 2.99Å; T60-K107 VanDerWaalsContact N-O 3.12Å; T60-K107 PolarHBondContact O-N 2.95Å
108D90.5Very high91.2Very high111 Ų11161.4 Ų61.459%0.59434%0.339SS*.EExtended strand (participates in β ladder)trans-65.2173174.5-153-9.8000111.1T110D108-T110 PolarHBondContact O-N 2.74Å; D108-T110 PolarHBondContact O-OG1 2.77Å
109I91.9Very high91.3Very high66 Ų6661.8 Ų61.834%0.33834%0.341SS..EExtended strand (participates in β ladder)trans-55.3108.6-175.9-59.8164.1000110T52 P54 H57T52-I109 WeakPolarHBondContact O-CD1 3.36Å; P54-I109 HydrophobicContact CG-CG2 4.32Å; H57-I109 HydrophobicContact CB-CG2 3.89Å
110T92.5Very high91.4Very high51 Ų5161 Ų6131%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-118.5135.8-174.8-560000109.3H57 Y58 D108H57-T110 CarbonylContact C-O 3.59Å; H57-T110 VanDerWaalsContact CA-O 3.25Å; H57-T110 WeakPolarHBondContact CA-O 3.09Å; H57-T110 WeakPolarHBondContact CB-O 3.45Å; Y58-T110 VanDerWaalsContact CD1-O 3.31Å; Y58-T110 WeakPolarHBondContact CD1-O 3.02Å; Y58-T110 HydrophobicContact CE1-CG2 3.93Å; Y58-T110 PolarHBondContact N-O 3.34Å; Y58-T110 PolarHBondContact O-N 3.34Å; D108-T110 PolarHBondContact O-N 2.74Å; D108-T110 PolarHBondContact O-OG1 2.77Å
111P93.5Very high91.5Very high79 Ų7958.3 Ų58.351%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-62.8143.1174.225.9-33.9000110.9
112L92.8Very high91.8Very high23 Ų2358.3 Ų58.312%0.1233%0.325CS..PPolyproline II helixtrans-63137170.3-67.7173.9000109.3R56 Y58 L92 V114 T150R56-L112 WeakPolarHBondContact O-CB 3.2Å; R56-L112 WeakPolarHBondContact O-CG 3.49Å; R56-L112 PolarHBondContact O-N 2.9Å; Y58-L112 HydrophobicContact CD1-CD2 3.69Å; Y58-L112 HydrophobicContact CD1-CG 4.44Å; Y58-L112 HydrophobicContact CG-CD2 4.18Å; L92-L112 HydrophobicContact CD2-CD2 4.2Å; L112-V114 PolarHBondContact O-N 2.8Å; L112-T150 HydrophobicContact CB-CG2 3.48Å; L112-T150 VanDerWaalsContact CB-CG2 3.48Å; L112-T150 HydrophobicContact CD1-CG2 3.81Å; L112-T150 HydrophobicContact CG-CG2 4.28Å
113Q90.6Very high92.1Very high74 Ų7456.4 Ų56.435%0.34631%0.305SS..EExtended strand (participates in β ladder)trans-73119.1-178.4-171.2165.617.400110L121 Y151Q113-L121 HydrophobicContact CG-CD1 4.43Å; Q113-Y151 PolarHBondContact O-N 3.5Å
114V91.8Very high92.1Very high89 Ų8959.1 Ų59.154%0.53932%0.317SS..EExtended strand (participates in β ladder)trans-87.1117173.2-178.20000108L112L112-V114 PolarHBondContact O-N 2.8Å
115V92.9Very high92.3Very high5 Ų555.2 Ų55.23%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-91.9119.6176.7-173.10000107.5T119 L121 F145 P148 G149V115-T119 VanDerWaalsContact CG1-O 3.27Å; V115-T119 WeakPolarHBondContact CG1-O 3.15Å; V115-T119 WeakPolarHBondContact CG1-OG1 3.45Å; V115-L121 HydrophobicContact CG2-CD1 3.58Å; V115-L121 HydrophobicContact CG2-CD2 4.34Å; V115-L121 HydrophobicContact CG2-CG 3.63Å; V115-F145 HydrophobicContact CB-CD1 4.17Å; V115-F145 HydrophobicContact CB-CE1 4.06Å; V115-F145 HydrophobicContact CG2-CD1 3.69Å; V115-F145 HydrophobicContact CG2-CE1 3.75Å; V115-P148 WeakPolarHBondContact O-CA 3.46Å; V115-G149 PolarHBondContact N-O 2.97Å; V115-G149 PolarHBondContact O-N 3.31Å; V115-G149 VanDerWaalsContact O-N 3.09Å
116L93.4Very high92.3Very high108 Ų10857.2 Ų57.257%0.56530%0.304SS*.PPolyproline II helixtrans-76.4159-175.3-62.5176.8000110.5T119L116-T119 HydrophobicContact CB-CG2 4.44Å; L116-T119 PolarHBondContact N-OG1 3.23Å; L116-T119 VanDerWaalsContact N-OG1 3.07Å; L116-T119 PolarHBondContact O-N 2.93Å; L116-T119 PolarHBondContact O-OG1 2.8Å
117P92.1Very high92.3Very high76 Ų7657 Ų5749%0.49431%0.305SS..THydrogen-bonded Turntrans-50.7144.5167-20.629.5000110.8T119 P148P117-T119 PolarHBondContact O-N 3.03Å; P117-P148 HydrophobicContact CG-CB 3.97Å; P117-P148 HydrophobicContact CG-CG 4.3Å
118N92Very high92.4Very high96 Ų9657 Ų5751%0.51331%0.311SS..THydrogen-bonded Turntrans6319.3-178.7-51.4-32.8000114.8A165 A203N118-A165 HydrophobicContact CB-CB 3.83Å; N118-A165 VanDerWaalsContact O-CB 3.31Å; N118-A165 WeakPolarHBondContact O-CB 3.27Å; N118-A165 PolarHBondContact O-N 3.48Å; N118-A203 HydrophobicContact CB-CB 4.29Å
119T93.4Very high92.4Very high23 Ų2352.9 Ų52.914%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-130.2152.3170.3650000109.7V115 L116 P117 G147 I163 Q164V115-T119 VanDerWaalsContact CG1-O 3.27Å; V115-T119 WeakPolarHBondContact CG1-O 3.15Å; V115-T119 WeakPolarHBondContact CG1-OG1 3.45Å; L116-T119 HydrophobicContact CB-CG2 4.44Å; L116-T119 PolarHBondContact N-OG1 3.23Å; L116-T119 VanDerWaalsContact N-OG1 3.07Å; L116-T119 PolarHBondContact O-N 2.93Å; L116-T119 PolarHBondContact O-OG1 2.8Å; P117-T119 PolarHBondContact O-N 3.03Å; T119-G147 PolarHBondContact O-N 3.38Å; T119-I163 CarbonylContact C-O 3.43Å; T119-I163 VanDerWaalsContact CA-O 3.28Å; T119-I163 WeakPolarHBondContact CA-O 3.21Å; T119-Q164 HydrophobicContact CG2-CG 4.29Å
120A93.7Very high92.1Very high0 Ų056 Ų560%030%0.301CS..EExtended strand (participates in β ladder)trans-137.9154173.600000111.6L144 F145 E146 I162 I163 L205A120-L144 HydrophobicContact CB-CB 4.14Å; A120-L144 HydrophobicContact CB-CD1 4.28Å; A120-L144 HydrophobicContact CB-CD2 4.41Å; A120-F145 VanDerWaalsContact CA-O 3.22Å; A120-F145 WeakPolarHBondContact CA-O 3.44Å; A120-F145 WeakPolarHBondContact CB-O 3.46Å; A120-E146 HydrophobicContact CB-CG 4.47Å; A120-I162 CarbonylContact O-C 3.46Å; A120-I162 WeakPolarHBondContact O-CA 3.46Å; A120-I163 PolarHBondContact N-O 3.13Å; A120-I163 PolarHBondContact O-N 3.13Å; A120-L205 HydrophobicContact CB-CD1 4.18Å; A120-L205 HydrophobicContact CB-CD2 3.75Å; A120-L205 HydrophobicContact CB-CG 4.39Å
121L94.1Very high91.6Very high1 Ų155.7 Ų55.71%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-93.1125.7166.2-59.7176.4000108.7Q113 V115 L123 L144 F145 Y151 V159 I162Q113-L121 HydrophobicContact CG-CD1 4.43Å; V115-L121 HydrophobicContact CG2-CD1 3.58Å; V115-L121 HydrophobicContact CG2-CD2 4.34Å; V115-L121 HydrophobicContact CG2-CG 3.63Å; L121-L123 HydrophobicContact CB-CD2 4.03Å; L121-L123 HydrophobicContact CB-CG 4.41Å; L121-L123 PolarHBondContact O-N 3.46Å; L121-L144 WeakPolarHBondContact O-CA 3.4Å; L121-F145 HydrophobicContact CB-CB 4.32Å; L121-F145 PolarHBondContact N-O 3.02Å; L121-F145 PolarHBondContact O-N 3.33Å; L121-Y151 HydrophobicContact CD1-CD1 3.69Å; L121-Y151 HydrophobicContact CD1-CD2 4.22Å; L121-Y151 HydrophobicContact CD1-CE1 4.43Å; L121-Y151 HydrophobicContact CD1-CG 3.56Å; L121-V159 HydrophobicContact CB-CG1 4.31Å; L121-V159 HydrophobicContact CD1-CG1 4.5Å; L121-V159 HydrophobicContact CD2-CG1 4.05Å; L121-I162 HydrophobicContact CD2-CD1 4.49Å; L121-I162 HydrophobicContact CD2-CG1 3.78Å
122H93.9Very high90.8Very high11 Ų1159.8 Ų59.85%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-77.7116.4166.5179.1-162.7000108.5E142 L144 V160 E161 I163H122-E142 IonicContact CE1-OE2 3.3Å; H122-E142 PolarHBondContact CE1-OE2 2.93Å; H122-E142 VanDerWaalsContact CE1-OE2 3.31Å; H122-E142 IonicContact NE2-OE2 3.83Å; H122-E142 PolarHBondContact NE2-OE2 3.45Å; H122-L144 HydrophobicContact CB-CD2 4.13Å; H122-V160 HydrophobicContact CB-CB 4.34Å; H122-V160 PolarHBondContact O-N 3.38Å; H122-E161 HydrophobicContact CB-CG 3.79Å; H122-E161 PolarHBondContact N-O 3.26Å; H122-E161 IonicContact ND1-OE1 3.12Å; H122-I163 HydrophobicContact CB-CD1 4.14Å; H122-I163 HydrophobicContact CB-CG1 4.34Å
123L93.8Very high90.1Very high3 Ų365.1 Ų65.12%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-109.5144.7-177.5-59.6-178.7000109.9L121 E142 W143 F145 Y151 V157 E158 V159L121-L123 HydrophobicContact CB-CD2 4.03Å; L121-L123 HydrophobicContact CB-CG 4.41Å; L121-L123 PolarHBondContact O-N 3.46Å; L123-E142 CarbonylContact O-C 3.56Å; L123-E142 WeakPolarHBondContact O-CA 3.31Å; L123-W143 HydrophobicContact CB-CD2 4.05Å; L123-W143 HydrophobicContact CB-CG 4.47Å; L123-W143 HydrophobicContact CB-CH2 4.45Å; L123-W143 HydrophobicContact CB-CZ2 3.98Å; L123-W143 HydrophobicContact CD1-CZ2 4.16Å; L123-W143 PolarHBondContact N-O 2.98Å; L123-W143 PolarHBondContact O-N 2.84Å; L123-F145 HydrophobicContact CD1-CB 3.8Å; L123-F145 HydrophobicContact CG-CB 4.44Å; L123-Y151 HydrophobicContact CD1-CD2 4.23Å; L123-Y151 HydrophobicContact CD1-CE2 3.46Å; L123-Y151 VanDerWaalsContact CD1-CE2 3.46Å; L123-Y151 HydrophobicContact CD2-CE1 4.31Å; L123-Y151 HydrophobicContact CD2-CE2 3.89Å; L123-Y151 HydrophobicContact CG-CE2 4.34Å; L123-V157 HydrophobicContact CB-CG1 3.77Å; L123-V157 HydrophobicContact CD1-CG1 4.23Å; L123-V157 HydrophobicContact CD2-CG1 4.13Å; L123-V157 HydrophobicContact CG-CG1 4.25Å; L123-E158 CarbonylContact C-O 3.5Å; L123-E158 VanDerWaalsContact CA-O 3.32Å; L123-E158 WeakPolarHBondContact CA-O 3.35Å; L123-V159 HydrophobicContact CD2-CB 4.27Å; L123-V159 HydrophobicContact CD2-CG1 4.5Å; L123-V159 HydrophobicContact CD2-CG2 3.7Å
124K93.7Very high89.6Confident70 Ų7063.9 Ų63.930%0.30434%0.342SS..EExtended strand (participates in β ladder)trans-131.7130.3175.7-177.7171.5-173.1156.60110.7D141 E142 V157 E158 V160K124-D141 CarbonylContact C-O 3.43Å; K124-D141 WeakPolarHBondContact CA-O 3.4Å; K124-E142 HydrophobicContact CB-CG 4.03Å; K124-E142 HydrophobicContact CD-CG 4.19Å; K124-E142 HydrophobicContact CG-CG 3.86Å; K124-E142 IonicContact NZ-OE1 2.62Å; K124-E142 PolarHBondContact NZ-OE1 3.11Å; K124-V157 WeakPolarHBondContact O-CA 3.13Å; K124-E158 PolarHBondContact N-O 2.96Å; K124-E158 PolarHBondContact O-N 3Å; K124-V160 HydrophobicContact CB-CG2 3.61Å; K124-V160 HydrophobicContact CD-CG2 4.42Å
125A92.8Very high89.2Confident1 Ų164.8 Ų64.81%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-73.8126.2172.800000110.4F129 V137 V138 G140 D141 W143 E156A125-F129 HydrophobicContact CB-CE1 4.21Å; A125-V137 HydrophobicContact CB-CG1 3.66Å; A125-V138 WeakPolarHBondContact CB-O 3.09Å; A125-G140 PolarHBondContact O-N 3Å; A125-D141 PolarHBondContact N-O 3.46Å; A125-W143 HydrophobicContact CB-CH2 4.1Å; A125-W143 HydrophobicContact CB-CZ3 3.79Å; A125-E156 CarbonylContact C-O 3.58Å; A125-E156 WeakPolarHBondContact CA-O 3.45Å
126L91.2Very high88.9Confident91 Ų9172.2 Ų72.248%0.47638%0.376SS..SBendtrans-88.8-28.3172.2-63.9178.8000112E156 E158L126-E156 PolarHBondContact N-O 3.32Å; L126-E158 HydrophobicContact CD1-CB 4.13Å; L126-E158 HydrophobicContact CD2-CB 4.19Å; L126-E158 HydrophobicContact CG-CB 4.06Å
127L89.1Confident88.7Confident106 Ų10668 Ų6856%0.55536%0.355SS*.SBendtrans-139.6154.1-175.5-64.4170.6000109.6F129 E156L127-F129 WeakPolarHBondContact O-CD1 3.36Å; L127-E156 HydrophobicContact CB-CB 4.24Å; L127-E156 HydrophobicContact CB-CG 4.28Å
128D90.1Very high88.6Confident113 Ų11367.9 Ų67.960%0.60435%0.353SS*.  trans-68.2131.1174.8-58.6-6.1000110.3V137 V138 A139D128-V137 VanDerWaalsContact CA-O 3.28Å; D128-V137 WeakPolarHBondContact CA-O 3.32Å; D128-V138 WeakPolarHBondContact OD1-CA 3.21Å; D128-A139 WeakPolarHBondContact OD1-CB 3.46Å; D128-A139 PolarHBondContact OD1-N 3.44Å
129F90.3Very high88.4Confident25 Ų2565.7 Ų65.711%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-149.3162.4174.170.8-86.6000112A125 L127 D131 V137 W143 R154 E156 V157A125-F129 HydrophobicContact CB-CE1 4.21Å; L127-F129 WeakPolarHBondContact O-CD1 3.36Å; F129-D131 HydrophobicContact CE2-CB 4.22Å; F129-V137 HydrophobicContact CD1-CB 4.19Å; F129-V137 HydrophobicContact CD1-CG1 4.49Å; F129-V137 HydrophobicContact CE1-CB 3.79Å; F129-V137 HydrophobicContact CE1-CG1 3.78Å; F129-V137 HydrophobicContact CE1-CG2 4.34Å; F129-V137 HydrophobicContact CE2-CB 4.2Å; F129-V137 HydrophobicContact CE2-CG2 3.97Å; F129-V137 HydrophobicContact CZ-CB 3.79Å; F129-V137 HydrophobicContact CZ-CG1 3.97Å; F129-V137 HydrophobicContact CZ-CG2 3.81Å; F129-V137 PolarHBondContact N-O 3.15Å; F129-V137 PolarHBondContact O-N 3.38Å; F129-W143 HydrophobicContact CE1-CH2 4.12Å; F129-W143 AromaticContact CZ-CH2 3.95Å; F129-W143 HydrophobicContact CZ-CH2 3.95Å; F129-W143 HydrophobicContact CZ-CZ2 4.24Å; F129-R154 VanDerWaalsContact CE2-NH1 3.26Å; F129-E156 HydrophobicContact CB-CB 4.42Å; F129-E156 HydrophobicContact CB-CG 4.08Å; F129-E156 HydrophobicContact CD1-CB 3.5Å; F129-E156 HydrophobicContact CD1-CG 4.12Å; F129-E156 HydrophobicContact CE1-CB 4.05Å; F129-E156 HydrophobicContact CG-CB 4.14Å; F129-E156 HydrophobicContact CG-CG 4.29Å; F129-V157 HydrophobicContact CE1-CG2 3.65Å; F129-V157 HydrophobicContact CZ-CG2 3.75Å
130E86.9Confident88.1Confident130 Ų13066.5 Ų66.561%0.60736%0.361SS*.EExtended strand (participates in β ladder)trans-96.4124.6171.5-72.1178.9174.500109.3D135 K136E130-D135 CarbonylContact C-O 3.58Å; E130-D135 WeakPolarHBondContact CA-O 3.37Å; E130-K136 HydrophobicContact CG-CG 3.98Å; E130-K136 VanDerWaalsContact OE1-CE 3.24Å; E130-K136 WeakPolarHBondContact OE1-CE 3.48Å
131D81.4Confident87.9Confident46 Ų4670 Ų7025%0.24638%0.379CS..  trans-73.4171176.3-156.12.5000111.5F129 D133 G134 D135 V137 R154F129-D131 HydrophobicContact CE2-CB 4.22Å; D131-D133 PolarHBondContact O-N 2.97Å; D131-D133 VanDerWaalsContact O-N 3.15Å; D131-G134 PolarHBondContact O-N 3.3Å; D131-D135 PolarHBondContact N-O 2.88Å; D131-V137 HydrophobicContact CB-CG2 4.42Å; D131-R154 IonicContact OD1-CZ 2.81Å; D131-R154 IonicContact OD1-NH1 2.7Å; D131-R154 PolarHBondContact OD1-NH1 3.36Å; D131-R154 IonicContact OD1-NH2 2.63Å; D131-R154 PolarHBondContact OD1-NH2 3.35Å
132K76.7Confident87.8Confident164 Ų16472.6 Ų72.671%0.71339%0.391SS*.THydrogen-bonded Turntrans-57.6-28.6-179.3-69.2178.5179.21790113.3G134K132-G134 VanDerWaalsContact C-N 3.29Å
133D77.2Confident87.7Confident136 Ų13675.5 Ų75.573%0.72740%0.402SS*.THydrogen-bonded Turntrans-85-4.2179.1-59.7-45.4000112.7D131D131-D133 PolarHBondContact O-N 2.97Å; D131-D133 VanDerWaalsContact O-N 3.15Å
134G80.7Confident87.6Confident47 Ų4776.8 Ų76.849%0.48541%0.409SS..SBendtrans90.93-179.500000114.4D131 K132D131-G134 PolarHBondContact O-N 3.3Å; K132-G134 VanDerWaalsContact C-N 3.29Å
135D83.7Confident87.5Confident108 Ų10876.3 Ų76.358%0.57841%0.407SS*.  trans-75.2136.5178.1-67.9-38.1000111.5E130 D131 V137E130-D135 CarbonylContact C-O 3.58Å; E130-D135 WeakPolarHBondContact CA-O 3.37Å; D131-D135 PolarHBondContact N-O 2.88Å; D135-V137 PolarHBondContact O-N 3.04Å
136K87.3Confident87.5Confident161 Ų16180.8 Ų80.870%0.743%0.427SS*.EExtended strand (participates in β ladder)trans-84.7110.7177.6-69.8-178.5178.2-173.60109.5E130E130-K136 HydrophobicContact CG-CG 3.98Å; E130-K136 VanDerWaalsContact OE1-CE 3.24Å; E130-K136 WeakPolarHBondContact OE1-CE 3.48Å
137V88Confident87.5Confident21 Ų2177.4 Ų77.413%0.12742%0.415CS..EExtended strand (participates in β ladder)trans-92.2127.2172.1-174.80000108.1A125 D128 F129 D131 D135 D141 W143A125-V137 HydrophobicContact CB-CG1 3.66Å; D128-V137 VanDerWaalsContact CA-O 3.28Å; D128-V137 WeakPolarHBondContact CA-O 3.32Å; F129-V137 HydrophobicContact CD1-CB 4.19Å; F129-V137 HydrophobicContact CD1-CG1 4.49Å; F129-V137 HydrophobicContact CE1-CB 3.79Å; F129-V137 HydrophobicContact CE1-CG1 3.78Å; F129-V137 HydrophobicContact CE1-CG2 4.34Å; F129-V137 HydrophobicContact CE2-CB 4.2Å; F129-V137 HydrophobicContact CE2-CG2 3.97Å; F129-V137 HydrophobicContact CZ-CB 3.79Å; F129-V137 HydrophobicContact CZ-CG1 3.97Å; F129-V137 HydrophobicContact CZ-CG2 3.81Å; F129-V137 PolarHBondContact N-O 3.15Å; F129-V137 PolarHBondContact O-N 3.38Å; D131-V137 HydrophobicContact CB-CG2 4.42Å; D135-V137 PolarHBondContact O-N 3.04Å; V137-D141 HydrophobicContact CG1-CB 3.89Å; V137-W143 HydrophobicContact CG1-CE3 4.45Å; V137-W143 HydrophobicContact CG1-CH2 4.06Å; V137-W143 HydrophobicContact CG1-CZ3 3.72Å
138V90Very high87.7Confident73 Ų7377.3 Ų77.344%0.44242%0.421SS..PPolyproline II helixtrans-98.2148.1-178.6-175.60000109.8A125 D128 G140 D141A125-V138 WeakPolarHBondContact CB-O 3.09Å; D128-V138 WeakPolarHBondContact OD1-CA 3.21Å; V138-G140 PolarHBondContact O-N 2.84Å; V138-D141 PolarHBondContact N-OD2 3.38Å; V138-D141 VanDerWaalsContact O-CB 3.23Å; V138-D141 WeakPolarHBondContact O-CB 3.48Å; V138-D141 VanDerWaalsContact O-CG 3.26Å; V138-D141 PolarHBondContact O-N 2.91Å
139A87.8Confident87.7Confident50 Ų5073 Ų7341%0.41340%0.402SS..THydrogen-bonded Turntrans-54.6125.7174.200000111.1D128D128-A139 WeakPolarHBondContact OD1-CB 3.46Å; D128-A139 PolarHBondContact OD1-N 3.44Å
140G87.3Confident87.8Confident39 Ų3974.6 Ų74.640%0.40241%0.414SS..THydrogen-bonded Turntrans97.3-10.1-174.400000114.6A125 V138A125-G140 PolarHBondContact O-N 3Å; V138-G140 PolarHBondContact O-N 2.84Å
141D90.1Very high88.1Confident74 Ų7469 Ų6940%0.39639%0.388SS..  trans-64.2140.5171.5-71.9-16000110.3K124 A125 V137 V138 W143K124-D141 CarbonylContact C-O 3.43Å; K124-D141 WeakPolarHBondContact CA-O 3.4Å; A125-D141 PolarHBondContact N-O 3.46Å; V137-D141 HydrophobicContact CG1-CB 3.89Å; V138-D141 PolarHBondContact N-OD2 3.38Å; V138-D141 VanDerWaalsContact O-CB 3.23Å; V138-D141 WeakPolarHBondContact O-CB 3.48Å; V138-D141 VanDerWaalsContact O-CG 3.26Å; V138-D141 PolarHBondContact O-N 2.91Å; D141-W143 WeakPolarHBondContact O-CZ3 3.31Å
142E91.6Very high88.6Confident55 Ų5570.3 Ų70.326%0.25739%0.394SS..EExtended strand (participates in β ladder)trans-128.5133.3-176.5-67.6179.6-170.300109.7H122 L123 K124 V208H122-E142 IonicContact CE1-OE2 3.3Å; H122-E142 PolarHBondContact CE1-OE2 2.93Å; H122-E142 VanDerWaalsContact CE1-OE2 3.31Å; H122-E142 IonicContact NE2-OE2 3.83Å; H122-E142 PolarHBondContact NE2-OE2 3.45Å; L123-E142 CarbonylContact O-C 3.56Å; L123-E142 WeakPolarHBondContact O-CA 3.31Å; K124-E142 HydrophobicContact CB-CG 4.03Å; K124-E142 HydrophobicContact CD-CG 4.19Å; K124-E142 HydrophobicContact CG-CG 3.86Å; K124-E142 IonicContact NZ-OE1 2.62Å; K124-E142 PolarHBondContact NZ-OE1 3.11Å; E142-V208 HydrophobicContact CB-CG1 3.55Å
143W91.1Very high89.3Confident73 Ų7363.4 Ų63.428%0.27737%0.366SS..EExtended strand (participates in β ladder)trans-147.6171-179.768.6101.8000111.3L123 A125 F129 V137 D141 V157L123-W143 HydrophobicContact CB-CD2 4.05Å; L123-W143 HydrophobicContact CB-CG 4.47Å; L123-W143 HydrophobicContact CB-CH2 4.45Å; L123-W143 HydrophobicContact CB-CZ2 3.98Å; L123-W143 HydrophobicContact CD1-CZ2 4.16Å; L123-W143 PolarHBondContact N-O 2.98Å; L123-W143 PolarHBondContact O-N 2.84Å; A125-W143 HydrophobicContact CB-CH2 4.1Å; A125-W143 HydrophobicContact CB-CZ3 3.79Å; F129-W143 HydrophobicContact CE1-CH2 4.12Å; F129-W143 AromaticContact CZ-CH2 3.95Å; F129-W143 HydrophobicContact CZ-CH2 3.95Å; F129-W143 HydrophobicContact CZ-CZ2 4.24Å; V137-W143 HydrophobicContact CG1-CE3 4.45Å; V137-W143 HydrophobicContact CG1-CH2 4.06Å; V137-W143 HydrophobicContact CG1-CZ3 3.72Å; D141-W143 WeakPolarHBondContact O-CZ3 3.31Å; W143-V157 HydrophobicContact CH2-CB 4.36Å; W143-V157 HydrophobicContact CH2-CG1 3.74Å; W143-V157 HydrophobicContact CH2-CG2 3.7Å; W143-V157 HydrophobicContact CZ2-CB 4.46Å; W143-V157 HydrophobicContact CZ2-CG1 3.69Å; W143-V157 HydrophobicContact CZ2-CG2 3.86Å
144L92Very high89.9Confident30 Ų3060.4 Ų60.416%0.15734%0.344CS..EExtended strand (participates in β ladder)trans-104.6138.1176.9-61.3-175.2000111.4A120 L121 H122 E146 I163 P206 V208A120-L144 HydrophobicContact CB-CB 4.14Å; A120-L144 HydrophobicContact CB-CD1 4.28Å; A120-L144 HydrophobicContact CB-CD2 4.41Å; L121-L144 WeakPolarHBondContact O-CA 3.4Å; H122-L144 HydrophobicContact CB-CD2 4.13Å; L144-E146 HydrophobicContact CB-CG 4.24Å; L144-I163 HydrophobicContact CD2-CD1 3.69Å; L144-P206 VanDerWaalsContact CD1-O 3.24Å; L144-P206 WeakPolarHBondContact CD1-O 3.5Å; L144-V208 HydrophobicContact CD2-CG2 3.73Å; L144-V208 HydrophobicContact CG-CG2 3.71Å
145F93.1Very high90.3Very high59 Ų5961.1 Ų61.126%0.25933%0.334SS..EExtended strand (participates in β ladder)trans-97.599.9159-179.4-88.8000108.4V115 A120 L121 L123 Y151V115-F145 HydrophobicContact CB-CD1 4.17Å; V115-F145 HydrophobicContact CB-CE1 4.06Å; V115-F145 HydrophobicContact CG2-CD1 3.69Å; V115-F145 HydrophobicContact CG2-CE1 3.75Å; A120-F145 VanDerWaalsContact CA-O 3.22Å; A120-F145 WeakPolarHBondContact CA-O 3.44Å; A120-F145 WeakPolarHBondContact CB-O 3.46Å; L121-F145 HydrophobicContact CB-CB 4.32Å; L121-F145 PolarHBondContact N-O 3.02Å; L121-F145 PolarHBondContact O-N 3.33Å; L123-F145 HydrophobicContact CD1-CB 3.8Å; L123-F145 HydrophobicContact CG-CB 4.44Å; F145-Y151 HydrophobicContact CB-CD2 4.3Å; F145-Y151 HydrophobicContact CD1-CD2 4.21Å; F145-Y151 AromaticContact CD2-CD2 3.98Å; F145-Y151 HydrophobicContact CD2-CD2 3.98Å; F145-Y151 HydrophobicContact CE2-CD2 4.35Å; F145-Y151 AromaticContact CG-CD2 3.9Å; F145-Y151 HydrophobicContact CG-CD2 3.9Å
146E92.3Very high90.6Very high95 Ų9557.8 Ų57.844%0.44432%0.315SS..EExtended strand (participates in β ladder)trans-79.3136.1-177.4-56.2-170.9163.100111.8A120 L144 R185 L205A120-E146 HydrophobicContact CB-CG 4.47Å; L144-E146 HydrophobicContact CB-CG 4.24Å; E146-R185 IonicContact OE1-CZ 3.24Å; E146-R185 IonicContact OE1-NH1 3.33Å; E146-R185 IonicContact OE1-NH2 3.97Å; E146-R185 PolarHBondContact OE1-NH2 2.95Å; E146-L205 HydrophobicContact CB-CD2 4.37Å; E146-L205 HydrophobicContact CG-CD2 3.92Å
147G90.7Very high90.9Very high20 Ų2050.8 Ų50.821%0.20629%0.286CS..SBendtrans-79.7166.8172.200000113.5T119T119-G147 PolarHBondContact O-N 3.38Å
148P93Very high91.1Very high105 Ų10554.4 Ų54.468%0.68230%0.301SS*.SBendcis-80126.31.328.9-31.4000112.8V115 P117V115-P148 WeakPolarHBondContact O-CA 3.46Å; P117-P148 HydrophobicContact CG-CB 3.97Å; P117-P148 HydrophobicContact CG-CG 4.3Å
149G90.9Very high91.2Very high21 Ų2153.6 Ų53.622%0.21630%0.297CS..EExtended strand (participates in β ladder)trans-163.9157.3-178.800000112.2V115V115-G149 PolarHBondContact N-O 2.97Å; V115-G149 PolarHBondContact O-N 3.31Å; V115-G149 VanDerWaalsContact O-N 3.09Å
150T91.5Very high91.4Very high60 Ų6054.5 Ų54.537%0.36830%0.297SS..EExtended strand (participates in β ladder)trans-98114.8169.4-57.10000108.2L112L112-T150 HydrophobicContact CB-CG2 3.48Å; L112-T150 VanDerWaalsContact CB-CG2 3.48Å; L112-T150 HydrophobicContact CD1-CG2 3.81Å; L112-T150 HydrophobicContact CG-CG2 4.28Å
151Y93.2Very high91.6Very high13 Ų1357.3 Ų57.35%0.05130%0.299CS..EExtended strand (participates in β ladder)trans-74.2128.6179.4177.1-113.5000110Q113 L121 L123 F145 P153 V159Q113-Y151 PolarHBondContact O-N 3.5Å; L121-Y151 HydrophobicContact CD1-CD1 3.69Å; L121-Y151 HydrophobicContact CD1-CD2 4.22Å; L121-Y151 HydrophobicContact CD1-CE1 4.43Å; L121-Y151 HydrophobicContact CD1-CG 3.56Å; L123-Y151 HydrophobicContact CD1-CD2 4.23Å; L123-Y151 HydrophobicContact CD1-CE2 3.46Å; L123-Y151 VanDerWaalsContact CD1-CE2 3.46Å; L123-Y151 HydrophobicContact CD2-CE1 4.31Å; L123-Y151 HydrophobicContact CD2-CE2 3.89Å; L123-Y151 HydrophobicContact CG-CE2 4.34Å; F145-Y151 HydrophobicContact CB-CD2 4.3Å; F145-Y151 HydrophobicContact CD1-CD2 4.21Å; F145-Y151 AromaticContact CD2-CD2 3.98Å; F145-Y151 HydrophobicContact CD2-CD2 3.98Å; F145-Y151 HydrophobicContact CE2-CD2 4.35Å; F145-Y151 AromaticContact CG-CD2 3.9Å; F145-Y151 HydrophobicContact CG-CD2 3.9Å; Y151-P153 HydrophobicContact CD1-CG 4.12Å; Y151-P153 HydrophobicContact CE1-CB 4.1Å; Y151-P153 HydrophobicContact CE1-CG 3.98Å; Y151-P153 WeakPolarHBondContact O-CD 3.1Å; Y151-V159 HydrophobicContact CD1-CG2 4.26Å; Y151-V159 HydrophobicContact CE1-CG2 3.53Å
152I91.9Very high91.7Very high73 Ų7358.5 Ų58.537%0.37431%0.305SS..  trans-102.3109.9173.5-62.3175.2000107.2L92L92-I152 HydrophobicContact CD1-CG2 4.22Å; L92-I152 HydrophobicContact CD2-CG2 4.06Å
153P91.5Very high91.7Very high19 Ų1957 Ų5712%0.12330%0.298CS..  trans-60147.7-179.8-25.336.8000112.1Y58 I90 Y151Y58-P153 HydrophobicContact CD1-CG 4.24Å; Y58-P153 HydrophobicContact CD2-CG 4.41Å; Y58-P153 HydrophobicContact CE1-CG 3.79Å; Y58-P153 HydrophobicContact CE2-CB 4.21Å; Y58-P153 HydrophobicContact CE2-CG 3.98Å; I90-P153 VanDerWaalsContact CD1-C 3.43Å; I90-P153 HydrophobicContact CD1-CB 4.04Å; I90-P153 WeakPolarHBondContact CD1-O 3.47Å; Y151-P153 HydrophobicContact CD1-CG 4.12Å; Y151-P153 HydrophobicContact CE1-CB 4.1Å; Y151-P153 HydrophobicContact CE1-CG 3.98Å; Y151-P153 WeakPolarHBondContact O-CD 3.1Å
154R90.3Very high91.8Very high72 Ų7260.4 Ų60.427%0.27232%0.317SS..  trans-120.9155.7172.3-67.3-168.2-172.7-177.610.5109.5I90 F129 D131 E156 V157I90-R154 VanDerWaalsContact CD1-CA 3.46Å; F129-R154 VanDerWaalsContact CE2-NH1 3.26Å; D131-R154 IonicContact OD1-CZ 2.81Å; D131-R154 IonicContact OD1-NH1 2.7Å; D131-R154 PolarHBondContact OD1-NH1 3.36Å; D131-R154 IonicContact OD1-NH2 2.63Å; D131-R154 PolarHBondContact OD1-NH2 3.35Å; R154-E156 VanDerWaalsContact C-N 3.3Å; R154-V157 HydrophobicContact CB-CB 4.11Å; R154-V157 HydrophobicContact CB-CG2 3.85Å
155K87.9Confident91.8Very high62 Ų6259.9 Ų59.927%0.2732%0.317SS..THydrogen-bonded Turntrans-75-27.2-179.563.9-178.6-170.7166.70111.8D87 L88 V157D87-K155 VanDerWaalsContact CG-NZ 3.25Å; D87-K155 IonicContact OD1-NZ 3.01Å; D87-K155 PolarHBondContact OD1-NZ 2.8Å; D87-K155 IonicContact OD2-NZ 2.73Å; D87-K155 PolarHBondContact OD2-NZ 2.84Å; L88-K155 HydrophobicContact CB-CB 3.98Å; L88-K155 WeakPolarHBondContact O-CD 3.33Å; K155-V157 VanDerWaalsContact C-N 3.3Å
156E90.9Very high91.8Very high39 Ų3958.8 Ų58.818%0.18232%0.315CS..THydrogen-bonded Turntrans-84.6-4.9-179.9-52.385.217900112.5A125 L126 L127 F129 R154A125-E156 CarbonylContact C-O 3.58Å; A125-E156 WeakPolarHBondContact CA-O 3.45Å; L126-E156 PolarHBondContact N-O 3.32Å; L127-E156 HydrophobicContact CB-CB 4.24Å; L127-E156 HydrophobicContact CB-CG 4.28Å; F129-E156 HydrophobicContact CB-CB 4.42Å; F129-E156 HydrophobicContact CB-CG 4.08Å; F129-E156 HydrophobicContact CD1-CB 3.5Å; F129-E156 HydrophobicContact CD1-CG 4.12Å; F129-E156 HydrophobicContact CE1-CB 4.05Å; F129-E156 HydrophobicContact CG-CB 4.14Å; F129-E156 HydrophobicContact CG-CG 4.29Å; R154-E156 VanDerWaalsContact C-N 3.3Å
157V92.7Very high91.8Very high14 Ų1459.8 Ų59.89%0.08532%0.322CS..EExtended strand (participates in β ladder)trans-125.2127.3-170-173.90000110.9L123 K124 F129 W143 R154 K155L123-V157 HydrophobicContact CB-CG1 3.77Å; L123-V157 HydrophobicContact CD1-CG1 4.23Å; L123-V157 HydrophobicContact CD2-CG1 4.13Å; L123-V157 HydrophobicContact CG-CG1 4.25Å; K124-V157 WeakPolarHBondContact O-CA 3.13Å; F129-V157 HydrophobicContact CE1-CG2 3.65Å; F129-V157 HydrophobicContact CZ-CG2 3.75Å; W143-V157 HydrophobicContact CH2-CB 4.36Å; W143-V157 HydrophobicContact CH2-CG1 3.74Å; W143-V157 HydrophobicContact CH2-CG2 3.7Å; W143-V157 HydrophobicContact CZ2-CB 4.46Å; W143-V157 HydrophobicContact CZ2-CG1 3.69Å; W143-V157 HydrophobicContact CZ2-CG2 3.86Å; R154-V157 HydrophobicContact CB-CB 4.11Å; R154-V157 HydrophobicContact CB-CG2 3.85Å; K155-V157 VanDerWaalsContact C-N 3.3Å
158E92.4Very high92Very high96 Ų9658.9 Ų58.945%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-97.5139.4172.9-175.8174.2-154.700110.6L123 K124 L126L123-E158 CarbonylContact C-O 3.5Å; L123-E158 VanDerWaalsContact CA-O 3.32Å; L123-E158 WeakPolarHBondContact CA-O 3.35Å; K124-E158 PolarHBondContact N-O 2.96Å; K124-E158 PolarHBondContact O-N 3Å; L126-E158 HydrophobicContact CD1-CB 4.13Å; L126-E158 HydrophobicContact CD2-CB 4.19Å; L126-E158 HydrophobicContact CG-CB 4.06Å
159V92.3Very high91.9Very high57 Ų5762.1 Ų62.135%0.34531%0.312SS..EExtended strand (participates in β ladder)trans-89.2107.9168.2-178.10000107.5L121 L123 Y151L121-V159 HydrophobicContact CB-CG1 4.31Å; L121-V159 HydrophobicContact CD1-CG1 4.5Å; L121-V159 HydrophobicContact CD2-CG1 4.05Å; L123-V159 HydrophobicContact CD2-CB 4.27Å; L123-V159 HydrophobicContact CD2-CG1 4.5Å; L123-V159 HydrophobicContact CD2-CG2 3.7Å; Y151-V159 HydrophobicContact CD1-CG2 4.26Å; Y151-V159 HydrophobicContact CE1-CG2 3.53Å
160V92.2Very high91.9Very high68 Ų6867.6 Ų67.641%0.41233%0.332SS..EExtended strand (participates in β ladder)trans-77.5-57-176.7-178.20000110.5H122 K124H122-V160 HydrophobicContact CB-CB 4.34Å; H122-V160 PolarHBondContact O-N 3.38Å; K124-V160 HydrophobicContact CB-CG2 3.61Å; K124-V160 HydrophobicContact CD-CG2 4.42Å
161E92.4Very high91.9Very high98 Ų9868.2 Ų68.246%0.45833%0.332SS..EExtended strand (participates in β ladder)trans-154.9169.3-178.164179.3-175.500113H122 I163H122-E161 HydrophobicContact CB-CG 3.79Å; H122-E161 PolarHBondContact N-O 3.26Å; H122-E161 IonicContact ND1-OE1 3.12Å; E161-I163 HydrophobicContact CG-CG1 4.28Å
162I92.1Very high91.9Very high99 Ų9969.1 Ų69.151%0.50834%0.337SS..EExtended strand (participates in β ladder)trans-103.9116174-52.9178000107.8A120 L121A120-I162 CarbonylContact O-C 3.46Å; A120-I162 WeakPolarHBondContact O-CA 3.46Å; L121-I162 HydrophobicContact CD2-CD1 4.49Å; L121-I162 HydrophobicContact CD2-CG1 3.78Å
163I92.1Very high91.9Very high24 Ų2465.6 Ų65.612%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-92.7130.4177.2-56.6-175.5000109T119 A120 H122 L144 E161 L205 P206T119-I163 CarbonylContact C-O 3.43Å; T119-I163 VanDerWaalsContact CA-O 3.28Å; T119-I163 WeakPolarHBondContact CA-O 3.21Å; A120-I163 PolarHBondContact N-O 3.13Å; A120-I163 PolarHBondContact O-N 3.13Å; H122-I163 HydrophobicContact CB-CD1 4.14Å; H122-I163 HydrophobicContact CB-CG1 4.34Å; L144-I163 HydrophobicContact CD2-CD1 3.69Å; E161-I163 HydrophobicContact CG-CG1 4.28Å; I163-L205 HydrophobicContact CG2-CD1 4.02Å; I163-P206 HydrophobicContact CG2-CG 4.45Å
164Q92.7Very high92Very high145 Ų14564.7 Ų64.768%0.67831%0.313SS*.EExtended strand (participates in β ladder)trans-103.4142.4173.3-63.3-174.5-13.200109.9T119T119-Q164 HydrophobicContact CG2-CG 4.29Å
165A92.5Very high92.2Very high19 Ų1964 Ų6416%0.15731%0.311CS..PPolyproline II helixtrans-67140.5173.900000111.1N118 A203 Y204 L205N118-A165 HydrophobicContact CB-CB 3.83Å; N118-A165 VanDerWaalsContact O-CB 3.31Å; N118-A165 WeakPolarHBondContact O-CB 3.27Å; N118-A165 PolarHBondContact O-N 3.48Å; A165-A203 HydrophobicContact CB-CB 3.9Å; A165-Y204 CarbonylContact C-O 3.59Å; A165-Y204 VanDerWaalsContact CA-O 3.23Å; A165-Y204 WeakPolarHBondContact CA-O 3.45Å; A165-Y204 WeakPolarHBondContact CB-O 3.4Å; A165-L205 HydrophobicContact CB-CB 4.16Å; A165-L205 HydrophobicContact CB-CD1 4.23Å
166T92.5Very high92.5Very high36 Ų3661 Ų6122%0.22130%0.298CS..EExtended strand (participates in β ladder)trans-89.3130.3171.8-56.60000109.2I168 L174 Y204 L215T166-I168 PolarHBondContact O-N 2.87Å; T166-L174 HydrophobicContact CG2-CD1 3.68Å; T166-Y204 PolarHBondContact N-O 3.41Å; T166-Y204 PolarHBondContact O-N 3.22Å; T166-L215 HydrophobicContact CG2-CD1 4.13Å; T166-L215 HydrophobicContact CG2-CD2 4.2Å; T166-L215 HydrophobicContact CG2-CG 4.27Å
167I92.6Very high92.6Very high115 Ų11563.1 Ų63.159%0.5930%0.304SS*.EExtended strand (participates in β ladder)trans-85.1114-178.7-58173.2000109.1
168I93.3Very high92.7Very high2 Ų262.6 Ų62.61%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-92.5116.2173.2-51.9176.2000107.7T166 Q172 L174 V198 G202 Y204 L215T166-I168 PolarHBondContact O-N 2.87Å; I168-Q172 HydrophobicContact CG2-CB 4.26Å; I168-Q172 WeakPolarHBondContact CG2-O 3.47Å; I168-L174 HydrophobicContact CD1-CB 3.53Å; I168-L174 HydrophobicContact CD1-CD2 4.35Å; I168-L174 HydrophobicContact CG1-CB 3.95Å; I168-V198 HydrophobicContact CD1-CB 4.24Å; I168-V198 HydrophobicContact CD1-CG1 3.99Å; I168-G202 PolarHBondContact N-O 3.45Å; I168-G202 PolarHBondContact O-N 3.47Å; I168-Y204 HydrophobicContact CD1-CG 4.32Å; I168-L215 HydrophobicContact CG1-CD2 4.49Å
169R92.5Very high92.6Very high173 Ų17364.6 Ų64.665%0.65330%0.304SS*.PPolyproline II helixtrans-85.7171.8176.1-57.9178.7178.2151.91.2110.9N171 Q172R169-N171 PolarHBondContact O-N 2.86Å; R169-Q172 HydrophobicContact CB-CG 4.25Å; R169-Q172 VanDerWaalsContact CB-OE1 3.27Å; R169-Q172 PolarHBondContact O-N 3.42Å; R169-Q172 VanDerWaalsContact O-N 3.16Å
170Q90.7Very high92.4Very high136 Ų13667.8 Ų67.864%0.63631%0.313SS*.THydrogen-bonded Turntrans-54.9137.9168.1-169.860.944.100110Q172Q170-Q172 PolarHBondContact O-N 3.44Å
171N91.1Very high92.3Very high72 Ų7270.8 Ų70.839%0.38532%0.323SS..THydrogen-bonded Turntrans61.925.9-178-55.6-14.6000113.9R169 A218 A258R169-N171 PolarHBondContact O-N 2.86Å; N171-A218 HydrophobicContact CB-CB 3.81Å; N171-A218 VanDerWaalsContact O-CB 3.24Å; N171-A218 WeakPolarHBondContact O-CB 3.15Å; N171-A218 PolarHBondContact O-N 2.85Å; N171-A258 HydrophobicContact CB-CB 4.45Å
172Q92.7Very high92Very high32 Ų3266.8 Ų66.815%0.1531%0.306CS..EExtended strand (participates in β ladder)trans-124.8154.9168.8-61.8-171.6-44.200109.3I168 R169 Q170 V216 D217I168-Q172 HydrophobicContact CG2-CB 4.26Å; I168-Q172 WeakPolarHBondContact CG2-O 3.47Å; R169-Q172 HydrophobicContact CB-CG 4.25Å; R169-Q172 VanDerWaalsContact CB-OE1 3.27Å; R169-Q172 PolarHBondContact O-N 3.42Å; R169-Q172 VanDerWaalsContact O-N 3.16Å; Q170-Q172 PolarHBondContact O-N 3.44Å; Q172-V216 CarbonylContact C-O 3.52Å; Q172-V216 WeakPolarHBondContact CA-O 3.27Å; Q172-D217 WeakPolarHBondContact CG-OD1 3.36Å; Q172-D217 PolarHBondContact NE2-OD1 2.67Å
173A92.4Very high91.8Very high0 Ų070.5 Ų70.50%031%0.314CS..EExtended strand (participates in β ladder)trans-133.6151168.500000110.8L197 V198 T199 L215 V216 V260A173-L197 HydrophobicContact CB-CB 4.18Å; A173-L197 HydrophobicContact CB-CD1 4.46Å; A173-L197 HydrophobicContact CB-CD2 3.98Å; A173-L197 HydrophobicContact CB-CG 4.44Å; A173-V198 CarbonylContact C-O 3.53Å; A173-V198 VanDerWaalsContact CA-O 3.24Å; A173-V198 WeakPolarHBondContact CA-O 3.27Å; A173-V198 WeakPolarHBondContact CB-O 3.4Å; A173-T199 HydrophobicContact CB-CG2 3.96Å; A173-L215 CarbonylContact O-C 3.59Å; A173-L215 WeakPolarHBondContact O-CA 3.19Å; A173-V216 PolarHBondContact N-O 3.39Å; A173-V216 PolarHBondContact O-N 3.36Å; A173-V260 HydrophobicContact CB-CG1 3.68Å
174L94.3Very high91.6Very high0 Ų069.8 Ų69.80%031%0.31CS..EExtended strand (participates in β ladder)trans-95.6121.9175.2-170.466.7000109.6T166 I168 L176 L197 V198 Y204 V212 L215T166-L174 HydrophobicContact CG2-CD1 3.68Å; I168-L174 HydrophobicContact CD1-CB 3.53Å; I168-L174 HydrophobicContact CD1-CD2 4.35Å; I168-L174 HydrophobicContact CG1-CB 3.95Å; L174-L176 HydrophobicContact CD2-CD2 3.81Å; L174-L176 HydrophobicContact CD2-CG 4.39Å; L174-L176 HydrophobicContact CG-CD2 3.99Å; L174-L176 HydrophobicContact CG-CG 4.38Å; L174-L197 CarbonylContact O-C 3.57Å; L174-L197 WeakPolarHBondContact O-CA 3.25Å; L174-V198 HydrophobicContact CB-CB 4.42Å; L174-V198 PolarHBondContact N-O 3.19Å; L174-V198 PolarHBondContact O-N 2.91Å; L174-Y204 HydrophobicContact CD2-CD1 3.63Å; L174-Y204 HydrophobicContact CD2-CE1 4.38Å; L174-Y204 HydrophobicContact CD2-CG 4.15Å; L174-V212 HydrophobicContact CD1-CG1 3.61Å; L174-V212 HydrophobicContact CD2-CG2 4.32Å; L174-V212 HydrophobicContact CG-CG1 4.31Å; L174-L215 HydrophobicContact CB-CD2 4.46Å; L174-L215 HydrophobicContact CD1-CD2 3.8Å; L174-L215 HydrophobicContact CD1-CG 4.1Å
175R94.4Very high91.2Very high56 Ų5668.2 Ų68.221%0.21130%0.298CS..EExtended strand (participates in β ladder)trans-86.4121.9173.4-165.4-174.8-175.5154.50.8110E195 W196 L197 L213 D214 V216 V263R175-E195 IonicContact CZ-OE2 3.52Å; R175-E195 IonicContact NE-OE2 2.71Å; R175-E195 PolarHBondContact NE-OE2 2.8Å; R175-E195 IonicContact NH2-OE2 3.59Å; R175-E195 PolarHBondContact NH2-OE2 3.22Å; R175-W196 WeakPolarHBondContact CA-O 3.38Å; R175-L197 HydrophobicContact CB-CD2 3.76Å; R175-L197 HydrophobicContact CG-CD2 4.12Å; R175-L213 HydrophobicContact CB-CB 4.33Å; R175-L213 HydrophobicContact CG-CB 4.37Å; R175-L213 HydrophobicContact CG-CD1 4.12Å; R175-L213 PolarHBondContact O-N 2.91Å; R175-D214 WeakPolarHBondContact CB-OD1 3.48Å; R175-D214 WeakPolarHBondContact CD-OD1 3.24Å; R175-D214 PolarHBondContact N-O 3.26Å; R175-V216 HydrophobicContact CB-CG2 4.22Å; R175-V263 HydrophobicContact CG-CG2 4.43Å
176L94Very high90.8Very high0 Ų073.1 Ų73.10%032%0.322CS..EExtended strand (participates in β ladder)trans-113.5153.4178.9-62.4177.8000110.3L174 E195 W196 V198 Y204 E211 V212L174-L176 HydrophobicContact CD2-CD2 3.81Å; L174-L176 HydrophobicContact CD2-CG 4.39Å; L174-L176 HydrophobicContact CG-CD2 3.99Å; L174-L176 HydrophobicContact CG-CG 4.38Å; L176-E195 CarbonylContact O-C 3.55Å; L176-E195 WeakPolarHBondContact O-CA 3.16Å; L176-W196 HydrophobicContact CB-CD2 4.07Å; L176-W196 HydrophobicContact CB-CE3 4.43Å; L176-W196 HydrophobicContact CB-CH2 4.05Å; L176-W196 HydrophobicContact CB-CZ2 3.65Å; L176-W196 HydrophobicContact CB-CZ3 4.42Å; L176-W196 HydrophobicContact CD1-CZ2 3.82Å; L176-W196 HydrophobicContact CG-CZ2 4.4Å; L176-W196 PolarHBondContact N-O 3.43Å; L176-W196 PolarHBondContact O-N 3.24Å; L176-V198 HydrophobicContact CD1-CG2 3.65Å; L176-V198 HydrophobicContact CG-CG2 4.41Å; L176-Y204 HydrophobicContact CD1-CD1 4.42Å; L176-Y204 HydrophobicContact CD1-CE1 3.52Å; L176-E211 CarbonylContact C-O 3.55Å; L176-E211 VanDerWaalsContact CA-O 3.3Å; L176-E211 WeakPolarHBondContact CA-O 3.27Å; L176-V212 HydrophobicContact CD2-CB 4.34Å; L176-V212 HydrophobicContact CD2-CG2 3.76Å
177R93.8Very high90.5Very high84 Ų8473.7 Ų73.732%0.31734%0.335SS..EExtended strand (participates in β ladder)trans-128.4135170-175.9171.566.6-172.90.6110.5R179 E194 E195 E211 L213R177-R179 PolarHBondContact O-N 3.39Å; R177-E194 CarbonylContact C-O 3.58Å; R177-E194 VanDerWaalsContact CA-O 3.3Å; R177-E194 WeakPolarHBondContact CA-O 3.41Å; R177-E195 HydrophobicContact CB-CG 3.95Å; R177-E195 HydrophobicContact CG-CG 3.93Å; R177-E211 HydrophobicContact CB-CB 4.34Å; R177-E211 IonicContact CZ-OE1 2.8Å; R177-E211 IonicContact CZ-OE2 3.93Å; R177-E211 PolarHBondContact N-O 2.99Å; R177-E211 IonicContact NE-OE2 3.31Å; R177-E211 PolarHBondContact NE-OE2 3.44Å; R177-E211 IonicContact NH2-OE1 3.18Å; R177-E211 PolarHBondContact NH2-OE1 3.32Å; R177-E211 IonicContact NH2-OE2 2.92Å; R177-E211 PolarHBondContact NH2-OE2 2.86Å; R177-E211 WeakPolarHBondContact O-CB 3.31Å; R177-E211 PolarHBondContact O-N 2.89Å; R177-L213 HydrophobicContact CB-CD1 3.92Å; R177-L213 HydrophobicContact CB-CD2 4.22Å; R177-L213 HydrophobicContact CB-CG 4.02Å
178A93.2Very high90.3Very high2 Ų273.8 Ų73.82%0.01733%0.331CS..EExtended strand (participates in β ladder)trans-75.5118.4175.500000110.1K180 R190 V191 G193 E194 W196A178-K180 VanDerWaalsContact C-N 3.31Å; A178-R190 HydrophobicContact CB-CB 4.02Å; A178-V191 WeakPolarHBondContact CB-O 3.22Å; A178-G193 PolarHBondContact O-N 2.96Å; A178-E194 PolarHBondContact N-O 2.95Å; A178-W196 HydrophobicContact CB-CH2 4.12Å; A178-W196 HydrophobicContact CB-CZ3 3.73Å; A178-W196 VanDerWaalsContact N-CZ3 3.33Å
179R90.2Very high90.3Very high139 Ų13979.5 Ų79.553%0.52536%0.357SS..SBendtrans-72.4-28171.9-67.9-176.1170.5174.81112.3R177 T192 F209 E211R177-R179 PolarHBondContact O-N 3.39Å; R179-T192 WeakPolarHBondContact O-CG2 3.45Å; R179-F209 PolarHBondContact N-O 2.99Å; R179-E211 HydrophobicContact CG-CB 3.91Å
180K88.9Confident90.3Very high123 Ų12372.2 Ų72.254%0.53533%0.33SS..SBendtrans-150.5163.4-179.4-166.4176.3178.2-173.20108.6A178 C182 F209A178-K180 VanDerWaalsContact C-N 3.31Å; K180-C182 PolarHBondContact O-N 3.25Å; K180-C182 VanDerWaalsContact O-N 3.15Å; K180-F209 HydrophobicContact CB-CB 4.36Å; K180-F209 HydrophobicContact CB-CD1 4.08Å; K180-F209 HydrophobicContact CB-CG 4.23Å; K180-F209 HydrophobicContact CD-CD1 4.48Å; K180-F209 HydrophobicContact CD-CE1 4.34Å
181E89.2Confident90.4Very high131 Ų13169.6 Ų69.661%0.61232%0.323SS*.SBendtrans-52.7118.8168.6-69.4169.8-173.200110.4R190 T192E181-R190 VanDerWaalsContact CA-O 3.29Å; E181-R190 WeakPolarHBondContact CA-O 3.19Å; E181-T192 PolarHBondContact N-OG1 3.29Å
182C87.3Confident90.3Very high15 Ų1570 Ų7010%0.10133%0.328CS..EExtended strand (participates in β ladder)trans-150.8165.8-175.566.90000111.2K180 R190 F209K180-C182 PolarHBondContact O-N 3.25Å; K180-C182 VanDerWaalsContact O-N 3.15Å; C182-R190 PolarHBondContact N-O 2.82Å; C182-R190 VanDerWaalsContact N-O 3.17Å; C182-R190 PolarHBondContact O-N 3.12Å; C182-F209 HydrophobicContact CB-CB 3.78Å; C182-F209 HydrophobicContact CB-CD2 3.92Å; C182-F209 HydrophobicContact CB-CG 4.29Å
183W88.4Confident90.2Very high177 Ų17770.6 Ų70.667%0.6734%0.343SS*.EExtended strand (participates in β ladder)trans-98.1123.9170.9-63.379.9000107.5G187 E189W183-G187 WeakPolarHBondContact CZ3-O 3.43Å; W183-E189 HydrophobicContact CE3-CB 4.41Å; W183-E189 HydrophobicContact CH2-CB 4.3Å; W183-E189 HydrophobicContact CZ2-CB 4.49Å; W183-E189 HydrophobicContact CZ3-CB 4.26Å
184D87.3Confident90.2Very high8 Ų873.1 Ų73.14%0.04336%0.355CS..  trans-70.1170.6173.470.516.5000111.2D186 G187 K188 R190 W196D184-D186 PolarHBondContact O-N 3.41Å; D184-D186 VanDerWaalsContact O-N 3.15Å; D184-D186 WeakPolarHBondContact OD1-CA 3.37Å; D184-D186 PolarHBondContact OD1-N 3.15Å; D184-G187 PolarHBondContact O-N 2.94Å; D184-G187 PolarHBondContact OD1-N 3.08Å; D184-K188 PolarHBondContact N-O 3.04Å; D184-K188 PolarHBondContact OD1-N 2.92Å; D184-K188 WeakPolarHBondContact OD2-CB 3.32Å; D184-R190 HydrophobicContact CB-CG 4.14Å; D184-R190 IonicContact OD2-CZ 3.44Å; D184-R190 IonicContact OD2-NE 3.03Å; D184-R190 PolarHBondContact OD2-NE 3Å; D184-R190 IonicContact OD2-NH2 3.33Å; D184-R190 PolarHBondContact OD2-NH2 2.91Å; D184-W196 HydrophobicContact CB-CZ2 4.17Å
185R84.6Confident90.1Very high113 Ų11375.5 Ų75.543%0.42637%0.366SS..THydrogen-bonded Turntrans-61.8-18.9178.3-73.4-163.5178.2-96.6-2.2114.7E146 G187 Y204 L205E146-R185 IonicContact OE1-CZ 3.24Å; E146-R185 IonicContact OE1-NH1 3.33Å; E146-R185 IonicContact OE1-NH2 3.97Å; E146-R185 PolarHBondContact OE1-NH2 2.95Å; R185-G187 VanDerWaalsContact C-N 3.32Å; R185-Y204 HydrophobicContact CB-CE2 4.46Å; R185-Y204 HydrophobicContact CG-CE2 4.41Å; R185-L205 PolarHBondContact NE-O 3.25Å; R185-L205 VanDerWaalsContact NE-O 3.11Å; R185-L205 PolarHBondContact NH2-O 3.28Å
186D84.2Confident90Very high122 Ų12273.2 Ų73.265%0.65236%0.357SS*.THydrogen-bonded Turntrans-89.70177.1-62.3-39.5000112.1D184D184-D186 PolarHBondContact O-N 3.41Å; D184-D186 VanDerWaalsContact O-N 3.15Å; D184-D186 WeakPolarHBondContact OD1-CA 3.37Å; D184-D186 PolarHBondContact OD1-N 3.15Å
187G86.2Confident89.9Confident48 Ų4874.6 Ų74.650%0.49536%0.364SS..SBendtrans82.619.3177.800000114.2W183 D184 R185W183-G187 WeakPolarHBondContact CZ3-O 3.43Å; D184-G187 PolarHBondContact O-N 2.94Å; D184-G187 PolarHBondContact OD1-N 3.08Å; R185-G187 VanDerWaalsContact C-N 3.32Å
188K88.1Confident89.8Confident116 Ų11670.8 Ų70.850%0.50435%0.35SS..  trans-96.1133.6176.4-170.5174.8174-166.70110.6D184 R190D184-K188 PolarHBondContact N-O 3.04Å; D184-K188 PolarHBondContact OD1-N 2.92Å; D184-K188 WeakPolarHBondContact OD2-CB 3.32Å; K188-R190 PolarHBondContact O-N 2.98Å
189E92.6Very high89.6Confident122 Ų12275 Ų7557%0.5738%0.376SS*.EExtended strand (participates in β ladder)trans-69.9127.2174.5-172176.2-161.300110.1W183W183-E189 HydrophobicContact CE3-CB 4.41Å; W183-E189 HydrophobicContact CH2-CB 4.3Å; W183-E189 HydrophobicContact CZ2-CB 4.49Å; W183-E189 HydrophobicContact CZ3-CB 4.26Å
190R92.8Very high89.6Confident20 Ų2072.8 Ų72.88%0.07538%0.378CS..EExtended strand (participates in β ladder)trans-115.6136.8179.8-57.7-58-179157.510.8110A178 E181 C182 D184 K188 E194 W196A178-R190 HydrophobicContact CB-CB 4.02Å; E181-R190 VanDerWaalsContact CA-O 3.29Å; E181-R190 WeakPolarHBondContact CA-O 3.19Å; C182-R190 PolarHBondContact N-O 2.82Å; C182-R190 VanDerWaalsContact N-O 3.17Å; C182-R190 PolarHBondContact O-N 3.12Å; D184-R190 HydrophobicContact CB-CG 4.14Å; D184-R190 IonicContact OD2-CZ 3.44Å; D184-R190 IonicContact OD2-NE 3.03Å; D184-R190 PolarHBondContact OD2-NE 3Å; D184-R190 IonicContact OD2-NH2 3.33Å; D184-R190 PolarHBondContact OD2-NH2 2.91Å; K188-R190 PolarHBondContact O-N 2.98Å; R190-E194 WeakPolarHBondContact CA-OE2 3.43Å; R190-E194 VanDerWaalsContact CD-OE1 3.31Å; R190-E194 WeakPolarHBondContact CD-OE1 3.35Å; R190-E194 IonicContact CZ-OE1 2.68Å; R190-E194 IonicContact NE-OE1 3.94Å; R190-E194 IonicContact NH1-OE1 3.96Å; R190-E194 PolarHBondContact NH1-OE1 2.94Å; R190-W196 HydrophobicContact CB-CH2 4.44Å; R190-W196 HydrophobicContact CB-CZ3 4.14Å; R190-W196 HydrophobicContact CG-CD2 4.5Å; R190-W196 HydrophobicContact CG-CE3 4.15Å; R190-W196 HydrophobicContact CG-CH2 4.04Å; R190-W196 HydrophobicContact CG-CZ2 4.38Å; R190-W196 HydrophobicContact CG-CZ3 3.91Å
191V92.2Very high89.8Confident81 Ų8170.6 Ų70.649%0.49138%0.375SS..  trans-92.6152.3177.3-174.90000110.3A178 G193 E194A178-V191 WeakPolarHBondContact CB-O 3.22Å; V191-G193 PolarHBondContact O-N 2.8Å; V191-E194 PolarHBondContact N-OE2 2.87Å; V191-E194 WeakPolarHBondContact O-CB 3.48Å; V191-E194 PolarHBondContact O-N 2.88Å
192T90.6Very high89.9Confident82 Ų8265.8 Ų65.850%0.50336%0.361SS..THydrogen-bonded Turntrans-50.5124.9176.7-53.90000112.2R179 E181 E194R179-T192 WeakPolarHBondContact O-CG2 3.45Å; E181-T192 PolarHBondContact N-OG1 3.29Å; T192-E194 VanDerWaalsContact C-N 3.3Å
193G89.7Confident90.1Very high44 Ų4467.3 Ų67.345%0.45437%0.374SS..THydrogen-bonded Turntrans82-2.3-178.200000114.9A178 V191A178-G193 PolarHBondContact O-N 2.96Å; V191-G193 PolarHBondContact O-N 2.8Å
194E91.4Very high90.3Very high53 Ų5359.8 Ų59.825%0.24835%0.346CS..  trans-64.7136.2171.6-171.9-179.3155.900110.1R177 A178 R190 V191 T192 W196R177-E194 CarbonylContact C-O 3.58Å; R177-E194 VanDerWaalsContact CA-O 3.3Å; R177-E194 WeakPolarHBondContact CA-O 3.41Å; A178-E194 PolarHBondContact N-O 2.95Å; R190-E194 WeakPolarHBondContact CA-OE2 3.43Å; R190-E194 VanDerWaalsContact CD-OE1 3.31Å; R190-E194 WeakPolarHBondContact CD-OE1 3.35Å; R190-E194 IonicContact CZ-OE1 2.68Å; R190-E194 IonicContact NE-OE1 3.94Å; R190-E194 IonicContact NH1-OE1 3.96Å; R190-E194 PolarHBondContact NH1-OE1 2.94Å; V191-E194 PolarHBondContact N-OE2 2.87Å; V191-E194 WeakPolarHBondContact O-CB 3.48Å; V191-E194 PolarHBondContact O-N 2.88Å; T192-E194 VanDerWaalsContact C-N 3.3Å; E194-W196 WeakPolarHBondContact O-CZ3 3.4Å
195E93.2Very high90.5Very high50 Ų5060.2 Ų60.223%0.23435%0.348CS..EExtended strand (participates in β ladder)trans-113.5140.9177.3-70.5175.1-166.400110R175 L176 R177 L213 V263R175-E195 IonicContact CZ-OE2 3.52Å; R175-E195 IonicContact NE-OE2 2.71Å; R175-E195 PolarHBondContact NE-OE2 2.8Å; R175-E195 IonicContact NH2-OE2 3.59Å; R175-E195 PolarHBondContact NH2-OE2 3.22Å; L176-E195 CarbonylContact O-C 3.55Å; L176-E195 WeakPolarHBondContact O-CA 3.16Å; R177-E195 HydrophobicContact CB-CG 3.95Å; R177-E195 HydrophobicContact CG-CG 3.93Å; E195-L213 HydrophobicContact CG-CD1 3.87Å; E195-V263 HydrophobicContact CB-CG1 3.61Å; E195-V263 HydrophobicContact CB-CG2 4.39Å
196W92.2Very high90.8Very high8 Ų855.2 Ų55.23%0.0333%0.33CS..EExtended strand (participates in β ladder)trans-148.3168176.369.599000111.4R175 L176 A178 D184 R190 E194 E210R175-W196 WeakPolarHBondContact CA-O 3.38Å; L176-W196 HydrophobicContact CB-CD2 4.07Å; L176-W196 HydrophobicContact CB-CE3 4.43Å; L176-W196 HydrophobicContact CB-CH2 4.05Å; L176-W196 HydrophobicContact CB-CZ2 3.65Å; L176-W196 HydrophobicContact CB-CZ3 4.42Å; L176-W196 HydrophobicContact CD1-CZ2 3.82Å; L176-W196 HydrophobicContact CG-CZ2 4.4Å; L176-W196 PolarHBondContact N-O 3.43Å; L176-W196 PolarHBondContact O-N 3.24Å; A178-W196 HydrophobicContact CB-CH2 4.12Å; A178-W196 HydrophobicContact CB-CZ3 3.73Å; A178-W196 VanDerWaalsContact N-CZ3 3.33Å; D184-W196 HydrophobicContact CB-CZ2 4.17Å; R190-W196 HydrophobicContact CB-CH2 4.44Å; R190-W196 HydrophobicContact CB-CZ3 4.14Å; R190-W196 HydrophobicContact CG-CD2 4.5Å; R190-W196 HydrophobicContact CG-CE3 4.15Å; R190-W196 HydrophobicContact CG-CH2 4.04Å; R190-W196 HydrophobicContact CG-CZ2 4.38Å; R190-W196 HydrophobicContact CG-CZ3 3.91Å; E194-W196 WeakPolarHBondContact O-CZ3 3.4Å; W196-E210 HydrophobicContact CH2-CG 4.07Å; W196-E210 HydrophobicContact CZ2-CG 3.93Å
197L92.6Very high91.1Very high29 Ų2950.9 Ų50.915%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-107.4143.9175.4-69.1171000111.4A173 L174 R175 V216 V260 P261 V263A173-L197 HydrophobicContact CB-CB 4.18Å; A173-L197 HydrophobicContact CB-CD1 4.46Å; A173-L197 HydrophobicContact CB-CD2 3.98Å; A173-L197 HydrophobicContact CB-CG 4.44Å; L174-L197 CarbonylContact O-C 3.57Å; L174-L197 WeakPolarHBondContact O-CA 3.25Å; R175-L197 HydrophobicContact CB-CD2 3.76Å; R175-L197 HydrophobicContact CG-CD2 4.12Å; L197-V216 HydrophobicContact CD2-CB 4.28Å; L197-V216 HydrophobicContact CD2-CG2 3.83Å; L197-V260 HydrophobicContact CD1-CG1 4.14Å; L197-P261 VanDerWaalsContact CD1-O 3.29Å; L197-P261 WeakPolarHBondContact CD1-O 3.07Å; L197-V263 HydrophobicContact CG-CG2 3.95Å
198V92Very high91.3Very high3 Ų349.2 Ų49.22%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-110.6120166.6-179.60000108.6I168 A173 L174 L176 Y204I168-V198 HydrophobicContact CD1-CB 4.24Å; I168-V198 HydrophobicContact CD1-CG1 3.99Å; A173-V198 CarbonylContact C-O 3.53Å; A173-V198 VanDerWaalsContact CA-O 3.24Å; A173-V198 WeakPolarHBondContact CA-O 3.27Å; A173-V198 WeakPolarHBondContact CB-O 3.4Å; L174-V198 HydrophobicContact CB-CB 4.42Å; L174-V198 PolarHBondContact N-O 3.19Å; L174-V198 PolarHBondContact O-N 2.91Å; L176-V198 HydrophobicContact CD1-CG2 3.65Å; L176-V198 HydrophobicContact CG-CG2 4.41Å; V198-Y204 HydrophobicContact CB-CD2 4.46Å; V198-Y204 HydrophobicContact CB-CE2 4.3Å; V198-Y204 HydrophobicContact CG1-CD2 3.64Å; V198-Y204 HydrophobicContact CG1-CE2 3.64Å; V198-Y204 HydrophobicContact CG1-CG 4.39Å; V198-Y204 HydrophobicContact CG2-CE1 4.48Å; V198-Y204 HydrophobicContact CG2-CE2 3.93Å
199T88.9Confident91.4Very high92 Ų9246.7 Ų46.756%0.56428%0.281SS*.  trans-103.7-4.2-177.153.60000113.5A173 V201A173-T199 HydrophobicContact CB-CG2 3.96Å; T199-V201 PolarHBondContact O-N 3.5Å; T199-V201 VanDerWaalsContact O-N 3.13Å
200T89.8Confident91.4Very high91 Ų9141.2 Ų41.256%0.55826%0.255SS*.  trans-64.6113.5179.7-530000110.5G202T200-G202 PolarHBondContact O-N 2.84Å
201V91.9Very high91.3Very high77 Ų7742.7 Ų42.747%0.46726%0.263SS..  trans-65.2127.5178.51800000109.9T199T199-V201 PolarHBondContact O-N 3.5Å; T199-V201 VanDerWaalsContact O-N 3.13Å
202G91.9Very high91.3Very high31 Ų3141.4 Ų41.432%0.3226%0.255SS..EExtended strand (participates in β ladder)trans145.5-172.4-177.600000113.3I168 T200 Y204I168-G202 PolarHBondContact N-O 3.45Å; I168-G202 PolarHBondContact O-N 3.47Å; T200-G202 PolarHBondContact O-N 2.84Å; G202-Y204 PolarHBondContact O-N 3.03Å
203A90.9Very high91.4Very high47 Ų4740.3 Ų40.339%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-81.1110.717200000109N118 A165N118-A203 HydrophobicContact CB-CB 4.29Å; A165-A203 HydrophobicContact CB-CB 3.9Å
204Y92.5Very high91.5Very high19 Ų1941.8 Ų41.88%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-95.6118.3175.5-169.8-90.8000110A165 T166 I168 L174 L176 R185 V198 G202 P206 E210A165-Y204 CarbonylContact C-O 3.59Å; A165-Y204 VanDerWaalsContact CA-O 3.23Å; A165-Y204 WeakPolarHBondContact CA-O 3.45Å; A165-Y204 WeakPolarHBondContact CB-O 3.4Å; T166-Y204 PolarHBondContact N-O 3.41Å; T166-Y204 PolarHBondContact O-N 3.22Å; I168-Y204 HydrophobicContact CD1-CG 4.32Å; L174-Y204 HydrophobicContact CD2-CD1 3.63Å; L174-Y204 HydrophobicContact CD2-CE1 4.38Å; L174-Y204 HydrophobicContact CD2-CG 4.15Å; L176-Y204 HydrophobicContact CD1-CD1 4.42Å; L176-Y204 HydrophobicContact CD1-CE1 3.52Å; R185-Y204 HydrophobicContact CB-CE2 4.46Å; R185-Y204 HydrophobicContact CG-CE2 4.41Å; V198-Y204 HydrophobicContact CB-CD2 4.46Å; V198-Y204 HydrophobicContact CB-CE2 4.3Å; V198-Y204 HydrophobicContact CG1-CD2 3.64Å; V198-Y204 HydrophobicContact CG1-CE2 3.64Å; V198-Y204 HydrophobicContact CG1-CG 4.39Å; V198-Y204 HydrophobicContact CG2-CE1 4.48Å; V198-Y204 HydrophobicContact CG2-CE2 3.93Å; G202-Y204 PolarHBondContact O-N 3.03Å; Y204-P206 WeakPolarHBondContact O-CD 3.49Å; Y204-E210 WeakPolarHBondContact CE1-OE2 3.39Å; Y204-E210 PolarHBondContact OH-OE1 2.93Å; Y204-E210 PolarHBondContact OH-OE2 3.36Å
205L91.8Very high91.6Very high17 Ų1742.8 Ų42.89%0.08925%0.25CS..  trans-95.5109.2177.3-177.269.8000109.4A120 E146 I163 A165 R185A120-L205 HydrophobicContact CB-CD1 4.18Å; A120-L205 HydrophobicContact CB-CD2 3.75Å; A120-L205 HydrophobicContact CB-CG 4.39Å; E146-L205 HydrophobicContact CB-CD2 4.37Å; E146-L205 HydrophobicContact CG-CD2 3.92Å; I163-L205 HydrophobicContact CG2-CD1 4.02Å; A165-L205 HydrophobicContact CB-CB 4.16Å; A165-L205 HydrophobicContact CB-CD1 4.23Å; R185-L205 PolarHBondContact NE-O 3.25Å; R185-L205 VanDerWaalsContact NE-O 3.11Å; R185-L205 PolarHBondContact NH2-O 3.28Å
206P92Very high91.5Very high8 Ų841.7 Ų41.75%0.05225%0.247CC..  trans-61.1137.1-178.7-20.232.5000111.5L144 I163 Y204 E210 V212L144-P206 VanDerWaalsContact CD1-O 3.24Å; L144-P206 WeakPolarHBondContact CD1-O 3.5Å; I163-P206 HydrophobicContact CG2-CG 4.45Å; Y204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-E210 WeakPolarHBondContact CA-OE2 3.41Å; P206-E210 HydrophobicContact CB-CB 4.35Å; P206-V212 HydrophobicContact CB-CG2 3.97Å; P206-V212 HydrophobicContact CG-CG2 3.34Å
207A90.6Very high91.5Very high30 Ų3046.1 Ų46.125%0.24827%0.271CS..  trans-72.3168.6171.500000111.6F209 E210A207-F209 VanDerWaalsContact C-N 3.28Å; A207-F209 PolarHBondContact O-N 3.48Å; A207-E210 HydrophobicContact CB-CB 4.46Å; A207-E210 HydrophobicContact CB-CG 3.9Å; A207-E210 PolarHBondContact N-OE2 3.32Å; A207-E210 PolarHBondContact O-N 3.02Å
208V89.5Confident91.4Very high14 Ų1445.6 Ų45.69%0.08527%0.271CS..THydrogen-bonded Turntrans-53-43.8-177.2179.10000113.4E142 L144 E210E142-V208 HydrophobicContact CB-CG1 3.55Å; L144-V208 HydrophobicContact CD2-CG2 3.73Å; L144-V208 HydrophobicContact CG-CG2 3.71Å; V208-E210 VanDerWaalsContact C-N 3.34Å
209F91Very high91.3Very high62 Ų6247.6 Ų47.627%0.27228%0.283SS..THydrogen-bonded Turntrans-94.77.5-175.4-52.7-53.5000112.7R179 K180 C182 A207R179-F209 PolarHBondContact N-O 2.99Å; K180-F209 HydrophobicContact CB-CB 4.36Å; K180-F209 HydrophobicContact CB-CD1 4.08Å; K180-F209 HydrophobicContact CB-CG 4.23Å; K180-F209 HydrophobicContact CD-CD1 4.48Å; K180-F209 HydrophobicContact CD-CE1 4.34Å; C182-F209 HydrophobicContact CB-CB 3.78Å; C182-F209 HydrophobicContact CB-CD2 3.92Å; C182-F209 HydrophobicContact CB-CG 4.29Å; A207-F209 VanDerWaalsContact C-N 3.28Å; A207-F209 PolarHBondContact O-N 3.48Å
210E92.1Very high91.4Very high8 Ų849.2 Ų49.24%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-98125.3176-64.7174.9173.800109.7W196 Y204 P206 A207 V208W196-E210 HydrophobicContact CH2-CG 4.07Å; W196-E210 HydrophobicContact CZ2-CG 3.93Å; Y204-E210 WeakPolarHBondContact CE1-OE2 3.39Å; Y204-E210 PolarHBondContact OH-OE1 2.93Å; Y204-E210 PolarHBondContact OH-OE2 3.36Å; P206-E210 WeakPolarHBondContact CA-OE2 3.41Å; P206-E210 HydrophobicContact CB-CB 4.35Å; A207-E210 HydrophobicContact CB-CB 4.46Å; A207-E210 HydrophobicContact CB-CG 3.9Å; A207-E210 PolarHBondContact N-OE2 3.32Å; A207-E210 PolarHBondContact O-N 3.02Å; V208-E210 VanDerWaalsContact C-N 3.34Å
211E91.5Very high91.4Very high50 Ų5045.2 Ų45.223%0.23426%0.262CS..EExtended strand (participates in β ladder)trans-103.2121.7172.9-175.7-177.7-176.300109.6L176 R177 R179 L213L176-E211 CarbonylContact C-O 3.55Å; L176-E211 VanDerWaalsContact CA-O 3.3Å; L176-E211 WeakPolarHBondContact CA-O 3.27Å; R177-E211 HydrophobicContact CB-CB 4.34Å; R177-E211 IonicContact CZ-OE1 2.8Å; R177-E211 IonicContact CZ-OE2 3.93Å; R177-E211 PolarHBondContact N-O 2.99Å; R177-E211 IonicContact NE-OE2 3.31Å; R177-E211 PolarHBondContact NE-OE2 3.44Å; R177-E211 IonicContact NH2-OE1 3.18Å; R177-E211 PolarHBondContact NH2-OE1 3.32Å; R177-E211 IonicContact NH2-OE2 2.92Å; R177-E211 PolarHBondContact NH2-OE2 2.86Å; R177-E211 WeakPolarHBondContact O-CB 3.31Å; R177-E211 PolarHBondContact O-N 2.89Å; R179-E211 HydrophobicContact CG-CB 3.91Å; E211-L213 HydrophobicContact CG-CD2 4.46Å; E211-L213 PolarHBondContact O-N 2.85Å
212V92.4Very high91.2Very high55 Ų5544.7 Ų44.733%0.33326%0.259SS..EExtended strand (participates in β ladder)trans-74.1117.6172.5179.50000109.4L174 L176 P206L174-V212 HydrophobicContact CD1-CG1 3.61Å; L174-V212 HydrophobicContact CD2-CG2 4.32Å; L174-V212 HydrophobicContact CG-CG1 4.31Å; L176-V212 HydrophobicContact CD2-CB 4.34Å; L176-V212 HydrophobicContact CD2-CG2 3.76Å; P206-V212 HydrophobicContact CB-CG2 3.97Å; P206-V212 HydrophobicContact CG-CG2 3.34Å
213L92.1Very high91Very high59 Ų5950.6 Ų50.631%0.30928%0.278SS..EExtended strand (participates in β ladder)trans-88.3-68.2176.1-65.2-178.5000110.9R175 R177 E195 E211R175-L213 HydrophobicContact CB-CB 4.33Å; R175-L213 HydrophobicContact CG-CB 4.37Å; R175-L213 HydrophobicContact CG-CD1 4.12Å; R175-L213 PolarHBondContact O-N 2.91Å; R177-L213 HydrophobicContact CB-CD1 3.92Å; R177-L213 HydrophobicContact CB-CD2 4.22Å; R177-L213 HydrophobicContact CB-CG 4.02Å; E195-L213 HydrophobicContact CG-CD1 3.87Å; E211-L213 HydrophobicContact CG-CD2 4.46Å; E211-L213 PolarHBondContact O-N 2.85Å
214D91.9Very high91Very high75 Ų7555.4 Ų55.440%0.40129%0.291SS..EExtended strand (participates in β ladder)trans-154.5165.5-177.1567.1000112.6R175R175-D214 WeakPolarHBondContact CB-OD1 3.48Å; R175-D214 WeakPolarHBondContact CD-OD1 3.24Å; R175-D214 PolarHBondContact N-O 3.26Å
215L92.7Very high90.9Very high74 Ų7456.3 Ų56.339%0.38730%0.298SS..EExtended strand (participates in β ladder)trans-93.2121.9167.1-79.9164.8000108.1T166 I168 A173 L174T166-L215 HydrophobicContact CG2-CD1 4.13Å; T166-L215 HydrophobicContact CG2-CD2 4.2Å; T166-L215 HydrophobicContact CG2-CG 4.27Å; I168-L215 HydrophobicContact CG1-CD2 4.49Å; A173-L215 CarbonylContact O-C 3.59Å; A173-L215 WeakPolarHBondContact O-CA 3.19Å; L174-L215 HydrophobicContact CB-CD2 4.46Å; L174-L215 HydrophobicContact CD1-CD2 3.8Å; L174-L215 HydrophobicContact CD1-CG 4.1Å
216V92.1Very high90.9Very high27 Ų2755.5 Ų55.516%0.16429%0.294CS..EExtended strand (participates in β ladder)trans-96.9115.7178.7-176.10000108.8Q172 A173 R175 L197 V260Q172-V216 CarbonylContact C-O 3.52Å; Q172-V216 WeakPolarHBondContact CA-O 3.27Å; A173-V216 PolarHBondContact N-O 3.39Å; A173-V216 PolarHBondContact O-N 3.36Å; R175-V216 HydrophobicContact CB-CG2 4.22Å; L197-V216 HydrophobicContact CD2-CB 4.28Å; L197-V216 HydrophobicContact CD2-CG2 3.83Å; V216-V260 HydrophobicContact CB-CG1 4.28Å; V216-V260 HydrophobicContact CG1-CG1 3.88Å
217D91.5Very high91Very high101 Ų10155.1 Ų55.154%0.5429%0.291SS..EExtended strand (participates in β ladder)trans-78142174.1-67.8-40.5000110.9Q172Q172-D217 WeakPolarHBondContact CG-OD1 3.36Å; Q172-D217 PolarHBondContact NE2-OD1 2.67Å
218A90.2Very high91.1Very high17 Ų1755.3 Ų55.314%0.1429%0.287CS..PPolyproline II helixtrans-69.6143.4172.100000111.2N171 I220 A258 H259 V260N171-A218 HydrophobicContact CB-CB 3.81Å; N171-A218 VanDerWaalsContact O-CB 3.24Å; N171-A218 WeakPolarHBondContact O-CB 3.15Å; N171-A218 PolarHBondContact O-N 2.85Å; A218-I220 PolarHBondContact O-N 2.97Å; A218-A258 HydrophobicContact CB-CB 3.96Å; A218-H259 CarbonylContact C-O 3.56Å; A218-H259 WeakPolarHBondContact CA-O 3.33Å; A218-V260 HydrophobicContact CB-CG2 3.56Å
219V90.2Very high91.3Very high46 Ų4654.7 Ų54.728%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-81.4118165.7-174.10000108.2L221 L227 H259 P261V219-L221 PolarHBondContact O-N 2.92Å; V219-L227 HydrophobicContact CB-CD1 4.41Å; V219-L227 HydrophobicContact CB-CD2 4.24Å; V219-L227 HydrophobicContact CG1-CD1 4.12Å; V219-L227 HydrophobicContact CG2-CD1 4.23Å; V219-L227 HydrophobicContact CG2-CD2 4.24Å; V219-H259 PolarHBondContact N-O 3.1Å; V219-H259 PolarHBondContact O-N 2.86Å; V219-P261 HydrophobicContact CG2-CG 4.42Å
220I90.1Very high91.4Very high125 Ų12555.7 Ų55.764%0.64129%0.285SS*.EExtended strand (participates in β ladder)trans-76122.1176.1-57.2172.4000108.5A218A218-I220 PolarHBondContact O-N 2.97Å
221L89.7Confident91.4Very high7 Ų755.4 Ų55.44%0.03728%0.284CS..PPolyproline II helixtrans-100135-179.9-67.7177.4000110.5V219 L227 V251 T256 E257 H259V219-L221 PolarHBondContact O-N 2.92Å; L221-L227 HydrophobicContact CD2-CB 3.97Å; L221-V251 HydrophobicContact CD1-CB 4.16Å; L221-V251 HydrophobicContact CD1-CG1 3.63Å; L221-V251 WeakPolarHBondContact CD1-O 3.49Å; L221-T256 HydrophobicContact CD1-CG2 4.41Å; L221-E257 PolarHBondContact N-O 2.93Å; L221-H259 HydrophobicContact CD1-CB 4.23Å
222T88.7Confident91.4Very high67 Ų6759.2 Ų59.241%0.41130%0.296SS..  trans-111.8167.6173.468.90000110.2K224 T225T222-K224 PolarHBondContact O-N 2.73Å; T222-K224 PolarHBondContact OG1-N 3.07Å; T222-T225 PolarHBondContact N-OG1 2.85Å; T222-T225 PolarHBondContact O-N 3.48Å; T222-T225 VanDerWaalsContact O-N 3.1Å; T222-T225 PolarHBondContact OG1-N 3.21Å; T222-T225 PolarHBondContact OG1-OG1 3.47Å
223E87.8Confident91.2Very high154 Ų15464.9 Ų64.972%0.7231%0.312SS*.THydrogen-bonded Turntrans-55.6-17.9171.2-64.9178.7174.700113.5V253 I273 F309E223-V253 HydrophobicContact CB-CG1 4.43Å; E223-V253 HydrophobicContact CG-CG1 3.96Å; E223-I273 WeakPolarHBondContact O-CD1 3.47Å; E223-F309 WeakPolarHBondContact O-CZ 3.39Å
224K90.5Very high91.2Very high149 Ų14967.7 Ų67.765%0.64833%0.327SS*.THydrogen-bonded Turntrans-102.2-6.4-177.7-62.1-174.4178.5-178.20114.4T222 P272 I273T222-K224 PolarHBondContact O-N 2.73Å; T222-K224 PolarHBondContact OG1-N 3.07Å; K224-P272 CarbonylContact O-C 3.6Å; K224-P272 WeakPolarHBondContact O-CA 3.36Å; K224-I273 HydrophobicContact CB-CG2 3.93Å; K224-I273 HydrophobicContact CG-CG2 4.09Å; K224-I273 PolarHBondContact O-N 2.78Å
225T91.2Very high91.1Very high37 Ų3765.3 Ų65.323%0.22731%0.313CS..EExtended strand (participates in β ladder)trans-133.8126.3-172.356.40000109.8T222 V270T222-T225 PolarHBondContact N-OG1 2.85Å; T222-T225 PolarHBondContact O-N 3.48Å; T222-T225 VanDerWaalsContact O-N 3.1Å; T222-T225 PolarHBondContact OG1-N 3.21Å; T222-T225 PolarHBondContact OG1-OG1 3.47Å; T225-V270 HydrophobicContact CG2-CG1 4.12Å
226A91.5Very high90.9Very high0 Ų070.3 Ų70.30%033%0.327CS..EExtended strand (participates in β ladder)trans-110.2149.5169.500000110.3L250 V251 T252 V270 V271 F309A226-L250 HydrophobicContact CB-CB 4.35Å; A226-L250 HydrophobicContact CB-CD1 4.3Å; A226-V251 CarbonylContact C-O 3.55Å; A226-V251 WeakPolarHBondContact CA-O 2.98Å; A226-T252 HydrophobicContact CB-CG2 4.05Å; A226-V270 CarbonylContact O-C 3.47Å; A226-V270 WeakPolarHBondContact O-CA 3.46Å; A226-V271 HydrophobicContact CB-CB 4.48Å; A226-V271 PolarHBondContact N-O 2.91Å; A226-V271 PolarHBondContact O-N 3.15Å; A226-F309 HydrophobicContact CB-CD1 3.6Å; A226-F309 HydrophobicContact CB-CD2 4.23Å; A226-F309 HydrophobicContact CB-CE1 3.73Å; A226-F309 HydrophobicContact CB-CE2 4.35Å; A226-F309 HydrophobicContact CB-CG 3.86Å; A226-F309 HydrophobicContact CB-CZ 4.11Å
227L93.1Very high90.7Very high1 Ų169.4 Ų69.41%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-94.5126.9173.9-169.966000109.8V219 L221 L229 L250 V251 H259 V267 V270V219-L227 HydrophobicContact CB-CD1 4.41Å; V219-L227 HydrophobicContact CB-CD2 4.24Å; V219-L227 HydrophobicContact CG1-CD1 4.12Å; V219-L227 HydrophobicContact CG2-CD1 4.23Å; V219-L227 HydrophobicContact CG2-CD2 4.24Å; L221-L227 HydrophobicContact CD2-CB 3.97Å; L227-L229 HydrophobicContact CD2-CD1 4.4Å; L227-L229 HydrophobicContact CD2-CD2 3.72Å; L227-L229 HydrophobicContact CD2-CG 4.18Å; L227-L229 HydrophobicContact CG-CD2 3.85Å; L227-L229 HydrophobicContact CG-CG 4.17Å; L227-L250 CarbonylContact O-C 3.59Å; L227-L250 VanDerWaalsContact O-CA 3.31Å; L227-L250 WeakPolarHBondContact O-CA 3.48Å; L227-V251 HydrophobicContact CB-CB 4.34Å; L227-V251 PolarHBondContact N-O 3.01Å; L227-V251 PolarHBondContact O-N 3.09Å; L227-H259 HydrophobicContact CD2-CB 4.29Å; L227-V267 HydrophobicContact CD1-CG1 3.64Å; L227-V267 HydrophobicContact CG-CG1 4.41Å; L227-V270 HydrophobicContact CD1-CG2 4.33Å
228H93.8Very high90.3Very high34 Ų3469 Ų6916%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-93.8117.3175.8-175.7-167.8000110.1E248 L250 L268 G269 V271H228-E248 IonicContact CE1-OE2 3.46Å; H228-E248 PolarHBondContact CE1-OE2 2.93Å; H228-E248 VanDerWaalsContact CE1-OE2 3.31Å; H228-E248 IonicContact NE2-OE2 2.72Å; H228-E248 PolarHBondContact NE2-OE2 3.48Å; H228-L250 HydrophobicContact CB-CD2 3.72Å; H228-L268 HydrophobicContact CB-CB 4.42Å; H228-L268 PolarHBondContact O-N 2.96Å; H228-G269 PolarHBondContact N-O 2.62Å; H228-V271 HydrophobicContact CB-CG2 3.95Å
229L92.9Very high90Very high0 Ų073 Ų730%033%0.326CS..EExtended strand (participates in β ladder)trans-116.9150.6-176.4-63.1-179.6000111.2L227 E248 W249 V251 E265 E266 V267L227-L229 HydrophobicContact CD2-CD1 4.4Å; L227-L229 HydrophobicContact CD2-CD2 3.72Å; L227-L229 HydrophobicContact CD2-CG 4.18Å; L227-L229 HydrophobicContact CG-CD2 3.85Å; L227-L229 HydrophobicContact CG-CG 4.17Å; L229-E248 CarbonylContact O-C 3.57Å; L229-E248 VanDerWaalsContact O-CA 3.22Å; L229-E248 WeakPolarHBondContact O-CA 3.42Å; L229-W249 HydrophobicContact CB-CD2 4.23Å; L229-W249 HydrophobicContact CB-CH2 4.18Å; L229-W249 HydrophobicContact CB-CZ2 3.75Å; L229-W249 HydrophobicContact CD1-CZ2 3.93Å; L229-W249 PolarHBondContact N-O 3.06Å; L229-W249 PolarHBondContact O-N 3.37Å; L229-V251 HydrophobicContact CD1-CG2 3.51Å; L229-V251 HydrophobicContact CG-CG2 4.3Å; L229-E265 HydrophobicContact CD1-CG 4.47Å; L229-E266 CarbonylContact C-O 3.53Å; L229-E266 WeakPolarHBondContact CA-O 3.38Å; L229-V267 HydrophobicContact CD2-CB 4.35Å; L229-V267 HydrophobicContact CD2-CG2 3.77Å
230R93.1Very high89.8Confident83 Ų8372 Ų7231%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-127.9136.1171-176.9171.969.7-175.71110.9R232 E247 E248 E265 E266 L268R230-R232 PolarHBondContact O-N 3.42Å; R230-E247 CarbonylContact C-O 3.6Å; R230-E247 WeakPolarHBondContact CA-O 3.45Å; R230-E248 HydrophobicContact CB-CG 3.99Å; R230-E248 HydrophobicContact CG-CG 3.91Å; R230-E265 CarbonylContact O-C 3.54Å; R230-E266 HydrophobicContact CB-CB 4.34Å; R230-E266 IonicContact CZ-OE1 3.91Å; R230-E266 IonicContact CZ-OE2 3.1Å; R230-E266 PolarHBondContact N-O 2.8Å; R230-E266 IonicContact NE-OE2 3.98Å; R230-E266 PolarHBondContact NE-OE2 2.8Å; R230-E266 IonicContact NH2-OE1 3.65Å; R230-E266 PolarHBondContact NH2-OE1 3.43Å; R230-E266 IonicContact NH2-OE2 3.91Å; R230-E266 PolarHBondContact NH2-OE2 2.88Å; R230-E266 PolarHBondContact O-N 3.03Å; R230-L268 HydrophobicContact CB-CD1 3.9Å; R230-L268 HydrophobicContact CB-CD2 4.45Å; R230-L268 HydrophobicContact CB-CG 4.08Å
231A92Very high89.6Confident2 Ų268.9 Ų68.92%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-77.3121.6176.400000111.3F235 R243 R244 G246 E247 W249A231-F235 HydrophobicContact CB-CD1 4.33Å; A231-F235 HydrophobicContact CB-CE1 3.84Å; A231-R243 HydrophobicContact CB-CB 4Å; A231-R244 WeakPolarHBondContact CB-O 3.28Å; A231-G246 PolarHBondContact O-N 2.81Å; A231-E247 PolarHBondContact N-O 3.2Å; A231-W249 HydrophobicContact CB-CH2 4.06Å; A231-W249 HydrophobicContact CB-CZ3 3.71Å
232R91.3Very high89.6Confident130 Ų13072.9 Ų72.949%0.49134%0.341SS..SBendtrans-77.1-26174.3-69.4-178.3163-174.3-1113.3R230 T245 H264 E266R230-R232 PolarHBondContact O-N 3.42Å; R232-T245 WeakPolarHBondContact O-CG2 3.38Å; R232-H264 PolarHBondContact N-O 2.69Å; R232-E266 HydrophobicContact CG-CB 3.99Å
233R89Confident89.7Confident174 Ų17471 Ų7166%0.65733%0.326SS*.SBendtrans-145.7170.9-178.8-64.1-173.8-179.1174.51.7109.4F235 T245R233-F235 WeakPolarHBondContact O-CD1 3.46Å; R233-F235 PolarHBondContact O-N 2.97Å; R233-T245 WeakPolarHBondContact CA-OG1 3.48Å
234N90.9Very high89.9Confident118 Ų11872.8 Ų72.863%0.63133%0.326SS*.SBendtrans-74.2119.8171.8-58.4-13.8000109R243 R244 T245N234-R243 VanDerWaalsContact CA-O 3.31Å; N234-R243 WeakPolarHBondContact CA-O 3.25Å; N234-R244 WeakPolarHBondContact OD1-CA 3.45Å; N234-T245 PolarHBondContact N-OG1 3.35Å; N234-T245 PolarHBondContact OD1-N 3.11Å; N234-T245 PolarHBondContact OD1-OG1 2.92Å
235F90.6Very high89.9Confident26 Ų2669.9 Ų69.911%0.11432%0.321CS..EExtended strand (participates in β ladder)trans-152.2175.4178.280.4-70.2000110.3A231 R233 D237 S242 R243 W249 H264 E265A231-F235 HydrophobicContact CB-CD1 4.33Å; A231-F235 HydrophobicContact CB-CE1 3.84Å; R233-F235 WeakPolarHBondContact O-CD1 3.46Å; R233-F235 PolarHBondContact O-N 2.97Å; F235-D237 HydrophobicContact CE2-CB 4.36Å; F235-S242 CarbonylContact O-C 3.58Å; F235-R243 HydrophobicContact CD1-CB 4.27Å; F235-R243 HydrophobicContact CE1-CB 4.02Å; F235-R243 HydrophobicContact CE1-CG 4.36Å; F235-R243 PolarHBondContact N-O 2.78Å; F235-R243 VanDerWaalsContact N-O 3.14Å; F235-R243 PolarHBondContact O-N 2.86Å; F235-W249 AromaticContact CE1-CH2 3.95Å; F235-W249 HydrophobicContact CE1-CH2 3.95Å; F235-W249 AromaticContact CZ-CH2 3.87Å; F235-W249 HydrophobicContact CZ-CH2 3.87Å; F235-W249 HydrophobicContact CZ-CZ2 4.19Å; F235-H264 HydrophobicContact CB-CB 4.14Å; F235-H264 HydrophobicContact CD1-CB 3.64Å; F235-H264 HydrophobicContact CD2-CB 3.92Å; F235-H264 HydrophobicContact CE1-CB 3.98Å; F235-H264 HydrophobicContact CE2-CB 4.24Å; F235-H264 HydrophobicContact CG-CB 3.63Å; F235-H264 HydrophobicContact CZ-CB 4.29Å; F235-E265 HydrophobicContact CE1-CG 4.25Å; F235-E265 HydrophobicContact CE2-CG 4.1Å; F235-E265 HydrophobicContact CZ-CG 3.45Å; F235-E265 VanDerWaalsContact CZ-CG 3.45Å
236R89.5Confident89.7Confident179 Ų17970.2 Ų70.268%0.67533%0.332SS*.EExtended strand (participates in β ladder)trans-106122.2176-167.2176.6-171.5-162.8-6.5108.4G240 V241R236-G240 VanDerWaalsContact NE-CA 3.35Å; R236-G240 PolarHBondContact NE-O 2.95Å; R236-G240 PolarHBondContact NH2-O 3.49Å; R236-V241 WeakPolarHBondContact CA-O 3.47Å
237D86.5Confident89.6Confident7 Ų773.1 Ų73.14%0.03735%0.345CS..  trans-68.6170.8-179.874.210.5000111.9F235 R239 G240 V241 R243F235-D237 HydrophobicContact CE2-CB 4.36Å; D237-R239 PolarHBondContact O-N 2.82Å; D237-R239 VanDerWaalsContact O-N 3.14Å; D237-R239 WeakPolarHBondContact OD1-CA 3.46Å; D237-R239 WeakPolarHBondContact OD1-CB 3.42Å; D237-R239 PolarHBondContact OD1-N 3.03Å; D237-R239 IonicContact OD2-NE 2.73Å; D237-R239 IonicContact OD2-NH2 3.55Å; D237-G240 WeakPolarHBondContact O-CA 3.41Å; D237-G240 PolarHBondContact O-N 2.57Å; D237-G240 PolarHBondContact OD1-N 3.1Å; D237-V241 PolarHBondContact N-O 3.06Å; D237-V241 PolarHBondContact OD1-N 2.93Å; D237-V241 WeakPolarHBondContact OD2-CB 3.06Å; D237-R243 HydrophobicContact CB-CG 4.2Å; D237-R243 IonicContact OD2-CZ 3.56Å; D237-R243 IonicContact OD2-NE 3.4Å; D237-R243 PolarHBondContact OD2-NE 2.95Å; D237-R243 VanDerWaalsContact OD2-NE 3.08Å; D237-R243 IonicContact OD2-NH2 3.43Å; D237-R243 PolarHBondContact OD2-NH2 2.55Å
238F84.2Confident89.5Confident94 Ų9476.7 Ų76.741%0.41236%0.362SS..THydrogen-bonded Turntrans-61.4-20.6179.372.4-86.7000113.7G240 V251 D255 T256 H259F238-G240 VanDerWaalsContact C-N 3.33Å; F238-V251 HydrophobicContact CE1-CG1 4.14Å; F238-V251 HydrophobicContact CE1-CG2 4.08Å; F238-V251 HydrophobicContact CZ-CG1 3.87Å; F238-D255 HydrophobicContact CE2-CB 4.26Å; F238-D255 HydrophobicContact CZ-CB 3.93Å; F238-T256 HydrophobicContact CE2-CG2 4.26Å; F238-T256 HydrophobicContact CZ-CG2 4.06Å; F238-H259 AromaticContact CD1-CE1 3.51Å; F238-H259 AromaticContact CD1-ND1 3.83Å; F238-H259 AromaticContact CE1-CE1 3.52Å; F238-H259 AromaticContact CE1-ND1 3.54Å
239R83.8Confident89.4Confident99 Ų9975.5 Ų75.537%0.37436%0.356SS..THydrogen-bonded Turntrans-85.3-7.8174.5-59.7-175.7-68-168.1-8.8112.6D237 V241 D255D237-R239 PolarHBondContact O-N 2.82Å; D237-R239 VanDerWaalsContact O-N 3.14Å; D237-R239 WeakPolarHBondContact OD1-CA 3.46Å; D237-R239 WeakPolarHBondContact OD1-CB 3.42Å; D237-R239 PolarHBondContact OD1-N 3.03Å; D237-R239 IonicContact OD2-NE 2.73Å; D237-R239 IonicContact OD2-NH2 3.55Å; R239-V241 HydrophobicContact CB-CG2 4.45Å; R239-D255 WeakPolarHBondContact CD-OD1 3.29Å; R239-D255 IonicContact CZ-OD1 2.93Å; R239-D255 IonicContact NE-OD1 2.66Å; R239-D255 VanDerWaalsContact NH1-CG 3.3Å; R239-D255 IonicContact NH1-OD1 2.75Å; R239-D255 PolarHBondContact NH1-OD1 2.94Å; R239-D255 IonicContact NH1-OD2 3.61Å; R239-D255 PolarHBondContact NH1-OD2 3.36Å
240G84.7Confident89.3Confident25 Ų2576 Ų7626%0.25836%0.359SS..SBendtrans88.212.3-178.700000114.9R236 D237 F238R236-G240 VanDerWaalsContact NE-CA 3.35Å; R236-G240 PolarHBondContact NE-O 2.95Å; R236-G240 PolarHBondContact NH2-O 3.49Å; D237-G240 WeakPolarHBondContact O-CA 3.41Å; D237-G240 PolarHBondContact O-N 2.57Å; D237-G240 PolarHBondContact OD1-N 3.1Å; F238-G240 VanDerWaalsContact C-N 3.33Å
241V86.5Confident89.3Confident61 Ų6172 Ų7237%0.3734%0.344SS..  trans-85.2130175.9-1750000109.9R236 D237 R239 R243R236-V241 WeakPolarHBondContact CA-O 3.47Å; D237-V241 PolarHBondContact N-O 3.06Å; D237-V241 PolarHBondContact OD1-N 2.93Å; D237-V241 WeakPolarHBondContact OD2-CB 3.06Å; R239-V241 HydrophobicContact CB-CG2 4.45Å; V241-R243 PolarHBondContact O-N 2.9Å
242S90.6Very high89.2Confident91 Ų9173.1 Ų73.164%0.63635%0.35SS*.EExtended strand (participates in β ladder)trans-78.2102.9177.5-60.50000110.9F235F235-S242 CarbonylContact O-C 3.58Å
243R91.1Very high89.2Confident28 Ų2869 Ų6911%0.10634%0.339CS..EExtended strand (participates in β ladder)trans-85.6137.8178.2-58-62.3174.7-176.5-2.1111A231 N234 F235 D237 V241 E247 W249A231-R243 HydrophobicContact CB-CB 4Å; N234-R243 VanDerWaalsContact CA-O 3.31Å; N234-R243 WeakPolarHBondContact CA-O 3.25Å; F235-R243 HydrophobicContact CD1-CB 4.27Å; F235-R243 HydrophobicContact CE1-CB 4.02Å; F235-R243 HydrophobicContact CE1-CG 4.36Å; F235-R243 PolarHBondContact N-O 2.78Å; F235-R243 VanDerWaalsContact N-O 3.14Å; F235-R243 PolarHBondContact O-N 2.86Å; D237-R243 HydrophobicContact CB-CG 4.2Å; D237-R243 IonicContact OD2-CZ 3.56Å; D237-R243 IonicContact OD2-NE 3.4Å; D237-R243 PolarHBondContact OD2-NE 2.95Å; D237-R243 VanDerWaalsContact OD2-NE 3.08Å; D237-R243 IonicContact OD2-NH2 3.43Å; D237-R243 PolarHBondContact OD2-NH2 2.55Å; V241-R243 PolarHBondContact O-N 2.9Å; R243-E247 WeakPolarHBondContact CA-OE2 3.2Å; R243-E247 VanDerWaalsContact CD-OE1 3.24Å; R243-E247 WeakPolarHBondContact CD-OE1 3.47Å; R243-E247 IonicContact CZ-OE1 3.28Å; R243-E247 IonicContact NE-OE1 2.78Å; R243-E247 IonicContact NH1-OE1 3.76Å; R243-E247 PolarHBondContact NH1-OE1 3.24Å; R243-W249 HydrophobicContact CB-CH2 4.47Å; R243-W249 HydrophobicContact CB-CZ3 4.2Å; R243-W249 HydrophobicContact CG-CE3 4.18Å; R243-W249 HydrophobicContact CG-CH2 3.98Å; R243-W249 HydrophobicContact CG-CZ2 4.38Å; R243-W249 HydrophobicContact CG-CZ3 3.86Å
244R90.8Very high89.1Confident191 Ų19169.6 Ų69.672%0.72135%0.349SS*.PPolyproline II helixtrans-94.6156.9172.3-61.6-175.7-172-166.41.8110.9A231 N234 G246 E247A231-R244 WeakPolarHBondContact CB-O 3.28Å; N234-R244 WeakPolarHBondContact OD1-CA 3.45Å; R244-G246 PolarHBondContact O-N 2.66Å; R244-E247 PolarHBondContact N-OE2 3.42Å; R244-E247 WeakPolarHBondContact O-CB 3.47Å; R244-E247 PolarHBondContact O-N 2.7Å
245T89.9Confident89Confident88 Ų8866.5 Ų66.554%0.5433%0.333SS..THydrogen-bonded Turntrans-55.5127.6176.4-540000110.9R232 R233 N234 E247R232-T245 WeakPolarHBondContact O-CG2 3.38Å; R233-T245 WeakPolarHBondContact CA-OG1 3.48Å; N234-T245 PolarHBondContact N-OG1 3.35Å; N234-T245 PolarHBondContact OD1-N 3.11Å; N234-T245 PolarHBondContact OD1-OG1 2.92Å; T245-E247 VanDerWaalsContact C-N 3.29Å
246G87.4Confident88.8Confident44 Ų4467.1 Ų67.145%0.45434%0.339SS..THydrogen-bonded Turntrans82.9-5.4-177.400000115A231 R244A231-G246 PolarHBondContact O-N 2.81Å; R244-G246 PolarHBondContact O-N 2.66Å
247E89.5Confident88.8Confident61 Ų6165.7 Ų65.729%0.28534%0.34SS..  trans-66.7136.5174-167.7-179.2147.500110.1R230 A231 R243 R244 T245 W249R230-E247 CarbonylContact C-O 3.6Å; R230-E247 WeakPolarHBondContact CA-O 3.45Å; A231-E247 PolarHBondContact N-O 3.2Å; R243-E247 WeakPolarHBondContact CA-OE2 3.2Å; R243-E247 VanDerWaalsContact CD-OE1 3.24Å; R243-E247 WeakPolarHBondContact CD-OE1 3.47Å; R243-E247 IonicContact CZ-OE1 3.28Å; R243-E247 IonicContact NE-OE1 2.78Å; R243-E247 IonicContact NH1-OE1 3.76Å; R243-E247 PolarHBondContact NH1-OE1 3.24Å; R244-E247 PolarHBondContact N-OE2 3.42Å; R244-E247 WeakPolarHBondContact O-CB 3.47Å; R244-E247 PolarHBondContact O-N 2.7Å; T245-E247 VanDerWaalsContact C-N 3.29Å; E247-W249 WeakPolarHBondContact O-CZ3 3.19Å
248E91.2Very high88.9Confident75 Ų7566.4 Ų66.435%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-116.3143-179.1-62.6-175.8-175.800110.6H228 L229 R230 L268 P312H228-E248 IonicContact CE1-OE2 3.46Å; H228-E248 PolarHBondContact CE1-OE2 2.93Å; H228-E248 VanDerWaalsContact CE1-OE2 3.31Å; H228-E248 IonicContact NE2-OE2 2.72Å; H228-E248 PolarHBondContact NE2-OE2 3.48Å; L229-E248 CarbonylContact O-C 3.57Å; L229-E248 VanDerWaalsContact O-CA 3.22Å; L229-E248 WeakPolarHBondContact O-CA 3.42Å; R230-E248 HydrophobicContact CB-CG 3.99Å; R230-E248 HydrophobicContact CG-CG 3.91Å; E248-L268 HydrophobicContact CG-CD1 4.16Å; E248-P312 HydrophobicContact CB-CB 3.8Å; E248-P312 HydrophobicContact CB-CG 4.11Å
249W91.1Very high89.3Confident10 Ų1062.4 Ų62.44%0.03833%0.329CS..EExtended strand (participates in β ladder)trans-151.8168.6176.66895.9000111.4L229 A231 F235 R243 E247 E265L229-W249 HydrophobicContact CB-CD2 4.23Å; L229-W249 HydrophobicContact CB-CH2 4.18Å; L229-W249 HydrophobicContact CB-CZ2 3.75Å; L229-W249 HydrophobicContact CD1-CZ2 3.93Å; L229-W249 PolarHBondContact N-O 3.06Å; L229-W249 PolarHBondContact O-N 3.37Å; A231-W249 HydrophobicContact CB-CH2 4.06Å; A231-W249 HydrophobicContact CB-CZ3 3.71Å; F235-W249 AromaticContact CE1-CH2 3.95Å; F235-W249 HydrophobicContact CE1-CH2 3.95Å; F235-W249 AromaticContact CZ-CH2 3.87Å; F235-W249 HydrophobicContact CZ-CH2 3.87Å; F235-W249 HydrophobicContact CZ-CZ2 4.19Å; R243-W249 HydrophobicContact CB-CH2 4.47Å; R243-W249 HydrophobicContact CB-CZ3 4.2Å; R243-W249 HydrophobicContact CG-CE3 4.18Å; R243-W249 HydrophobicContact CG-CH2 3.98Å; R243-W249 HydrophobicContact CG-CZ2 4.38Å; R243-W249 HydrophobicContact CG-CZ3 3.86Å; E247-W249 WeakPolarHBondContact O-CZ3 3.19Å; W249-E265 HydrophobicContact CH2-CG 4.19Å; W249-E265 HydrophobicContact CZ2-CG 4.07Å
250L92.4Very high89.6Confident10 Ų1059.2 Ų59.25%0.05232%0.321CS..EExtended strand (participates in β ladder)trans-103144.1171.1-62-177.2000111.4A226 L227 H228 V271 F309 L310 P312A226-L250 HydrophobicContact CB-CB 4.35Å; A226-L250 HydrophobicContact CB-CD1 4.3Å; L227-L250 CarbonylContact O-C 3.59Å; L227-L250 VanDerWaalsContact O-CA 3.31Å; L227-L250 WeakPolarHBondContact O-CA 3.48Å; H228-L250 HydrophobicContact CB-CD2 3.72Å; L250-V271 HydrophobicContact CD2-CB 4.32Å; L250-V271 HydrophobicContact CD2-CG2 3.89Å; L250-F309 HydrophobicContact CD1-CB 3.69Å; L250-L310 WeakPolarHBondContact CD1-O 3.28Å; L250-P312 HydrophobicContact CG-CG 4.39Å
251V91.9Very high90Very high0 Ų059.1 Ų59.10%032%0.315CS..EExtended strand (participates in β ladder)trans-110.6124.4165.8-175.90000107.9L221 A226 L227 L229 F238 D255 T256 H259L221-V251 HydrophobicContact CD1-CB 4.16Å; L221-V251 HydrophobicContact CD1-CG1 3.63Å; L221-V251 WeakPolarHBondContact CD1-O 3.49Å; A226-V251 CarbonylContact C-O 3.55Å; A226-V251 WeakPolarHBondContact CA-O 2.98Å; L227-V251 HydrophobicContact CB-CB 4.34Å; L227-V251 PolarHBondContact N-O 3.01Å; L227-V251 PolarHBondContact O-N 3.09Å; L229-V251 HydrophobicContact CD1-CG2 3.51Å; L229-V251 HydrophobicContact CG-CG2 4.3Å; F238-V251 HydrophobicContact CE1-CG1 4.14Å; F238-V251 HydrophobicContact CE1-CG2 4.08Å; F238-V251 HydrophobicContact CZ-CG1 3.87Å; V251-D255 HydrophobicContact CG1-CB 4.09Å; V251-T256 HydrophobicContact CG1-CG2 3.78Å; V251-H259 HydrophobicContact CG1-CB 4.25Å
252T91.4Very high90.1Very high25 Ų2558.5 Ų58.515%0.15331%0.31CS..  trans-113.8168.9-177.966.40000110.8A226 Q254 D255 T256 F309A226-T252 HydrophobicContact CB-CG2 4.05Å; T252-Q254 PolarHBondContact O-N 3.11Å; T252-Q254 VanDerWaalsContact O-N 3.16Å; T252-D255 PolarHBondContact N-OD2 2.97Å; T252-D255 WeakPolarHBondContact O-CB 3.33Å; T252-D255 PolarHBondContact O-N 3.26Å; T252-D255 PolarHBondContact OG1-OD2 2.83Å; T252-T256 PolarHBondContact O-N 2.83Å; T252-T256 VanDerWaalsContact O-N 3.15Å; T252-F309 HydrophobicContact CG2-CD2 3.86Å; T252-F309 HydrophobicContact CG2-CE2 3.94Å
253V90.3Very high90.1Very high43 Ų4355.1 Ų55.126%0.26129%0.286SS..THydrogen-bonded Turntrans-59.3-24.3175.372.60000113.3E223 D255 E257E223-V253 HydrophobicContact CB-CG1 4.43Å; E223-V253 HydrophobicContact CG-CG1 3.96Å; V253-D255 VanDerWaalsContact C-N 3.25Å; V253-D255 PolarHBondContact O-N 3.43Å; V253-E257 HydrophobicContact CG2-CG 4.33Å
254Q87.2Confident90Very high186 Ų18656.4 Ų56.487%0.86929%0.293SS*.THydrogen-bonded Turntrans-69.1-26.6174.3-64.7-1760.400112.3T252T252-Q254 PolarHBondContact O-N 3.11Å; T252-Q254 VanDerWaalsContact O-N 3.16Å
255D87.9Confident90.1Very high53 Ų5347.8 Ų47.828%0.28326%0.261SS..THydrogen-bonded Turntrans-84.8-48.9178.3-56.6-67.8000110.9F238 R239 V251 T252 V253F238-D255 HydrophobicContact CE2-CB 4.26Å; F238-D255 HydrophobicContact CZ-CB 3.93Å; R239-D255 WeakPolarHBondContact CD-OD1 3.29Å; R239-D255 IonicContact CZ-OD1 2.93Å; R239-D255 IonicContact NE-OD1 2.66Å; R239-D255 VanDerWaalsContact NH1-CG 3.3Å; R239-D255 IonicContact NH1-OD1 2.75Å; R239-D255 PolarHBondContact NH1-OD1 2.94Å; R239-D255 IonicContact NH1-OD2 3.61Å; R239-D255 PolarHBondContact NH1-OD2 3.36Å; V251-D255 HydrophobicContact CG1-CB 4.09Å; T252-D255 PolarHBondContact N-OD2 2.97Å; T252-D255 WeakPolarHBondContact O-CB 3.33Å; T252-D255 PolarHBondContact O-N 3.26Å; T252-D255 PolarHBondContact OG1-OD2 2.83Å; V253-D255 VanDerWaalsContact C-N 3.25Å; V253-D255 PolarHBondContact O-N 3.43Å
256T87.4Confident90.2Very high39 Ų3946 Ų4624%0.23925%0.246CC..  trans-160.1142.1175.1-175.40000110.7L221 F238 V251 T252 A258 H259L221-T256 HydrophobicContact CD1-CG2 4.41Å; F238-T256 HydrophobicContact CE2-CG2 4.26Å; F238-T256 HydrophobicContact CZ-CG2 4.06Å; V251-T256 HydrophobicContact CG1-CG2 3.78Å; T252-T256 PolarHBondContact O-N 2.83Å; T252-T256 VanDerWaalsContact O-N 3.15Å; T256-A258 VanDerWaalsContact C-N 3.32Å; T256-A258 PolarHBondContact OG1-N 3.34Å; T256-A258 PolarHBondContact OG1-O 3.35Å; T256-H259 HydrophobicContact CG2-CB 3.68Å
257E88.6Confident90.4Very high150 Ų15047.1 Ų47.170%0.70124%0.244SC*.SBendtrans-71.4-29.5175.3-64179.2179.100112.4L221 V253L221-E257 PolarHBondContact N-O 2.93Å; V253-E257 HydrophobicContact CG2-CG 4.33Å
258A89.1Confident90.4Very high22 Ų2247.5 Ų47.518%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-137.6118178.900000108.7N171 A218 T256N171-A258 HydrophobicContact CB-CB 4.45Å; A218-A258 HydrophobicContact CB-CB 3.96Å; T256-A258 VanDerWaalsContact C-N 3.32Å; T256-A258 PolarHBondContact OG1-N 3.34Å; T256-A258 PolarHBondContact OG1-O 3.35Å
259H91.9Very high90.4Very high9 Ų945.2 Ų45.24%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-107.1118.2179.3-171.267.3000110.2A218 V219 L221 L227 F238 V251 T256 P261 E265A218-H259 CarbonylContact C-O 3.56Å; A218-H259 WeakPolarHBondContact CA-O 3.33Å; V219-H259 PolarHBondContact N-O 3.1Å; V219-H259 PolarHBondContact O-N 2.86Å; L221-H259 HydrophobicContact CD1-CB 4.23Å; L227-H259 HydrophobicContact CD2-CB 4.29Å; F238-H259 AromaticContact CD1-CE1 3.51Å; F238-H259 AromaticContact CD1-ND1 3.83Å; F238-H259 AromaticContact CE1-CE1 3.52Å; F238-H259 AromaticContact CE1-ND1 3.54Å; V251-H259 HydrophobicContact CG1-CB 4.25Å; T256-H259 HydrophobicContact CG2-CB 3.68Å; H259-P261 WeakPolarHBondContact O-CD 3.5Å; H259-E265 IonicContact CD2-OE2 3.38Å; H259-E265 IonicContact CE1-OE1 2.68Å; H259-E265 IonicContact CE1-OE2 3.5Å; H259-E265 IonicContact NE2-OE1 2.85Å; H259-E265 IonicContact NE2-OE2 2.63Å; H259-E265 PolarHBondContact NE2-OE2 3.15Å
260V91.7Very high90.4Very high33 Ų3348.8 Ų48.820%0.227%0.267CS..  trans-87.9115.4168.9-178.60000107.5A173 L197 V216 A218 D262A173-V260 HydrophobicContact CB-CG1 3.68Å; L197-V260 HydrophobicContact CD1-CG1 4.14Å; V216-V260 HydrophobicContact CB-CG1 4.28Å; V216-V260 HydrophobicContact CG1-CG1 3.88Å; A218-V260 HydrophobicContact CB-CG2 3.56Å; V260-D262 PolarHBondContact O-N 3.09Å
261P91.5Very high90.4Very high22 Ų2249.7 Ų49.714%0.14327%0.273CS..  trans-61.6125.6179.4-21.533.5000111.4L197 V219 H259 E265 V267L197-P261 VanDerWaalsContact CD1-O 3.29Å; L197-P261 WeakPolarHBondContact CD1-O 3.07Å; V219-P261 HydrophobicContact CG2-CG 4.42Å; H259-P261 WeakPolarHBondContact O-CD 3.5Å; P261-E265 WeakPolarHBondContact CA-OE2 3.45Å; P261-V267 HydrophobicContact CB-CG2 3.69Å; P261-V267 HydrophobicContact CG-CG2 3.54Å
262D90.2Very high90.4Very high49 Ų4954 Ų5426%0.26230%0.301SS..  trans-73162178.7-165.613.1000112.1V260 H264 E265V260-D262 PolarHBondContact O-N 3.09Å; D262-H264 PolarHBondContact O-N 2.98Å; D262-H264 IonicContact OD2-CD2 3.19Å; D262-E265 HydrophobicContact CB-CB 4.42Å; D262-E265 HydrophobicContact CB-CG 3.94Å; D262-E265 PolarHBondContact N-OE2 3.41Å; D262-E265 WeakPolarHBondContact O-CB 3.36Å; D262-E265 PolarHBondContact O-N 2.81Å
263V88.8Confident90.4Very high20 Ų2054.9 Ų54.912%0.12130%0.304CS..THydrogen-bonded Turntrans-58.8-30.5176.5-1760000111.8R175 E195 L197 E265R175-V263 HydrophobicContact CG-CG2 4.43Å; E195-V263 HydrophobicContact CB-CG1 3.61Å; E195-V263 HydrophobicContact CB-CG2 4.39Å; L197-V263 HydrophobicContact CG-CG2 3.95Å; V263-E265 VanDerWaalsContact C-N 3.32Å
264H90.8Very high90.5Very high54 Ų5453.7 Ų53.725%0.2530%0.297CS..THydrogen-bonded Turntrans-85.6-5.4178.7-53.1-37000113.3R232 F235 D262R232-H264 PolarHBondContact N-O 2.69Å; F235-H264 HydrophobicContact CB-CB 4.14Å; F235-H264 HydrophobicContact CD1-CB 3.64Å; F235-H264 HydrophobicContact CD2-CB 3.92Å; F235-H264 HydrophobicContact CE1-CB 3.98Å; F235-H264 HydrophobicContact CE2-CB 4.24Å; F235-H264 HydrophobicContact CG-CB 3.63Å; F235-H264 HydrophobicContact CZ-CB 4.29Å; D262-H264 PolarHBondContact O-N 2.98Å; D262-H264 IonicContact OD2-CD2 3.19Å
265E92Very high90.6Very high11 Ų1148.4 Ų48.45%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-101.3147.7179.1-64.6174.1168.600110.5L229 R230 F235 W249 H259 P261 D262 V263L229-E265 HydrophobicContact CD1-CG 4.47Å; R230-E265 CarbonylContact O-C 3.54Å; F235-E265 HydrophobicContact CE1-CG 4.25Å; F235-E265 HydrophobicContact CE2-CG 4.1Å; F235-E265 HydrophobicContact CZ-CG 3.45Å; F235-E265 VanDerWaalsContact CZ-CG 3.45Å; W249-E265 HydrophobicContact CH2-CG 4.19Å; W249-E265 HydrophobicContact CZ2-CG 4.07Å; H259-E265 IonicContact CD2-OE2 3.38Å; H259-E265 IonicContact CE1-OE1 2.68Å; H259-E265 IonicContact CE1-OE2 3.5Å; H259-E265 IonicContact NE2-OE1 2.85Å; H259-E265 IonicContact NE2-OE2 2.63Å; H259-E265 PolarHBondContact NE2-OE2 3.15Å; P261-E265 WeakPolarHBondContact CA-OE2 3.45Å; D262-E265 HydrophobicContact CB-CB 4.42Å; D262-E265 HydrophobicContact CB-CG 3.94Å; D262-E265 PolarHBondContact N-OE2 3.41Å; D262-E265 WeakPolarHBondContact O-CB 3.36Å; D262-E265 PolarHBondContact O-N 2.81Å; V263-E265 VanDerWaalsContact C-N 3.32Å
266E91.6Very high90.8Very high51 Ų5146 Ų4624%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-123.4121.1171.5-176.4179.2-172.600108.6L229 R230 R232 L268L229-E266 CarbonylContact C-O 3.53Å; L229-E266 WeakPolarHBondContact CA-O 3.38Å; R230-E266 HydrophobicContact CB-CB 4.34Å; R230-E266 IonicContact CZ-OE1 3.91Å; R230-E266 IonicContact CZ-OE2 3.1Å; R230-E266 PolarHBondContact N-O 2.8Å; R230-E266 IonicContact NE-OE2 3.98Å; R230-E266 PolarHBondContact NE-OE2 2.8Å; R230-E266 IonicContact NH2-OE1 3.65Å; R230-E266 PolarHBondContact NH2-OE1 3.43Å; R230-E266 IonicContact NH2-OE2 3.91Å; R230-E266 PolarHBondContact NH2-OE2 2.88Å; R230-E266 PolarHBondContact O-N 3.03Å; R232-E266 HydrophobicContact CG-CB 3.99Å; E266-L268 PolarHBondContact O-N 2.74Å
267V91.6Very high90.9Very high66 Ų6645.1 Ų45.140%0.426%0.264SS..EExtended strand (participates in β ladder)trans-77.3111.8176.3-178.10000108.9L227 L229 P261L227-V267 HydrophobicContact CD1-CG1 3.64Å; L227-V267 HydrophobicContact CG-CG1 4.41Å; L229-V267 HydrophobicContact CD2-CB 4.35Å; L229-V267 HydrophobicContact CD2-CG2 3.77Å; P261-V267 HydrophobicContact CB-CG2 3.69Å; P261-V267 HydrophobicContact CG-CG2 3.54Å
268L90.8Very high90.8Very high69 Ų6941.9 Ų41.936%0.36126%0.256SS..EExtended strand (participates in β ladder)trans-83.6-34.3175.4-66.2-179.6000111.7H228 R230 E248 E266H228-L268 HydrophobicContact CB-CB 4.42Å; H228-L268 PolarHBondContact O-N 2.96Å; R230-L268 HydrophobicContact CB-CD1 3.9Å; R230-L268 HydrophobicContact CB-CD2 4.45Å; R230-L268 HydrophobicContact CB-CG 4.08Å; E248-L268 HydrophobicContact CG-CD1 4.16Å; E266-L268 PolarHBondContact O-N 2.74Å
269G90.9Very high90.7Very high28 Ų2845.2 Ų45.229%0.28927%0.268SS..EExtended strand (participates in β ladder)trans164.5-173.3177.400000113.8H228H228-G269 PolarHBondContact N-O 2.62Å
270V91.4Very high90.7Very high85 Ų8546.7 Ų46.752%0.51528%0.276SS..EExtended strand (participates in β ladder)trans-106.4127.1175.4-178.60000108.9T225 A226 L227T225-V270 HydrophobicContact CG2-CG1 4.12Å; A226-V270 CarbonylContact O-C 3.47Å; A226-V270 WeakPolarHBondContact O-CA 3.46Å; L227-V270 HydrophobicContact CD1-CG2 4.33Å
271V91Very high90.7Very high29 Ų2945.5 Ų45.518%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-100118.5179.2178.30000109.1A226 H228 L250 F309A226-V271 HydrophobicContact CB-CB 4.48Å; A226-V271 PolarHBondContact N-O 2.91Å; A226-V271 PolarHBondContact O-N 3.15Å; H228-V271 HydrophobicContact CB-CG2 3.95Å; L250-V271 HydrophobicContact CD2-CB 4.32Å; L250-V271 HydrophobicContact CD2-CG2 3.89Å; V271-F309 HydrophobicContact CG1-CD1 4.47Å
272P92Very high90.7Very high91 Ų9144.5 Ų44.559%0.59126%0.261SS*.EExtended strand (participates in β ladder)trans-72.3152.9175.330.8-34.2000111.2K224K224-P272 CarbonylContact O-C 3.6Å; K224-P272 WeakPolarHBondContact O-CA 3.36Å
273I92.6Very high90.7Very high42 Ų4242.8 Ų42.822%0.21525%0.252CS..PPolyproline II helixtrans-66.7135.6173.5-163.6159.9000110.6E223 K224 F309E223-I273 WeakPolarHBondContact O-CD1 3.47Å; K224-I273 HydrophobicContact CB-CG2 3.93Å; K224-I273 HydrophobicContact CG-CG2 4.09Å; K224-I273 PolarHBondContact O-N 2.78Å; I273-F309 HydrophobicContact CB-CD1 4.11Å; I273-F309 HydrophobicContact CB-CE1 3.6Å; I273-F309 HydrophobicContact CB-CZ 3.95Å; I273-F309 HydrophobicContact CD1-CE2 4.23Å; I273-F309 HydrophobicContact CD1-CZ 4.07Å; I273-F309 HydrophobicContact CG1-CD1 4.43Å; I273-F309 HydrophobicContact CG1-CE1 4.15Å; I273-F309 HydrophobicContact CG1-CZ 4.19Å
274T91.6Very high90.9Very high19 Ų1941.8 Ų41.812%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-92.1110.8170.4-570000107.8S307 F308 L316 I320T274-S307 WeakPolarHBondContact O-CA 3.4Å; T274-F308 WeakPolarHBondContact CA-O 3.3Å; T274-F308 WeakPolarHBondContact CB-O 3.38Å; T274-F308 HydrophobicContact CG2-CZ 4.18Å; T274-F308 PolarHBondContact N-O 3.32Å; T274-F308 PolarHBondContact O-N 2.95Å; T274-L316 HydrophobicContact CG2-CD1 4.36Å; T274-I320 HydrophobicContact CG2-CD1 4.19Å; T274-I320 HydrophobicContact CG2-CG1 4.41Å
275T90Very high90.9Very high75 Ų7541.3 Ų41.346%0.4625%0.245SC..EExtended strand (participates in β ladder)trans-104.7122.8179.2-61.60000110S307T275-S307 WeakPolarHBondContact CG2-OG 3.43Å; T275-S307 PolarHBondContact OG1-OG 2.63Å
276L91Very high90.9Very high1 Ų143 Ų431%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-97.4134.2170.5-63.5174.2000109.2N280 C282 V302 G304 E305 K306 F308 I320L276-N280 HydrophobicContact CB-CB 4.41Å; L276-N280 HydrophobicContact CD2-CB 4.22Å; L276-C282 HydrophobicContact CD2-CB 4.11Å; L276-V302 HydrophobicContact CD1-CB 4.11Å; L276-V302 HydrophobicContact CD1-CG1 3.72Å; L276-V302 WeakPolarHBondContact CD1-O 3.35Å; L276-G304 WeakPolarHBondContact CB-O 3.24Å; L276-E305 WeakPolarHBondContact O-CA 3.23Å; L276-K306 PolarHBondContact N-O 2.9Å; L276-K306 PolarHBondContact O-N 2.85Å; L276-F308 HydrophobicContact CD1-CE1 3.84Å; L276-F308 HydrophobicContact CG-CE1 4.23Å; L276-I320 HydrophobicContact CD2-CB 4.4Å; L276-I320 HydrophobicContact CD2-CG1 4.06Å; L276-I320 HydrophobicContact CD2-CG2 3.69Å
277G89.3Confident90.8Very high21 Ų2140.9 Ų40.922%0.21625%0.245CC..  trans-76.2177.3168.200000112.9H279 N280 G304 E305G277-H279 VanDerWaalsContact C-N 3.29Å; G277-H279 PolarHBondContact O-N 2.91Å; G277-N280 PolarHBondContact O-N 3Å; G277-G304 CarbonylContact O-C 3.57Å; G277-E305 PolarHBondContact O-N 3.34Å
278P86.6Confident90.6Very high83 Ų8339 Ų3954%0.53923%0.234SC..THydrogen-bonded Turntrans-61.1-36-179.424-33.5000113
279H88.5Confident90.3Very high92 Ų9236.2 Ų36.243%0.42622%0.222SC..THydrogen-bonded Turntrans-104.328.9179.4-54.5-68.5000112.4G277 D322 V323 E364G277-H279 VanDerWaalsContact C-N 3.29Å; G277-H279 PolarHBondContact O-N 2.91Å; H279-D322 CarbonylContact O-C 3.57Å; H279-D322 WeakPolarHBondContact O-CA 3.26Å; H279-V323 WeakPolarHBondContact O-CB 3.28Å; H279-V323 VanDerWaalsContact O-CG2 3.31Å; H279-V323 WeakPolarHBondContact O-CG2 3.35Å; H279-V323 PolarHBondContact O-N 3.3Å; H279-E364 IonicContact CE1-OE1 2.83Å; H279-E364 PolarHBondContact CE1-OE1 2.92Å; H279-E364 VanDerWaalsContact CE1-OE1 3.24Å; H279-E364 IonicContact ND1-OE1 3.29Å; H279-E364 PolarHBondContact ND1-OE1 3.19Å; H279-E364 IonicContact ND1-OE2 3.95Å
280N90.8Very high89.8Confident40 Ų4041.6 Ų41.621%0.21425%0.251CS..EExtended strand (participates in β ladder)trans-119.5150.7178.1-61.430.3000110.5L276 G277 G304 I320 Q321L276-N280 HydrophobicContact CB-CB 4.41Å; L276-N280 HydrophobicContact CD2-CB 4.22Å; G277-N280 PolarHBondContact O-N 3Å; N280-G304 PolarHBondContact O-N 2.77Å; N280-I320 HydrophobicContact CB-CG2 3.86Å; N280-I320 WeakPolarHBondContact ND2-CG2 3.5Å; N280-Q321 CarbonylContact C-O 3.55Å; N280-Q321 VanDerWaalsContact CA-O 3.26Å; N280-Q321 WeakPolarHBondContact CA-O 3.29Å
281Y91.9Very high89.2Confident8 Ų842.4 Ų42.43%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-139.9162.917079.5-81.7000110.4V283 V301 V302 Q321 D322 V323 Y324 V366Y281-V283 HydrophobicContact CD2-CG2 4.47Å; Y281-V283 HydrophobicContact CE2-CG2 4.17Å; Y281-V301 HydrophobicContact CD2-CG1 4.07Å; Y281-V302 CarbonylContact C-O 3.51Å; Y281-V302 VanDerWaalsContact CA-O 3.22Å; Y281-V302 WeakPolarHBondContact CA-O 3.31Å; Y281-V302 WeakPolarHBondContact CB-O 3.37Å; Y281-Q321 HydrophobicContact CD1-CB 4.04Å; Y281-Q321 HydrophobicContact CE1-CB 3.61Å; Y281-Q321 HydrophobicContact CE2-CB 4.39Å; Y281-Q321 PolarHBondContact N-O 3.03Å; Y281-Q321 PolarHBondContact O-N 3.06Å; Y281-Q321 VanDerWaalsContact O-O 3.07Å; Y281-Q321 PolarHBondContact OH-OE1 3.45Å; Y281-D322 VanDerWaalsContact CE1-O 3.25Å; Y281-D322 WeakPolarHBondContact CE1-O 3.41Å; Y281-V323 HydrophobicContact CD1-CG2 4.21Å; Y281-Y324 HydrophobicContact CE1-CE2 4.37Å; Y281-V366 HydrophobicContact CD1-CG1 4.29Å; Y281-V366 HydrophobicContact CD2-CG1 3.83Å; Y281-V366 HydrophobicContact CE2-CG1 4.41Å; Y281-V366 HydrophobicContact CG-CG1 3.75Å
282C91.2Very high88.6Confident0 Ų043.7 Ų43.70%027%0.273CS..EExtended strand (participates in β ladder)trans-145.8157.4170.366.50000110.3L276 V302 L316 G319L276-C282 HydrophobicContact CD2-CB 4.11Å; C282-V302 PolarHBondContact N-O 3.36Å; C282-V302 PolarHBondContact O-N 2.97Å; C282-L316 HydrophobicContact CB-CD2 3.99Å; C282-G319 WeakPolarHBondContact CB-O 3.5Å
283V91.2Very high88.3Confident13 Ų1346.2 Ų46.28%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-110.9115.4177.8-173.30000108.2Y281 K299 V301 E317Y281-V283 HydrophobicContact CD2-CG2 4.47Å; Y281-V283 HydrophobicContact CE2-CG2 4.17Å; V283-K299 HydrophobicContact CG1-CB 3.95Å; V283-K299 HydrophobicContact CG1-CD 4.16Å; V283-K299 HydrophobicContact CG1-CG 4.4Å; V283-V301 HydrophobicContact CG2-CG2 4.25Å; V283-E317 HydrophobicContact CB-CB 4.34Å; V283-E317 PolarHBondContact O-N 3.46Å
284I92Very high88Confident0 Ų047 Ų470%028%0.278CS..EExtended strand (participates in β ladder)trans-90.1122.9177.5-57.6173.5000108.3P287 K299 R300 V302 F308 L310 E314 Q315 L316I284-P287 HydrophobicContact CG2-CB 4.46Å; I284-K299 CarbonylContact O-C 3.56Å; I284-K299 WeakPolarHBondContact O-CA 3.36Å; I284-R300 HydrophobicContact CB-CB 4.43Å; I284-R300 PolarHBondContact N-O 2.78Å; I284-R300 PolarHBondContact O-N 3.21Å; I284-V302 HydrophobicContact CD1-CG2 3.61Å; I284-V302 HydrophobicContact CG1-CG2 4.35Å; I284-F308 HydrophobicContact CD1-CD2 4.47Å; I284-F308 HydrophobicContact CD1-CE2 3.55Å; I284-F308 HydrophobicContact CD1-CZ 3.82Å; I284-F308 HydrophobicContact CG1-CE2 4.43Å; I284-L310 HydrophobicContact CG1-CD2 4.46Å; I284-E314 HydrophobicContact CG2-CB 3.81Å; I284-E314 HydrophobicContact CG2-CG 3.87Å; I284-Q315 WeakPolarHBondContact CA-O 3.41Å; I284-L316 HydrophobicContact CG1-CD2 4.11Å
285L90.9Very high87.8Confident44 Ų4449.1 Ų49.123%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-83.1144.4169.9-58.6-179.3000109.9K299 Q315 E317L285-K299 HydrophobicContact CD2-CD 4.23Å; L285-K299 HydrophobicContact CD2-CG 3.88Å; L285-Q315 PolarHBondContact N-O 3.03Å; L285-Q315 PolarHBondContact O-N 3.45Å; L285-E317 HydrophobicContact CD1-CB 4.13Å; L285-E317 HydrophobicContact CD1-CG 4.36Å; L285-E317 HydrophobicContact CD2-CB 3.99Å; L285-E317 HydrophobicContact CD2-CG 4.25Å; L285-E317 HydrophobicContact CG-CB 3.99Å
286D91.2Very high87.6Confident47 Ų4752 Ų5225%0.25130%0.299SS..SBendtrans52.749.7175.3-55.7-24.9000113.7N294 L296 G297 Q298D286-N294 HydrophobicContact CB-CB 4.48Å; D286-L296 HydrophobicContact CB-CD2 4.13Å; D286-L296 VanDerWaalsContact OD1-CA 3.32Å; D286-L296 WeakPolarHBondContact OD1-CA 3.49Å; D286-G297 PolarHBondContact OD1-N 3.12Å; D286-Q298 PolarHBondContact N-O 3.37Å
287P89.8Confident87.2Confident6 Ų655.4 Ų55.44%0.03933%0.334CS..PPolyproline II helixtrans-58.4142.3-173.128.3-36.9000111.2I284 G289 Q295 Q298 R300 E314I284-P287 HydrophobicContact CG2-CB 4.46Å; P287-G289 PolarHBondContact O-N 3.13Å; P287-Q295 HydrophobicContact CG-CB 4.49Å; P287-Q295 WeakPolarHBondContact O-CB 3.4Å; P287-Q295 PolarHBondContact O-N 3.34Å; P287-Q298 WeakPolarHBondContact CD-O 3.5Å; P287-Q298 HydrophobicContact CG-CB 4.23Å; P287-R300 HydrophobicContact CB-CB 3.8Å; P287-R300 HydrophobicContact CG-CB 3.9Å; P287-E314 WeakPolarHBondContact CA-OE1 3.49Å
288V87.9Confident87.1Confident26 Ų2659.6 Ų59.616%0.15835%0.348CS..BIsolated β-bridgetrans-72.2123.7174.4178.20000109.4K293 N294 Q311 E314V288-K293 WeakPolarHBondContact CA-O 3.36Å; V288-N294 WeakPolarHBondContact CG2-OD1 3.29Å; V288-Q311 HydrophobicContact CB-CB 4.08Å; V288-Q311 HydrophobicContact CB-CG 4.21Å; V288-Q311 HydrophobicContact CG2-CB 3.46Å; V288-Q311 VanDerWaalsContact CG2-CB 3.46Å; V288-Q311 HydrophobicContact CG2-CG 4.14Å; V288-E314 HydrophobicContact CG2-CG 4.13Å; V288-E314 PolarHBondContact N-OE1 2.83Å
289G83.9Confident87.2Confident10 Ų1059.5 Ų59.510%0.10334%0.339CS..PPolyproline II helixtrans-73.2173.6176.900000113.3P287 D291 G292 K293P287-G289 PolarHBondContact O-N 3.13Å; G289-D291 WeakPolarHBondContact CA-OD1 3.34Å; G289-D291 PolarHBondContact O-N 3.19Å; G289-D291 VanDerWaalsContact O-N 3.15Å; G289-G292 PolarHBondContact O-N 3.12Å; G289-K293 PolarHBondContact N-O 3.11Å
290P80.9Confident87.2Confident141 Ų14159.6 Ų59.692%0.91634%0.336SS*.THydrogen-bonded Turntrans-64.4-15.8175.328.4-35.2000113.2G292P290-G292 VanDerWaalsContact C-N 3.28Å
291D79.2Confident87.2Confident102 Ų10259.8 Ų59.855%0.54534%0.338SS..THydrogen-bonded Turntrans-82.6-0.8173.863.3-35.2000113.5G289 K293G289-D291 WeakPolarHBondContact CA-OD1 3.34Å; G289-D291 PolarHBondContact O-N 3.19Å; G289-D291 VanDerWaalsContact O-N 3.15Å; D291-K293 VanDerWaalsContact C-N 3.32Å
292G79.2Confident87.2Confident57 Ų5760.2 Ų60.259%0.58834%0.342SS*.SBendtrans76.914.2179.300000114.2G289 P290G289-G292 PolarHBondContact O-N 3.12Å; P290-G292 VanDerWaalsContact C-N 3.28Å
293K84.1Confident87Confident144 Ų14466.4 Ų66.463%0.62637%0.369SS*.SBendtrans-115.1148178.7-63.3-178.9-178.4175.50111.9V288 G289 D291 Q295V288-K293 WeakPolarHBondContact CA-O 3.36Å; G289-K293 PolarHBondContact N-O 3.11Å; D291-K293 VanDerWaalsContact C-N 3.32Å; K293-Q295 PolarHBondContact O-N 2.71Å
294N86.5Confident86.8Confident57 Ų5766.7 Ų66.731%0.30538%0.375SS..BIsolated β-bridgetrans-70.7127.4178.9-57.229.5000110.3D286 V288 L296 P312 G313D286-N294 HydrophobicContact CB-CB 4.48Å; V288-N294 WeakPolarHBondContact CG2-OD1 3.29Å; N294-L296 HydrophobicContact CB-CD2 4.26Å; N294-L296 PolarHBondContact O-N 2.88Å; N294-L296 VanDerWaalsContact O-N 3.17Å; N294-P312 PolarHBondContact ND2-O 3.26Å; N294-P312 PolarHBondContact OD1-O 2.84Å; N294-G313 VanDerWaalsContact ND2-CA 3.35Å; N294-G313 WeakPolarHBondContact ND2-CA 3.31Å
295Q88.3Confident86.6Confident64 Ų6474.4 Ų74.430%0.29941%0.411SS..  trans-87.280.6176.6-62.4-177.9-2.300109.9P287 K293 G297 Q298P287-Q295 HydrophobicContact CG-CB 4.49Å; P287-Q295 WeakPolarHBondContact O-CB 3.4Å; P287-Q295 PolarHBondContact O-N 3.34Å; K293-Q295 PolarHBondContact O-N 2.71Å; Q295-G297 PolarHBondContact O-N 2.98Å; Q295-Q298 HydrophobicContact CB-CB 4.13Å; Q295-Q298 HydrophobicContact CB-CG 4.14Å; Q295-Q298 WeakPolarHBondContact O-CB 3.49Å; Q295-Q298 PolarHBondContact O-N 3.47Å
296L84.9Confident86.5Confident137 Ų13777.7 Ų77.772%0.71742%0.423SS*.THydrogen-bonded Turntrans-54.3130.1-175.1-57.9179.4000112.5D286 N294 Q298D286-L296 HydrophobicContact CB-CD2 4.13Å; D286-L296 VanDerWaalsContact OD1-CA 3.32Å; D286-L296 WeakPolarHBondContact OD1-CA 3.49Å; N294-L296 HydrophobicContact CB-CD2 4.26Å; N294-L296 PolarHBondContact O-N 2.88Å; N294-L296 VanDerWaalsContact O-N 3.17Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 2.98Å
297G82.5Confident86.4Confident71 Ų7178.9 Ų78.973%0.73244%0.435SS*.THydrogen-bonded Turntrans82.3-6-178.800000114.9D286 Q295D286-G297 PolarHBondContact OD1-N 3.12Å; Q295-G297 PolarHBondContact O-N 2.98Å
298Q86.7Confident86.4Confident110 Ų11080.5 Ų80.551%0.51444%0.442SS..  trans-85.1150.9172.6-64.5-156.330.300111.5D286 P287 Q295 L296D286-Q298 PolarHBondContact N-O 3.37Å; P287-Q298 WeakPolarHBondContact CD-O 3.5Å; P287-Q298 HydrophobicContact CG-CB 4.23Å; Q295-Q298 HydrophobicContact CB-CB 4.13Å; Q295-Q298 HydrophobicContact CB-CG 4.14Å; Q295-Q298 WeakPolarHBondContact O-CB 3.49Å; Q295-Q298 PolarHBondContact O-N 3.47Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 2.98Å
299K89.4Confident86.6Confident81 Ų8180.7 Ų80.735%0.35244%0.44SS..EExtended strand (participates in β ladder)trans-119.2131.4176.2-60.5-172.2174.7-165.60109.4V283 I284 L285 E317 A369V283-K299 HydrophobicContact CG1-CB 3.95Å; V283-K299 HydrophobicContact CG1-CD 4.16Å; V283-K299 HydrophobicContact CG1-CG 4.4Å; I284-K299 CarbonylContact O-C 3.56Å; I284-K299 WeakPolarHBondContact O-CA 3.36Å; L285-K299 HydrophobicContact CD2-CD 4.23Å; L285-K299 HydrophobicContact CD2-CG 3.88Å; K299-E317 IonicContact NZ-OE1 3.95Å; K299-E317 PolarHBondContact NZ-OE1 3.31Å; K299-E317 IonicContact NZ-OE2 3.56Å; K299-E317 PolarHBondContact NZ-OE2 3.37Å; K299-A369 HydrophobicContact CB-CB 3.88Å
300R89.3Confident87Confident94 Ų9482 Ų8236%0.35545%0.445SS..EExtended strand (participates in β ladder)trans-116.2117.9174.8-178175.269.9-158.7-5.9109.8I284 P287 V302 E314I284-R300 HydrophobicContact CB-CB 4.43Å; I284-R300 PolarHBondContact N-O 2.78Å; I284-R300 PolarHBondContact O-N 3.21Å; P287-R300 HydrophobicContact CB-CB 3.8Å; P287-R300 HydrophobicContact CG-CB 3.9Å; R300-V302 HydrophobicContact CG-CG2 4.37Å; R300-E314 IonicContact CZ-OE1 3.62Å; R300-E314 IonicContact NH1-OE1 3.86Å; R300-E314 IonicContact NH2-OE1 2.76Å; R300-E314 PolarHBondContact NH2-OE1 3.22Å; R300-E314 IonicContact NH2-OE2 3.66Å
301V90.7Very high87.5Confident43 Ų4378.9 Ų78.926%0.26142%0.418SS..EExtended strand (participates in β ladder)trans-85.3127.3174.8-174.10000109.3Y281 V283 V366 A369Y281-V301 HydrophobicContact CD2-CG1 4.07Å; V283-V301 HydrophobicContact CG2-CG2 4.25Å; V301-V366 HydrophobicContact CG1-CG1 3.79Å; V301-A369 HydrophobicContact CG2-CB 4.03Å
302V91Very high88Confident18 Ų1874.9 Ų74.911%0.10940%0.398CS..EExtended strand (participates in β ladder)trans-117.8124.9174.1-174.10000107.9L276 Y281 C282 I284 R300 K306 F308L276-V302 HydrophobicContact CD1-CB 4.11Å; L276-V302 HydrophobicContact CD1-CG1 3.72Å; L276-V302 WeakPolarHBondContact CD1-O 3.35Å; Y281-V302 CarbonylContact C-O 3.51Å; Y281-V302 VanDerWaalsContact CA-O 3.22Å; Y281-V302 WeakPolarHBondContact CA-O 3.31Å; Y281-V302 WeakPolarHBondContact CB-O 3.37Å; C282-V302 PolarHBondContact N-O 3.36Å; C282-V302 PolarHBondContact O-N 2.97Å; I284-V302 HydrophobicContact CD1-CG2 3.61Å; I284-V302 HydrophobicContact CG1-CG2 4.35Å; R300-V302 HydrophobicContact CG-CG2 4.37Å; V302-K306 HydrophobicContact CG1-CD 3.75Å; V302-F308 HydrophobicContact CB-CE1 4.3Å; V302-F308 HydrophobicContact CB-CZ 4.44Å; V302-F308 HydrophobicContact CG1-CD1 4.37Å; V302-F308 HydrophobicContact CG1-CE1 3.79Å; V302-F308 HydrophobicContact CG1-CZ 4.4Å; V302-F308 HydrophobicContact CG2-CZ 4.49Å
303K88.5Confident88.4Confident129 Ų12974.2 Ų74.256%0.56139%0.391SS*.EExtended strand (participates in β ladder)trans-127.3155.4-177.867.2174.7-177.6175.30112.8V366K303-V366 HydrophobicContact CB-CG1 4.19Å; K303-V366 HydrophobicContact CB-CG2 4.19Å; K303-V366 HydrophobicContact CD-CB 4.01Å; K303-V366 HydrophobicContact CD-CG1 4.21Å; K303-V366 HydrophobicContact CD-CG2 3.8Å
304G85.8Confident88.7Confident20 Ų2068 Ų6821%0.20636%0.364CS..SBendtrans81.5-177.9174.200000113.5L276 G277 N280 K306L276-G304 WeakPolarHBondContact CB-O 3.24Å; G277-G304 CarbonylContact O-C 3.57Å; N280-G304 PolarHBondContact O-N 2.77Å; G304-K306 PolarHBondContact O-N 2.79Å
305E87.8Confident88.9Confident162 Ų16271.5 Ų71.576%0.75738%0.379SS*.SBendtrans-63.396.7-177.5-170177.6-175.100111.3L276 G277L276-E305 WeakPolarHBondContact O-CA 3.23Å; G277-E305 PolarHBondContact O-N 3.34Å
306K88.4Confident89Confident113 Ų11370.8 Ų70.849%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-145137-177.8-70.5-174.9179.5178.40109.7L276 V302 G304 F308L276-K306 PolarHBondContact N-O 2.9Å; L276-K306 PolarHBondContact O-N 2.85Å; V302-K306 HydrophobicContact CG1-CD 3.75Å; G304-K306 PolarHBondContact O-N 2.79Å; K306-F308 HydrophobicContact CB-CD1 4.46Å
307S89.1Confident89.1Confident72 Ų7268.2 Ų68.250%0.50336%0.361SS..EExtended strand (participates in β ladder)trans-119.1122.2173-62.60000108.6T274 T275T274-S307 WeakPolarHBondContact O-CA 3.4Å; T275-S307 WeakPolarHBondContact CG2-OG 3.43Å; T275-S307 PolarHBondContact OG1-OG 2.63Å
308F91Very high89.3Confident40 Ų4071.4 Ų71.418%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-148.2159.6-178.563.7-86.3000111.2T274 L276 I284 V302 K306 L310T274-F308 WeakPolarHBondContact CA-O 3.3Å; T274-F308 WeakPolarHBondContact CB-O 3.38Å; T274-F308 HydrophobicContact CG2-CZ 4.18Å; T274-F308 PolarHBondContact N-O 3.32Å; T274-F308 PolarHBondContact O-N 2.95Å; L276-F308 HydrophobicContact CD1-CE1 3.84Å; L276-F308 HydrophobicContact CG-CE1 4.23Å; I284-F308 HydrophobicContact CD1-CD2 4.47Å; I284-F308 HydrophobicContact CD1-CE2 3.55Å; I284-F308 HydrophobicContact CD1-CZ 3.82Å; I284-F308 HydrophobicContact CG1-CE2 4.43Å; V302-F308 HydrophobicContact CB-CE1 4.3Å; V302-F308 HydrophobicContact CB-CZ 4.44Å; V302-F308 HydrophobicContact CG1-CD1 4.37Å; V302-F308 HydrophobicContact CG1-CE1 3.79Å; V302-F308 HydrophobicContact CG1-CZ 4.4Å; V302-F308 HydrophobicContact CG2-CZ 4.49Å; K306-F308 HydrophobicContact CB-CD1 4.46Å; F308-L310 HydrophobicContact CE2-CD2 4.07Å
309F92.2Very high89.4Confident30 Ų3067.4 Ų67.413%0.13235%0.345CS..PPolyproline II helixtrans-96.4136.9172.8-61-80.2000109.8E223 A226 L250 T252 V271 I273 Q311E223-F309 WeakPolarHBondContact O-CZ 3.39Å; A226-F309 HydrophobicContact CB-CD1 3.6Å; A226-F309 HydrophobicContact CB-CD2 4.23Å; A226-F309 HydrophobicContact CB-CE1 3.73Å; A226-F309 HydrophobicContact CB-CE2 4.35Å; A226-F309 HydrophobicContact CB-CG 3.86Å; A226-F309 HydrophobicContact CB-CZ 4.11Å; L250-F309 HydrophobicContact CD1-CB 3.69Å; T252-F309 HydrophobicContact CG2-CD2 3.86Å; T252-F309 HydrophobicContact CG2-CE2 3.94Å; V271-F309 HydrophobicContact CG1-CD1 4.47Å; I273-F309 HydrophobicContact CB-CD1 4.11Å; I273-F309 HydrophobicContact CB-CE1 3.6Å; I273-F309 HydrophobicContact CB-CZ 3.95Å; I273-F309 HydrophobicContact CD1-CE2 4.23Å; I273-F309 HydrophobicContact CD1-CZ 4.07Å; I273-F309 HydrophobicContact CG1-CD1 4.43Å; I273-F309 HydrophobicContact CG1-CE1 4.15Å; I273-F309 HydrophobicContact CG1-CZ 4.19Å; F309-Q311 PolarHBondContact O-N 3.18Å
310L91.9Very high89.4Confident37 Ų3767.3 Ų67.319%0.19435%0.348CS..PPolyproline II helixtrans-65.8122.1171-69.3171000109L250 I284 F308 E314 L316L250-L310 WeakPolarHBondContact CD1-O 3.28Å; I284-L310 HydrophobicContact CG1-CD2 4.46Å; F308-L310 HydrophobicContact CE2-CD2 4.07Å; L310-E314 HydrophobicContact CB-CB 4.44Å; L310-E314 HydrophobicContact CD2-CB 4.28Å; L310-L316 HydrophobicContact CD1-CD1 4.38Å; L310-L316 HydrophobicContact CD1-CG 4.07Å; L310-L316 HydrophobicContact CD2-CD2 3.88Å; L310-L316 HydrophobicContact CD2-CG 4.2Å
311Q91.4Very high89.5Confident75 Ų7564.4 Ų64.435%0.3534%0.338SS..PPolyproline II helixtrans-69159.6178.4-61.9-62.9-44.700110.9V288 F309 G313 E314V288-Q311 HydrophobicContact CB-CB 4.08Å; V288-Q311 HydrophobicContact CB-CG 4.21Å; V288-Q311 HydrophobicContact CG2-CB 3.46Å; V288-Q311 VanDerWaalsContact CG2-CB 3.46Å; V288-Q311 HydrophobicContact CG2-CG 4.14Å; F309-Q311 PolarHBondContact O-N 3.18Å; Q311-G313 PolarHBondContact O-N 3.47Å; Q311-G313 VanDerWaalsContact O-N 3.15Å; Q311-E314 HydrophobicContact CB-CG 3.97Å; Q311-E314 PolarHBondContact N-OE2 2.74Å; Q311-E314 WeakPolarHBondContact O-CB 3.4Å; Q311-E314 PolarHBondContact O-N 3.36Å
312P89.2Confident89.4Confident19 Ų1968 Ų6812%0.12336%0.356CS..THydrogen-bonded Turntrans-54.5122.5-179.9-27.837.8000112.1E248 L250 N294 E314E248-P312 HydrophobicContact CB-CB 3.8Å; E248-P312 HydrophobicContact CB-CG 4.11Å; L250-P312 HydrophobicContact CG-CG 4.39Å; N294-P312 PolarHBondContact ND2-O 3.26Å; N294-P312 PolarHBondContact OD1-O 2.84Å; P312-E314 VanDerWaalsContact C-N 3.34Å
313G87.3Confident89.3Confident43 Ų4367.7 Ų67.744%0.44335%0.354SS..THydrogen-bonded Turntrans82.4-2.5-177.400000115.8N294 Q311N294-G313 VanDerWaalsContact ND2-CA 3.35Å; N294-G313 WeakPolarHBondContact ND2-CA 3.31Å; Q311-G313 PolarHBondContact O-N 3.47Å; Q311-G313 VanDerWaalsContact O-N 3.15Å
314E92.1Very high89.3Confident12 Ų1264 Ų646%0.05634%0.337CS..  trans-73.9141.3165.1-68.8-174.8159.300110.2I284 P287 V288 R300 L310 Q311 P312I284-E314 HydrophobicContact CG2-CB 3.81Å; I284-E314 HydrophobicContact CG2-CG 3.87Å; P287-E314 WeakPolarHBondContact CA-OE1 3.49Å; V288-E314 HydrophobicContact CG2-CG 4.13Å; V288-E314 PolarHBondContact N-OE1 2.83Å; R300-E314 IonicContact CZ-OE1 3.62Å; R300-E314 IonicContact NH1-OE1 3.86Å; R300-E314 IonicContact NH2-OE1 2.76Å; R300-E314 PolarHBondContact NH2-OE1 3.22Å; R300-E314 IonicContact NH2-OE2 3.66Å; L310-E314 HydrophobicContact CB-CB 4.44Å; L310-E314 HydrophobicContact CD2-CB 4.28Å; Q311-E314 HydrophobicContact CB-CG 3.97Å; Q311-E314 PolarHBondContact N-OE2 2.74Å; Q311-E314 WeakPolarHBondContact O-CB 3.4Å; Q311-E314 PolarHBondContact O-N 3.36Å; P312-E314 VanDerWaalsContact C-N 3.34Å
315Q89.4Confident89.4Confident132 Ų13267.4 Ų67.462%0.61735%0.353SS*.EExtended strand (participates in β ladder)trans-136152.5175.8-64.2-174.7100110.9I284 L285I284-Q315 WeakPolarHBondContact CA-O 3.41Å; L285-Q315 PolarHBondContact N-O 3.03Å; L285-Q315 PolarHBondContact O-N 3.45Å
316L90.1Very high89.5Confident48 Ų4860.3 Ų60.325%0.25132%0.321SS..EExtended strand (participates in β ladder)trans-88.8124.8173.4-61.2178.3000109.5T274 C282 I284 L310T274-L316 HydrophobicContact CG2-CD1 4.36Å; C282-L316 HydrophobicContact CB-CD2 3.99Å; I284-L316 HydrophobicContact CG1-CD2 4.11Å; L310-L316 HydrophobicContact CD1-CD1 4.38Å; L310-L316 HydrophobicContact CD1-CG 4.07Å; L310-L316 HydrophobicContact CD2-CD2 3.88Å; L310-L316 HydrophobicContact CD2-CG 4.2Å
317E87.1Confident89.5Confident84 Ų8457.3 Ų57.339%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-62.3-47.5-176.6-172.2173.5-161.500112.6V283 L285 K299V283-E317 HydrophobicContact CB-CB 4.34Å; V283-E317 PolarHBondContact O-N 3.46Å; L285-E317 HydrophobicContact CD1-CB 4.13Å; L285-E317 HydrophobicContact CD1-CG 4.36Å; L285-E317 HydrophobicContact CD2-CB 3.99Å; L285-E317 HydrophobicContact CD2-CG 4.25Å; L285-E317 HydrophobicContact CG-CB 3.99Å; K299-E317 IonicContact NZ-OE1 3.95Å; K299-E317 PolarHBondContact NZ-OE1 3.31Å; K299-E317 IonicContact NZ-OE2 3.56Å; K299-E317 PolarHBondContact NZ-OE2 3.37Å
318Q87.2Confident89.5Confident137 Ų13761.2 Ų61.264%0.6432%0.324SS*.EExtended strand (participates in β ladder)trans-134.527.6-179.5-65.8178.8-20.200111.4Q321Q318-Q321 VanDerWaalsContact OE1-NE2 3.13Å
319G89.2Confident89.4Confident27 Ų2765.1 Ų65.128%0.27834%0.343SS..EExtended strand (participates in β ladder)trans69.3-153.6-17600000113.8C282C282-G319 WeakPolarHBondContact CB-O 3.5Å
320I90Very high89.4Confident79 Ų7966.6 Ų66.641%0.40535%0.35SS..EExtended strand (participates in β ladder)trans-86.2125.6175-59.1170.3000107.9T274 L276 N280T274-I320 HydrophobicContact CG2-CD1 4.19Å; T274-I320 HydrophobicContact CG2-CG1 4.41Å; L276-I320 HydrophobicContact CD2-CB 4.4Å; L276-I320 HydrophobicContact CD2-CG1 4.06Å; L276-I320 HydrophobicContact CD2-CG2 3.69Å; N280-I320 HydrophobicContact CB-CG2 3.86Å; N280-I320 WeakPolarHBondContact ND2-CG2 3.5Å
321Q89.5Confident89.3Confident33 Ų3364.9 Ų64.915%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-115155.1-179.1-64.1-179.649.200110.6N280 Y281 Q318N280-Q321 CarbonylContact C-O 3.55Å; N280-Q321 VanDerWaalsContact CA-O 3.26Å; N280-Q321 WeakPolarHBondContact CA-O 3.29Å; Y281-Q321 HydrophobicContact CD1-CB 4.04Å; Y281-Q321 HydrophobicContact CE1-CB 3.61Å; Y281-Q321 HydrophobicContact CE2-CB 4.39Å; Y281-Q321 PolarHBondContact N-O 3.03Å; Y281-Q321 PolarHBondContact O-N 3.06Å; Y281-Q321 VanDerWaalsContact O-O 3.07Å; Y281-Q321 PolarHBondContact OH-OE1 3.45Å; Q318-Q321 VanDerWaalsContact OE1-NE2 3.13Å
322D88.8Confident89.3Confident118 Ų11861.4 Ų61.463%0.63133%0.325SS*.EExtended strand (participates in β ladder)trans-84.4140.3174.4-61.5-33.3000110.2H279 Y281H279-D322 CarbonylContact O-C 3.57Å; H279-D322 WeakPolarHBondContact O-CA 3.26Å; Y281-D322 VanDerWaalsContact CE1-O 3.25Å; Y281-D322 WeakPolarHBondContact CE1-O 3.41Å
323V89.2Confident89.4Confident12 Ų1260.9 Ų60.97%0.07332%0.321CS..  trans-62138.2173.2175.20000108.5H279 Y281 V325 E364 Y365 V366H279-V323 WeakPolarHBondContact O-CB 3.28Å; H279-V323 VanDerWaalsContact O-CG2 3.31Å; H279-V323 WeakPolarHBondContact O-CG2 3.35Å; H279-V323 PolarHBondContact O-N 3.3Å; Y281-V323 HydrophobicContact CD1-CG2 4.21Å; V323-V325 PolarHBondContact O-N 3.27Å; V323-E364 HydrophobicContact CG1-CB 3.98Å; V323-Y365 WeakPolarHBondContact CG1-O 3.27Å; V323-V366 HydrophobicContact CB-CG2 4.3Å; V323-V366 HydrophobicContact CG1-CG2 3.75Å; V323-V366 HydrophobicContact CG2-CG2 3.74Å
324Y88.4Confident89.6Confident51 Ų5158.8 Ų58.820%0.230%0.3CS..EExtended strand (participates in β ladder)trans-72.6104.5178-65.6-91.5000109.6Y281 L326 L332 E364 Y365 P367 V373 E376Y281-Y324 HydrophobicContact CE1-CE2 4.37Å; Y324-L326 PolarHBondContact O-N 3.14Å; Y324-L332 HydrophobicContact CD1-CD1 3.94Å; Y324-L332 HydrophobicContact CD1-CD2 3.76Å; Y324-L332 HydrophobicContact CD1-CG 4.47Å; Y324-L332 HydrophobicContact CD2-CD1 4.12Å; Y324-L332 HydrophobicContact CE1-CD2 4.13Å; Y324-L332 HydrophobicContact CG-CD1 3.64Å; Y324-L332 HydrophobicContact CG-CD2 4.34Å; Y324-E364 WeakPolarHBondContact O-CA 3.37Å; Y324-Y365 PolarHBondContact N-O 2.79Å; Y324-Y365 PolarHBondContact O-N 3.32Å; Y324-P367 HydrophobicContact CD2-CG 4.05Å; Y324-P367 HydrophobicContact CE2-CG 3.65Å; Y324-V373 HydrophobicContact CE1-CG1 4.38Å; Y324-V373 HydrophobicContact CE2-CG2 3.96Å; Y324-E376 WeakPolarHBondContact CE1-OE1 3.29Å
325V88.6Confident89.5Confident91 Ų9162.5 Ų62.555%0.55231%0.314SS*.EExtended strand (participates in β ladder)trans-88.2102.5171.9-175.70000108V323 E364V323-V325 PolarHBondContact O-N 3.27Å; V325-E364 HydrophobicContact CG2-CG 4.44Å
326L89.4Confident89.5Confident13 Ų1356.3 Ų56.37%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-91128.7178.9-58.4173.4000109.9Y324 Q330 L332 I359 P362 L363Y324-L326 PolarHBondContact O-N 3.14Å; L326-Q330 HydrophobicContact CB-CB 4.36Å; L326-Q330 HydrophobicContact CD2-CB 4.07Å; L326-L332 HydrophobicContact CD1-CD1 4.09Å; L326-L332 HydrophobicContact CD1-CG 3.96Å; L326-L332 HydrophobicContact CD2-CD1 4.22Å; L326-L332 HydrophobicContact CD2-CD2 4.06Å; L326-L332 HydrophobicContact CD2-CG 3.76Å; L326-L332 HydrophobicContact CG-CD1 4.44Å; L326-L332 HydrophobicContact CG-CG 4.34Å; L326-I359 HydrophobicContact CD1-CG2 4.22Å; L326-P362 CarbonylContact O-C 3.45Å; L326-P362 WeakPolarHBondContact O-CA 3.36Å; L326-L363 HydrophobicContact CD1-CD1 4.05Å; L326-L363 HydrophobicContact CD1-CG 4.38Å; L326-L363 PolarHBondContact N-O 3.28Å; L326-L363 PolarHBondContact O-N 2.97Å; L326-L363 VanDerWaalsContact O-N 3.12Å
327S89.4Confident89.3Confident51 Ų5158 Ų5836%0.35729%0.294SS..  trans-77.5169.7164.462.30000111.9Q329 Q330 G361S327-Q329 PolarHBondContact O-N 3.33Å; S327-Q330 PolarHBondContact O-N 2.87Å; S327-Q330 VanDerWaalsContact OG-CD 3.25Å; S327-Q330 WeakPolarHBondContact OG-CG 3.46Å; S327-Q330 PolarHBondContact OG-OE1 3.46Å; S327-G361 VanDerWaalsContact O-CA 3.25Å; S327-G361 WeakPolarHBondContact O-CA 3.29Å
328E87.6Confident89.2Confident153 Ų15358.9 Ų58.972%0.71530%0.298SS*.THydrogen-bonded Turntrans-53.3-24.2174.7-60.6-173162.900113.8P362E328-P362 HydrophobicContact CG-CB 4.06Å; E328-P362 HydrophobicContact CG-CG 3.8Å
329Q89.8Confident89.2Confident122 Ų12256.8 Ų56.857%0.5730%0.296SS*.THydrogen-bonded Turntrans-101.14.5-177.8-63.7-179.6-1.900113.1S327 A379S327-Q329 PolarHBondContact O-N 3.33Å; Q329-A379 HydrophobicContact CB-CB 3.99Å; Q329-A379 HydrophobicContact CG-CB 4.48Å; Q329-A379 WeakPolarHBondContact O-CB 3.44Å; Q329-A379 PolarHBondContact O-N 3.1Å
330Q91.2Very high88.8Confident62 Ų6256.4 Ų56.429%0.2929%0.288SS..EExtended strand (participates in β ladder)trans-118.3153.1-179.6-74.5167.4-33.100110.6L326 S327 G361 R377 Q378L326-Q330 HydrophobicContact CB-CB 4.36Å; L326-Q330 HydrophobicContact CD2-CB 4.07Å; S327-Q330 PolarHBondContact O-N 2.87Å; S327-Q330 VanDerWaalsContact OG-CD 3.25Å; S327-Q330 WeakPolarHBondContact OG-CG 3.46Å; S327-Q330 PolarHBondContact OG-OE1 3.46Å; Q330-G361 PolarHBondContact O-N 3.32Å; Q330-R377 CarbonylContact C-O 3.6Å; Q330-R377 WeakPolarHBondContact CA-O 3.5Å; Q330-Q378 HydrophobicContact CG-CG 4.33Å
331G90.4Very high88.2Confident1 Ų159.3 Ų59.31%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-156.7169.6168.100000113I359 R377 M407G331-I359 CarbonylContact C-O 3.56Å; G331-I359 WeakPolarHBondContact CA-O 3.3Å; G331-R377 PolarHBondContact N-O 3.32Å; G331-R377 PolarHBondContact O-N 2.84Å; G331-M407 VanDerWaalsContact CA-CE 3.46Å
332L91.5Very high87.2Confident1 Ų160.2 Ų60.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-115.5127.8179.7-62.3171000109.3Y324 L326 L334 L358 I359 Y365 V373 E376Y324-L332 HydrophobicContact CD1-CD1 3.94Å; Y324-L332 HydrophobicContact CD1-CD2 3.76Å; Y324-L332 HydrophobicContact CD1-CG 4.47Å; Y324-L332 HydrophobicContact CD2-CD1 4.12Å; Y324-L332 HydrophobicContact CE1-CD2 4.13Å; Y324-L332 HydrophobicContact CG-CD1 3.64Å; Y324-L332 HydrophobicContact CG-CD2 4.34Å; L326-L332 HydrophobicContact CD1-CD1 4.09Å; L326-L332 HydrophobicContact CD1-CG 3.96Å; L326-L332 HydrophobicContact CD2-CD1 4.22Å; L326-L332 HydrophobicContact CD2-CD2 4.06Å; L326-L332 HydrophobicContact CD2-CG 3.76Å; L326-L332 HydrophobicContact CG-CD1 4.44Å; L326-L332 HydrophobicContact CG-CG 4.34Å; L332-L334 HydrophobicContact CB-CD2 3.88Å; L332-L334 HydrophobicContact CB-CG 4.29Å; L332-L358 WeakPolarHBondContact O-CA 3.38Å; L332-L358 WeakPolarHBondContact O-CD1 3.45Å; L332-I359 PolarHBondContact N-O 2.85Å; L332-I359 PolarHBondContact O-N 3.45Å; L332-Y365 HydrophobicContact CD1-CD1 3.69Å; L332-Y365 HydrophobicContact CD1-CG 4.2Å; L332-V373 HydrophobicContact CD2-CG1 3.92Å; L332-E376 HydrophobicContact CD2-CB 4.42Å; L332-E376 HydrophobicContact CD2-CG 3.77Å
333L91.5Very high86Confident8 Ų856.6 Ų56.64%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-81.9114.5165.5-175.967.7000108.1H356 V374 E375 Q410L333-H356 HydrophobicContact CD1-CB 4.27Å; L333-V374 HydrophobicContact CD2-CB 4.32Å; L333-V374 HydrophobicContact CD2-CG1 4.31Å; L333-V374 HydrophobicContact CG-CB 4.37Å; L333-V374 PolarHBondContact O-N 2.85Å; L333-E375 HydrophobicContact CB-CB 4.23Å; L333-E375 HydrophobicContact CD2-CB 4.38Å; L333-E375 PolarHBondContact N-O 2.89Å; L333-E375 PolarHBondContact O-N 3.18Å; L333-Q410 HydrophobicContact CD1-CB 3.94Å
334L90.9Very high84.3Confident0 Ų064.7 Ų64.70%033%0.331CS..EExtended strand (participates in β ladder)trans-106150.2-177.5-58.4-179.2000110.5L332 H356 W357 I359 Y365 V371 E372 V373L332-L334 HydrophobicContact CB-CD2 3.88Å; L332-L334 HydrophobicContact CB-CG 4.29Å; L334-H356 WeakPolarHBondContact O-CA 3.32Å; L334-W357 HydrophobicContact CB-CD2 3.99Å; L334-W357 HydrophobicContact CB-CE3 4.24Å; L334-W357 HydrophobicContact CB-CH2 3.93Å; L334-W357 HydrophobicContact CB-CZ2 3.68Å; L334-W357 HydrophobicContact CB-CZ3 4.22Å; L334-W357 HydrophobicContact CD1-CZ2 3.72Å; L334-W357 HydrophobicContact CG-CZ2 4.38Å; L334-W357 PolarHBondContact N-O 3.33Å; L334-W357 PolarHBondContact O-N 3.46Å; L334-W357 VanDerWaalsContact O-N 3.11Å; L334-I359 HydrophobicContact CD1-CD1 3.3Å; L334-I359 HydrophobicContact CD1-CG1 3.7Å; L334-Y365 HydrophobicContact CD1-CD1 4.45Å; L334-Y365 HydrophobicContact CD1-CE1 3.57Å; L334-Y365 HydrophobicContact CD1-CE2 4.2Å; L334-Y365 VanDerWaalsContact CD1-CZ 3.43Å; L334-Y365 VanDerWaalsContact CD1-OH 3.3Å; L334-Y365 WeakPolarHBondContact CD1-OH 3.27Å; L334-Y365 HydrophobicContact CD2-CD1 4.46Å; L334-Y365 HydrophobicContact CD2-CE1 3.82Å; L334-Y365 HydrophobicContact CG-CE1 4.37Å; L334-V371 HydrophobicContact CB-CG1 3.83Å; L334-V371 HydrophobicContact CD1-CG1 4.05Å; L334-V371 HydrophobicContact CD2-CG1 4.07Å; L334-V371 HydrophobicContact CG-CG1 4.21Å; L334-E372 CarbonylContact C-O 3.55Å; L334-E372 WeakPolarHBondContact CA-O 3.19Å; L334-V373 HydrophobicContact CD2-CB 4.29Å; L334-V373 HydrophobicContact CD2-CG2 3.74Å
335R90.6Very high82.7Confident90 Ų9069.5 Ų69.534%0.3436%0.361SS..EExtended strand (participates in β ladder)trans-125.3129.3172.8177.2172.875.5-179.74.2110.2L337 D355 E372 V374R335-L337 PolarHBondContact O-N 3.05Å; R335-D355 WeakPolarHBondContact CA-O 3.42Å; R335-E372 IonicContact CZ-OE2 3.08Å; R335-E372 PolarHBondContact N-O 3.41Å; R335-E372 IonicContact NE-OE2 3.71Å; R335-E372 PolarHBondContact NE-OE2 3.44Å; R335-E372 VanDerWaalsContact NH2-CD 3.31Å; R335-E372 IonicContact NH2-OE1 2.95Å; R335-E372 PolarHBondContact NH2-OE1 3.04Å; R335-E372 IonicContact NH2-OE2 3.89Å; R335-E372 PolarHBondContact NH2-OE2 3.29Å; R335-E372 PolarHBondContact O-N 3.46Å; R335-V374 HydrophobicContact CB-CG2 3.4Å
336A88.6Confident81.2Confident2 Ų274.2 Ų74.22%0.01738%0.377CS..EExtended strand (participates in β ladder)trans-77.3120.217500000109.7L340 H351 Q352 A353 G354 D355 W357A336-L340 HydrophobicContact CB-CD2 3.88Å; A336-H351 HydrophobicContact CB-CB 4.14Å; A336-Q352 VanDerWaalsContact CB-O 3.3Å; A336-Q352 WeakPolarHBondContact CB-O 3.22Å; A336-A353 CarbonylContact O-C 3.56Å; A336-G354 PolarHBondContact O-N 3.39Å; A336-D355 PolarHBondContact N-O 3.45Å; A336-W357 HydrophobicContact CB-CH2 4.12Å; A336-W357 HydrophobicContact CB-CZ3 3.71Å
337L86.5Confident79.7Confident82 Ų8281.4 Ų81.443%0.42941%0.41SS..SBendtrans-81.7-28.8171.8-64.3175.9000111.7R335 K370 E372R335-L337 PolarHBondContact O-N 3.05Å; L337-K370 WeakPolarHBondContact CB-O 3.38Å; L337-K370 PolarHBondContact N-O 3.35Å; L337-E372 HydrophobicContact CD1-CB 4.28Å; L337-E372 HydrophobicContact CD2-CB 4.39Å; L337-E372 WeakPolarHBondContact CD2-OE2 3.42Å; L337-E372 HydrophobicContact CG-CB 4.21Å
338Q85.3Confident78.5Confident104 Ų10485.2 Ų85.249%0.48642%0.42SS..SBendtrans-137.2155.8-179.3-66.4-178.76.100109.4L340 K370Q338-L340 PolarHBondContact O-N 3.35Å; Q338-K370 HydrophobicContact CB-CB 4.2Å; Q338-K370 HydrophobicContact CB-CD 4.21Å; Q338-K370 HydrophobicContact CB-CG 4.14Å
339P86.2Confident78.1Confident93 Ų9381.8 Ų81.860%0.60441%0.41SS*.  trans-57.7127.1173.524.1-33.2000110.6H351P339-H351 VanDerWaalsContact CA-O 3.31Å; P339-H351 WeakPolarHBondContact CA-O 3.33Å
340L80.7Confident77.7Confident18 Ų1879.7 Ų79.79%0.09441%0.408CS..EExtended strand (participates in β ladder)trans-143150.5-177.968.996.5000110.4A336 Q338 E342 H351 W357 K370 V371A336-L340 HydrophobicContact CB-CD2 3.88Å; Q338-L340 PolarHBondContact O-N 3.35Å; L340-E342 HydrophobicContact CD1-CB 3.72Å; L340-H351 HydrophobicContact CD1-CB 4.34Å; L340-H351 HydrophobicContact CG-CB 4.2Å; L340-H351 PolarHBondContact N-O 3.1Å; L340-H351 PolarHBondContact O-N 3.43Å; L340-W357 HydrophobicContact CD1-CH2 4.49Å; L340-W357 HydrophobicContact CD2-CH2 4.16Å; L340-K370 HydrophobicContact CB-CD 4.25Å; L340-K370 HydrophobicContact CD2-CB 4.06Å; L340-V371 HydrophobicContact CD2-CG2 3.43Å; L340-V371 VanDerWaalsContact CD2-CG2 3.43Å
341E78.3Confident77.4Confident141 Ų14177.7 Ų77.766%0.65940%0.399SS*.EExtended strand (participates in β ladder)trans-109.1117.9171.1-64.6178.517700107V349E341-V349 WeakPolarHBondContact CA-O 3.41Å
342E68.8Low77.2Confident52 Ų5284.4 Ų84.424%0.24343%0.43CS..EExtended strand (participates in β ladder)trans-118.9136.8178.2-161.7173.2-141.800109.2L340 V349 W357 Y365L340-E342 HydrophobicContact CD1-CB 3.72Å; E342-V349 PolarHBondContact N-O 3.17Å; E342-V349 PolarHBondContact O-N 3.23Å; E342-W357 VanDerWaalsContact OE2-CE2 3.24Å; E342-W357 WeakPolarHBondContact OE2-CZ2 3.3Å; E342-W357 PolarHBondContact OE2-NE1 2.88Å; E342-Y365 WeakPolarHBondContact OE1-CE2 3.27Å; E342-Y365 PolarHBondContact OE1-OH 3.38Å
343G62.3Low76.9Confident42 Ų4287.4 Ų87.443%0.43346%0.455SS..  trans147.6145-178.500000112.8
344E54.9Low76.5Confident181 Ų18188.9 Ų88.985%0.84647%0.472SS*.SBendtrans-86131.4173-70.5-176.216500110.2E346 E347E344-E346 PolarHBondContact O-N 3.46Å; E344-E347 PolarHBondContact O-N 3.04Å
345D54.7Low76.4Confident153 Ų15391.9 Ų91.982%0.81849%0.488SS*.THydrogen-bonded Turntrans47.4-72.9175.1-61.6-28.9000117.8
346E56.2Low76.3Confident189 Ų18991.1 Ų91.188%0.88349%0.488SS*.THydrogen-bonded Turntrans-108.1-20.1-165.8-62.2-16815900115.1E344E344-E346 PolarHBondContact O-N 3.46Å
347E58.7Low76.4Confident164 Ų16492 Ų9277%0.76649%0.491SS*.  trans-114.859.9-178.7-67.4-172.3171.300112.4E344 V349E344-E347 PolarHBondContact O-N 3.04Å; E347-V349 PolarHBondContact O-N 3.17Å
348K64.8Low76.5Confident132 Ų13289.4 Ų89.457%0.57448%0.478SS*.  trans-73.8109174-67.2-177.6-177179.20110.6
349V77.9Confident76.7Confident81 Ų8185.6 Ų85.649%0.49146%0.46SS..EExtended strand (participates in β ladder)trans-89.9120.6173.3-174.80000108.3E341 E342 E347E341-V349 WeakPolarHBondContact CA-O 3.41Å; E342-V349 PolarHBondContact N-O 3.17Å; E342-V349 PolarHBondContact O-N 3.23Å; E347-V349 PolarHBondContact O-N 3.17Å
350S82.5Confident76.9Confident78 Ų7888 Ų8855%0.54546%0.457SS..EExtended strand (participates in β ladder)trans-84.3116174.1-171.80000109.2
351H83.7Confident77.2Confident20 Ų2087.8 Ų87.89%0.09346%0.46CS..EExtended strand (participates in β ladder)trans-99.5128.7175.2-62.7-74.7000109.6A336 P339 L340 D355 W357A336-H351 HydrophobicContact CB-CB 4.14Å; P339-H351 VanDerWaalsContact CA-O 3.31Å; P339-H351 WeakPolarHBondContact CA-O 3.33Å; L340-H351 HydrophobicContact CD1-CB 4.34Å; L340-H351 HydrophobicContact CG-CB 4.2Å; L340-H351 PolarHBondContact N-O 3.1Å; L340-H351 PolarHBondContact O-N 3.43Å; H351-D355 HydrophobicContact CB-CB 4.28Å; H351-W357 HydrophobicContact CB-CZ3 4.29Å; H351-W357 AromaticContact CE1-CD2 3.68Å; H351-W357 AromaticContact CE1-CE3 3.89Å; H351-W357 AromaticContact CE1-CG 3.67Å; H351-W357 AromaticContact CG-CE3 3.96Å; H351-W357 AromaticContact ND1-CD2 3.97Å; H351-W357 AromaticContact ND1-CE3 3.69Å; H351-W357 AromaticContact NE2-CD2 3.89Å
352Q86.6Confident77.8Confident141 Ų14185.5 Ų85.566%0.65946%0.457SS*.PPolyproline II helixtrans-81.2160.2170.9-60.5-170.42.800110.5A336 G354 D355A336-Q352 VanDerWaalsContact CB-O 3.3Å; A336-Q352 WeakPolarHBondContact CB-O 3.22Å; Q352-G354 PolarHBondContact O-N 3.12Å; Q352-D355 PolarHBondContact N-OD2 3.43Å; Q352-D355 WeakPolarHBondContact O-CB 3.36Å; Q352-D355 PolarHBondContact O-N 3.19Å
353A84.8Confident78.7Confident64 Ų6486.1 Ų86.153%0.52946%0.462SS..THydrogen-bonded Turntrans-59.7125.2175.200000110.4A336A336-A353 CarbonylContact O-C 3.56Å
354G84.5Confident79.9Confident39 Ų3989.5 Ų89.540%0.40247%0.466SS..THydrogen-bonded Turntrans96.4-9.2-175.900000114.7A336 Q352 H356A336-G354 PolarHBondContact O-N 3.39Å; Q352-G354 PolarHBondContact O-N 3.12Å; G354-H356 PolarHBondContact O-CE1 2.93Å; G354-H356 VanDerWaalsContact O-CE1 3.22Å; G354-H356 PolarHBondContact O-ND1 3.35Å
355D87.7Confident81.5Confident63 Ų6381.7 Ų81.734%0.33743%0.429SS..  trans-66.9140.3176.9-72.9-12.3000110.8R335 A336 H351 Q352R335-D355 WeakPolarHBondContact CA-O 3.42Å; A336-D355 PolarHBondContact N-O 3.45Å; H351-D355 HydrophobicContact CB-CB 4.28Å; Q352-D355 PolarHBondContact N-OD2 3.43Å; Q352-D355 WeakPolarHBondContact O-CB 3.36Å; Q352-D355 PolarHBondContact O-N 3.19Å
356H88.7Confident83.1Confident74 Ų7475.7 Ų75.734%0.34340%0.398SS..EExtended strand (participates in β ladder)trans-111.4135.6176.3-61.768.9000110.1L333 L334 G354 Q410L333-H356 HydrophobicContact CD1-CB 4.27Å; L334-H356 WeakPolarHBondContact O-CA 3.32Å; G354-H356 PolarHBondContact O-CE1 2.93Å; G354-H356 VanDerWaalsContact O-CE1 3.22Å; G354-H356 PolarHBondContact O-ND1 3.35Å; H356-Q410 PolarHBondContact O-OE1 2.93Å
357W89.7Confident84.7Confident20 Ų2067.2 Ų67.28%0.07636%0.359CS..EExtended strand (participates in β ladder)trans-142.2162172.471.3108.5000112L334 A336 L340 E342 H351 V371 Q410L334-W357 HydrophobicContact CB-CD2 3.99Å; L334-W357 HydrophobicContact CB-CE3 4.24Å; L334-W357 HydrophobicContact CB-CH2 3.93Å; L334-W357 HydrophobicContact CB-CZ2 3.68Å; L334-W357 HydrophobicContact CB-CZ3 4.22Å; L334-W357 HydrophobicContact CD1-CZ2 3.72Å; L334-W357 HydrophobicContact CG-CZ2 4.38Å; L334-W357 PolarHBondContact N-O 3.33Å; L334-W357 PolarHBondContact O-N 3.46Å; L334-W357 VanDerWaalsContact O-N 3.11Å; A336-W357 HydrophobicContact CB-CH2 4.12Å; A336-W357 HydrophobicContact CB-CZ3 3.71Å; L340-W357 HydrophobicContact CD1-CH2 4.49Å; L340-W357 HydrophobicContact CD2-CH2 4.16Å; E342-W357 VanDerWaalsContact OE2-CE2 3.24Å; E342-W357 WeakPolarHBondContact OE2-CZ2 3.3Å; E342-W357 PolarHBondContact OE2-NE1 2.88Å; H351-W357 HydrophobicContact CB-CZ3 4.29Å; H351-W357 AromaticContact CE1-CD2 3.68Å; H351-W357 AromaticContact CE1-CE3 3.89Å; H351-W357 AromaticContact CE1-CG 3.67Å; H351-W357 AromaticContact CG-CE3 3.96Å; H351-W357 AromaticContact ND1-CD2 3.97Å; H351-W357 AromaticContact ND1-CE3 3.69Å; H351-W357 AromaticContact NE2-CD2 3.89Å; W357-V371 HydrophobicContact CH2-CG1 3.81Å; W357-V371 HydrophobicContact CH2-CG2 3.95Å; W357-V371 HydrophobicContact CZ2-CG1 3.95Å; W357-V371 HydrophobicContact CZ2-CG2 4.17Å; W357-Q410 VanDerWaalsContact CA-OE1 3.26Å
358L90.4Very high86Confident29 Ų2962.3 Ų62.315%0.15234%0.343CS..EExtended strand (participates in β ladder)trans-114.7117.9-175.6-177.964.9000109.9L332 R377 M407 L408 Q410L332-L358 WeakPolarHBondContact O-CA 3.38Å; L332-L358 WeakPolarHBondContact O-CD1 3.45Å; L358-R377 HydrophobicContact CD1-CB 4.35Å; L358-R377 HydrophobicContact CD1-CG 4.45Å; L358-M407 HydrophobicContact CD1-CE 3.74Å; L358-M407 HydrophobicContact CD2-CE 3.72Å; L358-M407 HydrophobicContact CG-CE 3.82Å; L358-L408 WeakPolarHBondContact CD2-O 2.94Å; L358-Q410 HydrophobicContact CB-CB 4.28Å
359I89.6Confident87Confident24 Ų2457.6 Ų57.612%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-91.3130.9169.4-63.7-170.7000108.5L326 G331 L332 L334 L363 Y365L326-I359 HydrophobicContact CD1-CG2 4.22Å; G331-I359 CarbonylContact C-O 3.56Å; G331-I359 WeakPolarHBondContact CA-O 3.3Å; L332-I359 PolarHBondContact N-O 2.85Å; L332-I359 PolarHBondContact O-N 3.45Å; L334-I359 HydrophobicContact CD1-CD1 3.3Å; L334-I359 HydrophobicContact CD1-CG1 3.7Å; I359-L363 HydrophobicContact CG2-CD1 3.83Å; I359-L363 HydrophobicContact CG2-CD2 3.59Å; I359-L363 HydrophobicContact CG2-CG 4.16Å; I359-Y365 HydrophobicContact CD1-CD2 3.62Å; I359-Y365 HydrophobicContact CD1-CE1 4.47Å; I359-Y365 HydrophobicContact CD1-CE2 3.27Å; I359-Y365 HydrophobicContact CD1-CG 4.36Å
360R88.8Confident87.3Confident142 Ų14257.9 Ų57.954%0.53632%0.323SS..EExtended strand (participates in β ladder)trans-106.6141.7178.4-59.3-172.4174.5154.5-2.2110L363 M407R360-L363 WeakPolarHBondContact O-CD2 3.42Å; R360-M407 HydrophobicContact CB-CE 4.46Å; R360-M407 HydrophobicContact CG-CE 3.77Å
361G87.5Confident87.6Confident14 Ų1454.6 Ų54.614%0.14430%0.3CS..SBendtrans-70.9176.7170.600000113.2S327 Q330S327-G361 VanDerWaalsContact O-CA 3.25Å; S327-G361 WeakPolarHBondContact O-CA 3.29Å; Q330-G361 PolarHBondContact O-N 3.32Å
362P90.5Very high87.8Confident93 Ų9357 Ų5760%0.60431%0.311SS*.SBendcis-88.7112.39.132.6-26.8000111.8L326 E328L326-P362 CarbonylContact O-C 3.45Å; L326-P362 WeakPolarHBondContact O-CA 3.36Å; E328-P362 HydrophobicContact CG-CB 4.06Å; E328-P362 HydrophobicContact CG-CG 3.8Å
363L88Confident88Confident65 Ų6551.8 Ų51.834%0.3429%0.289SS..EExtended strand (participates in β ladder)trans-157.3158.1178.664.987.2000112.5L326 I359 R360 Y365L326-L363 HydrophobicContact CD1-CD1 4.05Å; L326-L363 HydrophobicContact CD1-CG 4.38Å; L326-L363 PolarHBondContact N-O 3.28Å; L326-L363 PolarHBondContact O-N 2.97Å; L326-L363 VanDerWaalsContact O-N 3.12Å; I359-L363 HydrophobicContact CG2-CD1 3.83Å; I359-L363 HydrophobicContact CG2-CD2 3.59Å; I359-L363 HydrophobicContact CG2-CG 4.16Å; R360-L363 WeakPolarHBondContact O-CD2 3.42Å; L363-Y365 HydrophobicContact CD1-CD2 4.4Å
364E87Confident88.2Confident113 Ų11351.4 Ų51.453%0.52828%0.28SS..EExtended strand (participates in β ladder)trans-93.4117.8170.6-63.9-174.5174.300109.6H279 V323 Y324 V325H279-E364 IonicContact CE1-OE1 2.83Å; H279-E364 PolarHBondContact CE1-OE1 2.92Å; H279-E364 VanDerWaalsContact CE1-OE1 3.24Å; H279-E364 IonicContact ND1-OE1 3.29Å; H279-E364 PolarHBondContact ND1-OE1 3.19Å; H279-E364 IonicContact ND1-OE2 3.95Å; V323-E364 HydrophobicContact CG1-CB 3.98Å; Y324-E364 WeakPolarHBondContact O-CA 3.37Å; V325-E364 HydrophobicContact CG2-CG 4.44Å
365Y89.2Confident88.3Confident17 Ų1754.6 Ų54.67%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-111.9132.6-179.4-168.3-106.4000112.1V323 Y324 L332 L334 E342 I359 L363 P367V323-Y365 WeakPolarHBondContact CG1-O 3.27Å; Y324-Y365 PolarHBondContact N-O 2.79Å; Y324-Y365 PolarHBondContact O-N 3.32Å; L332-Y365 HydrophobicContact CD1-CD1 3.69Å; L332-Y365 HydrophobicContact CD1-CG 4.2Å; L334-Y365 HydrophobicContact CD1-CD1 4.45Å; L334-Y365 HydrophobicContact CD1-CE1 3.57Å; L334-Y365 HydrophobicContact CD1-CE2 4.2Å; L334-Y365 VanDerWaalsContact CD1-CZ 3.43Å; L334-Y365 VanDerWaalsContact CD1-OH 3.3Å; L334-Y365 WeakPolarHBondContact CD1-OH 3.27Å; L334-Y365 HydrophobicContact CD2-CD1 4.46Å; L334-Y365 HydrophobicContact CD2-CE1 3.82Å; L334-Y365 HydrophobicContact CG-CE1 4.37Å; E342-Y365 WeakPolarHBondContact OE1-CE2 3.27Å; E342-Y365 PolarHBondContact OE1-OH 3.38Å; I359-Y365 HydrophobicContact CD1-CD2 3.62Å; I359-Y365 HydrophobicContact CD1-CE1 4.47Å; I359-Y365 HydrophobicContact CD1-CE2 3.27Å; I359-Y365 HydrophobicContact CD1-CG 4.36Å; L363-Y365 HydrophobicContact CD1-CD2 4.4Å; Y365-P367 HydrophobicContact CD1-CG 4.29Å; Y365-P367 HydrophobicContact CE1-CB 4.31Å; Y365-P367 HydrophobicContact CE1-CG 4.15Å
366V89.5Confident88.5Confident27 Ų2757.8 Ų57.816%0.16430%0.297CS..  trans-118.6116.7170.2-179.70000108.4Y281 V301 K303 V323 S368Y281-V366 HydrophobicContact CD1-CG1 4.29Å; Y281-V366 HydrophobicContact CD2-CG1 3.83Å; Y281-V366 HydrophobicContact CE2-CG1 4.41Å; Y281-V366 HydrophobicContact CG-CG1 3.75Å; V301-V366 HydrophobicContact CG1-CG1 3.79Å; K303-V366 HydrophobicContact CB-CG1 4.19Å; K303-V366 HydrophobicContact CB-CG2 4.19Å; K303-V366 HydrophobicContact CD-CB 4.01Å; K303-V366 HydrophobicContact CD-CG1 4.21Å; K303-V366 HydrophobicContact CD-CG2 3.8Å; V323-V366 HydrophobicContact CB-CG2 4.3Å; V323-V366 HydrophobicContact CG1-CG2 3.75Å; V323-V366 HydrophobicContact CG2-CG2 3.74Å; V366-S368 PolarHBondContact O-N 3.16Å
367P88.2Confident88.6Confident11 Ų1155.2 Ų55.27%0.07129%0.285CS..  trans-58.3129.4177.5-23.333.9000111.1Y324 Y365 V373Y324-P367 HydrophobicContact CD2-CG 4.05Å; Y324-P367 HydrophobicContact CE2-CG 3.65Å; Y365-P367 HydrophobicContact CD1-CG 4.29Å; Y365-P367 HydrophobicContact CE1-CB 4.31Å; Y365-P367 HydrophobicContact CE1-CG 4.15Å; P367-V373 HydrophobicContact CB-CG2 4.14Å; P367-V373 HydrophobicContact CG-CG2 3.44Å; P367-V373 VanDerWaalsContact CG-CG2 3.44Å
368S87.4Confident88.7Confident62 Ų6260.5 Ų60.543%0.43431%0.31SS..  trans-71.4158.2170.8-179.50000110.4V366 K370 V371V366-S368 PolarHBondContact O-N 3.16Å; S368-K370 PolarHBondContact O-N 3.31Å; S368-V371 PolarHBondContact O-N 2.88Å
369A84.4Confident88.7Confident33 Ų3359.9 Ų59.927%0.27331%0.31SS..THydrogen-bonded Turntrans-57.1-19.5175.800000114K299 V301K299-A369 HydrophobicContact CB-CB 3.88Å; V301-A369 HydrophobicContact CG2-CB 4.03Å
370K85.8Confident88.7Confident86 Ų8660.7 Ų60.737%0.37431%0.313SS..THydrogen-bonded Turntrans-93.9-3.7179.3-60.8-176.4177.9-178.50113.6L337 Q338 L340 S368L337-K370 WeakPolarHBondContact CB-O 3.38Å; L337-K370 PolarHBondContact N-O 3.35Å; Q338-K370 HydrophobicContact CB-CB 4.2Å; Q338-K370 HydrophobicContact CB-CD 4.21Å; Q338-K370 HydrophobicContact CB-CG 4.14Å; L340-K370 HydrophobicContact CB-CD 4.25Å; L340-K370 HydrophobicContact CD2-CB 4.06Å; S368-K370 PolarHBondContact O-N 3.31Å
371V88.5Confident88.8Confident9 Ų958.4 Ų58.46%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-122.5140-172.1-176.90000109.2L334 L340 W357 S368L334-V371 HydrophobicContact CB-CG1 3.83Å; L334-V371 HydrophobicContact CD1-CG1 4.05Å; L334-V371 HydrophobicContact CD2-CG1 4.07Å; L334-V371 HydrophobicContact CG-CG1 4.21Å; L340-V371 HydrophobicContact CD2-CG2 3.43Å; L340-V371 VanDerWaalsContact CD2-CG2 3.43Å; W357-V371 HydrophobicContact CH2-CG1 3.81Å; W357-V371 HydrophobicContact CH2-CG2 3.95Å; W357-V371 HydrophobicContact CZ2-CG1 3.95Å; W357-V371 HydrophobicContact CZ2-CG2 4.17Å; S368-V371 PolarHBondContact O-N 2.88Å
372E88.1Confident88.9Confident71 Ų7158.4 Ų58.433%0.33231%0.314SS..EExtended strand (participates in β ladder)trans-117.1135173.8-175.9-178.5-175.300109.8L334 R335 L337 V374L334-E372 CarbonylContact C-O 3.55Å; L334-E372 WeakPolarHBondContact CA-O 3.19Å; R335-E372 IonicContact CZ-OE2 3.08Å; R335-E372 PolarHBondContact N-O 3.41Å; R335-E372 IonicContact NE-OE2 3.71Å; R335-E372 PolarHBondContact NE-OE2 3.44Å; R335-E372 VanDerWaalsContact NH2-CD 3.31Å; R335-E372 IonicContact NH2-OE1 2.95Å; R335-E372 PolarHBondContact NH2-OE1 3.04Å; R335-E372 IonicContact NH2-OE2 3.89Å; R335-E372 PolarHBondContact NH2-OE2 3.29Å; R335-E372 PolarHBondContact O-N 3.46Å; L337-E372 HydrophobicContact CD1-CB 4.28Å; L337-E372 HydrophobicContact CD2-CB 4.39Å; L337-E372 WeakPolarHBondContact CD2-OE2 3.42Å; L337-E372 HydrophobicContact CG-CB 4.21Å; E372-V374 PolarHBondContact O-N 2.87Å
373V90Very high88.7Confident32 Ų3258.5 Ų58.519%0.19431%0.309CS..EExtended strand (participates in β ladder)trans-81112.2170.5-177.50000107.6Y324 L332 L334 P367Y324-V373 HydrophobicContact CE1-CG1 4.38Å; Y324-V373 HydrophobicContact CE2-CG2 3.96Å; L332-V373 HydrophobicContact CD2-CG1 3.92Å; L334-V373 HydrophobicContact CD2-CB 4.29Å; L334-V373 HydrophobicContact CD2-CG2 3.74Å; P367-V373 HydrophobicContact CB-CG2 4.14Å; P367-V373 HydrophobicContact CG-CG2 3.44Å; P367-V373 VanDerWaalsContact CG-CG2 3.44Å
374V88.8Confident88.5Confident56 Ų5662.7 Ų62.734%0.33933%0.327SS..EExtended strand (participates in β ladder)trans-83.2-51.7-178.4-177.30000110.2L333 R335 E372L333-V374 HydrophobicContact CD2-CB 4.32Å; L333-V374 HydrophobicContact CD2-CG1 4.31Å; L333-V374 HydrophobicContact CG-CB 4.37Å; L333-V374 PolarHBondContact O-N 2.85Å; R335-V374 HydrophobicContact CB-CG2 3.4Å; E372-V374 PolarHBondContact O-N 2.87Å
375E87.6Confident88.4Confident105 Ų10561.6 Ų61.649%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-149.3141.2-174.8-77.7172.7-176.100111.4L333L333-E375 HydrophobicContact CB-CB 4.23Å; L333-E375 HydrophobicContact CD2-CB 4.38Å; L333-E375 PolarHBondContact N-O 2.89Å; L333-E375 PolarHBondContact O-N 3.18Å
376E90.8Very high88.2Confident130 Ų13064.4 Ų64.461%0.60734%0.338SS*.EExtended strand (participates in β ladder)trans-83.1125.4165.5-62.4-174.9-17800109.6Y324 L332Y324-E376 WeakPolarHBondContact CE1-OE1 3.29Å; L332-E376 HydrophobicContact CD2-CB 4.42Å; L332-E376 HydrophobicContact CD2-CG 3.77Å
377R90.6Very high88.2Confident20 Ų2063.3 Ų63.38%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-110134.4-180-65.6-165.9170.6-155.2-2.3110.6Q330 G331 L358 L408 T409 E412Q330-R377 CarbonylContact C-O 3.6Å; Q330-R377 WeakPolarHBondContact CA-O 3.5Å; G331-R377 PolarHBondContact N-O 3.32Å; G331-R377 PolarHBondContact O-N 2.84Å; L358-R377 HydrophobicContact CD1-CB 4.35Å; L358-R377 HydrophobicContact CD1-CG 4.45Å; R377-L408 VanDerWaalsContact NH1-C 3.31Å; R377-L408 PolarHBondContact NH1-O 2.69Å; R377-T409 PolarHBondContact NH1-O 2.84Å; R377-E412 PolarHBondContact NH1-O 2.96Å; R377-E412 VanDerWaalsContact NH1-O 3.13Å; R377-E412 PolarHBondContact NH2-O 2.83Å; R377-E412 VanDerWaalsContact NH2-O 3.08Å
378Q91.2Very high88.5Confident132 Ų13262.9 Ų62.962%0.61733%0.33SS*.EExtended strand (participates in β ladder)trans-114.6144.9174.1-61.5-173.6-1.800109.7Q330 I380Q330-Q378 HydrophobicContact CG-CG 4.33Å; Q378-I380 PolarHBondContact O-N 2.86Å
379A90.7Very high88.8Confident16 Ų1660 Ų6013%0.13231%0.309CS..  trans-68.5129.4170.800000109.3Q329 P381 T405 M407Q329-A379 HydrophobicContact CB-CB 3.99Å; Q329-A379 HydrophobicContact CG-CB 4.48Å; Q329-A379 WeakPolarHBondContact O-CB 3.44Å; Q329-A379 PolarHBondContact O-N 3.1Å; A379-P381 WeakPolarHBondContact O-CD 3.35Å; A379-T405 HydrophobicContact CB-CG2 3.69Å; A379-M407 HydrophobicContact CB-CB 4Å
380I91.1Very high89.2Confident40 Ų4058.4 Ų58.421%0.20530%0.296CS..BIsolated β-bridgetrans-86.7115.9178.6-59.4166.8000106.6Q378 L382 I388 T405 Y406 L414Q378-I380 PolarHBondContact O-N 2.86Å; I380-L382 HydrophobicContact CG2-CD2 3.87Å; I380-L382 HydrophobicContact CG2-CG 4.24Å; I380-L382 PolarHBondContact O-N 2.92Å; I380-I388 HydrophobicContact CD1-CD1 3.77Å; I380-I388 HydrophobicContact CG2-CG2 4.39Å; I380-T405 WeakPolarHBondContact O-CA 3.24Å; I380-Y406 PolarHBondContact N-O 2.97Å; I380-Y406 PolarHBondContact O-N 3.38Å; I380-L414 HydrophobicContact CD1-CD1 4.33Å; I380-L414 HydrophobicContact CD1-CD2 3.98Å
381P89.7Confident89.5Confident95 Ų9557.5 Ų57.562%0.61729%0.294SS*.  trans-68.1127.517528.6-33000108.9A379A379-P381 WeakPolarHBondContact O-CD 3.35Å
382L89.2Confident89.6Confident13 Ų1358.5 Ų58.57%0.06830%0.299CS..  trans-128.6123.4178.7-59.3170.9000108.7I380 E386 I388 S404I380-L382 HydrophobicContact CG2-CD2 3.87Å; I380-L382 HydrophobicContact CG2-CG 4.24Å; I380-L382 PolarHBondContact O-N 2.92Å; L382-E386 HydrophobicContact CD2-CB 4.35Å; L382-I388 HydrophobicContact CD1-CD1 4.16Å; L382-I388 HydrophobicContact CD1-CG1 3.87Å; L382-I388 HydrophobicContact CD1-CG2 4.46Å; L382-I388 HydrophobicContact CD2-CG2 3.96Å; L382-S404 WeakPolarHBondContact CB-O 3.41Å; L382-S404 WeakPolarHBondContact CD1-O 3.39Å
383D86.7Confident89.6Confident95 Ų9559.8 Ų59.851%0.50831%0.311SS..  trans-74.1166.2170.7-175.737.4000111.3N385 E386 G403D383-N385 PolarHBondContact O-N 3.01Å; D383-E386 HydrophobicContact CB-CB 4.4Å; D383-E386 HydrophobicContact CB-CG 4.2Å; D383-E386 PolarHBondContact O-N 3.22Å; D383-E386 VanDerWaalsContact O-O 3.12Å; D383-G403 VanDerWaalsContact O-CA 3.27Å; D383-G403 WeakPolarHBondContact O-CA 3.37Å; D383-G403 PolarHBondContact O-N 2.91Å
384E84.2Confident89.5Confident154 Ų15465.1 Ų65.172%0.7233%0.332SS*.THydrogen-bonded Turntrans-51.3-30.7-179.9-67.1-173168.900113.5
385N84.1Confident89.5Confident89 Ų8967 Ų6748%0.47634%0.343SS..THydrogen-bonded Turntrans-99.9-2.7-179.2-61.1-56.8000114D383 L486D383-N385 PolarHBondContact O-N 3.01Å; N385-L486 HydrophobicContact CB-CD2 3.66Å; N385-L486 WeakPolarHBondContact OD1-CD2 3.3Å
386E85.9Confident89.5Confident76 Ų7663.9 Ų63.936%0.35534%0.339SS..  trans-106.5150.3179.8-65.2-163.2154.300111.5L382 D383 I402 G403 R456L382-E386 HydrophobicContact CD2-CB 4.35Å; D383-E386 HydrophobicContact CB-CB 4.4Å; D383-E386 HydrophobicContact CB-CG 4.2Å; D383-E386 PolarHBondContact O-N 3.22Å; D383-E386 VanDerWaalsContact O-O 3.12Å; E386-I402 WeakPolarHBondContact O-CA 3.39Å; E386-I402 WeakPolarHBondContact O-CG2 3.22Å; E386-G403 PolarHBondContact O-N 2.88Å; E386-R456 IonicContact OE1-NH1 2.84Å; E386-R456 PolarHBondContact OE1-NH1 3.09Å; E386-R456 VanDerWaalsContact OE1-NH1 3.1Å; E386-R456 IonicContact OE2-CZ 2.97Å; E386-R456 IonicContact OE2-NH1 3.54Å; E386-R456 PolarHBondContact OE2-NH1 3.36Å
387G89.9Confident89.4Confident4 Ų463.6 Ų63.64%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-157.6169.5176.600000113.3V401 R456 V457G387-V401 CarbonylContact C-O 3.58Å; G387-V401 WeakPolarHBondContact CA-O 3.37Å; G387-R456 CarbonylContact O-C 3.6Å; G387-R456 WeakPolarHBondContact O-CA 3.48Å; G387-V457 VanDerWaalsContact C-CG2 3.41Å; G387-V457 PolarHBondContact O-N 3.35Å
388I93.1Very high89.4Confident3 Ų363.6 Ų63.62%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-127.5151.3175.856178.6000110.9I380 L382 V390 A400 V401 Y406 L414 T455I380-I388 HydrophobicContact CD1-CD1 3.77Å; I380-I388 HydrophobicContact CG2-CG2 4.39Å; L382-I388 HydrophobicContact CD1-CD1 4.16Å; L382-I388 HydrophobicContact CD1-CG1 3.87Å; L382-I388 HydrophobicContact CD1-CG2 4.46Å; L382-I388 HydrophobicContact CD2-CG2 3.96Å; I388-V390 HydrophobicContact CD1-CG2 3.97Å; I388-V390 HydrophobicContact CG1-CG2 3.95Å; I388-A400 WeakPolarHBondContact O-CA 3.39Å; I388-V401 HydrophobicContact CG1-CB 4.34Å; I388-V401 PolarHBondContact N-O 2.87Å; I388-V401 PolarHBondContact O-N 3.31Å; I388-Y406 HydrophobicContact CD1-CD1 4.17Å; I388-L414 HydrophobicContact CB-CD2 4.2Å; I388-L414 HydrophobicContact CD1-CD2 3.99Å; I388-L414 HydrophobicContact CG2-CD2 4.49Å; I388-T455 WeakPolarHBondContact CA-O 3.39Å
389Y94.3Very high89.4Confident0 Ų061.1 Ų61.10%032%0.323CS..EExtended strand (participates in β ladder)trans-89.2127.2168.1-61.5-68.9000110.2R399 A400 W415 K417 T455 R456 V457 V458 L489 P491Y389-R399 WeakPolarHBondContact CA-O 3.27Å; Y389-A400 HydrophobicContact CD1-CB 4.09Å; Y389-A400 HydrophobicContact CE1-CB 4.01Å; Y389-W415 WeakPolarHBondContact CB-O 3.37Å; Y389-W415 HydrophobicContact CD1-CE3 4.46Å; Y389-W415 HydrophobicContact CD2-CE3 4.36Å; Y389-W415 AromaticContact CG-CE3 3.98Å; Y389-W415 HydrophobicContact CG-CE3 3.98Å; Y389-W415 HydrophobicContact CG-CZ3 4.48Å; Y389-W415 PolarHBondContact O-N 3.49Å; Y389-K417 HydrophobicContact CD2-CB 3.75Å; Y389-K417 HydrophobicContact CD2-CD 4.42Å; Y389-K417 HydrophobicContact CE1-CD 4.22Å; Y389-K417 HydrophobicContact CE2-CB 3.54Å; Y389-K417 HydrophobicContact CE2-CD 3.5Å; Y389-K417 VanDerWaalsContact CE2-CD 3.5Å; Y389-K417 HydrophobicContact CE2-CG 4.17Å; Y389-K417 VanDerWaalsContact OH-CD 3.24Å; Y389-K417 WeakPolarHBondContact OH-CD 3.35Å; Y389-T455 PolarHBondContact N-O 3.29Å; Y389-R456 WeakPolarHBondContact CE2-O 3.26Å; Y389-V457 HydrophobicContact CD1-CG2 4.34Å; Y389-V457 HydrophobicContact CE1-CG2 4.02Å; Y389-V457 HydrophobicContact CE2-CG2 4.34Å; Y389-V458 PolarHBondContact OH-N 2.89Å; Y389-L489 WeakPolarHBondContact CE1-O 3.38Å; Y389-L489 PolarHBondContact OH-O 3.35Å; Y389-P491 HydrophobicContact CD1-CB 4.26Å; Y389-P491 HydrophobicContact CE1-CB 4.44Å
390V92.6Very high89.4Confident0 Ų062 Ų620%033%0.33CS..EExtended strand (participates in β ladder)trans-120127.1-179.2-176.50000108.6I388 V398 R399 V401 Y406 L408 E412I388-V390 HydrophobicContact CD1-CG2 3.97Å; I388-V390 HydrophobicContact CG1-CG2 3.95Å; V390-V398 WeakPolarHBondContact O-CA 3.39Å; V390-R399 PolarHBondContact N-O 2.87Å; V390-R399 PolarHBondContact O-N 3.03Å; V390-V401 HydrophobicContact CG2-CG2 3.99Å; V390-Y406 HydrophobicContact CG2-CD1 4.39Å; V390-Y406 HydrophobicContact CG2-CE1 4.15Å; V390-L408 HydrophobicContact CB-CD2 4.49Å; V390-L408 HydrophobicContact CG1-CD2 3.86Å; V390-L408 HydrophobicContact CG2-CD2 3.88Å; V390-E412 HydrophobicContact CG1-CB 3.59Å; V390-E412 HydrophobicContact CG1-CG 3.55Å
391Q92.6Very high89.4Confident68 Ų6860.9 Ų60.932%0.31833%0.325SS..EExtended strand (participates in β ladder)trans-106.4128172.3-179.5175.22400109.6V398 E412 V413 W415Q391-V398 HydrophobicContact CB-CG2 4.06Å; Q391-V398 HydrophobicContact CG-CG2 4Å; Q391-E412 WeakPolarHBondContact O-CA 3.36Å; Q391-V413 PolarHBondContact N-O 2.81Å; Q391-V413 PolarHBondContact O-N 3.17Å; Q391-W415 HydrophobicContact CB-CB 3.96Å; Q391-W415 HydrophobicContact CB-CG 4.37Å
392D91.3Very high89.3Confident30 Ų3059.9 Ų59.916%0.1631%0.314CS..EExtended strand (participates in β ladder)trans-78.2121.7167.4176.4-22.2000109.3K394 T395 G396 K397 D411D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 WeakPolarHBondContact OD1-CA 3.25Å; D392-K394 WeakPolarHBondContact OD1-CB 3.23Å; D392-K394 PolarHBondContact OD1-N 2.9Å; D392-T395 VanDerWaalsContact CB-OG1 3.3Å; D392-T395 WeakPolarHBondContact CB-OG1 3.45Å; D392-T395 PolarHBondContact OD1-N 2.8Å; D392-T395 WeakPolarHBondContact OD2-CG2 3.49Å; D392-T395 PolarHBondContact OD2-OG1 3.44Å; D392-G396 WeakPolarHBondContact O-CA 3.49Å; D392-G396 PolarHBondContact O-N 3.37Å; D392-K397 PolarHBondContact N-O 3.07Å; D392-K397 VanDerWaalsContact N-O 3.09Å; D392-D411 CarbonylContact C-O 3.59Å; D392-D411 WeakPolarHBondContact CA-O 3.29Å
393V87.6Confident89.1Confident97 Ų9760.9 Ų60.959%0.58833%0.327SS*.THydrogen-bonded Turntrans-68.4-31.6-177.5-179.80000111.6D411 V413V393-D411 WeakPolarHBondContact CG2-O 3.47Å; V393-D411 PolarHBondContact N-O 2.76Å; V393-V413 HydrophobicContact CG2-CB 4.36Å; V393-V413 HydrophobicContact CG2-CG2 3.55Å
394K87.3Confident89Confident145 Ų14559.2 Ų59.263%0.6332%0.323SS*.THydrogen-bonded Turntrans-78.4-46.3179.4-72.5178.2173.6153.60111.6D392 D411D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 WeakPolarHBondContact OD1-CA 3.25Å; D392-K394 WeakPolarHBondContact OD1-CB 3.23Å; D392-K394 PolarHBondContact OD1-N 2.9Å; K394-D411 HydrophobicContact CD-CB 4.28Å; K394-D411 WeakPolarHBondContact CD-OD1 3.48Å; K394-D411 VanDerWaalsContact CE-CG 3.44Å; K394-D411 WeakPolarHBondContact CE-OD1 3.47Å; K394-D411 WeakPolarHBondContact CE-OD2 2.96Å; K394-D411 HydrophobicContact CG-CB 4.38Å; K394-D411 IonicContact NZ-OD1 2.89Å; K394-D411 PolarHBondContact NZ-OD1 3.36Å; K394-D411 IonicContact NZ-OD2 2.99Å; K394-D411 PolarHBondContact NZ-OD2 2.95Å
395T89Confident89.2Confident94 Ų9455.7 Ų55.758%0.57731%0.312SS*.THydrogen-bonded Turntrans-93.7-15.6-174.967.30000113.6D392 K397D392-T395 VanDerWaalsContact CB-OG1 3.3Å; D392-T395 WeakPolarHBondContact CB-OG1 3.45Å; D392-T395 PolarHBondContact OD1-N 2.8Å; D392-T395 WeakPolarHBondContact OD2-CG2 3.49Å; D392-T395 PolarHBondContact OD2-OG1 3.44Å; T395-K397 PolarHBondContact O-N 3.2Å; T395-K397 WeakPolarHBondContact OG1-CB 3.39Å; T395-K397 PolarHBondContact OG1-N 3.3Å
396G87.4Confident89.5Confident40 Ų4053.7 Ų53.741%0.41230%0.299SS..  trans68.83-171.500000113.8D392 V398D392-G396 WeakPolarHBondContact O-CA 3.49Å; D392-G396 PolarHBondContact O-N 3.37Å; G396-V398 PolarHBondContact O-N 2.95Å
397K89.3Confident89.7Confident125 Ų12551 Ų5154%0.54329%0.286SS..  trans-75.6119-173.7-172.8-179.2178.8-176.30110.2D392 T395D392-K397 PolarHBondContact N-O 3.07Å; D392-K397 VanDerWaalsContact N-O 3.09Å; T395-K397 PolarHBondContact O-N 3.2Å; T395-K397 WeakPolarHBondContact OG1-CB 3.39Å; T395-K397 PolarHBondContact OG1-N 3.3Å
398V91.1Very high89.7Confident19 Ų1951.9 Ų51.912%0.11529%0.29CS..EExtended strand (participates in β ladder)trans-92.3137.4173.2-168.20000110.1V390 Q391 G396 W415 P491V390-V398 WeakPolarHBondContact O-CA 3.39Å; Q391-V398 HydrophobicContact CB-CG2 4.06Å; Q391-V398 HydrophobicContact CG-CG2 4Å; G396-V398 PolarHBondContact O-N 2.95Å; V398-W415 HydrophobicContact CG1-CB 3.98Å; V398-W415 HydrophobicContact CG1-CD2 3.67Å; V398-W415 HydrophobicContact CG1-CE3 3.69Å; V398-W415 HydrophobicContact CG1-CG 3.8Å; V398-W415 HydrophobicContact CG1-CZ3 4.33Å; V398-W415 HydrophobicContact CG2-CD2 4.23Å; V398-W415 HydrophobicContact CG2-CG 4.11Å; V398-P491 HydrophobicContact CB-CB 4.03Å; V398-P491 HydrophobicContact CB-CG 4.42Å; V398-P491 HydrophobicContact CG1-CB 3.63Å; V398-P491 HydrophobicContact CG1-CG 4.31Å
399R90.2Very high89.6Confident81 Ų8153.7 Ų53.731%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-142.7158.4172.766.3-177.7-175.4-933.6111.3Y389 V390 Y406 E412Y389-R399 WeakPolarHBondContact CA-O 3.27Å; V390-R399 PolarHBondContact N-O 2.87Å; V390-R399 PolarHBondContact O-N 3.03Å; R399-Y406 PolarHBondContact NH2-OH 2.87Å; R399-E412 IonicContact CZ-OE1 3.36Å; R399-E412 IonicContact NH1-OE1 3.83Å; R399-E412 IonicContact NH2-OE1 3.92Å; R399-E412 PolarHBondContact NH2-OE1 3.3Å
400A90.4Very high89.2Confident34 Ų3457.1 Ų57.128%0.28132%0.317SS..EExtended strand (participates in β ladder)trans-93.1133.717000000109.6I388 Y389 I402 V457I388-A400 WeakPolarHBondContact O-CA 3.39Å; Y389-A400 HydrophobicContact CD1-CB 4.09Å; Y389-A400 HydrophobicContact CE1-CB 4.01Å; A400-I402 HydrophobicContact CB-CG1 4.48Å; A400-V457 HydrophobicContact CB-CG2 3.83Å
401V90.7Very high89.1Confident17 Ų1758.7 Ų58.710%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-112.6124.9171.6-177.80000107.5G387 I388 V390 Y406G387-V401 CarbonylContact C-O 3.58Å; G387-V401 WeakPolarHBondContact CA-O 3.37Å; I388-V401 HydrophobicContact CG1-CB 4.34Å; I388-V401 PolarHBondContact N-O 2.87Å; I388-V401 PolarHBondContact O-N 3.31Å; V390-V401 HydrophobicContact CG2-CG2 3.99Å; V401-Y406 HydrophobicContact CB-CG 4.5Å; V401-Y406 HydrophobicContact CG1-CD1 4.35Å; V401-Y406 HydrophobicContact CG1-CD2 3.67Å; V401-Y406 HydrophobicContact CG1-CE2 4.14Å; V401-Y406 HydrophobicContact CG1-CG 3.77Å; V401-Y406 HydrophobicContact CG2-CD1 4.46Å; V401-Y406 HydrophobicContact CG2-CE1 4.25Å; V401-Y406 HydrophobicContact CG2-CE2 4.47Å
402I88.8Confident89Confident73 Ų7356 Ų5637%0.37431%0.313SS..EExtended strand (participates in β ladder)trans-131.3143.8-169.9-54.5174.4000109.1E386 A400 S404 V457E386-I402 WeakPolarHBondContact O-CA 3.39Å; E386-I402 WeakPolarHBondContact O-CG2 3.22Å; A400-I402 HydrophobicContact CB-CG1 4.48Å; I402-S404 PolarHBondContact O-N 3.12Å; I402-V457 HydrophobicContact CD1-CG1 4.48Å; I402-V457 HydrophobicContact CG1-CG2 4.41Å
403G84.7Confident89.1Confident34 Ų3457.8 Ų57.835%0.35133%0.325SS..SBendtrans78.76.4162.500000117.5D383 E386D383-G403 VanDerWaalsContact O-CA 3.27Å; D383-G403 WeakPolarHBondContact O-CA 3.37Å; D383-G403 PolarHBondContact O-N 2.91Å; E386-G403 PolarHBondContact O-N 2.88Å
404S85.3Confident89.3Confident60 Ų6056 Ų5642%0.4231%0.312SS..SBendtrans-145.6140.7177.250.50000111.1L382 I402 Y406L382-S404 WeakPolarHBondContact CB-O 3.41Å; L382-S404 WeakPolarHBondContact CD1-O 3.39Å; I402-S404 PolarHBondContact O-N 3.12Å; S404-Y406 PolarHBondContact O-N 3.34Å; S404-Y406 VanDerWaalsContact O-N 3.12Å
405T87.5Confident89.6Confident80 Ų8052.1 Ų52.149%0.49129%0.293SS..  trans-53.6118.6171.9-60.40000109.5A379 I380A379-T405 HydrophobicContact CB-CG2 3.69Å; I380-T405 WeakPolarHBondContact O-CA 3.24Å
406Y90Very high89.7Confident48 Ų4852.9 Ų52.919%0.18829%0.29CS..BIsolated β-bridgetrans-123.6131.2-170.9-162.4-103.7000111.5I380 I388 V390 R399 V401 S404 E412I380-Y406 PolarHBondContact N-O 2.97Å; I380-Y406 PolarHBondContact O-N 3.38Å; I388-Y406 HydrophobicContact CD1-CD1 4.17Å; V390-Y406 HydrophobicContact CG2-CD1 4.39Å; V390-Y406 HydrophobicContact CG2-CE1 4.15Å; R399-Y406 PolarHBondContact NH2-OH 2.87Å; V401-Y406 HydrophobicContact CB-CG 4.5Å; V401-Y406 HydrophobicContact CG1-CD1 4.35Å; V401-Y406 HydrophobicContact CG1-CD2 3.67Å; V401-Y406 HydrophobicContact CG1-CE2 4.14Å; V401-Y406 HydrophobicContact CG1-CG 3.77Å; V401-Y406 HydrophobicContact CG2-CD1 4.46Å; V401-Y406 HydrophobicContact CG2-CE1 4.25Å; V401-Y406 HydrophobicContact CG2-CE2 4.47Å; S404-Y406 PolarHBondContact O-N 3.34Å; S404-Y406 VanDerWaalsContact O-N 3.12Å; Y406-E412 WeakPolarHBondContact CE1-OE2 3.44Å; Y406-E412 PolarHBondContact OH-OE1 3Å; Y406-E412 PolarHBondContact OH-OE2 3.22Å
407M90Very high89.9Confident20 Ų2051.1 Ų51.110%0.09927%0.271CS..  trans-113122.1174.6-175.4172.3146.100108.9G331 L358 R360 A379 T409G331-M407 VanDerWaalsContact CA-CE 3.46Å; L358-M407 HydrophobicContact CD1-CE 3.74Å; L358-M407 HydrophobicContact CD2-CE 3.72Å; L358-M407 HydrophobicContact CG-CE 3.82Å; R360-M407 HydrophobicContact CB-CE 4.46Å; R360-M407 HydrophobicContact CG-CE 3.77Å; A379-M407 HydrophobicContact CB-CB 4Å; M407-T409 PolarHBondContact O-N 2.86Å
408L91.5Very high89.8Confident22 Ų2251.5 Ų51.512%0.11528%0.275CS..  trans-59.1128.8-176.9-62.8165000110.7L358 R377 V390 E412 L414L358-L408 WeakPolarHBondContact CD2-O 2.94Å; R377-L408 VanDerWaalsContact NH1-C 3.31Å; R377-L408 PolarHBondContact NH1-O 2.69Å; V390-L408 HydrophobicContact CB-CD2 4.49Å; V390-L408 HydrophobicContact CG1-CD2 3.86Å; V390-L408 HydrophobicContact CG2-CD2 3.88Å; L408-E412 HydrophobicContact CB-CB 4.28Å; L408-E412 HydrophobicContact CD2-CB 4.22Å; L408-L414 HydrophobicContact CD1-CD2 4.21Å; L408-L414 HydrophobicContact CD1-CG 3.91Å; L408-L414 HydrophobicContact CD2-CD2 4.1Å
409T90Very high89.6Confident41 Ų4151.3 Ų51.325%0.25227%0.273SS..  trans-72.9166.9175.571.10000112.3R377 M407 D411 E412R377-T409 PolarHBondContact NH1-O 2.84Å; M407-T409 PolarHBondContact O-N 2.86Å; T409-D411 PolarHBondContact O-N 2.76Å; T409-E412 PolarHBondContact N-OE2 3.14Å; T409-E412 WeakPolarHBondContact O-CB 3.14Å; T409-E412 PolarHBondContact O-N 2.83Å; T409-E412 WeakPolarHBondContact OG1-CG 3.4Å; T409-E412 PolarHBondContact OG1-OE1 3.45Å; T409-E412 PolarHBondContact OG1-OE2 3.1Å
410Q86.8Confident89.6Confident71 Ų7150 Ų5033%0.33228%0.275SS..THydrogen-bonded Turntrans-50.6-31.4-175.674.1-158.213.600115L333 H356 W357 L358L333-Q410 HydrophobicContact CD1-CB 3.94Å; H356-Q410 PolarHBondContact O-OE1 2.93Å; W357-Q410 VanDerWaalsContact CA-OE1 3.26Å; L358-Q410 HydrophobicContact CB-CB 4.28Å
411D89.8Confident89.3Confident33 Ų3353 Ų5318%0.17629%0.292CS..THydrogen-bonded Turntrans-103.112.5-176.6-61.7-55000112D392 V393 K394 T409D392-D411 CarbonylContact C-O 3.59Å; D392-D411 WeakPolarHBondContact CA-O 3.29Å; V393-D411 WeakPolarHBondContact CG2-O 3.47Å; V393-D411 PolarHBondContact N-O 2.76Å; K394-D411 HydrophobicContact CD-CB 4.28Å; K394-D411 WeakPolarHBondContact CD-OD1 3.48Å; K394-D411 VanDerWaalsContact CE-CG 3.44Å; K394-D411 WeakPolarHBondContact CE-OD1 3.47Å; K394-D411 WeakPolarHBondContact CE-OD2 2.96Å; K394-D411 HydrophobicContact CG-CB 4.38Å; K394-D411 IonicContact NZ-OD1 2.89Å; K394-D411 PolarHBondContact NZ-OD1 3.36Å; K394-D411 IonicContact NZ-OD2 2.99Å; K394-D411 PolarHBondContact NZ-OD2 2.95Å; T409-D411 PolarHBondContact O-N 2.76Å
412E91.3Very high89Confident11 Ų1153 Ų535%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-114.4140.5-175.8-76.1170.4-176.600112.5R377 V390 Q391 R399 Y406 L408 T409R377-E412 PolarHBondContact NH1-O 2.96Å; R377-E412 VanDerWaalsContact NH1-O 3.13Å; R377-E412 PolarHBondContact NH2-O 2.83Å; R377-E412 VanDerWaalsContact NH2-O 3.08Å; V390-E412 HydrophobicContact CG1-CB 3.59Å; V390-E412 HydrophobicContact CG1-CG 3.55Å; Q391-E412 WeakPolarHBondContact O-CA 3.36Å; R399-E412 IonicContact CZ-OE1 3.36Å; R399-E412 IonicContact NH1-OE1 3.83Å; R399-E412 IonicContact NH2-OE1 3.92Å; R399-E412 PolarHBondContact NH2-OE1 3.3Å; Y406-E412 WeakPolarHBondContact CE1-OE2 3.44Å; Y406-E412 PolarHBondContact OH-OE1 3Å; Y406-E412 PolarHBondContact OH-OE2 3.22Å; L408-E412 HydrophobicContact CB-CB 4.28Å; L408-E412 HydrophobicContact CD2-CB 4.22Å; T409-E412 PolarHBondContact N-OE2 3.14Å; T409-E412 WeakPolarHBondContact O-CB 3.14Å; T409-E412 PolarHBondContact O-N 2.83Å; T409-E412 WeakPolarHBondContact OG1-CG 3.4Å; T409-E412 PolarHBondContact OG1-OE1 3.45Å; T409-E412 PolarHBondContact OG1-OE2 3.1Å
413V92Very high88.9Confident69 Ų6949.7 Ų49.742%0.41828%0.278SS..EExtended strand (participates in β ladder)trans-134.5151.3176.2-178.20000109.3Q391 V393 W415Q391-V413 PolarHBondContact N-O 2.81Å; Q391-V413 PolarHBondContact O-N 3.17Å; V393-V413 HydrophobicContact CG2-CB 4.36Å; V393-V413 HydrophobicContact CG2-CG2 3.55Å; V413-W415 PolarHBondContact O-N 2.83Å
414L92.1Very high88.9Confident60 Ų6050.4 Ų50.431%0.31427%0.272SS..EExtended strand (participates in β ladder)trans-66.7129.1173.4-66.4173.2000110.4I380 I388 L408 T455I380-L414 HydrophobicContact CD1-CD1 4.33Å; I380-L414 HydrophobicContact CD1-CD2 3.98Å; I388-L414 HydrophobicContact CB-CD2 4.2Å; I388-L414 HydrophobicContact CD1-CD2 3.99Å; I388-L414 HydrophobicContact CG2-CD2 4.49Å; L408-L414 HydrophobicContact CD1-CD2 4.21Å; L408-L414 HydrophobicContact CD1-CG 3.91Å; L408-L414 HydrophobicContact CD2-CD2 4.1Å; L414-T455 HydrophobicContact CB-CG2 3.82Å; L414-T455 HydrophobicContact CD1-CG2 4.34Å
415W93Very high88.7Confident63 Ų6353.1 Ų53.124%0.23928%0.278CS..  trans-100.4133.5178.7-174.575.9000111.1Y389 Q391 V398 V413 K417 T455 P491Y389-W415 WeakPolarHBondContact CB-O 3.37Å; Y389-W415 HydrophobicContact CD1-CE3 4.46Å; Y389-W415 HydrophobicContact CD2-CE3 4.36Å; Y389-W415 AromaticContact CG-CE3 3.98Å; Y389-W415 HydrophobicContact CG-CE3 3.98Å; Y389-W415 HydrophobicContact CG-CZ3 4.48Å; Y389-W415 PolarHBondContact O-N 3.49Å; Q391-W415 HydrophobicContact CB-CB 3.96Å; Q391-W415 HydrophobicContact CB-CG 4.37Å; V398-W415 HydrophobicContact CG1-CB 3.98Å; V398-W415 HydrophobicContact CG1-CD2 3.67Å; V398-W415 HydrophobicContact CG1-CE3 3.69Å; V398-W415 HydrophobicContact CG1-CG 3.8Å; V398-W415 HydrophobicContact CG1-CZ3 4.33Å; V398-W415 HydrophobicContact CG2-CD2 4.23Å; V398-W415 HydrophobicContact CG2-CG 4.11Å; V413-W415 PolarHBondContact O-N 2.83Å; W415-K417 HydrophobicContact CE3-CB 3.94Å; W415-K417 HydrophobicContact CH2-CB 4.14Å; W415-K417 HydrophobicContact CH2-CG 4.13Å; W415-K417 VanDerWaalsContact CZ3-CA 3.44Å; W415-K417 HydrophobicContact CZ3-CB 3.4Å; W415-K417 VanDerWaalsContact CZ3-CB 3.4Å; W415-K417 HydrophobicContact CZ3-CD 4.39Å; W415-K417 HydrophobicContact CZ3-CG 3.69Å; W415-T455 WeakPolarHBondContact O-CA 3.09Å; W415-P491 HydrophobicContact CZ3-CB 4.17Å
416E91.2Very high88.5Confident109 Ų10950.7 Ų50.751%0.50926%0.262SS..  trans-89.1115.3176.8-67.5-169.6-178.200110.9E418 K454 T455E416-E418 PolarHBondContact O-N 3.3Å; E416-K454 HydrophobicContact CB-CB 3.84Å; E416-K454 HydrophobicContact CB-CD 4.28Å; E416-K454 HydrophobicContact CG-CB 4Å; E416-K454 WeakPolarHBondContact OE2-CD 3.43Å; E416-T455 HydrophobicContact CG-CG2 4.02Å
417K91.7Very high88.1Confident4 Ų449.9 Ų49.92%0.01726%0.261CS..  trans-84111.2174.3-174.4178.2174.694.80110.6Y389 W415 R452 K454 V458 G490 P491 E493Y389-K417 HydrophobicContact CD2-CB 3.75Å; Y389-K417 HydrophobicContact CD2-CD 4.42Å; Y389-K417 HydrophobicContact CE1-CD 4.22Å; Y389-K417 HydrophobicContact CE2-CB 3.54Å; Y389-K417 HydrophobicContact CE2-CD 3.5Å; Y389-K417 VanDerWaalsContact CE2-CD 3.5Å; Y389-K417 HydrophobicContact CE2-CG 4.17Å; Y389-K417 VanDerWaalsContact OH-CD 3.24Å; Y389-K417 WeakPolarHBondContact OH-CD 3.35Å; W415-K417 HydrophobicContact CE3-CB 3.94Å; W415-K417 HydrophobicContact CH2-CB 4.14Å; W415-K417 HydrophobicContact CH2-CG 4.13Å; W415-K417 VanDerWaalsContact CZ3-CA 3.44Å; W415-K417 HydrophobicContact CZ3-CB 3.4Å; W415-K417 VanDerWaalsContact CZ3-CB 3.4Å; W415-K417 HydrophobicContact CZ3-CD 4.39Å; W415-K417 HydrophobicContact CZ3-CG 3.69Å; K417-R452 PolarHBondContact O-NH2 3.31Å; K417-K454 PolarHBondContact N-O 2.96Å; K417-V458 HydrophobicContact CD-CG2 4.05Å; K417-G490 PolarHBondContact NZ-O 3.38Å; K417-P491 PolarHBondContact NZ-O 3.22Å; K417-E493 WeakPolarHBondContact CE-O 3.49Å; K417-E493 PolarHBondContact NZ-O 3.39Å
418E88.6Confident87.4Confident133 Ų13352.3 Ų52.362%0.62127%0.274SS*.  trans-81.5131.6172-56.5-151.2130.700111.5E416 K454E416-E418 PolarHBondContact O-N 3.3Å; E418-K454 IonicContact OE1-NZ 2.81Å; E418-K454 PolarHBondContact OE1-NZ 2.89Å
419L87.3Confident86.4Confident15 Ų1556.5 Ų56.58%0.07929%0.292CS..  trans-112.4151.3174-68.5178.2000109.7V423 E424 L427 V458 L489L419-V423 HydrophobicContact CD1-CG1 4.22Å; L419-E424 HydrophobicContact CB-CG 3.6Å; L419-E424 HydrophobicContact CD1-CG 4.25Å; L419-L427 HydrophobicContact CD1-CD1 3.59Å; L419-V458 HydrophobicContact CD1-CG1 4.06Å; L419-V458 HydrophobicContact CD1-CG2 3.97Å; L419-L489 HydrophobicContact CD2-CD1 4.38Å
420P88.8Confident85Confident53 Ų5357.8 Ų57.834%0.34431%0.313SS..  trans-56.4141.4170.5-23.233.2000111G422 V423 E424P420-G422 PolarHBondContact O-N 2.87Å; P420-G422 VanDerWaalsContact O-N 3.14Å; P420-V423 HydrophobicContact CB-CG2 4.19Å; P420-V423 HydrophobicContact CG-CG2 4.27Å; P420-V423 WeakPolarHBondContact O-CA 3.39Å; P420-V423 WeakPolarHBondContact O-CB 3.48Å; P420-V423 PolarHBondContact O-N 2.79Å; P420-E424 PolarHBondContact O-N 2.91Å
421P84.9Confident83.7Confident97 Ų9758.4 Ų58.463%0.6332%0.316SS*.Hα-helixtrans-58.9-35.9-17321-33000112.8V423 E424 E425P421-V423 VanDerWaalsContact C-N 3.27Å; P421-V423 PolarHBondContact O-N 2.99Å; P421-E424 PolarHBondContact O-N 3.2Å; P421-E425 WeakPolarHBondContact O-CG 3.41Å; P421-E425 PolarHBondContact O-N 3.18Å
422G83.9Confident82.4Confident16 Ų1660 Ų6017%0.16532%0.324CS..Hα-helixtrans-67-24.3176.200000114.4P420 L426P420-G422 PolarHBondContact O-N 2.87Å; P420-G422 VanDerWaalsContact O-N 3.14Å; G422-L426 WeakPolarHBondContact O-CD1 3.34Å; G422-L426 VanDerWaalsContact O-CG 3.24Å; G422-L426 WeakPolarHBondContact O-CG 3.24Å; G422-L426 PolarHBondContact O-N 3.13Å
423V86.2Confident81Confident5 Ų560.5 Ų60.53%0.0333%0.329CS..Hα-helixtrans-78.8-42.6173.8176.30000109.7L419 P420 P421 E425 L426 L427 F495 V497 L514L419-V423 HydrophobicContact CD1-CG1 4.22Å; P420-V423 HydrophobicContact CB-CG2 4.19Å; P420-V423 HydrophobicContact CG-CG2 4.27Å; P420-V423 WeakPolarHBondContact O-CA 3.39Å; P420-V423 WeakPolarHBondContact O-CB 3.48Å; P420-V423 PolarHBondContact O-N 2.79Å; P421-V423 VanDerWaalsContact C-N 3.27Å; P421-V423 PolarHBondContact O-N 2.99Å; V423-E425 VanDerWaalsContact C-N 3.33Å; V423-E425 PolarHBondContact O-N 3.29Å; V423-L426 PolarHBondContact O-N 2.73Å; V423-L426 VanDerWaalsContact O-N 3.12Å; V423-L427 HydrophobicContact CG1-CD1 3.98Å; V423-L427 HydrophobicContact CG1-CG 4.34Å; V423-L427 WeakPolarHBondContact O-CG 3.36Å; V423-L427 PolarHBondContact O-N 2.99Å; V423-F495 HydrophobicContact CG1-CD2 4.06Å; V423-V497 HydrophobicContact CG2-CG2 3.47Å; V423-V497 VanDerWaalsContact CG2-CG2 3.47Å; V423-L514 HydrophobicContact CG1-CD2 4.11Å
424E84.4Confident79.7Confident49 Ų4961.1 Ų61.123%0.22933%0.329CS..Hα-helixtrans-61.3-41.6176.9-62.8-162.1146.700111.8L419 P420 P421 L426 L427 N428 R452L419-E424 HydrophobicContact CB-CG 3.6Å; L419-E424 HydrophobicContact CD1-CG 4.25Å; P420-E424 PolarHBondContact O-N 2.91Å; P421-E424 PolarHBondContact O-N 3.2Å; E424-L426 VanDerWaalsContact C-N 3.31Å; E424-L426 PolarHBondContact O-N 2.69Å; E424-L427 PolarHBondContact O-N 3.5Å; E424-N428 WeakPolarHBondContact O-CB 3.35Å; E424-N428 VanDerWaalsContact O-CG 3.25Å; E424-N428 PolarHBondContact O-N 3.04Å; E424-N428 PolarHBondContact O-ND2 3.42Å; E424-R452 IonicContact OE1-CZ 3.16Å; E424-R452 IonicContact OE1-NE 2.7Å; E424-R452 PolarHBondContact OE1-NE 3.46Å; E424-R452 IonicContact OE1-NH2 2.66Å; E424-R452 PolarHBondContact OE1-NH2 3.38Å
425E81.9Confident78.1Confident116 Ų11661.8 Ų61.854%0.54234%0.344SS..Hα-helixtrans-57.2-42.6172.3-75.4174.5-166.400112.4P421 V423 K429P421-E425 WeakPolarHBondContact O-CG 3.41Å; P421-E425 PolarHBondContact O-N 3.18Å; V423-E425 VanDerWaalsContact C-N 3.33Å; V423-E425 PolarHBondContact O-N 3.29Å; E425-K429 VanDerWaalsContact O-CG 3.29Å; E425-K429 WeakPolarHBondContact O-CG 3.45Å; E425-K429 PolarHBondContact O-N 3.38Å
426L82.8Confident76.6Confident30 Ų3061.3 Ų61.316%0.15735%0.346CS..Hα-helixtrans-73.3-34.3-178.6-70.1171.3000112.6G422 V423 E424 V497 R512 L514G422-L426 WeakPolarHBondContact O-CD1 3.34Å; G422-L426 VanDerWaalsContact O-CG 3.24Å; G422-L426 WeakPolarHBondContact O-CG 3.24Å; G422-L426 PolarHBondContact O-N 3.13Å; V423-L426 PolarHBondContact O-N 2.73Å; V423-L426 VanDerWaalsContact O-N 3.12Å; E424-L426 VanDerWaalsContact C-N 3.31Å; E424-L426 PolarHBondContact O-N 2.69Å; L426-V497 HydrophobicContact CD1-CG1 4.05Å; L426-R512 HydrophobicContact CD1-CB 4.04Å; L426-R512 HydrophobicContact CD2-CB 4.46Å; L426-R512 WeakPolarHBondContact CD2-O 3.3Å; L426-L514 HydrophobicContact CB-CD1 3.59Å; L426-L514 HydrophobicContact CB-CD2 4.45Å; L426-L514 HydrophobicContact CB-CG 3.76Å; L426-L514 HydrophobicContact CD1-CD2 4.21Å; L426-L514 HydrophobicContact CD1-CG 3.95Å; L426-L514 HydrophobicContact CG-CG 4.49Å
427L82.4Confident75.1Confident31 Ų3160.9 Ų60.916%0.16234%0.339CS..Hα-helixtrans-69-45174.5-70.6170.8000111.3L419 V423 E424 K429 G430 V458 Y460 F495 L514L419-L427 HydrophobicContact CD1-CD1 3.59Å; V423-L427 HydrophobicContact CG1-CD1 3.98Å; V423-L427 HydrophobicContact CG1-CG 4.34Å; V423-L427 WeakPolarHBondContact O-CG 3.36Å; V423-L427 PolarHBondContact O-N 2.99Å; E424-L427 PolarHBondContact O-N 3.5Å; L427-K429 VanDerWaalsContact C-N 3.29Å; L427-K429 PolarHBondContact O-N 2.66Å; L427-G430 PolarHBondContact O-N 2.65Å; L427-V458 HydrophobicContact CD1-CG1 3.6Å; L427-Y460 HydrophobicContact CD2-CD2 3.68Å; L427-Y460 HydrophobicContact CD2-CE2 4.5Å; L427-Y460 HydrophobicContact CD2-CG 4.32Å; L427-F495 HydrophobicContact CD1-CE2 4.38Å; L427-F495 HydrophobicContact CD2-CD2 4.43Å; L427-F495 HydrophobicContact CD2-CE2 3.95Å; L427-L514 HydrophobicContact CD2-CD1 3.71Å; L427-L514 HydrophobicContact CG-CD1 3.92Å
428N75.5Confident73.3Confident71 Ų7164 Ų6438%0.3837%0.373SS..Hα-helixtrans-69.3-25.4-177.7-73.2-15000113.4E424 G430E424-N428 WeakPolarHBondContact O-CB 3.35Å; E424-N428 VanDerWaalsContact O-CG 3.25Å; E424-N428 PolarHBondContact O-N 3.04Å; E424-N428 PolarHBondContact O-ND2 3.42Å; N428-G430 PolarHBondContact O-N 3.28Å; N428-G430 VanDerWaalsContact O-N 3.16Å
429K69.4Low71.6Confident109 Ų10962.3 Ų62.347%0.47437%0.365SS..THydrogen-bonded Turntrans-57.1-29176.5-84.6174.4-175-168.50112E425 L427 Q431E425-K429 VanDerWaalsContact O-CG 3.29Å; E425-K429 WeakPolarHBondContact O-CG 3.45Å; E425-K429 PolarHBondContact O-N 3.38Å; L427-K429 VanDerWaalsContact C-N 3.29Å; L427-K429 PolarHBondContact O-N 2.66Å; K429-Q431 HydrophobicContact CB-CB 4.49Å; K429-Q431 HydrophobicContact CB-CG 4.35Å; K429-Q431 PolarHBondContact O-N 2.8Å
430G60.4Low69.8Low68 Ų6870.1 Ų70.170%0.70140%0.398SS*.  trans56.56.7179.200000114.6L427 N428 D432L427-G430 PolarHBondContact O-N 2.65Å; N428-G430 PolarHBondContact O-N 3.28Å; N428-G430 VanDerWaalsContact O-N 3.16Å; G430-D432 PolarHBondContact O-N 3.14Å
431Q61.1Low67.9Low84 Ų8474.4 Ų74.439%0.39342%0.418SS..  trans-73.3127.2-173-79.7175.7-13.400108.5K429 P433 D436K429-Q431 HydrophobicContact CB-CB 4.49Å; K429-Q431 HydrophobicContact CB-CG 4.35Å; K429-Q431 PolarHBondContact O-N 2.8Å; Q431-P433 WeakPolarHBondContact O-CD 3.45Å; Q431-D436 WeakPolarHBondContact CA-OD2 3.17Å; Q431-D436 HydrophobicContact CB-CB 4.19Å; Q431-D436 WeakPolarHBondContact CB-OD2 3.42Å; Q431-D436 HydrophobicContact CG-CB 4.23Å
432D61.5Low66Low66 Ų6673.5 Ų73.535%0.35341%0.411SS..  trans-71.6114.4167.9-178.3-10.1000107.3G430 L434 A435 D436G430-D432 PolarHBondContact O-N 3.14Å; D432-L434 PolarHBondContact O-N 3.23Å; D432-L434 WeakPolarHBondContact OD1-CB 3.19Å; D432-L434 PolarHBondContact OD1-N 2.91Å; D432-A435 HydrophobicContact CB-CB 3.86Å; D432-A435 PolarHBondContact O-N 3.2Å; D432-D436 PolarHBondContact N-OD2 3.06Å; D432-D436 WeakPolarHBondContact O-CB 3.47Å; D432-D436 PolarHBondContact O-N 2.8Å
433P62.8Low64.2Low22 Ų2277.4 Ų77.414%0.14344%0.441CS..THydrogen-bonded Turntrans-66.2-5.5-178.327.7-33.9000113.4Q431 R437 P463 C515Q431-P433 WeakPolarHBondContact O-CD 3.45Å; P433-R437 WeakPolarHBondContact O-CD 3.48Å; P433-R437 WeakPolarHBondContact O-CG 3.43Å; P433-R437 PolarHBondContact O-NE 3.01Å; P433-P463 HydrophobicContact CG-CG 3.68Å; P433-C515 WeakPolarHBondContact CG-SG 3.3Å
434L63.4Low62.4Low83 Ų8384 Ų8444%0.43547%0.47SS..THydrogen-bonded Turntrans-92.9-52.7166.2-78.8150.1000112.1D432 P463 H464 L517D432-L434 PolarHBondContact O-N 3.23Å; D432-L434 WeakPolarHBondContact OD1-CB 3.19Å; D432-L434 PolarHBondContact OD1-N 2.91Å; L434-P463 HydrophobicContact CD1-CB 3.92Å; L434-H464 WeakPolarHBondContact CD1-O 3.34Å; L434-L517 HydrophobicContact CD1-CD2 4.22Å; L434-L517 HydrophobicContact CD2-CD2 4.48Å; L434-L517 HydrophobicContact CG-CD2 4.02Å
435A58.7Low60.5Low74 Ų7485.4 Ų85.461%0.61249%0.485SS*.THydrogen-bonded Turntrans-72.3-38-173.500000113.3D432 R437D432-A435 HydrophobicContact CB-CB 3.86Å; D432-A435 PolarHBondContact O-N 3.2Å; A435-R437 VanDerWaalsContact C-N 3.31Å; A435-R437 PolarHBondContact O-N 2.89Å
436D62Low58.7Low53 Ų5388.1 Ų88.128%0.28350%0.502SS..THydrogen-bonded Turntrans-92.614.2-170.3-58.9-35.9000113.3Q431 D432 G438 E439Q431-D436 WeakPolarHBondContact CA-OD2 3.17Å; Q431-D436 HydrophobicContact CB-CB 4.19Å; Q431-D436 WeakPolarHBondContact CB-OD2 3.42Å; Q431-D436 HydrophobicContact CG-CB 4.23Å; D432-D436 PolarHBondContact N-OD2 3.06Å; D432-D436 WeakPolarHBondContact O-CB 3.47Å; D432-D436 PolarHBondContact O-N 2.8Å; D436-G438 PolarHBondContact O-N 3.29Å; D436-E439 PolarHBondContact O-N 3.1Å; D436-E439 VanDerWaalsContact O-N 3.15Å
437R60.1Low57.1Low99 Ų9993.7 Ų93.737%0.37453%0.527SS..THydrogen-bonded Turntrans-62.9-5.8-173.4-80179.3154.5-142.3-14.9116.3P433 A435 D521P433-R437 WeakPolarHBondContact O-CD 3.48Å; P433-R437 WeakPolarHBondContact O-CG 3.43Å; P433-R437 PolarHBondContact O-NE 3.01Å; A435-R437 VanDerWaalsContact C-N 3.31Å; A435-R437 PolarHBondContact O-N 2.89Å; R437-D521 IonicContact CZ-OD1 3.81Å; R437-D521 IonicContact CZ-OD2 3.2Å; R437-D521 IonicContact NH1-OD1 2.76Å; R437-D521 PolarHBondContact NH1-OD1 3.46Å; R437-D521 IonicContact NH1-OD2 2.94Å; R437-D521 PolarHBondContact NH1-OD2 3.44Å; R437-D521 IonicContact NH2-OD1 3.87Å; R437-D521 IonicContact NH2-OD2 2.64Å; R437-D521 PolarHBondContact NH2-OD2 2.84Å
438G54.2Low55.6Low70 Ų7098.1 Ų98.172%0.72256%0.558SS**THydrogen-bonded Turntrans-124.4-6.3178.500000114.5D436 K440D436-G438 PolarHBondContact O-N 3.29Å; G438-K440 PolarHBondContact O-N 3.35Å
439E51.6Low54.6Low97 Ų97100.6 Ų100.645%0.45357%0.571SS.*  trans-67.6103169.6-72.4-146.4138.300106.5D436 K444D436-E439 PolarHBondContact O-N 3.1Å; D436-E439 VanDerWaalsContact O-N 3.15Å; E439-K444 IonicContact OE1-NZ 3.76Å; E439-K444 PolarHBondContact OE1-NZ 2.85Å
440K49.1Very low54.3Low179 Ų17999.4 Ų99.478%0.77858%0.581SS**  trans-48.8151.6156.2-75.5-180175.9176.40106.2G438 T442G438-K440 PolarHBondContact O-N 3.35Å; K440-T442 PolarHBondContact O-N 3.42Å; K440-T442 PolarHBondContact O-OG1 3.3Å
441D49.1Very low54.8Low144 Ų144102 Ų10277%0.7759%0.586SS**  trans-58.762.8162.5-69.9-44000109.1A443D441-A443 PolarHBondContact O-N 2.88Å; D441-A443 VanDerWaalsContact O-N 3.11Å
442T45.9Very low55.7Low78 Ų78100.6 Ų100.648%0.47958%0.577SS.*  trans-60115.915842.20000101.9K440 K444K440-T442 PolarHBondContact O-N 3.42Å; K440-T442 PolarHBondContact O-OG1 3.3Å; T442-K444 PolarHBondContact O-N 3.01Å
443A46.1Very low56.8Low97 Ų97101.4 Ų101.480%0.80258%0.581SS**  trans-59.453.9171.100000111D441 S445D441-A443 PolarHBondContact O-N 2.88Å; D441-A443 VanDerWaalsContact O-N 3.11Å; A443-S445 PolarHBondContact O-N 2.98Å
444K47.2Very low58.1Low145 Ų145103.5 Ų103.563%0.6359%0.588SS**  trans-69.388.7165.2-75.7-178.2-175169.10104.5E439 T442E439-K444 IonicContact OE1-NZ 3.76Å; E439-K444 PolarHBondContact OE1-NZ 2.85Å; T442-K444 PolarHBondContact O-N 3.01Å
445S44.6Very low59.3Low77 Ų77100.5 Ų100.554%0.53857%0.573SS.*  trans54.485.2157.7-169.40000114.2A443 Q447A443-S445 PolarHBondContact O-N 2.98Å; S445-Q447 PolarHBondContact O-N 3.46Å; S445-Q447 WeakPolarHBondContact OG-CG 3.36Å
446L45.6Very low60.8Low174 Ų174101.8 Ų101.891%0.91156%0.562SS**  trans-62.160.6149.8-73155.7000109.1P448L446-P448 WeakPolarHBondContact O-CD 3.34Å
447Q48.1Very low62.1Low146 Ų14699.9 Ų99.968%0.68255%0.553SS**  trans-64.2122.3148.3-84.3174.212.300103.5S445 L449S445-Q447 PolarHBondContact O-N 3.46Å; S445-Q447 WeakPolarHBondContact OG-CG 3.36Å; Q447-L449 VanDerWaalsContact C-N 3.32Å; Q447-L449 PolarHBondContact O-N 2.92Å
448P50.5Low63.5Low125 Ų12595.6 Ų95.681%0.81254%0.538SS*.  trans-56.6106.8172.7-3.111.4000105.5L446 A450L446-P448 WeakPolarHBondContact O-CD 3.34Å; P448-A450 PolarHBondContact O-N 2.89Å
449L54.7Low65.1Low122 Ų12295.1 Ų95.164%0.63952%0.523SS*.PPolyproline II helixtrans-53.4137.1170.1-96.283.4000106.2Q447Q447-L449 VanDerWaalsContact C-N 3.32Å; Q447-L449 PolarHBondContact O-N 2.92Å
450A64.2Low66.8Low84 Ų8492.2 Ų92.269%0.69451%0.508SS*.PPolyproline II helixtrans-48.5135.3-17700000109.9P448 R452P448-A450 PolarHBondContact O-N 2.89Å; A450-R452 PolarHBondContact O-N 2.91Å
451P71.2Confident68.6Low124 Ų12492.7 Ų92.781%0.80551%0.505SS*.PPolyproline II helixtrans-53.8134.4-179.622.3-32.6000109.7N453P451-N453 PolarHBondContact O-N 3.1Å
452R79.4Confident70.5Confident53 Ų5385.9 Ų85.920%0.247%0.468CS..PPolyproline II helixtrans-54.8130.9179.4179.6177.770.7101.5-2.9109.2K417 E424 A450 K454K417-R452 PolarHBondContact O-NH2 3.31Å; E424-R452 IonicContact OE1-CZ 3.16Å; E424-R452 IonicContact OE1-NE 2.7Å; E424-R452 PolarHBondContact OE1-NE 3.46Å; E424-R452 IonicContact OE1-NH2 2.66Å; E424-R452 PolarHBondContact OE1-NH2 3.38Å; A450-R452 PolarHBondContact O-N 2.91Å; R452-K454 PolarHBondContact O-N 2.91Å
453N85.2Confident72.5Confident84 Ų8482.9 Ų82.945%0.44945%0.45SS..  trans-67.8103.8167.6-173.4-15.3000109P451 T455 R456P451-N453 PolarHBondContact O-N 3.1Å; N453-T455 PolarHBondContact O-N 2.97Å; N453-T455 PolarHBondContact OD1-N 2.75Å; N453-T455 VanDerWaalsContact OD1-N 3.14Å; N453-T455 PolarHBondContact OD1-OG1 2.88Å; N453-R456 HydrophobicContact CB-CG 4.36Å; N453-R456 PolarHBondContact O-N 3.25Å
454K88.4Confident74.3Confident66 Ų6684.8 Ų84.829%0.28744%0.442SS..THydrogen-bonded Turntrans-64-19.2-175.8-66.2-179.7171-173.40113.8E416 K417 E418 R452E416-K454 HydrophobicContact CB-CB 3.84Å; E416-K454 HydrophobicContact CB-CD 4.28Å; E416-K454 HydrophobicContact CG-CB 4Å; E416-K454 WeakPolarHBondContact OE2-CD 3.43Å; K417-K454 PolarHBondContact N-O 2.96Å; E418-K454 IonicContact OE1-NZ 2.81Å; E418-K454 PolarHBondContact OE1-NZ 2.89Å; R452-K454 PolarHBondContact O-N 2.91Å
455T89.3Confident76.3Confident19 Ų1980.2 Ų80.212%0.11743%0.425CS..THydrogen-bonded Turntrans-79.2-19.6179.665.70000113.3I388 Y389 L414 W415 E416 N453I388-T455 WeakPolarHBondContact CA-O 3.39Å; Y389-T455 PolarHBondContact N-O 3.29Å; L414-T455 HydrophobicContact CB-CG2 3.82Å; L414-T455 HydrophobicContact CD1-CG2 4.34Å; W415-T455 WeakPolarHBondContact O-CA 3.09Å; E416-T455 HydrophobicContact CG-CG2 4.02Å; N453-T455 PolarHBondContact O-N 2.97Å; N453-T455 PolarHBondContact OD1-N 2.75Å; N453-T455 VanDerWaalsContact OD1-N 3.14Å; N453-T455 PolarHBondContact OD1-OG1 2.88Å
456R89.6Confident78.4Confident101 Ų10176.5 Ų76.538%0.38140%0.399SS..BIsolated β-bridgetrans-82.8145.8178.9-70.8-171.8170.9-143.7-6.1111.5E386 G387 Y389 N453 V458E386-R456 IonicContact OE1-NH1 2.84Å; E386-R456 PolarHBondContact OE1-NH1 3.09Å; E386-R456 VanDerWaalsContact OE1-NH1 3.1Å; E386-R456 IonicContact OE2-CZ 2.97Å; E386-R456 IonicContact OE2-NH1 3.54Å; E386-R456 PolarHBondContact OE2-NH1 3.36Å; G387-R456 CarbonylContact O-C 3.6Å; G387-R456 WeakPolarHBondContact O-CA 3.48Å; Y389-R456 WeakPolarHBondContact CE2-O 3.26Å; N453-R456 HydrophobicContact CB-CG 4.36Å; N453-R456 PolarHBondContact O-N 3.25Å; R456-V458 PolarHBondContact O-N 2.95Å
457V90.4Very high80.5Confident14 Ų1468.2 Ų68.29%0.08536%0.356CS..  trans-60132.9175.5170.90000109.7G387 Y389 A400 I402 S459G387-V457 VanDerWaalsContact C-CG2 3.41Å; G387-V457 PolarHBondContact O-N 3.35Å; Y389-V457 HydrophobicContact CD1-CG2 4.34Å; Y389-V457 HydrophobicContact CE1-CG2 4.02Å; Y389-V457 HydrophobicContact CE2-CG2 4.34Å; A400-V457 HydrophobicContact CB-CG2 3.83Å; I402-V457 HydrophobicContact CD1-CG1 4.48Å; I402-V457 HydrophobicContact CG1-CG2 4.41Å; V457-S459 PolarHBondContact O-N 2.87Å
458V89.1Confident82.6Confident9 Ų961.3 Ų61.36%0.05532%0.323CS..  trans-78.9108.1178.9-172.40000108.1Y389 K417 L419 L427 R456 L489 F495Y389-V458 PolarHBondContact OH-N 2.89Å; K417-V458 HydrophobicContact CD-CG2 4.05Å; L419-V458 HydrophobicContact CD1-CG1 4.06Å; L419-V458 HydrophobicContact CD1-CG2 3.97Å; L427-V458 HydrophobicContact CD1-CG1 3.6Å; R456-V458 PolarHBondContact O-N 2.95Å; V458-L489 HydrophobicContact CB-CB 4.23Å; V458-L489 HydrophobicContact CB-CD1 3.96Å; V458-L489 HydrophobicContact CB-CG 4.2Å; V458-L489 HydrophobicContact CG1-CD1 4.05Å; V458-L489 HydrophobicContact CG1-CG 4.5Å; V458-L489 PolarHBondContact O-N 2.94Å; V458-F495 HydrophobicContact CG1-CE2 3.94Å
459S87.6Confident84.6Confident59 Ų5956.7 Ų56.741%0.41329%0.291SS..EExtended strand (participates in β ladder)trans-102.7139.4174.159.70000110.5V457 V487V457-S459 PolarHBondContact O-N 2.87Å; S459-V487 CarbonylContact C-O 3.55Å; S459-V487 VanDerWaalsContact CA-O 3.29Å; S459-V487 WeakPolarHBondContact CA-O 3.44Å
460Y87.8Confident86.3Confident37 Ų3750.9 Ų50.915%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-135.3120.4174.1-179.3-100.6000109.6L427 V462 V468 V487 F495 L514 C515L427-Y460 HydrophobicContact CD2-CD2 3.68Å; L427-Y460 HydrophobicContact CD2-CE2 4.5Å; L427-Y460 HydrophobicContact CD2-CG 4.32Å; Y460-V462 HydrophobicContact CD1-CG2 4.13Å; Y460-V462 HydrophobicContact CE1-CG2 4.38Å; Y460-V462 PolarHBondContact O-N 3.48Å; Y460-V468 HydrophobicContact CD1-CG2 3.99Å; Y460-V468 HydrophobicContact CE1-CG2 3.68Å; Y460-V487 PolarHBondContact N-O 2.93Å; Y460-V487 PolarHBondContact O-N 2.84Å; Y460-F495 VanDerWaalsContact CB-CZ 3.43Å; Y460-F495 HydrophobicContact CG-CZ 4.25Å; Y460-L514 HydrophobicContact CD2-CD1 4.35Å; Y460-L514 HydrophobicContact CE2-CD1 4.1Å; Y460-C515 HydrophobicContact CE1-CB 4.33Å
461R87.3Confident87.6Confident189 Ų18950.5 Ų50.571%0.71324%0.242SC*.EExtended strand (participates in β ladder)trans-79.3112.5176.6-174.4177.3-176.2129.50.9108.9P463 L486R461-P463 WeakPolarHBondContact O-CD 3.47Å; R461-L486 HydrophobicContact CB-CD1 4.04Å
462V88.4Confident88.5Confident0 Ų045.9 Ų45.90%021%0.21CC..PPolyproline II helixtrans-73.2126.1177.5-173.60000108.5Y460 A466 V468 P484 E485 V487Y460-V462 HydrophobicContact CD1-CG2 4.13Å; Y460-V462 HydrophobicContact CE1-CG2 4.38Å; Y460-V462 PolarHBondContact O-N 3.48Å; V462-A466 HydrophobicContact CG1-CB 3.96Å; V462-A466 WeakPolarHBondContact CG1-O 3.5Å; V462-V468 HydrophobicContact CB-CG2 4.43Å; V462-V468 HydrophobicContact CG1-CG2 4.02Å; V462-V468 HydrophobicContact CG2-CB 4.08Å; V462-V468 HydrophobicContact CG2-CG2 3.67Å; V462-P484 WeakPolarHBondContact O-CA 2.97Å; V462-E485 WeakPolarHBondContact CB-O 3.46Å; V462-E485 PolarHBondContact N-O 3.03Å; V462-V487 HydrophobicContact CG2-CG2 3.59Å
463P87.2Confident88.9Confident15 Ų1549.4 Ų49.410%0.09722%0.224CC..PPolyproline II helixtrans-61.5155.7177.5-22.632.7000112.2P433 L434 R461 N465 A466 G483P433-P463 HydrophobicContact CG-CG 3.68Å; L434-P463 HydrophobicContact CD1-CB 3.92Å; R461-P463 WeakPolarHBondContact O-CD 3.47Å; P463-N465 PolarHBondContact O-N 3.12Å; P463-A466 HydrophobicContact CB-CB 4.2Å; P463-A466 HydrophobicContact CG-CB 4.48Å; P463-A466 WeakPolarHBondContact O-CB 3.44Å; P463-A466 PolarHBondContact O-N 2.78Å; P463-G483 WeakPolarHBondContact O-CA 3.49Å
464H85.3Confident88.9Confident137 Ų13754 Ų5463%0.63424%0.236SC*.THydrogen-bonded Turntrans-56.2136.6176-175.374.1000110.6L434 A466L434-H464 WeakPolarHBondContact CD1-O 3.34Å; H464-A466 PolarHBondContact O-N 2.86Å
465N87.5Confident88.8Confident49 Ų4956.7 Ų56.726%0.26225%0.249SC..THydrogen-bonded Turntrans60.133.4179.3-15930.7000113.9P463 L518 G519P463-N465 PolarHBondContact O-N 3.12Å; N465-L518 WeakPolarHBondContact O-CB 3.45Å; N465-L518 PolarHBondContact O-N 2.98Å; N465-G519 PolarHBondContact ND2-O 2.75Å
466A89.5Confident88.7Confident0 Ų063.5 Ų63.50%028%0.277CS..EExtended strand (participates in β ladder)trans-122.8162170.200000110.4V462 P463 H464 F482 G483 C515 L516 L517V462-A466 HydrophobicContact CG1-CB 3.96Å; V462-A466 WeakPolarHBondContact CG1-O 3.5Å; P463-A466 HydrophobicContact CB-CB 4.2Å; P463-A466 HydrophobicContact CG-CB 4.48Å; P463-A466 WeakPolarHBondContact O-CB 3.44Å; P463-A466 PolarHBondContact O-N 2.78Å; H464-A466 PolarHBondContact O-N 2.86Å; A466-F482 WeakPolarHBondContact O-CA 3.41Å; A466-G483 PolarHBondContact O-N 3.17Å; A466-C515 HydrophobicContact CB-CB 4.25Å; A466-L516 CarbonylContact C-O 3.52Å; A466-L516 WeakPolarHBondContact CA-O 3.18Å; A466-L516 WeakPolarHBondContact CB-O 3.47Å; A466-L517 HydrophobicContact CB-CD2 3.95Å
467A90.4Very high88.7Confident0 Ų067 Ų670%029%0.29CS..EExtended strand (participates in β ladder)trans-129.3144.6174.900000110.3V480 V481 F482 C515 L516 L518 L561 F562A467-V480 HydrophobicContact CB-CG1 3.98Å; A467-V481 CarbonylContact C-O 3.55Å; A467-V481 VanDerWaalsContact CA-O 3.31Å; A467-V481 WeakPolarHBondContact CA-O 2.91Å; A467-F482 HydrophobicContact CB-CD1 3.82Å; A467-F482 HydrophobicContact CB-CE1 3.83Å; A467-C515 CarbonylContact O-C 3.6Å; A467-C515 WeakPolarHBondContact O-CA 3.32Å; A467-L516 PolarHBondContact N-O 2.93Å; A467-L516 PolarHBondContact O-N 3.19Å; A467-L518 HydrophobicContact CB-CD2 4.29Å; A467-L561 HydrophobicContact CB-CD2 3.61Å; A467-F562 HydrophobicContact CB-CE2 4.12Å; A467-F562 HydrophobicContact CB-CZ 4.17Å
468V91.5Very high88.6Confident0 Ų068.7 Ų68.70%031%0.306CS..EExtended strand (participates in β ladder)trans-124.3137.8173.8173.20000108.9Y460 V462 V470 V480 V481 F495 C515Y460-V468 HydrophobicContact CD1-CG2 3.99Å; Y460-V468 HydrophobicContact CE1-CG2 3.68Å; V462-V468 HydrophobicContact CB-CG2 4.43Å; V462-V468 HydrophobicContact CG1-CG2 4.02Å; V462-V468 HydrophobicContact CG2-CB 4.08Å; V462-V468 HydrophobicContact CG2-CG2 3.67Å; V468-V470 HydrophobicContact CG1-CG2 4.37Å; V468-V480 CarbonylContact O-C 3.58Å; V468-V480 WeakPolarHBondContact O-CA 3.25Å; V468-V481 PolarHBondContact N-O 3.47Å; V468-V481 PolarHBondContact O-N 2.89Å; V468-F495 HydrophobicContact CG1-CD1 3.51Å; V468-F495 HydrophobicContact CG1-CE1 3.8Å; V468-C515 HydrophobicContact CG2-CB 3.51Å
469Q91.8Very high88.6Confident29 Ų2973.9 Ų73.914%0.13633%0.325CS..EExtended strand (participates in β ladder)trans-101.7122.4173.6-175.6178.445.300110.2A478 R479 V480 T496 F562Q469-A478 HydrophobicContact CG-CB 4.04Å; Q469-R479 WeakPolarHBondContact CA-O 3.2Å; Q469-V480 HydrophobicContact CB-CG2 4.42Å; Q469-V480 HydrophobicContact CG-CG2 4.37Å; Q469-T496 WeakPolarHBondContact O-CB 3.48Å; Q469-T496 PolarHBondContact O-N 2.96Å; Q469-T496 PolarHBondContact O-OG1 2.87Å; Q469-F562 HydrophobicContact CB-CD1 3.64Å; Q469-F562 HydrophobicContact CB-CD2 3.94Å; Q469-F562 HydrophobicContact CB-CE1 3.62Å; Q469-F562 HydrophobicContact CB-CE2 3.93Å; Q469-F562 HydrophobicContact CB-CG 3.82Å; Q469-F562 HydrophobicContact CB-CZ 3.78Å; Q469-F562 HydrophobicContact CG-CG 4.34Å
470V92Very high88.8Confident0 Ų072.3 Ų72.30%031%0.313CS..EExtended strand (participates in β ladder)trans-106.1128.7174.2-1790000108.4V468 A478 R479 V487 L489 E493 Q494 F495V468-V470 HydrophobicContact CG1-CG2 4.37Å; V470-A478 CarbonylContact O-C 3.49Å; V470-A478 VanDerWaalsContact O-CA 3.3Å; V470-A478 WeakPolarHBondContact O-CA 3.28Å; V470-R479 HydrophobicContact CB-CG 4.07Å; V470-R479 PolarHBondContact N-O 3.31Å; V470-R479 PolarHBondContact O-N 3.45Å; V470-V487 HydrophobicContact CG2-CG1 3.66Å; V470-L489 HydrophobicContact CB-CD2 4.47Å; V470-L489 HydrophobicContact CG1-CD2 3.6Å; V470-L489 HydrophobicContact CG2-CD2 4Å; V470-E493 HydrophobicContact CG1-CB 3.63Å; V470-E493 HydrophobicContact CG1-CG 3.98Å; V470-Q494 CarbonylContact C-O 3.54Å; V470-Q494 WeakPolarHBondContact CA-O 3.14Å; V470-F495 HydrophobicContact CG2-CD1 4.15Å; V470-F495 HydrophobicContact CG2-CE1 4.16Å
471Y90.8Very high88.9Confident75 Ų7571.2 Ų71.229%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-107.2122.1178.1-169.4-94.4000110.1Y473 A478 E493 Q494Y471-Y473 AromaticContact CD1-CD1 3.95Å; Y471-Y473 HydrophobicContact CD1-CD1 3.95Å; Y471-Y473 AromaticContact CD1-CD2 3.92Å; Y471-Y473 HydrophobicContact CD1-CD2 3.92Å; Y471-Y473 AromaticContact CD1-CE1 3.94Å; Y471-Y473 HydrophobicContact CD1-CE1 3.94Å; Y471-Y473 AromaticContact CD1-CE2 3.89Å; Y471-Y473 HydrophobicContact CD1-CE2 3.89Å; Y471-Y473 AromaticContact CD1-CG 3.96Å; Y471-Y473 HydrophobicContact CD1-CG 3.96Å; Y471-Y473 AromaticContact CD1-CZ 3.93Å; Y471-Y473 AromaticContact CE1-CD1 3.74Å; Y471-Y473 HydrophobicContact CE1-CD1 3.74Å; Y471-Y473 HydrophobicContact CE1-CD2 4.48Å; Y471-Y473 AromaticContact CE1-CE1 3.94Å; Y471-Y473 HydrophobicContact CE1-CE1 3.94Å; Y471-Y473 HydrophobicContact CE1-CG 4.05Å; Y471-A478 HydrophobicContact CD2-CB 4.03Å; Y471-E493 CarbonylContact O-C 3.58Å; Y471-E493 WeakPolarHBondContact O-CA 3.25Å; Y471-Q494 PolarHBondContact N-O 2.84Å; Y471-Q494 PolarHBondContact O-N 2.97Å
472D90.5Very high89.1Confident28 Ų2863.5 Ų63.515%0.1528%0.281CS..EExtended strand (participates in β ladder)trans-91.1114.9171.3-172.9-30.5000109.4R474 E475 K476 R477 E493D472-R474 VanDerWaalsContact C-N 3.32Å; D472-R474 PolarHBondContact O-N 3.22Å; D472-R474 WeakPolarHBondContact OD1-CA 3.37Å; D472-R474 VanDerWaalsContact OD1-CB 3.29Å; D472-R474 WeakPolarHBondContact OD1-CB 3.32Å; D472-R474 PolarHBondContact OD1-N 2.77Å; D472-E475 HydrophobicContact CB-CB 4.38Å; D472-E475 PolarHBondContact OD1-N 3.02Å; D472-E475 VanDerWaalsContact OD1-N 3.13Å; D472-K476 WeakPolarHBondContact O-CA 3.4Å; D472-K476 PolarHBondContact O-N 2.83Å; D472-R477 PolarHBondContact N-O 3.08Å; D472-R477 PolarHBondContact O-N 2.75Å; D472-E493 HydrophobicContact CB-CG 4.12Å
473Y87.1Confident89Confident126 Ų12663.9 Ų63.949%0.49429%0.285SS..THydrogen-bonded Turntrans-73.5-22.6-179.4-75.8-86.6000113.8Y471 E492 Q494Y471-Y473 AromaticContact CD1-CD1 3.95Å; Y471-Y473 HydrophobicContact CD1-CD1 3.95Å; Y471-Y473 AromaticContact CD1-CD2 3.92Å; Y471-Y473 HydrophobicContact CD1-CD2 3.92Å; Y471-Y473 AromaticContact CD1-CE1 3.94Å; Y471-Y473 HydrophobicContact CD1-CE1 3.94Å; Y471-Y473 AromaticContact CD1-CE2 3.89Å; Y471-Y473 HydrophobicContact CD1-CE2 3.89Å; Y471-Y473 AromaticContact CD1-CG 3.96Å; Y471-Y473 HydrophobicContact CD1-CG 3.96Å; Y471-Y473 AromaticContact CD1-CZ 3.93Å; Y471-Y473 AromaticContact CE1-CD1 3.74Å; Y471-Y473 HydrophobicContact CE1-CD1 3.74Å; Y471-Y473 HydrophobicContact CE1-CD2 4.48Å; Y471-Y473 AromaticContact CE1-CE1 3.94Å; Y471-Y473 HydrophobicContact CE1-CE1 3.94Å; Y471-Y473 HydrophobicContact CE1-CG 4.05Å; Y473-E492 PolarHBondContact N-O 3.05Å; Y473-Q494 HydrophobicContact CD2-CG 4.15Å; Y473-Q494 HydrophobicContact CE2-CB 3.86Å; Y473-Q494 HydrophobicContact CE2-CG 3.63Å; Y473-Q494 PolarHBondContact OH-OE1 2.79Å; Y473-Q494 VanDerWaalsContact OH-OE1 3.12Å
474R85.5Confident89Confident182 Ų18267.2 Ų67.269%0.68731%0.307SS*.THydrogen-bonded Turntrans-78.4-49.1178.8-174.7-179.9-178.1165.44.2110.7D472 K476 E492D472-R474 VanDerWaalsContact C-N 3.32Å; D472-R474 PolarHBondContact O-N 3.22Å; D472-R474 WeakPolarHBondContact OD1-CA 3.37Å; D472-R474 VanDerWaalsContact OD1-CB 3.29Å; D472-R474 WeakPolarHBondContact OD1-CB 3.32Å; D472-R474 PolarHBondContact OD1-N 2.77Å; R474-K476 VanDerWaalsContact C-N 3.34Å; R474-E492 HydrophobicContact CB-CB 4Å; R474-E492 HydrophobicContact CB-CG 4.1Å
475E87Confident89.1Confident122 Ų12266.4 Ų66.457%0.5730%0.303SS*.THydrogen-bonded Turntrans-81.1-16.3177.8-64.6-164.6174.500113D472 R477D472-E475 HydrophobicContact CB-CB 4.38Å; D472-E475 PolarHBondContact OD1-N 3.02Å; D472-E475 VanDerWaalsContact OD1-N 3.13Å; E475-R477 HydrophobicContact CB-CB 4.28Å; E475-R477 HydrophobicContact CB-CG 4.11Å; E475-R477 WeakPolarHBondContact O-CG 3.46Å; E475-R477 PolarHBondContact O-N 2.77Å
476K87.6Confident89.2Confident162 Ų16266.8 Ų66.870%0.70431%0.305SS*.THydrogen-bonded Turntrans56.833.5-170.6-57.7-179.6179.4178.60112.5D472 R474D472-K476 WeakPolarHBondContact O-CA 3.4Å; D472-K476 PolarHBondContact O-N 2.83Å; R474-K476 VanDerWaalsContact C-N 3.34Å
477R88.1Confident89.1Confident173 Ų17367 Ų6765%0.65331%0.306SS*.EExtended strand (participates in β ladder)trans-117.3139.7-178.7-63.2-178.983.3-174.84.1109.7D472 E475D472-R477 PolarHBondContact N-O 3.08Å; D472-R477 PolarHBondContact O-N 2.75Å; E475-R477 HydrophobicContact CB-CB 4.28Å; E475-R477 HydrophobicContact CB-CG 4.11Å; E475-R477 WeakPolarHBondContact O-CG 3.46Å; E475-R477 PolarHBondContact O-N 2.77Å
478A88.4Confident89.1Confident51 Ų5168.4 Ų68.442%0.42132%0.316SS..EExtended strand (participates in β ladder)trans-100.6137.2170.700000109.3Q469 V470 Y471Q469-A478 HydrophobicContact CG-CB 4.04Å; V470-A478 CarbonylContact O-C 3.49Å; V470-A478 VanDerWaalsContact O-CA 3.3Å; V470-A478 WeakPolarHBondContact O-CA 3.28Å; Y471-A478 HydrophobicContact CD2-CB 4.03Å
479R90.2Very high89.1Confident118 Ų11868.4 Ų68.445%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-117.9143.7168.264.1-179.8175.9137.51.7110Q469 V470 E493Q469-R479 WeakPolarHBondContact CA-O 3.2Å; V470-R479 HydrophobicContact CB-CG 4.07Å; V470-R479 PolarHBondContact N-O 3.31Å; V470-R479 PolarHBondContact O-N 3.45Å; R479-E493 IonicContact CZ-OE1 4Å; R479-E493 VanDerWaalsContact CZ-OE1 3.24Å; R479-E493 IonicContact CZ-OE2 3.78Å; R479-E493 IonicContact NE-OE1 3.56Å; R479-E493 PolarHBondContact NE-OE1 3.13Å; R479-E493 IonicContact NE-OE2 3.87Å; R479-E493 VanDerWaalsContact NH2-CD 3.31Å; R479-E493 IonicContact NH2-OE1 2.85Å; R479-E493 PolarHBondContact NH2-OE1 2.9Å; R479-E493 IonicContact NH2-OE2 3.88Å; R479-E493 PolarHBondContact NH2-OE2 2.63Å
480V90.6Very high89Confident26 Ų2667.9 Ų67.916%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-108.4130.6177.2177.40000108.3A467 V468 Q469 F482 F562A467-V480 HydrophobicContact CB-CG1 3.98Å; V468-V480 CarbonylContact O-C 3.58Å; V468-V480 WeakPolarHBondContact O-CA 3.25Å; Q469-V480 HydrophobicContact CB-CG2 4.42Å; Q469-V480 HydrophobicContact CG-CG2 4.37Å; V480-F482 HydrophobicContact CG1-CE2 4.31Å; V480-F482 HydrophobicContact CG1-CZ 4.21Å; V480-F562 HydrophobicContact CB-CE2 4.43Å; V480-F562 HydrophobicContact CG1-CD2 4.43Å; V480-F562 HydrophobicContact CG1-CE2 3.72Å; V480-F562 HydrophobicContact CG2-CD2 3.79Å; V480-F562 HydrophobicContact CG2-CE2 3.84Å
481V91Very high88.8Confident13 Ų1369 Ų698%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-116.9134.7177.9-175.20000109.2A467 V468 E485 V487A467-V481 CarbonylContact C-O 3.55Å; A467-V481 VanDerWaalsContact CA-O 3.31Å; A467-V481 WeakPolarHBondContact CA-O 2.91Å; V468-V481 PolarHBondContact N-O 3.47Å; V468-V481 PolarHBondContact O-N 2.89Å; V481-E485 HydrophobicContact CG1-CB 3.95Å; V481-E485 HydrophobicContact CG1-CG 4.08Å; V481-E485 WeakPolarHBondContact CG1-OE2 3.37Å; V481-V487 HydrophobicContact CB-CG2 3.57Å; V481-V487 HydrophobicContact CG1-CG2 3.51Å; V481-V487 HydrophobicContact CG2-CG2 3.9Å
482F90.8Very high88.7Confident28 Ų2869.3 Ų69.312%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-100.9139.6-178.9-68.4-78.5000110.9A466 A467 V480 E485 L518 R552 T558 L561A466-F482 WeakPolarHBondContact O-CA 3.41Å; A467-F482 HydrophobicContact CB-CD1 3.82Å; A467-F482 HydrophobicContact CB-CE1 3.83Å; V480-F482 HydrophobicContact CG1-CE2 4.31Å; V480-F482 HydrophobicContact CG1-CZ 4.21Å; F482-E485 VanDerWaalsContact O-CB 3.27Å; F482-E485 WeakPolarHBondContact O-CB 3.19Å; F482-E485 PolarHBondContact O-N 2.97Å; F482-L518 HydrophobicContact CD1-CD1 3.88Å; F482-L518 HydrophobicContact CE1-CD1 3.92Å; F482-L518 HydrophobicContact CE1-CD2 4.46Å; F482-R552 HydrophobicContact CD2-CB 4.27Å; F482-R552 HydrophobicContact CE2-CB 3.94Å; F482-R552 HydrophobicContact CE2-CG 4.28Å; F482-R552 HydrophobicContact CZ-CB 4.43Å; F482-R552 HydrophobicContact CZ-CG 4.33Å; F482-T558 HydrophobicContact CE2-CG2 3.61Å; F482-T558 HydrophobicContact CZ-CG2 3.78Å; F482-L561 HydrophobicContact CE1-CD2 4.25Å
483G87.1Confident88.8Confident8 Ų868.8 Ų68.88%0.08233%0.326CS..THydrogen-bonded Turntrans-70.1154.5174.200000113.1P463 A466P463-G483 WeakPolarHBondContact O-CA 3.49Å; A466-G483 PolarHBondContact O-N 3.17Å
484P87.4Confident89Confident84 Ų8465.2 Ų65.255%0.54531%0.314SS..THydrogen-bonded Turncis-93.535.21437.9-36.7000115.1V462V462-P484 WeakPolarHBondContact O-CA 2.97Å
485E86.8Confident89.3Confident121 Ų12157 Ų5757%0.56528%0.283SS*.PPolyproline II helixtrans-73.8146.7-179.3-164.7171.1176.400113.1V462 V481 F482V462-E485 WeakPolarHBondContact CB-O 3.46Å; V462-E485 PolarHBondContact N-O 3.03Å; V481-E485 HydrophobicContact CG1-CB 3.95Å; V481-E485 HydrophobicContact CG1-CG 4.08Å; V481-E485 WeakPolarHBondContact CG1-OE2 3.37Å; F482-E485 VanDerWaalsContact O-CB 3.27Å; F482-E485 WeakPolarHBondContact O-CB 3.19Å; F482-E485 PolarHBondContact O-N 2.97Å
486L88.1Confident89.4Confident57 Ų5753.2 Ų53.230%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-87.5120.9172.9-174.372.6000109.4N385 R461N385-L486 HydrophobicContact CB-CD2 3.66Å; N385-L486 WeakPolarHBondContact OD1-CD2 3.3Å; R461-L486 HydrophobicContact CB-CD1 4.04Å
487V89.2Confident89.5Confident4 Ų448.2 Ų48.22%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-94.9118.3177.6177.40000109.4S459 Y460 V462 V470 V481 L489 F495S459-V487 CarbonylContact C-O 3.55Å; S459-V487 VanDerWaalsContact CA-O 3.29Å; S459-V487 WeakPolarHBondContact CA-O 3.44Å; Y460-V487 PolarHBondContact N-O 2.93Å; Y460-V487 PolarHBondContact O-N 2.84Å; V462-V487 HydrophobicContact CG2-CG2 3.59Å; V470-V487 HydrophobicContact CG2-CG1 3.66Å; V481-V487 HydrophobicContact CB-CG2 3.57Å; V481-V487 HydrophobicContact CG1-CG2 3.51Å; V481-V487 HydrophobicContact CG2-CG2 3.9Å; V487-L489 HydrophobicContact CG1-CD2 4.44Å; V487-F495 HydrophobicContact CB-CE1 4.47Å; V487-F495 HydrophobicContact CG1-CE1 3.95Å; V487-F495 HydrophobicContact CG1-CZ 4.41Å
488S89.8Confident89.5Confident29 Ų2940.4 Ų40.420%0.20322%0.223CC..EExtended strand (participates in β ladder)trans-101.5122.5170.2-63.20000109.8
489L91.4Very high89.6Confident1 Ų139.2 Ų39.21%0.00521%0.212CC..PPolyproline II helixtrans-76129.7178.3-65.8-173.4000111.5Y389 L419 V458 V470 V487 E493 F495Y389-L489 WeakPolarHBondContact CE1-O 3.38Å; Y389-L489 PolarHBondContact OH-O 3.35Å; L419-L489 HydrophobicContact CD2-CD1 4.38Å; V458-L489 HydrophobicContact CB-CB 4.23Å; V458-L489 HydrophobicContact CB-CD1 3.96Å; V458-L489 HydrophobicContact CB-CG 4.2Å; V458-L489 HydrophobicContact CG1-CD1 4.05Å; V458-L489 HydrophobicContact CG1-CG 4.5Å; V458-L489 PolarHBondContact O-N 2.94Å; V470-L489 HydrophobicContact CB-CD2 4.47Å; V470-L489 HydrophobicContact CG1-CD2 3.6Å; V470-L489 HydrophobicContact CG2-CD2 4Å; V487-L489 HydrophobicContact CG1-CD2 4.44Å; L489-E493 HydrophobicContact CB-CB 4.37Å; L489-E493 HydrophobicContact CD2-CB 4.12Å; L489-F495 HydrophobicContact CD1-CD2 3.74Å; L489-F495 HydrophobicContact CD1-CE2 3.48Å; L489-F495 VanDerWaalsContact CD1-CE2 3.48Å; L489-F495 HydrophobicContact CD1-CG 4.41Å; L489-F495 HydrophobicContact CD1-CZ 3.96Å; L489-F495 HydrophobicContact CD2-CD1 4.17Å; L489-F495 HydrophobicContact CD2-CD2 4.47Å; L489-F495 HydrophobicContact CD2-CE1 3.82Å; L489-F495 HydrophobicContact CD2-CE2 4.13Å; L489-F495 HydrophobicContact CD2-CG 4.47Å; L489-F495 HydrophobicContact CD2-CZ 3.78Å; L489-F495 HydrophobicContact CG-CD2 4.4Å; L489-F495 HydrophobicContact CG-CE1 4.31Å; L489-F495 HydrophobicContact CG-CE2 3.81Å; L489-F495 HydrophobicContact CG-CZ 3.73Å
490G90Very high89.5Confident17 Ų1734.7 Ų34.718%0.17520%0.196CC..PPolyproline II helixtrans-63.4169.416100000112.3K417 E492 E493K417-G490 PolarHBondContact NZ-O 3.38Å; G490-E492 VanDerWaalsContact C-N 3.34Å; G490-E492 PolarHBondContact O-N 3.42Å; G490-E493 PolarHBondContact N-OE2 3.24Å; G490-E493 PolarHBondContact O-N 2.63Å
491P88Confident89.5Confident25 Ų2533.9 Ų33.916%0.16219%0.191CC..THydrogen-bonded Turntrans-61.3-39.7-177.223.3-32.7000113Y389 V398 W415 K417Y389-P491 HydrophobicContact CD1-CB 4.26Å; Y389-P491 HydrophobicContact CE1-CB 4.44Å; V398-P491 HydrophobicContact CB-CB 4.03Å; V398-P491 HydrophobicContact CB-CG 4.42Å; V398-P491 HydrophobicContact CG1-CB 3.63Å; V398-P491 HydrophobicContact CG1-CG 4.31Å; W415-P491 HydrophobicContact CZ3-CB 4.17Å; K417-P491 PolarHBondContact NZ-O 3.22Å
492E88.9Confident89.3Confident80 Ų8034.4 Ų34.437%0.37420%0.197SC..THydrogen-bonded Turntrans-96.66-178.7-54.1-57155.600113.6Y473 R474 G490Y473-E492 PolarHBondContact N-O 3.05Å; R474-E492 HydrophobicContact CB-CB 4Å; R474-E492 HydrophobicContact CB-CG 4.1Å; G490-E492 VanDerWaalsContact C-N 3.34Å; G490-E492 PolarHBondContact O-N 3.42Å
493E91.7Very high89Confident17 Ų1735 Ų358%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-92.6142.8179.4-69.1-168.8142.600111.8K417 V470 Y471 D472 R479 L489 G490K417-E493 WeakPolarHBondContact CE-O 3.49Å; K417-E493 PolarHBondContact NZ-O 3.39Å; V470-E493 HydrophobicContact CG1-CB 3.63Å; V470-E493 HydrophobicContact CG1-CG 3.98Å; Y471-E493 CarbonylContact O-C 3.58Å; Y471-E493 WeakPolarHBondContact O-CA 3.25Å; D472-E493 HydrophobicContact CB-CG 4.12Å; R479-E493 IonicContact CZ-OE1 4Å; R479-E493 VanDerWaalsContact CZ-OE1 3.24Å; R479-E493 IonicContact CZ-OE2 3.78Å; R479-E493 IonicContact NE-OE1 3.56Å; R479-E493 PolarHBondContact NE-OE1 3.13Å; R479-E493 IonicContact NE-OE2 3.87Å; R479-E493 VanDerWaalsContact NH2-CD 3.31Å; R479-E493 IonicContact NH2-OE1 2.85Å; R479-E493 PolarHBondContact NH2-OE1 2.9Å; R479-E493 IonicContact NH2-OE2 3.88Å; R479-E493 PolarHBondContact NH2-OE2 2.63Å; L489-E493 HydrophobicContact CB-CB 4.37Å; L489-E493 HydrophobicContact CD2-CB 4.12Å; G490-E493 PolarHBondContact N-OE2 3.24Å; G490-E493 PolarHBondContact O-N 2.63Å
494Q91Very high89Confident51 Ų5141.5 Ų41.524%0.23823%0.233CC..EExtended strand (participates in β ladder)trans-135.8155.9170.8-59.9-178.2-700111.6V470 Y471 Y473V470-Q494 CarbonylContact C-O 3.54Å; V470-Q494 WeakPolarHBondContact CA-O 3.14Å; Y471-Q494 PolarHBondContact N-O 2.84Å; Y471-Q494 PolarHBondContact O-N 2.97Å; Y473-Q494 HydrophobicContact CD2-CG 4.15Å; Y473-Q494 HydrophobicContact CE2-CB 3.86Å; Y473-Q494 HydrophobicContact CE2-CG 3.63Å; Y473-Q494 PolarHBondContact OH-OE1 2.79Å; Y473-Q494 VanDerWaalsContact OH-OE1 3.12Å
495F91.1Very high89Confident9 Ų940.9 Ų40.94%0.03923%0.229CC..EExtended strand (participates in β ladder)trans-71.9134.9170.4-65.8-63.4000111.2V423 L427 V458 Y460 V468 V470 V487 L489 V497 L514V423-F495 HydrophobicContact CG1-CD2 4.06Å; L427-F495 HydrophobicContact CD1-CE2 4.38Å; L427-F495 HydrophobicContact CD2-CD2 4.43Å; L427-F495 HydrophobicContact CD2-CE2 3.95Å; V458-F495 HydrophobicContact CG1-CE2 3.94Å; Y460-F495 VanDerWaalsContact CB-CZ 3.43Å; Y460-F495 HydrophobicContact CG-CZ 4.25Å; V468-F495 HydrophobicContact CG1-CD1 3.51Å; V468-F495 HydrophobicContact CG1-CE1 3.8Å; V470-F495 HydrophobicContact CG2-CD1 4.15Å; V470-F495 HydrophobicContact CG2-CE1 4.16Å; V487-F495 HydrophobicContact CB-CE1 4.47Å; V487-F495 HydrophobicContact CG1-CE1 3.95Å; V487-F495 HydrophobicContact CG1-CZ 4.41Å; L489-F495 HydrophobicContact CD1-CD2 3.74Å; L489-F495 HydrophobicContact CD1-CE2 3.48Å; L489-F495 VanDerWaalsContact CD1-CE2 3.48Å; L489-F495 HydrophobicContact CD1-CG 4.41Å; L489-F495 HydrophobicContact CD1-CZ 3.96Å; L489-F495 HydrophobicContact CD2-CD1 4.17Å; L489-F495 HydrophobicContact CD2-CD2 4.47Å; L489-F495 HydrophobicContact CD2-CE1 3.82Å; L489-F495 HydrophobicContact CD2-CE2 4.13Å; L489-F495 HydrophobicContact CD2-CG 4.47Å; L489-F495 HydrophobicContact CD2-CZ 3.78Å; L489-F495 HydrophobicContact CG-CD2 4.4Å; L489-F495 HydrophobicContact CG-CE1 4.31Å; L489-F495 HydrophobicContact CG-CE2 3.81Å; L489-F495 HydrophobicContact CG-CZ 3.73Å; F495-V497 PolarHBondContact O-N 3Å; F495-L514 HydrophobicContact CB-CD2 3.63Å; F495-L514 HydrophobicContact CD2-CD2 4.32Å; F495-L514 HydrophobicContact CG-CD2 4.09Å
496T89.3Confident89Confident43 Ų4337 Ų3726%0.26421%0.211SC..PPolyproline II helixtrans-79.2116.8168.6-53.60000108.8Q469Q469-T496 WeakPolarHBondContact O-CB 3.48Å; Q469-T496 PolarHBondContact O-N 2.96Å; Q469-T496 PolarHBondContact O-OG1 2.87Å
497V89.5Confident89.1Confident58 Ų5842.8 Ų42.835%0.35223%0.228SC..PPolyproline II helixtrans-82.4121.8-179.8-177.50000110.1V423 L426 F495 R512 L514V423-V497 HydrophobicContact CG2-CG2 3.47Å; V423-V497 VanDerWaalsContact CG2-CG2 3.47Å; L426-V497 HydrophobicContact CD1-CG1 4.05Å; F495-V497 PolarHBondContact O-N 3Å; V497-R512 HydrophobicContact CG1-CB 4.11Å; V497-R512 HydrophobicContact CG1-CG 4.5Å; V497-L514 HydrophobicContact CG2-CD2 4.29Å
498L89.2Confident89Confident8 Ų846.3 Ų46.34%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-79.2134.9171.9-62.5173.5000110.1L500 R512 A513 L516 F562L498-L500 HydrophobicContact CB-CD2 4.37Å; L498-L500 HydrophobicContact CB-CG 4.27Å; L498-R512 CarbonylContact O-C 3.53Å; L498-R512 VanDerWaalsContact O-CA 3.28Å; L498-R512 WeakPolarHBondContact O-CA 3.43Å; L498-A513 WeakPolarHBondContact CB-O 3.46Å; L498-A513 PolarHBondContact N-O 3.45Å; L498-A513 PolarHBondContact O-N 2.92Å; L498-L516 HydrophobicContact CD1-CB 3.75Å; L498-L516 HydrophobicContact CD1-CD1 3.88Å; L498-L516 HydrophobicContact CD1-CG 4.44Å; L498-F562 HydrophobicContact CD1-CE1 4.2Å; L498-F562 HydrophobicContact CD2-CD1 3.85Å; L498-F562 HydrophobicContact CD2-CE1 4.06Å; L498-F562 HydrophobicContact CG-CE1 4.39Å
499S89.4Confident88.8Confident27 Ų2750.9 Ų50.919%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-116.692.3176.3-165.60000109.4H509 D566S499-H509 WeakPolarHBondContact OG-CA 3.42Å; S499-H509 WeakPolarHBondContact OG-CB 3.37Å; S499-H509 PolarHBondContact OG-ND1 2.66Å; S499-D566 WeakPolarHBondContact O-CB 3.26Å
500L90Very high88.5Confident22 Ų2253.7 Ų53.712%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-95.3145.4-171.1-57.7177.8000111.8L498 A510 R511 D566 F567L498-L500 HydrophobicContact CB-CD2 4.37Å; L498-L500 HydrophobicContact CB-CG 4.27Å; L500-A510 PolarHBondContact O-N 3.49Å; L500-R511 PolarHBondContact N-O 2.96Å; L500-R511 PolarHBondContact O-N 3.45Å; L500-D566 WeakPolarHBondContact CA-OD1 3.22Å; L500-F567 HydrophobicContact CD1-CE1 4.25Å; L500-F567 HydrophobicContact CD2-CD1 3.76Å; L500-F567 HydrophobicContact CD2-CE1 3.72Å
501S90.5Very high88.3Confident9 Ų958.2 Ų58.26%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-66.5128.1168.5-78.30000111.5K506 R507 P508 D566 V568 G569S501-K506 WeakPolarHBondContact O-CD 3.34Å; S501-R507 VanDerWaalsContact CA-O 3.22Å; S501-R507 WeakPolarHBondContact CA-O 3.35Å; S501-P508 WeakPolarHBondContact OG-CA 3.36Å; S501-D566 WeakPolarHBondContact CB-OD2 3.31Å; S501-D566 PolarHBondContact N-OD1 2.91Å; S501-D566 PolarHBondContact N-OD2 3.38Å; S501-D566 PolarHBondContact OG-OD2 3.17Å; S501-V568 WeakPolarHBondContact O-CG1 3.44Å; S501-G569 VanDerWaalsContact OG-CA 3.32Å; S501-G569 WeakPolarHBondContact OG-CA 3.43Å
502A86Confident88.3Confident24 Ų2464.4 Ų64.420%0.19832%0.324CS..EExtended strand (participates in β ladder)trans-138.7166.1179.600000112.2R507 A510 R511A502-R507 PolarHBondContact N-O 3.43Å; A502-R507 PolarHBondContact O-N 3.38Å; A502-A510 HydrophobicContact CB-CB 3.85Å; A502-R511 HydrophobicContact CB-CB 3.75Å
503G85.1Confident88.2Confident40 Ų4061.4 Ų61.441%0.41231%0.313SS..THydrogen-bonded Turntrans95.6178.4-175.200000114.7P505 K506G503-P505 CarbonylContact C-O 3.6Å; G503-P505 VanDerWaalsContact C-O 3.24Å; G503-P505 CarbonylContact O-C 3.52Å; G503-K506 PolarHBondContact O-NZ 2.85Å
504R86Confident88Confident145 Ų14560.9 Ų60.955%0.54731%0.311SS..THydrogen-bonded Turntrans-137.2100.5178.6-69.5-176.2-173.3176.54.4108.6T524 V526R504-T524 PolarHBondContact NE-OG1 2.98Å; R504-T524 PolarHBondContact NH2-OG1 2.93Å; R504-T524 VanDerWaalsContact NH2-OG1 3.1Å; R504-V526 HydrophobicContact CB-CG2 3.79Å; R504-V526 HydrophobicContact CG-CG2 4.46Å
505P87.3Confident87.9Confident71 Ų7158.8 Ų58.846%0.46130%0.302SS..THydrogen-bonded Turncis-66.1159.8-1.729.7-36.2000112.9G503 R507 V526G503-P505 CarbonylContact C-O 3.6Å; G503-P505 VanDerWaalsContact C-O 3.24Å; G503-P505 CarbonylContact O-C 3.52Å; P505-R507 PolarHBondContact O-N 3.44Å; P505-V526 HydrophobicContact CB-CB 4.26Å
506K87.9Confident87.8Confident41 Ų4158.6 Ų58.618%0.17830%0.301CS..THydrogen-bonded Turntrans-63120.8179.1-73.9-81.6178.7-93.60111.4S501 G503 T524 D525 V568S501-K506 WeakPolarHBondContact O-CD 3.34Å; G503-K506 PolarHBondContact O-NZ 2.85Å; K506-T524 WeakPolarHBondContact CE-O 3.22Å; K506-T524 PolarHBondContact NZ-O 3.04Å; K506-D525 HydrophobicContact CG-CB 3.98Å; K506-D525 WeakPolarHBondContact CG-OD1 3.49Å; K506-D525 PolarHBondContact N-OD1 3.03Å; K506-V568 HydrophobicContact CD-CG1 3.96Å
507R88.6Confident87.8Confident177 Ų17757.6 Ų57.667%0.66829%0.294SS*.EExtended strand (participates in β ladder)trans-103.5133.6175.4-63-179.5-176.8177.30.2109.6S501 A502 P505 A510S501-R507 VanDerWaalsContact CA-O 3.22Å; S501-R507 WeakPolarHBondContact CA-O 3.35Å; A502-R507 PolarHBondContact N-O 3.43Å; A502-R507 PolarHBondContact O-N 3.38Å; P505-R507 PolarHBondContact O-N 3.44Å; R507-A510 HydrophobicContact CB-CB 4.19Å; R507-A510 WeakPolarHBondContact O-CB 3.33Å
508P88.2Confident87.9Confident78 Ų7855.1 Ų55.151%0.50628%0.279SS..EExtended strand (participates in β ladder)trans-64.1147.5178.828.3-34.6000111.3S501 A510S501-P508 WeakPolarHBondContact OG-CA 3.36Å; P508-A510 PolarHBondContact O-N 2.94Å; P508-A510 VanDerWaalsContact O-N 3.11Å
509H86.4Confident87.7Confident126 Ų12655.2 Ų55.258%0.58328%0.282SS*.EExtended strand (participates in β ladder)trans59.317.8177-50.8-62.9000116S499S499-H509 WeakPolarHBondContact OG-CA 3.42Å; S499-H509 WeakPolarHBondContact OG-CB 3.37Å; S499-H509 PolarHBondContact OG-ND1 2.66Å
510A84.9Confident87.7Confident60 Ų6059.7 Ų59.750%0.49631%0.31SS..EExtended strand (participates in β ladder)trans-77.9-21.1-174.600000113.8L500 A502 R507 P508L500-A510 PolarHBondContact O-N 3.49Å; A502-A510 HydrophobicContact CB-CB 3.85Å; R507-A510 HydrophobicContact CB-CB 4.19Å; R507-A510 WeakPolarHBondContact O-CB 3.33Å; P508-A510 PolarHBondContact O-N 2.94Å; P508-A510 VanDerWaalsContact O-N 3.11Å
511R85.7Confident87.7Confident112 Ų11259.9 Ų59.942%0.42331%0.311SS..EExtended strand (participates in β ladder)trans-129.1128.1175.4-172.7176.6-175.4-177.62.8110.5L500 A502L500-R511 PolarHBondContact N-O 2.96Å; L500-R511 PolarHBondContact O-N 3.45Å; A502-R511 HydrophobicContact CB-CB 3.75Å
512R86.8Confident87.6Confident155 Ų15564.7 Ų64.759%0.58533%0.331SS*.EExtended strand (participates in β ladder)trans-99.9139.4170.4-61.9179.4-178.3172.7-1.8109.6L426 V497 L498L426-R512 HydrophobicContact CD1-CB 4.04Å; L426-R512 HydrophobicContact CD2-CB 4.46Å; L426-R512 WeakPolarHBondContact CD2-O 3.3Å; V497-R512 HydrophobicContact CG1-CB 4.11Å; V497-R512 HydrophobicContact CG1-CG 4.5Å; L498-R512 CarbonylContact O-C 3.53Å; L498-R512 VanDerWaalsContact O-CA 3.28Å; L498-R512 WeakPolarHBondContact O-CA 3.43Å
513A87.1Confident87.8Confident16 Ų1664.2 Ų64.213%0.13233%0.325CS..EExtended strand (participates in β ladder)trans-143.9149179.800000111L498L498-A513 WeakPolarHBondContact CB-O 3.46Å; L498-A513 PolarHBondContact N-O 3.45Å; L498-A513 PolarHBondContact O-N 2.92Å
514L87.3Confident88Confident7 Ų763 Ų634%0.03731%0.309CS..SBendtrans-89.4-29.4175.2-70169.8000112.7V423 L426 L427 Y460 F495 V497V423-L514 HydrophobicContact CG1-CD2 4.11Å; L426-L514 HydrophobicContact CB-CD1 3.59Å; L426-L514 HydrophobicContact CB-CD2 4.45Å; L426-L514 HydrophobicContact CB-CG 3.76Å; L426-L514 HydrophobicContact CD1-CD2 4.21Å; L426-L514 HydrophobicContact CD1-CG 3.95Å; L426-L514 HydrophobicContact CG-CG 4.49Å; L427-L514 HydrophobicContact CD2-CD1 3.71Å; L427-L514 HydrophobicContact CG-CD1 3.92Å; Y460-L514 HydrophobicContact CD2-CD1 4.35Å; Y460-L514 HydrophobicContact CE2-CD1 4.1Å; F495-L514 HydrophobicContact CB-CD2 3.63Å; F495-L514 HydrophobicContact CD2-CD2 4.32Å; F495-L514 HydrophobicContact CG-CD2 4.09Å; V497-L514 HydrophobicContact CG2-CD2 4.29Å
515C88.7Confident88.3Confident7 Ų756.7 Ų56.75%0.04729%0.287CS..SBendtrans-113.8147.5177.767.10000112.2P433 Y460 A466 A467 V468P433-C515 WeakPolarHBondContact CG-SG 3.3Å; Y460-C515 HydrophobicContact CE1-CB 4.33Å; A466-C515 HydrophobicContact CB-CB 4.25Å; A467-C515 CarbonylContact O-C 3.6Å; A467-C515 WeakPolarHBondContact O-CA 3.32Å; V468-C515 HydrophobicContact CG2-CB 3.51Å
516L90Very high88.5Confident5 Ų554.7 Ų54.73%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-91.7128167-171.973.7000108.8A466 A467 L498 F547 L561 F562 F567A466-L516 CarbonylContact C-O 3.52Å; A466-L516 WeakPolarHBondContact CA-O 3.18Å; A466-L516 WeakPolarHBondContact CB-O 3.47Å; A467-L516 PolarHBondContact N-O 2.93Å; A467-L516 PolarHBondContact O-N 3.19Å; L498-L516 HydrophobicContact CD1-CB 3.75Å; L498-L516 HydrophobicContact CD1-CD1 3.88Å; L498-L516 HydrophobicContact CD1-CG 4.44Å; L516-F547 HydrophobicContact CD1-CE2 4.06Å; L516-F547 HydrophobicContact CD1-CZ 4.2Å; L516-F547 HydrophobicContact CD2-CD2 4.34Å; L516-F547 HydrophobicContact CD2-CE1 4.43Å; L516-F547 HydrophobicContact CD2-CE2 3.87Å; L516-F547 HydrophobicContact CD2-CZ 3.92Å; L516-F547 HydrophobicContact CG-CE2 4.03Å; L516-F547 HydrophobicContact CG-CZ 4.4Å; L516-L561 HydrophobicContact CD2-CD1 3.48Å; L516-L561 VanDerWaalsContact CD2-CD1 3.48Å; L516-L561 HydrophobicContact CD2-CD2 3.81Å; L516-L561 HydrophobicContact CD2-CG 3.3Å; L516-F562 HydrophobicContact CB-CE1 4.1Å; L516-F562 HydrophobicContact CB-CZ 3.95Å; L516-F567 HydrophobicContact CD1-CD1 3.71Å; L516-F567 HydrophobicContact CD1-CE1 3.34Å; L516-F567 HydrophobicContact CD1-CZ 4.18Å
517L90Very high88.6Confident21 Ų2153 Ų5311%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-85.6133.6174-65.3163.6000109L434 A466 G519 W545 F547L434-L517 HydrophobicContact CD1-CD2 4.22Å; L434-L517 HydrophobicContact CD2-CD2 4.48Å; L434-L517 HydrophobicContact CG-CD2 4.02Å; A466-L517 HydrophobicContact CB-CD2 3.95Å; L517-G519 VanDerWaalsContact C-N 3.34Å; L517-W545 HydrophobicContact CB-CH2 4.34Å; L517-W545 VanDerWaalsContact O-CH2 3.27Å; L517-W545 WeakPolarHBondContact O-CH2 3.43Å; L517-W545 VanDerWaalsContact O-CZ3 3.24Å; L517-W545 WeakPolarHBondContact O-CZ3 3.38Å; L517-F547 WeakPolarHBondContact O-CD2 3.31Å
518L89.9Confident88.7Confident6 Ų647.3 Ų47.33%0.03125%0.251CS..  trans-83.4-11.3-177-60.3177000113N465 A467 F482 H546 F547 L561N465-L518 WeakPolarHBondContact O-CB 3.45Å; N465-L518 PolarHBondContact O-N 2.98Å; A467-L518 HydrophobicContact CB-CD2 4.29Å; F482-L518 HydrophobicContact CD1-CD1 3.88Å; F482-L518 HydrophobicContact CE1-CD1 3.92Å; F482-L518 HydrophobicContact CE1-CD2 4.46Å; L518-H546 CarbonylContact O-C 3.58Å; L518-H546 WeakPolarHBondContact O-CA 3.37Å; L518-F547 HydrophobicContact CD2-CB 4.08Å; L518-F547 HydrophobicContact CD2-CD2 4.49Å; L518-F547 HydrophobicContact CD2-CG 4.49Å; L518-F547 PolarHBondContact O-N 2.86Å; L518-L561 HydrophobicContact CD2-CD1 3.91Å; L518-L561 HydrophobicContact CD2-CD2 3.62Å; L518-L561 HydrophobicContact CD2-CG 4.38Å
519G85.8Confident88.8Confident11 Ų1143.8 Ų43.811%0.11323%0.228CC..SBendtrans74.5172.3-175.300000113.2N465 L517N465-G519 PolarHBondContact ND2-O 2.75Å; L517-G519 VanDerWaalsContact C-N 3.34Å
520P90Very high89Confident120 Ų12042.1 Ų42.178%0.77922%0.22SC*.SBendcis-71.5132.118.528.4-35.4000112.5W545P520-W545 WeakPolarHBondContact CA-O 3.42Å
521D90Very high89.2Confident26 Ų2639.4 Ų39.414%0.13920%0.198CC..EExtended strand (participates in β ladder)trans-150.4174.2179.4-172.321.1000109.7R437 N544 W545R437-D521 IonicContact CZ-OD1 3.81Å; R437-D521 IonicContact CZ-OD2 3.2Å; R437-D521 IonicContact NH1-OD1 2.76Å; R437-D521 PolarHBondContact NH1-OD1 3.46Å; R437-D521 IonicContact NH1-OD2 2.94Å; R437-D521 PolarHBondContact NH1-OD2 3.44Å; R437-D521 IonicContact NH2-OD1 3.87Å; R437-D521 IonicContact NH2-OD2 2.64Å; R437-D521 PolarHBondContact NH2-OD2 2.84Å; D521-N544 CarbonylContact O-C 3.18Å; D521-N544 WeakPolarHBondContact O-CA 3.36Å; D521-W545 HydrophobicContact CB-CD2 4.33Å; D521-W545 HydrophobicContact CB-CH2 4.03Å; D521-W545 HydrophobicContact CB-CZ2 3.55Å; D521-W545 PolarHBondContact N-O 3.11Å; D521-W545 VanDerWaalsContact O-CD1 3.25Å; D521-W545 PolarHBondContact O-N 2.9Å; D521-W545 VanDerWaalsContact O-O 3.08Å; D521-W545 WeakPolarHBondContact OD2-CZ2 3.4Å
522F88.9Confident89.3Confident110 Ų11036.5 Ų36.548%0.48220%0.197SC..EExtended strand (participates in β ladder)trans-137.3143.5176.272.4-84.4000112.8T524 Y543 N544F522-T524 HydrophobicContact CD2-CG2 4.1Å; F522-T524 HydrophobicContact CE2-CG2 4.13Å; F522-Y543 CarbonylContact C-O 3.24Å; F522-Y543 WeakPolarHBondContact CA-O 3.42Å; F522-Y543 WeakPolarHBondContact CB-O 3.36Å; F522-N544 WeakPolarHBondContact CB-OD1 3.35Å
523F88.3Confident89.4Confident14 Ų1433 Ų336%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-117.1149166.552.5-103.9000110.3A542 Y543 W545 F567 V568 A571 C572F523-A542 WeakPolarHBondContact O-CA 3.48Å; F523-Y543 AromaticContact CD2-CD2 3.33Å; F523-Y543 HydrophobicContact CD2-CD2 3.33Å; F523-Y543 HydrophobicContact CD2-CE2 4.13Å; F523-Y543 HydrophobicContact CD2-CG 4.11Å; F523-Y543 AromaticContact CE2-CD2 3.19Å; F523-Y543 HydrophobicContact CE2-CD2 3.19Å; F523-Y543 AromaticContact CE2-CE2 3.97Å; F523-Y543 HydrophobicContact CE2-CE2 3.97Å; F523-Y543 AromaticContact CE2-CG 3.66Å; F523-Y543 HydrophobicContact CE2-CG 3.66Å; F523-Y543 HydrophobicContact CZ-CD2 4.31Å; F523-Y543 HydrophobicContact CZ-CG 4.41Å; F523-Y543 PolarHBondContact N-O 3.31Å; F523-Y543 VanDerWaalsContact N-O 3.07Å; F523-Y543 WeakPolarHBondContact O-CD2 3.46Å; F523-Y543 PolarHBondContact O-N 2.88Å; F523-W545 AromaticContact CD1-CD1 3.15Å; F523-W545 HydrophobicContact CD1-CD2 4.33Å; F523-W545 AromaticContact CD1-CE2 3.82Å; F523-W545 AromaticContact CD1-CG 3.95Å; F523-W545 HydrophobicContact CD1-CG 3.95Å; F523-W545 AromaticContact CD1-NE1 3.09Å; F523-W545 HydrophobicContact CE1-CB 4.22Å; F523-W545 AromaticContact CE1-CD1 3.22Å; F523-W545 HydrophobicContact CE1-CD2 4.18Å; F523-W545 AromaticContact CE1-CG 3.61Å; F523-W545 HydrophobicContact CE1-CG 3.61Å; F523-W545 AromaticContact CE1-NE1 3.61Å; F523-F567 HydrophobicContact CE1-CE2 4.41Å; F523-V568 HydrophobicContact CB-CG1 4.21Å; F523-V568 HydrophobicContact CD1-CG1 4.17Å; F523-V568 HydrophobicContact CD1-CG2 4.29Å; F523-V568 HydrophobicContact CD2-CG1 4.23Å; F523-V568 HydrophobicContact CG-CG1 3.96Å; F523-A571 HydrophobicContact CZ-CB 3.91Å; F523-C572 WeakPolarHBondContact CD2-SG 3.45Å; F523-C572 WeakPolarHBondContact CE2-SG 3.37Å
524T89.8Confident89.2Confident14 Ų1438.9 Ų38.99%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-114.4139.8-177.843.80000110.6R504 K506 F522 L541 A542R504-T524 PolarHBondContact NE-OG1 2.98Å; R504-T524 PolarHBondContact NH2-OG1 2.93Å; R504-T524 VanDerWaalsContact NH2-OG1 3.1Å; K506-T524 WeakPolarHBondContact CE-O 3.22Å; K506-T524 PolarHBondContact NZ-O 3.04Å; F522-T524 HydrophobicContact CD2-CG2 4.1Å; F522-T524 HydrophobicContact CE2-CG2 4.13Å; T524-L541 CarbonylContact C-O 3.59Å; T524-L541 VanDerWaalsContact CA-O 3.23Å; T524-L541 WeakPolarHBondContact CA-O 3.38Å; T524-A542 HydrophobicContact CG2-CB 3.79Å
525D92Very high89Confident14 Ų1439.8 Ų39.88%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-138.5156.4176.7-163.118.9000111.8K506 Q540 L541 Y543K506-D525 HydrophobicContact CG-CB 3.98Å; K506-D525 WeakPolarHBondContact CG-OD1 3.49Å; K506-D525 PolarHBondContact N-OD1 3.03Å; D525-Q540 WeakPolarHBondContact O-CA 3.14Å; D525-L541 PolarHBondContact N-O 2.99Å; D525-L541 PolarHBondContact O-N 2.92Å; D525-Y543 HydrophobicContact CB-CE2 3.9Å
526V91.6Very high89Confident28 Ų2846.1 Ų46.117%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-113.7109.9176.7-176.10000107.7R504 P505 L539 Q540R504-V526 HydrophobicContact CB-CG2 3.79Å; R504-V526 HydrophobicContact CG-CG2 4.46Å; P505-V526 HydrophobicContact CB-CB 4.26Å; V526-L539 CarbonylContact C-O 3.6Å; V526-L539 WeakPolarHBondContact CA-O 3.38Å; V526-Q540 HydrophobicContact CG2-CG 4.22Å
527I90.1Very high89Confident5 Ų546 Ų463%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-109.8136.2178.866.1171000109.6I529 L539 L541 A576 V579I527-I529 HydrophobicContact CD1-CG2 3.97Å; I527-I529 HydrophobicContact CG1-CG2 4.24Å; I527-L539 HydrophobicContact CD1-CB 4.37Å; I527-L539 HydrophobicContact CD1-CD1 3.88Å; I527-L539 HydrophobicContact CG1-CB 3.71Å; I527-L539 HydrophobicContact CG1-CD1 4.01Å; I527-L539 HydrophobicContact CG1-CG 4.37Å; I527-L539 PolarHBondContact N-O 3.12Å; I527-L539 PolarHBondContact O-N 2.62Å; I527-L541 HydrophobicContact CD1-CD1 3.54Å; I527-L541 HydrophobicContact CD1-CG 4.44Å; I527-L541 HydrophobicContact CG1-CD1 4.14Å; I527-A576 HydrophobicContact CB-CB 4.49Å; I527-A576 HydrophobicContact CG2-CB 3.69Å; I527-V579 HydrophobicContact CD1-CB 3.92Å; I527-V579 HydrophobicContact CD1-CG1 3.74Å; I527-V579 HydrophobicContact CD1-CG2 4.45Å
528T90.4Very high89Confident58 Ų5848.2 Ų48.236%0.35626%0.255SS..EExtended strand (participates in β ladder)trans-95.5125169.3-52.20000108.3L537 V646T528-L537 WeakPolarHBondContact CA-O 3.39Å; T528-V646 HydrophobicContact CG2-CG2 4.27Å
529I90.6Very high89Confident4 Ų448 Ų482%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-120.6163.5179.753.3150.5000109.8I527 R536 L537 L539 V579 R580 V583 F591I527-I529 HydrophobicContact CD1-CG2 3.97Å; I527-I529 HydrophobicContact CG1-CG2 4.24Å; I529-R536 WeakPolarHBondContact O-CA 3.4Å; I529-L537 HydrophobicContact CD1-CB 3.97Å; I529-L537 HydrophobicContact CD1-CD1 4.03Å; I529-L537 HydrophobicContact CD1-CG 4.43Å; I529-L537 HydrophobicContact CG1-CB 3.85Å; I529-L537 WeakPolarHBondContact CG1-O 3.31Å; I529-L537 PolarHBondContact N-O 2.92Å; I529-L537 PolarHBondContact O-N 3.46Å; I529-L539 HydrophobicContact CB-CD1 4.42Å; I529-L539 HydrophobicContact CD1-CD1 3.38Å; I529-L539 HydrophobicContact CD1-CD2 4.24Å; I529-L539 HydrophobicContact CD1-CG 3.77Å; I529-L539 HydrophobicContact CG1-CD1 3.67Å; I529-L539 HydrophobicContact CG1-CG 3.87Å; I529-L539 HydrophobicContact CG2-CD1 3.87Å; I529-V579 HydrophobicContact CG2-CG1 4.21Å; I529-R580 HydrophobicContact CG2-CG 3.88Å; I529-V583 HydrophobicContact CD1-CB 4.16Å; I529-V583 HydrophobicContact CD1-CG1 3.58Å; I529-V583 HydrophobicContact CD1-CG2 4.15Å; I529-F591 HydrophobicContact CD1-CD1 4.49Å; I529-F591 HydrophobicContact CD1-CE1 3.75Å; I529-F591 HydrophobicContact CD1-CZ 3.77Å
530E90.9Very high89.3Confident91 Ų9150.5 Ų50.543%0.42526%0.263SS..EExtended strand (participates in β ladder)trans-132129.4175.9-170.2175165.500108.4H534 A535 R536E530-H534 IonicContact OE1-CE1 2.7Å; E530-H534 IonicContact OE1-CG 3.82Å; E530-H534 IonicContact OE1-ND1 3.3Å; E530-H534 PolarHBondContact OE1-ND1 2.84Å; E530-A535 WeakPolarHBondContact CA-O 3.33Å; E530-R536 HydrophobicContact CG-CG 4.33Å
531T89.1Confident89.4Confident4 Ų444.8 Ų44.83%0.02523%0.226CC..  trans-82.417117857.80000111.1D533 H534 A535 L537 V583 V586T531-D533 WeakPolarHBondContact CB-OD1 3.41Å; T531-D533 PolarHBondContact O-N 2.81Å; T531-D533 PolarHBondContact OG1-OD1 3.38Å; T531-H534 PolarHBondContact O-N 3.01Å; T531-A535 PolarHBondContact N-O 3.31Å; T531-A535 VanDerWaalsContact N-O 3.08Å; T531-A535 WeakPolarHBondContact OG1-CA 3.44Å; T531-A535 VanDerWaalsContact OG1-CB 3.22Å; T531-A535 WeakPolarHBondContact OG1-CB 3.39Å; T531-A535 PolarHBondContact OG1-N 3.47Å; T531-A535 PolarHBondContact OG1-O 3.47Å; T531-L537 HydrophobicContact CG2-CD1 4.02Å; T531-V583 HydrophobicContact CG2-CG1 3.73Å; T531-V586 VanDerWaalsContact CB-O 3.31Å; T531-V586 WeakPolarHBondContact CB-O 3.46Å
532A87.6Confident89.4Confident50 Ų5043.7 Ų43.741%0.41322%0.22SC..THydrogen-bonded Turntrans-58.6-27.6178.600000113.7H534 A584 V586A532-H534 VanDerWaalsContact C-N 3.35Å; A532-A584 WeakPolarHBondContact CA-O 3.2Å; A532-V586 PolarHBondContact N-O 2.79Å
533D88.3Confident89.5Confident81 Ų8138.4 Ų38.443%0.43320%0.197SC..THydrogen-bonded Turntrans-95.722.2176.556.2-20.6000113.2T531 A535 F588T531-D533 WeakPolarHBondContact CB-OD1 3.41Å; T531-D533 PolarHBondContact O-N 2.81Å; T531-D533 PolarHBondContact OG1-OD1 3.38Å; D533-A535 PolarHBondContact O-N 2.79Å; D533-F588 PolarHBondContact OD1-N 2.89Å; D533-F588 WeakPolarHBondContact OD2-CB 3.35Å; D533-F588 PolarHBondContact OD2-N 3.49Å
534H84.3Confident89.7Confident140 Ų14040 Ų4065%0.64821%0.206SC*.  trans61.819.9176.2-59.2-69000115.3E530 T531 A532 R536E530-H534 IonicContact OE1-CE1 2.7Å; E530-H534 IonicContact OE1-CG 3.82Å; E530-H534 IonicContact OE1-ND1 3.3Å; E530-H534 PolarHBondContact OE1-ND1 2.84Å; T531-H534 PolarHBondContact O-N 3.01Å; A532-H534 VanDerWaalsContact C-N 3.35Å; H534-R536 PolarHBondContact O-N 3.3Å
535A83.4Confident89.9Confident27 Ų2739.7 Ų39.722%0.22320%0.204CC..  trans-76.7119.6172.900000109.5E530 T531 D533 F588E530-A535 WeakPolarHBondContact CA-O 3.33Å; T531-A535 PolarHBondContact N-O 3.31Å; T531-A535 VanDerWaalsContact N-O 3.08Å; T531-A535 WeakPolarHBondContact OG1-CA 3.44Å; T531-A535 VanDerWaalsContact OG1-CB 3.22Å; T531-A535 WeakPolarHBondContact OG1-CB 3.39Å; T531-A535 PolarHBondContact OG1-N 3.47Å; T531-A535 PolarHBondContact OG1-O 3.47Å; D533-A535 PolarHBondContact O-N 2.79Å; A535-F588 HydrophobicContact CB-CB 3.93Å; A535-F588 HydrophobicContact CB-CD2 4.07Å; A535-F588 HydrophobicContact CB-CG 4.18Å
536R88.6Confident89.9Confident140 Ų14041.6 Ų41.653%0.52821%0.212SC..EExtended strand (participates in β ladder)trans-88.7120.3178.4-67-178.465.6-159.10.2110.3I529 E530 H534 V646I529-R536 WeakPolarHBondContact O-CA 3.4Å; E530-R536 HydrophobicContact CG-CG 4.33Å; H534-R536 PolarHBondContact O-N 3.3Å; R536-V646 HydrophobicContact CB-CB 4.14Å; R536-V646 HydrophobicContact CB-CG2 4.06Å; R536-V646 PolarHBondContact O-N 2.94Å
537L88.8Confident89.8Confident1 Ų141 Ų411%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-119.7139.7-179.1-46.9174.1000110.4T528 I529 T531 F588 F591 V643 E644 P645T528-L537 WeakPolarHBondContact CA-O 3.39Å; I529-L537 HydrophobicContact CD1-CB 3.97Å; I529-L537 HydrophobicContact CD1-CD1 4.03Å; I529-L537 HydrophobicContact CD1-CG 4.43Å; I529-L537 HydrophobicContact CG1-CB 3.85Å; I529-L537 WeakPolarHBondContact CG1-O 3.31Å; I529-L537 PolarHBondContact N-O 2.92Å; I529-L537 PolarHBondContact O-N 3.46Å; T531-L537 HydrophobicContact CG2-CD1 4.02Å; L537-F588 HydrophobicContact CD1-CD2 3.93Å; L537-F588 HydrophobicContact CD1-CE2 4.11Å; L537-F588 HydrophobicContact CD2-CD2 3.77Å; L537-F588 HydrophobicContact CD2-CE2 3.53Å; L537-F588 HydrophobicContact CG-CD2 4.36Å; L537-F588 HydrophobicContact CG-CE2 4.44Å; L537-F591 HydrophobicContact CD1-CD1 3.48Å; L537-F591 VanDerWaalsContact CD1-CD1 3.48Å; L537-F591 HydrophobicContact CD1-CE1 3.58Å; L537-V643 HydrophobicContact CB-CG1 4.42Å; L537-V643 HydrophobicContact CD1-CG1 4Å; L537-E644 CarbonylContact C-O 3.54Å; L537-E644 WeakPolarHBondContact CA-O 3.48Å; L537-P645 HydrophobicContact CD2-CB 4.06Å
538Q90.8Very high89.7Confident69 Ų6945.4 Ų45.432%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-93.6117.8164.1-80.817314.100108.5E644 V646Q538-E644 PolarHBondContact N-O 2.87Å; Q538-E644 PolarHBondContact O-N 2.8Å; Q538-V646 HydrophobicContact CG-CG2 3.79Å
539L90.1Very high89.2Confident0 Ų044.4 Ų44.40%022%0.221CC..EExtended strand (participates in β ladder)trans-101.9127.9174.3-61.9171.2000109.2V526 I527 I529 L541 V579 F591 I599 S642 V643V526-L539 CarbonylContact C-O 3.6Å; V526-L539 WeakPolarHBondContact CA-O 3.38Å; I527-L539 HydrophobicContact CD1-CB 4.37Å; I527-L539 HydrophobicContact CD1-CD1 3.88Å; I527-L539 HydrophobicContact CG1-CB 3.71Å; I527-L539 HydrophobicContact CG1-CD1 4.01Å; I527-L539 HydrophobicContact CG1-CG 4.37Å; I527-L539 PolarHBondContact N-O 3.12Å; I527-L539 PolarHBondContact O-N 2.62Å; I529-L539 HydrophobicContact CB-CD1 4.42Å; I529-L539 HydrophobicContact CD1-CD1 3.38Å; I529-L539 HydrophobicContact CD1-CD2 4.24Å; I529-L539 HydrophobicContact CD1-CG 3.77Å; I529-L539 HydrophobicContact CG1-CD1 3.67Å; I529-L539 HydrophobicContact CG1-CG 3.87Å; I529-L539 HydrophobicContact CG2-CD1 3.87Å; L539-L541 HydrophobicContact CB-CD2 4.25Å; L539-L541 HydrophobicContact CB-CG 4.18Å; L539-V579 HydrophobicContact CD1-CG1 3.96Å; L539-F591 HydrophobicContact CD1-CZ 4.06Å; L539-F591 HydrophobicContact CD2-CE1 3.92Å; L539-F591 HydrophobicContact CD2-CZ 3.85Å; L539-I599 HydrophobicContact CD1-CD1 4.15Å; L539-I599 HydrophobicContact CD2-CD1 4.43Å; L539-S642 WeakPolarHBondContact CA-O 3.44Å; L539-V643 HydrophobicContact CD2-CB 4.01Å; L539-V643 HydrophobicContact CD2-CG1 3.73Å; L539-V643 HydrophobicContact CD2-CG2 3.56Å
540Q92Very high88.7Confident64 Ų6450 Ų5030%0.29925%0.251SS..EExtended strand (participates in β ladder)trans-96.2112.5163.8-60.2-174.1-2.600108.1D525 V526 Q641 S642D525-Q540 WeakPolarHBondContact O-CA 3.14Å; V526-Q540 HydrophobicContact CG2-CG 4.22Å; Q540-Q641 HydrophobicContact CB-CB 4.06Å; Q540-Q641 PolarHBondContact O-N 3.03Å; Q540-S642 VanDerWaalsContact CB-OG 3.26Å; Q540-S642 WeakPolarHBondContact CB-OG 3.49Å; Q540-S642 WeakPolarHBondContact CG-OG 3.48Å; Q540-S642 PolarHBondContact N-O 3.15Å; Q540-S642 PolarHBondContact O-N 3.22Å; Q540-S642 PolarHBondContact OE1-OG 2.64Å; Q540-S642 VanDerWaalsContact OE1-OG 3.13Å
541L90.8Very high88.1Confident0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-110.4139-179.8-59.3-177.5000109.5T524 D525 I527 L539 Y543 V579 I599 D639 V640T524-L541 CarbonylContact C-O 3.59Å; T524-L541 VanDerWaalsContact CA-O 3.23Å; T524-L541 WeakPolarHBondContact CA-O 3.38Å; D525-L541 PolarHBondContact N-O 2.99Å; D525-L541 PolarHBondContact O-N 2.92Å; I527-L541 HydrophobicContact CD1-CD1 3.54Å; I527-L541 HydrophobicContact CD1-CG 4.44Å; I527-L541 HydrophobicContact CG1-CD1 4.14Å; L539-L541 HydrophobicContact CB-CD2 4.25Å; L539-L541 HydrophobicContact CB-CG 4.18Å; L541-Y543 HydrophobicContact CB-CE1 3.8Å; L541-Y543 HydrophobicContact CB-CE2 4.16Å; L541-Y543 HydrophobicContact CD1-CE1 4.04Å; L541-Y543 WeakPolarHBondContact CD1-OH 3.5Å; L541-V579 HydrophobicContact CD1-CG2 4.38Å; L541-I599 HydrophobicContact CD1-CG2 4.45Å; L541-I599 HydrophobicContact CD2-CD1 4.03Å; L541-I599 HydrophobicContact CD2-CG2 4.44Å; L541-D639 WeakPolarHBondContact CA-O 3.34Å; L541-V640 HydrophobicContact CD2-CB 4.32Å; L541-V640 HydrophobicContact CD2-CG1 4.24Å; L541-V640 HydrophobicContact CD2-CG2 3.97Å
542A91.7Very high87.7Confident3 Ų355.9 Ų55.93%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-113.4130.4167.600000108.8F523 T524 V638 D639 Q641F523-A542 WeakPolarHBondContact O-CA 3.48Å; T524-A542 HydrophobicContact CG2-CB 3.79Å; A542-V638 CarbonylContact O-C 3.51Å; A542-V638 WeakPolarHBondContact O-CA 3.41Å; A542-D639 HydrophobicContact CB-CB 4.36Å; A542-D639 PolarHBondContact N-O 3.03Å; A542-D639 PolarHBondContact O-N 2.98Å; A542-Q641 HydrophobicContact CB-CG 4.08Å
543Y91.2Very high87.3Confident0 Ų062.4 Ų62.40%029%0.294CS..EExtended strand (participates in β ladder)trans-112.9116.4-178.6-47.1-76.7000107.5F522 F523 D525 L541 I575 V638F522-Y543 CarbonylContact C-O 3.24Å; F522-Y543 WeakPolarHBondContact CA-O 3.42Å; F522-Y543 WeakPolarHBondContact CB-O 3.36Å; F523-Y543 AromaticContact CD2-CD2 3.33Å; F523-Y543 HydrophobicContact CD2-CD2 3.33Å; F523-Y543 HydrophobicContact CD2-CE2 4.13Å; F523-Y543 HydrophobicContact CD2-CG 4.11Å; F523-Y543 AromaticContact CE2-CD2 3.19Å; F523-Y543 HydrophobicContact CE2-CD2 3.19Å; F523-Y543 AromaticContact CE2-CE2 3.97Å; F523-Y543 HydrophobicContact CE2-CE2 3.97Å; F523-Y543 AromaticContact CE2-CG 3.66Å; F523-Y543 HydrophobicContact CE2-CG 3.66Å; F523-Y543 HydrophobicContact CZ-CD2 4.31Å; F523-Y543 HydrophobicContact CZ-CG 4.41Å; F523-Y543 PolarHBondContact N-O 3.31Å; F523-Y543 VanDerWaalsContact N-O 3.07Å; F523-Y543 WeakPolarHBondContact O-CD2 3.46Å; F523-Y543 PolarHBondContact O-N 2.88Å; D525-Y543 HydrophobicContact CB-CE2 3.9Å; L541-Y543 HydrophobicContact CB-CE1 3.8Å; L541-Y543 HydrophobicContact CB-CE2 4.16Å; L541-Y543 HydrophobicContact CD1-CE1 4.04Å; L541-Y543 WeakPolarHBondContact CD1-OH 3.5Å; Y543-I575 HydrophobicContact CD1-CD1 3.86Å; Y543-I575 HydrophobicContact CD1-CG2 4.24Å; Y543-I575 HydrophobicContact CE1-CB 4.26Å; Y543-I575 HydrophobicContact CE1-CD1 4.02Å; Y543-I575 HydrophobicContact CE1-CG2 3.41Å; Y543-I575 VanDerWaalsContact CE1-CG2 3.41Å; Y543-I575 HydrophobicContact CG-CD1 4.31Å; Y543-V638 HydrophobicContact CD1-CB 4.33Å; Y543-V638 HydrophobicContact CD1-CG1 3.75Å; Y543-V638 HydrophobicContact CD1-CG2 3.92Å; Y543-V638 HydrophobicContact CE1-CG1 3.77Å; Y543-V638 HydrophobicContact CE1-CG2 4.49Å
544N92.2Very high87.1Confident47 Ų4761.1 Ų61.125%0.25129%0.287SS..EExtended strand (participates in β ladder)trans-84.1128.4171.9-65.1-29.5000108D521 F522 V635 S636 S637 D639D521-N544 CarbonylContact O-C 3.18Å; D521-N544 WeakPolarHBondContact O-CA 3.36Å; F522-N544 WeakPolarHBondContact CB-OD1 3.35Å; N544-V635 CarbonylContact O-C 3.58Å; N544-V635 WeakPolarHBondContact O-CA 3.38Å; N544-S636 PolarHBondContact O-N 3Å; N544-S636 PolarHBondContact O-OG 3.36Å; N544-S637 WeakPolarHBondContact CB-OG 3.32Å; N544-S637 PolarHBondContact N-O 2.83Å; N544-S637 PolarHBondContact ND2-OG 2.89Å; N544-S637 PolarHBondContact O-N 2.94Å; N544-D639 PolarHBondContact ND2-OD2 2.88Å
545W92.6Very high86.9Confident8 Ų858.9 Ų58.93%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-142156.8-171.764.2-87.5000112.1L517 P520 D521 F523 F547 F567 L633 V634 V635L517-W545 HydrophobicContact CB-CH2 4.34Å; L517-W545 VanDerWaalsContact O-CH2 3.27Å; L517-W545 WeakPolarHBondContact O-CH2 3.43Å; L517-W545 VanDerWaalsContact O-CZ3 3.24Å; L517-W545 WeakPolarHBondContact O-CZ3 3.38Å; P520-W545 WeakPolarHBondContact CA-O 3.42Å; D521-W545 HydrophobicContact CB-CD2 4.33Å; D521-W545 HydrophobicContact CB-CH2 4.03Å; D521-W545 HydrophobicContact CB-CZ2 3.55Å; D521-W545 PolarHBondContact N-O 3.11Å; D521-W545 VanDerWaalsContact O-CD1 3.25Å; D521-W545 PolarHBondContact O-N 2.9Å; D521-W545 VanDerWaalsContact O-O 3.08Å; D521-W545 WeakPolarHBondContact OD2-CZ2 3.4Å; F523-W545 AromaticContact CD1-CD1 3.15Å; F523-W545 HydrophobicContact CD1-CD2 4.33Å; F523-W545 AromaticContact CD1-CE2 3.82Å; F523-W545 AromaticContact CD1-CG 3.95Å; F523-W545 HydrophobicContact CD1-CG 3.95Å; F523-W545 AromaticContact CD1-NE1 3.09Å; F523-W545 HydrophobicContact CE1-CB 4.22Å; F523-W545 AromaticContact CE1-CD1 3.22Å; F523-W545 HydrophobicContact CE1-CD2 4.18Å; F523-W545 AromaticContact CE1-CG 3.61Å; F523-W545 HydrophobicContact CE1-CG 3.61Å; F523-W545 AromaticContact CE1-NE1 3.61Å; W545-F547 HydrophobicContact CE3-CD2 4.13Å; W545-F547 HydrophobicContact CE3-CE2 4.11Å; W545-F547 HydrophobicContact CH2-CE2 4.33Å; W545-F547 AromaticContact CZ3-CD2 3.61Å; W545-F547 HydrophobicContact CZ3-CD2 3.61Å; W545-F547 AromaticContact CZ3-CE2 3.54Å; W545-F547 HydrophobicContact CZ3-CE2 3.54Å; W545-F567 HydrophobicContact CD2-CE2 4.3Å; W545-F567 HydrophobicContact CE3-CE2 4.18Å; W545-F567 HydrophobicContact CH2-CE2 4.02Å; W545-F567 AromaticContact CH2-CZ 3.73Å; W545-F567 HydrophobicContact CH2-CZ 3.73Å; W545-F567 HydrophobicContact CZ2-CE2 4.1Å; W545-F567 AromaticContact CZ2-CZ 3.96Å; W545-F567 HydrophobicContact CZ2-CZ 3.96Å; W545-F567 HydrophobicContact CZ3-CE2 4.07Å; W545-F567 HydrophobicContact CZ3-CZ 4.13Å; W545-L633 HydrophobicContact CB-CD1 3.96Å; W545-L633 HydrophobicContact CD2-CD1 4.06Å; W545-L633 HydrophobicContact CE3-CD1 3.63Å; W545-L633 HydrophobicContact CG-CD1 4.23Å; W545-L633 HydrophobicContact CZ3-CD1 4.49Å; W545-V634 CarbonylContact C-O 3.58Å; W545-V634 WeakPolarHBondContact CA-O 3.39Å; W545-V635 HydrophobicContact CB-CG2 4.49Å
546H92.2Very high86.7Confident54 Ų5464.9 Ų64.925%0.2531%0.308CS..EExtended strand (participates in β ladder)trans-151.2163.5167.962.1-75.3000108.8L518 V634L518-H546 CarbonylContact O-C 3.58Å; L518-H546 WeakPolarHBondContact O-CA 3.37Å; H546-V634 PolarHBondContact N-O 2.96Å; H546-V634 PolarHBondContact O-N 3.29Å
547F91.3Very high86.4Confident14 Ų1460.1 Ų60.16%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-95.8128.2171-77.9-82.5000109.5L516 L517 L518 W545 L561 F567 N631 L633L516-F547 HydrophobicContact CD1-CE2 4.06Å; L516-F547 HydrophobicContact CD1-CZ 4.2Å; L516-F547 HydrophobicContact CD2-CD2 4.34Å; L516-F547 HydrophobicContact CD2-CE1 4.43Å; L516-F547 HydrophobicContact CD2-CE2 3.87Å; L516-F547 HydrophobicContact CD2-CZ 3.92Å; L516-F547 HydrophobicContact CG-CE2 4.03Å; L516-F547 HydrophobicContact CG-CZ 4.4Å; L517-F547 WeakPolarHBondContact O-CD2 3.31Å; L518-F547 HydrophobicContact CD2-CB 4.08Å; L518-F547 HydrophobicContact CD2-CD2 4.49Å; L518-F547 HydrophobicContact CD2-CG 4.49Å; L518-F547 PolarHBondContact O-N 2.86Å; W545-F547 HydrophobicContact CE3-CD2 4.13Å; W545-F547 HydrophobicContact CE3-CE2 4.11Å; W545-F547 HydrophobicContact CH2-CE2 4.33Å; W545-F547 AromaticContact CZ3-CD2 3.61Å; W545-F547 HydrophobicContact CZ3-CD2 3.61Å; W545-F547 AromaticContact CZ3-CE2 3.54Å; W545-F547 HydrophobicContact CZ3-CE2 3.54Å; F547-L561 HydrophobicContact CB-CD1 3.89Å; F547-L561 HydrophobicContact CD1-CD1 3.29Å; F547-L561 HydrophobicContact CD2-CD1 4.17Å; F547-L561 HydrophobicContact CE1-CD1 3.74Å; F547-L561 HydrophobicContact CG-CD1 3.52Å; F547-L561 HydrophobicContact CZ-CD1 4.35Å; F547-F567 HydrophobicContact CE2-CD2 4.27Å; F547-F567 HydrophobicContact CE2-CE1 4.36Å; F547-F567 AromaticContact CE2-CE2 3.99Å; F547-F567 HydrophobicContact CE2-CE2 3.99Å; F547-F567 HydrophobicContact CE2-CZ 4.04Å; F547-F567 HydrophobicContact CZ-CB 4.43Å; F547-F567 HydrophobicContact CZ-CD1 4.12Å; F547-F567 AromaticContact CZ-CD2 3.83Å; F547-F567 HydrophobicContact CZ-CD2 3.83Å; F547-F567 HydrophobicContact CZ-CE1 4.33Å; F547-F567 HydrophobicContact CZ-CE2 4.03Å; F547-F567 AromaticContact CZ-CG 3.86Å; F547-F567 HydrophobicContact CZ-CG 3.86Å; F547-F567 HydrophobicContact CZ-CZ 4.28Å; F547-N631 WeakPolarHBondContact CD1-O 3.42Å; F547-N631 HydrophobicContact CE1-CB 4.27Å; F547-L633 HydrophobicContact CD1-CB 4.24Å; F547-L633 HydrophobicContact CE1-CB 3.87Å; F547-L633 HydrophobicContact CE1-CD1 4.24Å; F547-L633 HydrophobicContact CE2-CD1 4.15Å; F547-L633 HydrophobicContact CZ-CB 4.39Å; F547-L633 HydrophobicContact CZ-CD1 4.01Å
548E86Confident86.2Confident98 Ų9860.6 Ų60.646%0.45830%0.295SS..  trans-94.3116.9172-169.5171.4-158.600108.6G632 V634E548-G632 PolarHBondContact N-O 2.86Å; E548-V634 HydrophobicContact CB-CG2 3.83Å
549V81.5Confident85.9Confident37 Ų3759.7 Ų59.722%0.22430%0.299CS..  trans-121.3111.3178.1-176.90000107.1R552V549-R552 HydrophobicContact CG1-CG 4.14Å
550N78.7Confident85.8Confident122 Ų12264.4 Ų64.465%0.65232%0.32SS*.SBendtrans-72.9-43.4-173.3-54.3-56.6000110.9E557N550-E557 VanDerWaalsContact CB-OE2 3.28Å; N550-E557 WeakPolarHBondContact CB-OE2 3.32Å; N550-E557 PolarHBondContact N-OE2 3.34Å; N550-E557 VanDerWaalsContact N-OE2 3.17Å; N550-E557 PolarHBondContact ND2-OE1 2.7Å; N550-E557 PolarHBondContact ND2-OE2 2.87Å
551D79.6Confident85.6Confident79 Ų7961.6 Ų61.642%0.42231%0.307SS..  trans-131.5116.2172.9-167.3-2.9000111.9K553 D554 E557D551-K553 PolarHBondContact O-N 2.82Å; D551-K553 WeakPolarHBondContact OD1-CB 3.32Å; D551-K553 PolarHBondContact OD1-N 3.07Å; D551-D554 HydrophobicContact CB-CB 4.34Å; D551-E557 PolarHBondContact N-OE2 3.24Å
552R80.1Confident85.5Confident139 Ų13962.4 Ų62.453%0.52531%0.311SS..THydrogen-bonded Turntrans-71.3-13.9175.8-64.3-174.3-177.2-171.4-1.9112.9F482 V549 T558F482-R552 HydrophobicContact CD2-CB 4.27Å; F482-R552 HydrophobicContact CE2-CB 3.94Å; F482-R552 HydrophobicContact CE2-CG 4.28Å; F482-R552 HydrophobicContact CZ-CB 4.43Å; F482-R552 HydrophobicContact CZ-CG 4.33Å; V549-R552 HydrophobicContact CG1-CG 4.14Å; R552-T558 WeakPolarHBondContact O-CG2 3.43Å
553K78.8Confident85.3Confident188 Ų18865.4 Ų65.482%0.81733%0.331SS*.THydrogen-bonded Turntrans-91.8-17.5-178.6-63.2-178.2178.9179.40113.4D551 P555D551-K553 PolarHBondContact O-N 2.82Å; D551-K553 WeakPolarHBondContact OD1-CB 3.32Å; D551-K553 PolarHBondContact OD1-N 3.07Å; K553-P555 VanDerWaalsContact O-CD 3.3Å; K553-P555 WeakPolarHBondContact O-CD 3.39Å
554D83.9Confident85.3Confident53 Ų5366.8 Ų66.828%0.28334%0.339SS..  trans-79.2117.5179.5178.421.1000111.4D551 Q556 E557 T558D551-D554 HydrophobicContact CB-CB 4.34Å; D554-Q556 PolarHBondContact O-N 2.85Å; D554-Q556 PolarHBondContact OD1-N 2.76Å; D554-E557 HydrophobicContact CB-CB 4.16Å; D554-E557 HydrophobicContact CB-CG 4.29Å; D554-E557 PolarHBondContact O-N 2.81Å; D554-E557 WeakPolarHBondContact OD2-CG 3.36Å; D554-E557 PolarHBondContact OD2-N 3.23Å; D554-T558 VanDerWaalsContact O-CG2 3.26Å; D554-T558 WeakPolarHBondContact O-CG2 3.44Å; D554-T558 PolarHBondContact O-N 3.33Å; D554-T558 PolarHBondContact O-OG1 2.85Å
555P79.9Confident84.9Confident94 Ų9468.8 Ų68.861%0.6136%0.355SS*.Hα-helixtrans-58.8-29.9175.7-23.935.6000113.6K553 T558 A559K553-P555 VanDerWaalsContact O-CD 3.3Å; K553-P555 WeakPolarHBondContact O-CD 3.39Å; P555-T558 VanDerWaalsContact CA-OG1 3.29Å; P555-T558 WeakPolarHBondContact CA-OG1 3.47Å; P555-T558 PolarHBondContact O-OG1 3.48Å; P555-T558 VanDerWaalsContact O-OG1 3.1Å; P555-A559 VanDerWaalsContact O-CB 3.28Å; P555-A559 WeakPolarHBondContact O-CB 3.46Å; P555-A559 PolarHBondContact O-N 3.34Å; P555-A559 VanDerWaalsContact O-N 3.1Å
556Q80.8Confident84.8Confident152 Ų15269.7 Ų69.771%0.7136%0.36SS*.Hα-helixtrans-75.9-45-178.6-63.8-172.36.200111.8D554 A559 K560D554-Q556 PolarHBondContact O-N 2.85Å; D554-Q556 PolarHBondContact OD1-N 2.76Å; Q556-A559 PolarHBondContact O-N 3.38Å; Q556-K560 PolarHBondContact O-N 2.9Å
557E81.9Confident84.8Confident40 Ų4067.5 Ų67.519%0.18735%0.35CS..Hα-helixtrans-61.8-45.4172.7-74.3-126.6134.600112.3N550 D551 D554 A559 K560N550-E557 VanDerWaalsContact CB-OE2 3.28Å; N550-E557 WeakPolarHBondContact CB-OE2 3.32Å; N550-E557 PolarHBondContact N-OE2 3.34Å; N550-E557 VanDerWaalsContact N-OE2 3.17Å; N550-E557 PolarHBondContact ND2-OE1 2.7Å; N550-E557 PolarHBondContact ND2-OE2 2.87Å; D551-E557 PolarHBondContact N-OE2 3.24Å; D554-E557 HydrophobicContact CB-CB 4.16Å; D554-E557 HydrophobicContact CB-CG 4.29Å; D554-E557 PolarHBondContact O-N 2.81Å; D554-E557 WeakPolarHBondContact OD2-CG 3.36Å; D554-E557 PolarHBondContact OD2-N 3.23Å; E557-A559 VanDerWaalsContact C-N 3.28Å; E557-A559 PolarHBondContact O-N 2.91Å; E557-K560 VanDerWaalsContact O-CB 3.3Å; E557-K560 WeakPolarHBondContact O-CB 3.43Å; E557-K560 PolarHBondContact O-N 2.93Å; E557-K560 IonicContact OE1-NZ 3.34Å
558T84.5Confident84.8Confident12 Ų1267.3 Ų67.37%0.07435%0.35CS..Hα-helixtrans-64.8-32.7-179.855.20000112.5F482 R552 D554 P555 K560 L561F482-T558 HydrophobicContact CE2-CG2 3.61Å; F482-T558 HydrophobicContact CZ-CG2 3.78Å; R552-T558 WeakPolarHBondContact O-CG2 3.43Å; D554-T558 VanDerWaalsContact O-CG2 3.26Å; D554-T558 WeakPolarHBondContact O-CG2 3.44Å; D554-T558 PolarHBondContact O-N 3.33Å; D554-T558 PolarHBondContact O-OG1 2.85Å; P555-T558 VanDerWaalsContact CA-OG1 3.29Å; P555-T558 WeakPolarHBondContact CA-OG1 3.47Å; P555-T558 PolarHBondContact O-OG1 3.48Å; P555-T558 VanDerWaalsContact O-OG1 3.1Å; T558-K560 VanDerWaalsContact C-N 3.32Å; T558-K560 PolarHBondContact O-N 3.34Å; T558-L561 VanDerWaalsContact O-CB 3.23Å; T558-L561 WeakPolarHBondContact O-CB 3.22Å; T558-L561 PolarHBondContact O-N 2.81Å
559A85.1Confident84.9Confident49 Ų4962.8 Ų62.841%0.40533%0.33SS..Hα-helixtrans-66.1-30.4172.900000113.1P555 Q556 E557 L561 F562 S563P555-A559 VanDerWaalsContact O-CB 3.28Å; P555-A559 WeakPolarHBondContact O-CB 3.46Å; P555-A559 PolarHBondContact O-N 3.34Å; P555-A559 VanDerWaalsContact O-N 3.1Å; Q556-A559 PolarHBondContact O-N 3.38Å; E557-A559 VanDerWaalsContact C-N 3.28Å; E557-A559 PolarHBondContact O-N 2.91Å; A559-L561 PolarHBondContact O-N 2.92Å; A559-F562 PolarHBondContact O-N 3.43Å; A559-S563 PolarHBondContact O-N 3.44Å
560K86.7Confident85.3Confident99 Ų9964.7 Ų64.743%0.4334%0.339SS..Hα-helixtrans-60.5-34.3176.3-65.2173-171166.20111.6Q556 E557 T558 F562 S563 N631Q556-K560 PolarHBondContact O-N 2.9Å; E557-K560 VanDerWaalsContact O-CB 3.3Å; E557-K560 WeakPolarHBondContact O-CB 3.43Å; E557-K560 PolarHBondContact O-N 2.93Å; E557-K560 IonicContact OE1-NZ 3.34Å; T558-K560 VanDerWaalsContact C-N 3.32Å; T558-K560 PolarHBondContact O-N 3.34Å; K560-F562 PolarHBondContact O-N 3.22Å; K560-F562 VanDerWaalsContact O-N 3.12Å; K560-S563 VanDerWaalsContact O-CB 3.25Å; K560-S563 WeakPolarHBondContact O-CB 3.34Å; K560-S563 PolarHBondContact O-N 2.75Å; K560-S563 PolarHBondContact O-OG 2.77Å; K560-N631 VanDerWaalsContact O-CA 3.29Å; K560-N631 WeakPolarHBondContact O-CA 3.08Å; K560-N631 WeakPolarHBondContact O-CB 3.47Å
561L87.5Confident85.9Confident5 Ų559 Ų593%0.02631%0.308CS..THydrogen-bonded Turntrans-55.7-32.5-178.7-172.266000112.6A467 F482 L516 L518 F547 T558 A559A467-L561 HydrophobicContact CB-CD2 3.61Å; F482-L561 HydrophobicContact CE1-CD2 4.25Å; L516-L561 HydrophobicContact CD2-CD1 3.48Å; L516-L561 VanDerWaalsContact CD2-CD1 3.48Å; L516-L561 HydrophobicContact CD2-CD2 3.81Å; L516-L561 HydrophobicContact CD2-CG 3.3Å; L518-L561 HydrophobicContact CD2-CD1 3.91Å; L518-L561 HydrophobicContact CD2-CD2 3.62Å; L518-L561 HydrophobicContact CD2-CG 4.38Å; F547-L561 HydrophobicContact CB-CD1 3.89Å; F547-L561 HydrophobicContact CD1-CD1 3.29Å; F547-L561 HydrophobicContact CD2-CD1 4.17Å; F547-L561 HydrophobicContact CE1-CD1 3.74Å; F547-L561 HydrophobicContact CG-CD1 3.52Å; F547-L561 HydrophobicContact CZ-CD1 4.35Å; T558-L561 VanDerWaalsContact O-CB 3.23Å; T558-L561 WeakPolarHBondContact O-CB 3.22Å; T558-L561 PolarHBondContact O-N 2.81Å; A559-L561 PolarHBondContact O-N 2.92Å
562F89.7Confident86.4Confident18 Ų1855.4 Ų55.48%0.07929%0.29CS..THydrogen-bonded Turntrans-103.98.6179.3-68.5-94.1000113.7A467 Q469 V480 L498 L516 A559 K560 V564A467-F562 HydrophobicContact CB-CE2 4.12Å; A467-F562 HydrophobicContact CB-CZ 4.17Å; Q469-F562 HydrophobicContact CB-CD1 3.64Å; Q469-F562 HydrophobicContact CB-CD2 3.94Å; Q469-F562 HydrophobicContact CB-CE1 3.62Å; Q469-F562 HydrophobicContact CB-CE2 3.93Å; Q469-F562 HydrophobicContact CB-CG 3.82Å; Q469-F562 HydrophobicContact CB-CZ 3.78Å; Q469-F562 HydrophobicContact CG-CG 4.34Å; V480-F562 HydrophobicContact CB-CE2 4.43Å; V480-F562 HydrophobicContact CG1-CD2 4.43Å; V480-F562 HydrophobicContact CG1-CE2 3.72Å; V480-F562 HydrophobicContact CG2-CD2 3.79Å; V480-F562 HydrophobicContact CG2-CE2 3.84Å; L498-F562 HydrophobicContact CD1-CE1 4.2Å; L498-F562 HydrophobicContact CD2-CD1 3.85Å; L498-F562 HydrophobicContact CD2-CE1 4.06Å; L498-F562 HydrophobicContact CG-CE1 4.39Å; L516-F562 HydrophobicContact CB-CE1 4.1Å; L516-F562 HydrophobicContact CB-CZ 3.95Å; A559-F562 PolarHBondContact O-N 3.43Å; K560-F562 PolarHBondContact O-N 3.22Å; K560-F562 VanDerWaalsContact O-N 3.12Å; F562-V564 PolarHBondContact O-N 2.81Å
563S88.1Confident86.8Confident65 Ų6555.5 Ų55.546%0.45529%0.294SS..SBendtrans-66.5-27.1-17973.20000113.2A559 K560 P565 Q630A559-S563 PolarHBondContact O-N 3.44Å; K560-S563 VanDerWaalsContact O-CB 3.25Å; K560-S563 WeakPolarHBondContact O-CB 3.34Å; K560-S563 PolarHBondContact O-N 2.75Å; K560-S563 PolarHBondContact O-OG 2.77Å; S563-P565 WeakPolarHBondContact O-CD 3.38Å; S563-Q630 PolarHBondContact OG-O 2.93Å
564V89.4Confident87.3Confident29 Ų2947.9 Ų47.918%0.17627%0.266CS..SBendtrans-109.9102.2178-175.30000108.8F562 D566 F567 D570 Q630 N631F562-V564 PolarHBondContact O-N 2.81Å; V564-D566 VanDerWaalsContact C-N 3.28Å; V564-D566 PolarHBondContact O-N 2.63Å; V564-F567 HydrophobicContact CG1-CB 4.29Å; V564-D570 HydrophobicContact CG1-CB 4.11Å; V564-Q630 HydrophobicContact CG2-CB 4Å; V564-N631 HydrophobicContact CB-CB 4.37Å; V564-N631 HydrophobicContact CG2-CB 4.04Å
565P85.2Confident87.6Confident90 Ų9045.4 Ų45.458%0.58425%0.253SS*.THydrogen-bonded Turntrans-60.8-32.6-176-26.635000114.7S563S563-P565 WeakPolarHBondContact O-CD 3.38Å
566D90.6Very high88.1Confident26 Ų2641.1 Ų41.114%0.13923%0.225CC..THydrogen-bonded Turntrans-124.472.2176.1-175.112.1000110.8S499 L500 S501 V564 V568 G569 D570S499-D566 WeakPolarHBondContact O-CB 3.26Å; L500-D566 WeakPolarHBondContact CA-OD1 3.22Å; S501-D566 WeakPolarHBondContact CB-OD2 3.31Å; S501-D566 PolarHBondContact N-OD1 2.91Å; S501-D566 PolarHBondContact N-OD2 3.38Å; S501-D566 PolarHBondContact OG-OD2 3.17Å; V564-D566 VanDerWaalsContact C-N 3.28Å; V564-D566 PolarHBondContact O-N 2.63Å; D566-V568 PolarHBondContact O-N 2.92Å; D566-G569 PolarHBondContact O-N 3.02Å; D566-G569 PolarHBondContact OD1-N 2.92Å; D566-D570 WeakPolarHBondContact O-CB 3.33Å; D566-D570 PolarHBondContact O-N 2.89Å
567F91.6Very high88.5Confident8 Ų837.3 Ų37.34%0.03522%0.216CC..Hα-helixtrans-62.1-32.9179.778.2-86.3000112.9L500 L516 F523 W545 F547 V564 A571 N631 L633L500-F567 HydrophobicContact CD1-CE1 4.25Å; L500-F567 HydrophobicContact CD2-CD1 3.76Å; L500-F567 HydrophobicContact CD2-CE1 3.72Å; L516-F567 HydrophobicContact CD1-CD1 3.71Å; L516-F567 HydrophobicContact CD1-CE1 3.34Å; L516-F567 HydrophobicContact CD1-CZ 4.18Å; F523-F567 HydrophobicContact CE1-CE2 4.41Å; W545-F567 HydrophobicContact CD2-CE2 4.3Å; W545-F567 HydrophobicContact CE3-CE2 4.18Å; W545-F567 HydrophobicContact CH2-CE2 4.02Å; W545-F567 AromaticContact CH2-CZ 3.73Å; W545-F567 HydrophobicContact CH2-CZ 3.73Å; W545-F567 HydrophobicContact CZ2-CE2 4.1Å; W545-F567 AromaticContact CZ2-CZ 3.96Å; W545-F567 HydrophobicContact CZ2-CZ 3.96Å; W545-F567 HydrophobicContact CZ3-CE2 4.07Å; W545-F567 HydrophobicContact CZ3-CZ 4.13Å; F547-F567 HydrophobicContact CE2-CD2 4.27Å; F547-F567 HydrophobicContact CE2-CE1 4.36Å; F547-F567 AromaticContact CE2-CE2 3.99Å; F547-F567 HydrophobicContact CE2-CE2 3.99Å; F547-F567 HydrophobicContact CE2-CZ 4.04Å; F547-F567 HydrophobicContact CZ-CB 4.43Å; F547-F567 HydrophobicContact CZ-CD1 4.12Å; F547-F567 AromaticContact CZ-CD2 3.83Å; F547-F567 HydrophobicContact CZ-CD2 3.83Å; F547-F567 HydrophobicContact CZ-CE1 4.33Å; F547-F567 HydrophobicContact CZ-CE2 4.03Å; F547-F567 AromaticContact CZ-CG 3.86Å; F547-F567 HydrophobicContact CZ-CG 3.86Å; F547-F567 HydrophobicContact CZ-CZ 4.28Å; V564-F567 HydrophobicContact CG1-CB 4.29Å; F567-A571 WeakPolarHBondContact O-CB 3.5Å; F567-A571 PolarHBondContact O-N 3.02Å; F567-N631 VanDerWaalsContact CB-ND2 3.27Å; F567-N631 WeakPolarHBondContact CB-ND2 3.36Å; F567-L633 HydrophobicContact CD2-CD1 3.87Å; F567-L633 HydrophobicContact CD2-CD2 3.92Å; F567-L633 HydrophobicContact CD2-CG 4.46Å; F567-L633 HydrophobicContact CE2-CD1 4Å
568V90.5Very high88.9Confident10 Ų1040.7 Ų40.76%0.06123%0.227CC..Hα-helixtrans-65.9-48.1179.4179.40000109.7S501 K506 F523 D566 C572S501-V568 WeakPolarHBondContact O-CG1 3.44Å; K506-V568 HydrophobicContact CD-CG1 3.96Å; F523-V568 HydrophobicContact CB-CG1 4.21Å; F523-V568 HydrophobicContact CD1-CG1 4.17Å; F523-V568 HydrophobicContact CD1-CG2 4.29Å; F523-V568 HydrophobicContact CD2-CG1 4.23Å; F523-V568 HydrophobicContact CG-CG1 3.96Å; D566-V568 PolarHBondContact O-N 2.92Å; V568-C572 VanDerWaalsContact O-CB 3.32Å; V568-C572 WeakPolarHBondContact O-CB 3.43Å; V568-C572 PolarHBondContact O-N 3.05Å; V568-C572 PolarHBondContact O-SG 3.31Å
569G89.1Confident89.1Confident3 Ų340.1 Ų40.13%0.03122%0.223CC..Hα-helixtrans-64.7-43178.800000112.6S501 D566 K573S501-G569 VanDerWaalsContact OG-CA 3.32Å; S501-G569 WeakPolarHBondContact OG-CA 3.43Å; D566-G569 PolarHBondContact O-N 3.02Å; D566-G569 PolarHBondContact OD1-N 2.92Å; G569-K573 WeakPolarHBondContact O-CB 3.14Å; G569-K573 VanDerWaalsContact O-CG 3.27Å; G569-K573 WeakPolarHBondContact O-CG 3.1Å; G569-K573 PolarHBondContact O-N 3.28Å
570D90.5Very high89.4Confident78 Ų7843.2 Ų43.242%0.41722%0.224SC..Hα-helixtrans-63.9-48.1178.1-16861.4000111.8V564 D566 C572 K573 A574V564-D570 HydrophobicContact CG1-CB 4.11Å; D566-D570 WeakPolarHBondContact O-CB 3.33Å; D566-D570 PolarHBondContact O-N 2.89Å; D570-C572 PolarHBondContact O-N 3.18Å; D570-K573 PolarHBondContact O-N 2.81Å; D570-A574 WeakPolarHBondContact O-CB 3.41Å; D570-A574 PolarHBondContact O-N 2.85Å
571A90.5Very high89.5Confident1 Ų141 Ų411%0.00823%0.23CC..Hα-helixtrans-61.6-46.2176.700000112.1F523 F567 K573 A574 I575 F628 L633F523-A571 HydrophobicContact CZ-CB 3.91Å; F567-A571 WeakPolarHBondContact O-CB 3.5Å; F567-A571 PolarHBondContact O-N 3.02Å; A571-K573 PolarHBondContact O-N 3.4Å; A571-A574 PolarHBondContact O-N 3.3Å; A571-I575 WeakPolarHBondContact O-CB 3.47Å; A571-I575 WeakPolarHBondContact O-CG1 3.48Å; A571-I575 PolarHBondContact O-N 2.91Å; A571-F628 HydrophobicContact CB-CE1 4.35Å; A571-F628 HydrophobicContact CB-CE2 4.24Å; A571-F628 HydrophobicContact CB-CZ 3.94Å; A571-L633 HydrophobicContact CB-CD2 3.7Å
572C89.7Confident89.5Confident4 Ų442.1 Ų42.13%0.02724%0.239CC..Hα-helixtrans-61.5-42.4177.8-69.40000111.6F523 V568 D570 A576F523-C572 WeakPolarHBondContact CD2-SG 3.45Å; F523-C572 WeakPolarHBondContact CE2-SG 3.37Å; V568-C572 VanDerWaalsContact O-CB 3.32Å; V568-C572 WeakPolarHBondContact O-CB 3.43Å; V568-C572 PolarHBondContact O-N 3.05Å; V568-C572 PolarHBondContact O-SG 3.31Å; D570-C572 PolarHBondContact O-N 3.18Å; C572-A576 WeakPolarHBondContact O-CB 3.45Å; C572-A576 PolarHBondContact O-N 3.45Å
573K89.8Confident89.5Confident141 Ų14141.3 Ų41.361%0.61324%0.236SC*.Hα-helixtrans-64.3-46.2177-76.5173.8-175.3173.30112.1G569 D570 A571 S577G569-K573 WeakPolarHBondContact O-CB 3.14Å; G569-K573 VanDerWaalsContact O-CG 3.27Å; G569-K573 WeakPolarHBondContact O-CG 3.1Å; G569-K573 PolarHBondContact O-N 3.28Å; D570-K573 PolarHBondContact O-N 2.81Å; A571-K573 PolarHBondContact O-N 3.4Å; K573-S577 WeakPolarHBondContact O-CB 3.36Å; K573-S577 PolarHBondContact O-N 2.94Å
574A89.2Confident89.5Confident29 Ų2941 Ų4124%0.2424%0.237CC..Hα-helixtrans-61.8-47179.400000111.3D570 A571 S577 R578 F628D570-A574 WeakPolarHBondContact O-CB 3.41Å; D570-A574 PolarHBondContact O-N 2.85Å; A571-A574 PolarHBondContact O-N 3.3Å; A574-S577 WeakPolarHBondContact O-CB 3.4Å; A574-S577 PolarHBondContact O-N 3.27Å; A574-R578 WeakPolarHBondContact O-CG 3.29Å; A574-R578 PolarHBondContact O-N 3.46Å; A574-R578 VanDerWaalsContact O-N 3.15Å; A574-F628 HydrophobicContact CB-CE1 3.86Å; A574-F628 HydrophobicContact CB-CZ 4.24Å
575I90.4Very high89.4Confident0 Ų044.2 Ų44.20%026%0.261CS..Hα-helixtrans-67.2-46179-65.5168.6000111Y543 A571 S577 R578 V579 V603 F628 V635Y543-I575 HydrophobicContact CD1-CD1 3.86Å; Y543-I575 HydrophobicContact CD1-CG2 4.24Å; Y543-I575 HydrophobicContact CE1-CB 4.26Å; Y543-I575 HydrophobicContact CE1-CD1 4.02Å; Y543-I575 HydrophobicContact CE1-CG2 3.41Å; Y543-I575 VanDerWaalsContact CE1-CG2 3.41Å; Y543-I575 HydrophobicContact CG-CD1 4.31Å; A571-I575 WeakPolarHBondContact O-CB 3.47Å; A571-I575 WeakPolarHBondContact O-CG1 3.48Å; A571-I575 PolarHBondContact O-N 2.91Å; I575-S577 PolarHBondContact O-N 2.94Å; I575-R578 PolarHBondContact O-N 2.92Å; I575-R578 VanDerWaalsContact O-N 3.08Å; I575-V579 HydrophobicContact CG2-CG2 4.18Å; I575-V579 WeakPolarHBondContact O-CG2 3.24Å; I575-V579 PolarHBondContact O-N 3.23Å; I575-V603 HydrophobicContact CD1-CG1 4.42Å; I575-V603 HydrophobicContact CG1-CG1 4.08Å; I575-V603 HydrophobicContact CG2-CG1 4.2Å; I575-V603 HydrophobicContact CG2-CG2 3.55Å; I575-F628 HydrophobicContact CG1-CZ 4.41Å; I575-V635 HydrophobicContact CD1-CG2 4.21Å
576A88.7Confident89.6Confident4 Ų440.9 Ų40.93%0.03324%0.239CC..Hα-helixtrans-58.5-36.8177.200000112I527 C572 R580I527-A576 HydrophobicContact CB-CB 4.49Å; I527-A576 HydrophobicContact CG2-CB 3.69Å; C572-A576 WeakPolarHBondContact O-CB 3.45Å; C572-A576 PolarHBondContact O-N 3.45Å; A576-R580 WeakPolarHBondContact O-CB 3.36Å; A576-R580 WeakPolarHBondContact O-CG 3.27Å; A576-R580 PolarHBondContact O-N 2.97Å
577S89.9Confident89.5Confident73 Ų7343 Ų4351%0.5125%0.253SS..Hα-helixtrans-63.2-46.7174.2-166.90000112K573 A574 I575 R580 G581K573-S577 WeakPolarHBondContact O-CB 3.36Å; K573-S577 PolarHBondContact O-N 2.94Å; A574-S577 WeakPolarHBondContact O-CB 3.4Å; A574-S577 PolarHBondContact O-N 3.27Å; I575-S577 PolarHBondContact O-N 2.94Å; S577-R580 PolarHBondContact O-N 3.04Å; S577-G581 PolarHBondContact O-N 3.21Å
578R90Very high89.1Confident111 Ų11145 Ų4542%0.41926%0.262SS..Hα-helixtrans-61.6-44.9177.1-68.2177.6-170.8176.46.3112.2A574 I575 G581 A582 V603A574-R578 WeakPolarHBondContact O-CG 3.29Å; A574-R578 PolarHBondContact O-N 3.46Å; A574-R578 VanDerWaalsContact O-N 3.15Å; I575-R578 PolarHBondContact O-N 2.92Å; I575-R578 VanDerWaalsContact O-N 3.08Å; R578-G581 PolarHBondContact O-N 2.86Å; R578-A582 PolarHBondContact O-N 2.91Å; R578-V603 PolarHBondContact NH1-O 3.24Å
579V89.8Confident88.8Confident0 Ų048.7 Ų48.70%028%0.281CS..Hα-helixtrans-66-45.4179178.50000110.9I527 I529 L539 L541 I575 G581 A582 V583 I599 V603I527-V579 HydrophobicContact CD1-CB 3.92Å; I527-V579 HydrophobicContact CD1-CG1 3.74Å; I527-V579 HydrophobicContact CD1-CG2 4.45Å; I529-V579 HydrophobicContact CG2-CG1 4.21Å; L539-V579 HydrophobicContact CD1-CG1 3.96Å; L541-V579 HydrophobicContact CD1-CG2 4.38Å; I575-V579 HydrophobicContact CG2-CG2 4.18Å; I575-V579 WeakPolarHBondContact O-CG2 3.24Å; I575-V579 PolarHBondContact O-N 3.23Å; V579-G581 VanDerWaalsContact C-N 3.31Å; V579-G581 PolarHBondContact O-N 3.07Å; V579-A582 PolarHBondContact O-N 2.83Å; V579-V583 HydrophobicContact CG1-CG2 4.05Å; V579-V583 VanDerWaalsContact O-CG2 3.29Å; V579-V583 WeakPolarHBondContact O-CG2 3.37Å; V579-V583 PolarHBondContact O-N 3.01Å; V579-I599 HydrophobicContact CG1-CG1 4.13Å; V579-I599 HydrophobicContact CG2-CG2 4.1Å; V579-V603 HydrophobicContact CG2-CG2 3.84Å
580R90.5Very high88.6Confident114 Ų11451.9 Ų51.943%0.4330%0.298SS..Hα-helixtrans-56.9-44.5174.9-81.4-172.4-66-98.6-0.7111.9I529 A576 S577 A584I529-R580 HydrophobicContact CG2-CG 3.88Å; A576-R580 WeakPolarHBondContact O-CB 3.36Å; A576-R580 WeakPolarHBondContact O-CG 3.27Å; A576-R580 PolarHBondContact O-N 2.97Å; S577-R580 PolarHBondContact O-N 3.04Å; R580-A584 WeakPolarHBondContact O-CB 3.47Å; R580-A584 PolarHBondContact O-N 2.79Å; R580-A584 VanDerWaalsContact O-N 3.17Å
581G88.4Confident88.4Confident53 Ų5348.2 Ų48.255%0.54628%0.278SS..Hα-helixtrans-63.5-42.1178.900000113.6S577 R578 V579S577-G581 PolarHBondContact O-N 3.21Å; R578-G581 PolarHBondContact O-N 2.86Å; V579-G581 VanDerWaalsContact C-N 3.31Å; V579-G581 PolarHBondContact O-N 3.07Å
582A87.7Confident88.1Confident27 Ų2751.7 Ų51.722%0.22329%0.294CS..Hα-helixtrans-71.1-43.6179.300000112.6R578 V579 A584 S585 A602R578-A582 PolarHBondContact O-N 2.91Å; V579-A582 PolarHBondContact O-N 2.83Å; A582-A584 VanDerWaalsContact C-N 3.33Å; A582-A584 PolarHBondContact O-N 3.44Å; A582-S585 PolarHBondContact O-N 2.85Å; A582-S585 PolarHBondContact O-OG 3.48Å; A582-A602 HydrophobicContact CB-CB 3.39Å
583V89.6Confident87.7Confident1 Ų158 Ų581%0.00632%0.321CS..Hα-helixtrans-72-27.7-175.9-178.40000112.6I529 T531 V579 S585 V586 F591 I598I529-V583 HydrophobicContact CD1-CB 4.16Å; I529-V583 HydrophobicContact CD1-CG1 3.58Å; I529-V583 HydrophobicContact CD1-CG2 4.15Å; T531-V583 HydrophobicContact CG2-CG1 3.73Å; V579-V583 HydrophobicContact CG1-CG2 4.05Å; V579-V583 VanDerWaalsContact O-CG2 3.29Å; V579-V583 WeakPolarHBondContact O-CG2 3.37Å; V579-V583 PolarHBondContact O-N 3.01Å; V583-S585 PolarHBondContact O-N 2.85Å; V583-V586 PolarHBondContact O-N 2.77Å; V583-F591 HydrophobicContact CB-CD2 4.47Å; V583-F591 HydrophobicContact CB-CE2 4.4Å; V583-F591 HydrophobicContact CG1-CD2 3.93Å; V583-F591 HydrophobicContact CG1-CE2 4.12Å; V583-F591 HydrophobicContact CG1-CG 4.14Å; V583-F591 HydrophobicContact CG1-CZ 4.48Å; V583-F591 HydrophobicContact CG2-CD2 3.76Å; V583-F591 HydrophobicContact CG2-CE2 3.35Å; V583-F591 HydrophobicContact CG2-CZ 4.02Å; V583-I598 HydrophobicContact CG2-CG2 4.43Å
584A87.9Confident87.5Confident59 Ų5953.5 Ų53.549%0.48830%0.304SS..THydrogen-bonded Turntrans-57.7-19173.100000113.7A532 R580 A582A532-A584 WeakPolarHBondContact CA-O 3.2Å; R580-A584 WeakPolarHBondContact O-CB 3.47Å; R580-A584 PolarHBondContact O-N 2.79Å; R580-A584 VanDerWaalsContact O-N 3.17Å; A582-A584 VanDerWaalsContact C-N 3.33Å; A582-A584 PolarHBondContact O-N 3.44Å
585S87.9Confident87.3Confident96 Ų9653.2 Ų53.267%0.67130%0.3SS*.THydrogen-bonded Turntrans-95-4.7177.970.70000114.9A582 V583A582-S585 PolarHBondContact O-N 2.85Å; A582-S585 PolarHBondContact O-OG 3.48Å; V583-S585 PolarHBondContact O-N 2.85Å
586V88.4Confident87Confident21 Ų2156 Ų5613%0.12732%0.323CS..SBendtrans-119.8140.6-172.2-172.20000110.4T531 A532 V583 D590 F591 I598T531-V586 VanDerWaalsContact CB-O 3.31Å; T531-V586 WeakPolarHBondContact CB-O 3.46Å; A532-V586 PolarHBondContact N-O 2.79Å; V583-V586 PolarHBondContact O-N 2.77Å; V586-D590 HydrophobicContact CG1-CB 3.83Å; V586-D590 WeakPolarHBondContact CG1-OD2 3.21Å; V586-F591 HydrophobicContact CG1-CB 4.12Å; V586-I598 HydrophobicContact CG1-CD1 3.98Å; V586-I598 HydrophobicContact CG2-CD1 4.47Å
587T88.7Confident86.8Confident71 Ų7163.2 Ų63.244%0.43635%0.349SS..  trans-72.3156.6174.557.20000112.2D589 D590 F591T587-D589 PolarHBondContact O-N 2.8Å; T587-D590 PolarHBondContact O-N 2.84Å; T587-F591 WeakPolarHBondContact O-CB 3.27Å; T587-F591 PolarHBondContact O-N 3.4Å
588F83.9Confident86.6Confident49 Ų4961 Ų6122%0.21533%0.332CS..Hα-helixtrans-52.5-47.3-179.6173.3-105.7000114.5D533 A535 L537 F591 H592 L654D533-F588 PolarHBondContact OD1-N 2.89Å; D533-F588 WeakPolarHBondContact OD2-CB 3.35Å; D533-F588 PolarHBondContact OD2-N 3.49Å; A535-F588 HydrophobicContact CB-CB 3.93Å; A535-F588 HydrophobicContact CB-CD2 4.07Å; A535-F588 HydrophobicContact CB-CG 4.18Å; L537-F588 HydrophobicContact CD1-CD2 3.93Å; L537-F588 HydrophobicContact CD1-CE2 4.11Å; L537-F588 HydrophobicContact CD2-CD2 3.77Å; L537-F588 HydrophobicContact CD2-CE2 3.53Å; L537-F588 HydrophobicContact CG-CD2 4.36Å; L537-F588 HydrophobicContact CG-CE2 4.44Å; F588-F591 PolarHBondContact O-N 2.87Å; F588-H592 WeakPolarHBondContact O-CB 3.3Å; F588-H592 PolarHBondContact O-N 2.78Å; F588-L654 HydrophobicContact CE1-CD1 4.24Å; F588-L654 HydrophobicContact CZ-CD1 3.79Å
589D83.6Confident86.5Confident87 Ų8755.8 Ų55.847%0.46531%0.312SS..Hα-helixtrans-66.7-44.5-175.1-17544.9000112.5T587 F591 H592 K593T587-D589 PolarHBondContact O-N 2.8Å; D589-F591 VanDerWaalsContact C-N 3.34Å; D589-H592 PolarHBondContact O-N 2.88Å; D589-K593 WeakPolarHBondContact O-CG 3.45Å; D589-K593 PolarHBondContact O-N 2.96Å; D589-K593 VanDerWaalsContact O-N 3.09Å; D589-K593 VanDerWaalsContact OD1-CE 3.3Å; D589-K593 WeakPolarHBondContact OD1-CE 3.42Å; D589-K593 IonicContact OD1-NZ 3.95Å; D589-K593 PolarHBondContact OD1-NZ 2.98Å; D589-K593 IonicContact OD2-NZ 2.8Å; D589-K593 PolarHBondContact OD2-NZ 2.99Å
590D85.3Confident86.2Confident71 Ų7161.5 Ų61.538%0.3833%0.333SS..Hα-helixtrans-65.3-40.3175.3-172.830.7000111.2V586 T587 H592 K593 N594V586-D590 HydrophobicContact CG1-CB 3.83Å; V586-D590 WeakPolarHBondContact CG1-OD2 3.21Å; T587-D590 PolarHBondContact O-N 2.84Å; D590-H592 PolarHBondContact O-N 3.27Å; D590-K593 PolarHBondContact O-N 2.9Å; D590-N594 WeakPolarHBondContact O-CB 3.33Å; D590-N594 PolarHBondContact O-N 3.22Å; D590-N594 PolarHBondContact OD1-ND2 3.1Å
591F86.5Confident85.9Confident0 Ų057.6 Ų57.60%032%0.322CS..Hα-helixtrans-63.6-40174.3-178.8-101.8000112.4I529 L537 L539 V583 V586 T587 F588 D589 S595 I598 I599 V643I529-F591 HydrophobicContact CD1-CD1 4.49Å; I529-F591 HydrophobicContact CD1-CE1 3.75Å; I529-F591 HydrophobicContact CD1-CZ 3.77Å; L537-F591 HydrophobicContact CD1-CD1 3.48Å; L537-F591 VanDerWaalsContact CD1-CD1 3.48Å; L537-F591 HydrophobicContact CD1-CE1 3.58Å; L539-F591 HydrophobicContact CD1-CZ 4.06Å; L539-F591 HydrophobicContact CD2-CE1 3.92Å; L539-F591 HydrophobicContact CD2-CZ 3.85Å; V583-F591 HydrophobicContact CB-CD2 4.47Å; V583-F591 HydrophobicContact CB-CE2 4.4Å; V583-F591 HydrophobicContact CG1-CD2 3.93Å; V583-F591 HydrophobicContact CG1-CE2 4.12Å; V583-F591 HydrophobicContact CG1-CG 4.14Å; V583-F591 HydrophobicContact CG1-CZ 4.48Å; V583-F591 HydrophobicContact CG2-CD2 3.76Å; V583-F591 HydrophobicContact CG2-CE2 3.35Å; V583-F591 HydrophobicContact CG2-CZ 4.02Å; V586-F591 HydrophobicContact CG1-CB 4.12Å; T587-F591 WeakPolarHBondContact O-CB 3.27Å; T587-F591 PolarHBondContact O-N 3.4Å; F588-F591 PolarHBondContact O-N 2.87Å; D589-F591 VanDerWaalsContact C-N 3.34Å; F591-S595 WeakPolarHBondContact O-CA 3.09Å; F591-S595 WeakPolarHBondContact O-CB 3.45Å; F591-S595 PolarHBondContact O-N 2.88Å; F591-I598 HydrophobicContact CB-CD1 4.43Å; F591-I598 HydrophobicContact CD2-CB 4.39Å; F591-I598 HydrophobicContact CD2-CD1 3.96Å; F591-I598 HydrophobicContact CD2-CG2 4.2Å; F591-I598 HydrophobicContact CE2-CG2 4.35Å; F591-I599 HydrophobicContact CE2-CD1 4.17Å; F591-I599 HydrophobicContact CE2-CG1 4.07Å; F591-I599 HydrophobicContact CZ-CD1 3.92Å; F591-I599 HydrophobicContact CZ-CG1 4.3Å; F591-V643 HydrophobicContact CE1-CG1 4.03Å
592H83.7Confident85.8Confident74 Ų7456.2 Ų56.234%0.34331%0.305SS..Hα-helixtrans-64.7-43.5179-172.466.3000111.8F588 D589 D590F588-H592 WeakPolarHBondContact O-CB 3.3Å; F588-H592 PolarHBondContact O-N 2.78Å; D589-H592 PolarHBondContact O-N 2.88Å; D590-H592 PolarHBondContact O-N 3.27Å
593K81.9Confident85.7Confident138 Ų13855 Ų5560%0.630%0.295SS*.Hα-helixtrans-69.3-38.1178.1-71168.6-178.6161.20113.1D589 D590D589-K593 WeakPolarHBondContact O-CG 3.45Å; D589-K593 PolarHBondContact O-N 2.96Å; D589-K593 VanDerWaalsContact O-N 3.09Å; D589-K593 VanDerWaalsContact OD1-CE 3.3Å; D589-K593 WeakPolarHBondContact OD1-CE 3.42Å; D589-K593 IonicContact OD1-NZ 3.95Å; D589-K593 PolarHBondContact OD1-NZ 2.98Å; D589-K593 IonicContact OD2-NZ 2.8Å; D589-K593 PolarHBondContact OD2-NZ 2.99Å; D590-K593 PolarHBondContact O-N 2.9Å
594N85Confident85.5Confident46 Ų4655.3 Ų55.325%0.24630%0.297CS..Hα-helixtrans-114.619.7-171.6-67.5-49000113.8D590 A596 R597 I598D590-N594 WeakPolarHBondContact O-CB 3.33Å; D590-N594 PolarHBondContact O-N 3.22Å; D590-N594 PolarHBondContact OD1-ND2 3.1Å; N594-A596 PolarHBondContact O-N 2.95Å; N594-R597 PolarHBondContact ND2-NH2 3.24Å; N594-R597 PolarHBondContact O-N 3.43Å; N594-I598 HydrophobicContact CB-CD1 3.8Å; N594-I598 HydrophobicContact CB-CG1 4.18Å; N594-I598 WeakPolarHBondContact O-CG1 3.3Å; N594-I598 PolarHBondContact O-N 3.43Å
595S84.6Confident85.1Confident22 Ų2253.8 Ų53.815%0.15429%0.287CS..Hα-helixtrans-50.8-53.6-171.1510000113.1F591 R597 I598 I599F591-S595 WeakPolarHBondContact O-CA 3.09Å; F591-S595 WeakPolarHBondContact O-CB 3.45Å; F591-S595 PolarHBondContact O-N 2.88Å; S595-R597 VanDerWaalsContact C-N 3.31Å; S595-R597 PolarHBondContact O-N 3.49Å; S595-I598 PolarHBondContact O-N 2.94Å; S595-I599 WeakPolarHBondContact O-CB 3.44Å; S595-I599 WeakPolarHBondContact O-CD1 3.43Å; S595-I599 VanDerWaalsContact O-CG1 3.32Å; S595-I599 WeakPolarHBondContact O-CG1 3.33Å; S595-I599 PolarHBondContact O-N 3.47Å
596A84.2Confident84.3Confident59 Ų5954.4 Ų54.449%0.48828%0.278SS..Hα-helixtrans-58.6-41.8179.400000112.1N594 R600N594-A596 PolarHBondContact O-N 2.95Å; A596-R600 WeakPolarHBondContact O-CB 3.24Å; A596-R600 PolarHBondContact O-N 3.17Å
597R84.8Confident82.9Confident156 Ų15658.1 Ų58.159%0.58929%0.294SS*.Hα-helixtrans-67.5-48.6179.5-174.6174.765.2158.50.9111.4N594 S595 I599 R600 T601N594-R597 PolarHBondContact ND2-NH2 3.24Å; N594-R597 PolarHBondContact O-N 3.43Å; S595-R597 VanDerWaalsContact C-N 3.31Å; S595-R597 PolarHBondContact O-N 3.49Å; R597-I599 PolarHBondContact O-N 2.84Å; R597-R600 PolarHBondContact O-N 3.47Å; R597-T601 WeakPolarHBondContact O-CB 3.24Å; R597-T601 PolarHBondContact O-N 2.91Å; R597-T601 PolarHBondContact O-OG1 2.98Å
598I86.2Confident81.1Confident27 Ų2760.6 Ų60.614%0.13831%0.308CS..Hα-helixtrans-62.3-46.3-178.3-66.7160.6000110.7V583 V586 F591 N594 S595 T601 A602V583-I598 HydrophobicContact CG2-CG2 4.43Å; V586-I598 HydrophobicContact CG1-CD1 3.98Å; V586-I598 HydrophobicContact CG2-CD1 4.47Å; F591-I598 HydrophobicContact CB-CD1 4.43Å; F591-I598 HydrophobicContact CD2-CB 4.39Å; F591-I598 HydrophobicContact CD2-CD1 3.96Å; F591-I598 HydrophobicContact CD2-CG2 4.2Å; F591-I598 HydrophobicContact CE2-CG2 4.35Å; N594-I598 HydrophobicContact CB-CD1 3.8Å; N594-I598 HydrophobicContact CB-CG1 4.18Å; N594-I598 WeakPolarHBondContact O-CG1 3.3Å; N594-I598 PolarHBondContact O-N 3.43Å; S595-I598 PolarHBondContact O-N 2.94Å; I598-T601 PolarHBondContact O-N 2.72Å; I598-A602 VanDerWaalsContact O-CB 3.32Å; I598-A602 WeakPolarHBondContact O-CB 3.48Å; I598-A602 PolarHBondContact O-N 3.36Å
599I87.1Confident79.4Confident1 Ų162 Ų621%0.00533%0.325CS..Hα-helixtrans-63.4-48.2178.8-69.5164.7000110.1L539 L541 V579 F591 S595 R597 T601 A602 V603 V638 V640L539-I599 HydrophobicContact CD1-CD1 4.15Å; L539-I599 HydrophobicContact CD2-CD1 4.43Å; L541-I599 HydrophobicContact CD1-CG2 4.45Å; L541-I599 HydrophobicContact CD2-CD1 4.03Å; L541-I599 HydrophobicContact CD2-CG2 4.44Å; V579-I599 HydrophobicContact CG1-CG1 4.13Å; V579-I599 HydrophobicContact CG2-CG2 4.1Å; F591-I599 HydrophobicContact CE2-CD1 4.17Å; F591-I599 HydrophobicContact CE2-CG1 4.07Å; F591-I599 HydrophobicContact CZ-CD1 3.92Å; F591-I599 HydrophobicContact CZ-CG1 4.3Å; S595-I599 WeakPolarHBondContact O-CB 3.44Å; S595-I599 WeakPolarHBondContact O-CD1 3.43Å; S595-I599 VanDerWaalsContact O-CG1 3.32Å; S595-I599 WeakPolarHBondContact O-CG1 3.33Å; S595-I599 PolarHBondContact O-N 3.47Å; R597-I599 PolarHBondContact O-N 2.84Å; I599-T601 VanDerWaalsContact C-N 3.33Å; I599-T601 PolarHBondContact O-N 3.05Å; I599-A602 WeakPolarHBondContact O-CB 3.21Å; I599-A602 PolarHBondContact O-N 2.7Å; I599-A602 VanDerWaalsContact O-N 3.12Å; I599-V603 HydrophobicContact CG2-CG2 4.32Å; I599-V603 WeakPolarHBondContact O-CG2 3.35Å; I599-V603 PolarHBondContact O-N 2.88Å; I599-V638 HydrophobicContact CG2-CG1 3.77Å; I599-V640 HydrophobicContact CD1-CG1 4.38Å; I599-V640 HydrophobicContact CD1-CG2 3.51Å
600R84.9Confident77.6Confident119 Ų11967.1 Ų67.145%0.44935%0.346SS..Hα-helixtrans-58-45.7179.4-166.9176.3-148.6152.37.3112A596 R597 V603 F604A596-R600 WeakPolarHBondContact O-CB 3.24Å; A596-R600 PolarHBondContact O-N 3.17Å; R597-R600 PolarHBondContact O-N 3.47Å; R600-V603 PolarHBondContact O-N 3.31Å; R600-F604 HydrophobicContact CG-CD2 3.5Å; R600-F604 VanDerWaalsContact CG-CD2 3.5Å; R600-F604 HydrophobicContact CG-CE2 3.6Å; R600-F604 WeakPolarHBondContact O-CD2 3.29Å; R600-F604 PolarHBondContact O-N 3.15Å
601T83.9Confident75.5Confident33 Ų3367.2 Ų67.220%0.20236%0.356CS..Hα-helixtrans-63.8-40175.6-590000112.1R597 I598 I599 G605 F606R597-T601 WeakPolarHBondContact O-CB 3.24Å; R597-T601 PolarHBondContact O-N 2.91Å; R597-T601 PolarHBondContact O-OG1 2.98Å; I598-T601 PolarHBondContact O-N 2.72Å; I599-T601 VanDerWaalsContact C-N 3.33Å; I599-T601 PolarHBondContact O-N 3.05Å; T601-G605 VanDerWaalsContact O-CA 3.27Å; T601-G605 WeakPolarHBondContact O-CA 3.3Å; T601-G605 PolarHBondContact O-N 3.32Å; T601-F606 HydrophobicContact CG2-CD1 4.4Å; T601-F606 HydrophobicContact CG2-CE1 3.64Å; T601-F606 HydrophobicContact CG2-CE2 3.76Å; T601-F606 HydrophobicContact CG2-CZ 3.27Å
602A85.9Confident73.1Confident23 Ų2377.1 Ų77.119%0.1940%0.4CS..Hα-helixtrans-64.9-39.2178.200000112.7A582 I598 I599A582-A602 HydrophobicContact CB-CB 3.39Å; I598-A602 VanDerWaalsContact O-CB 3.32Å; I598-A602 WeakPolarHBondContact O-CB 3.48Å; I598-A602 PolarHBondContact O-N 3.36Å; I599-A602 WeakPolarHBondContact O-CB 3.21Å; I599-A602 PolarHBondContact O-N 2.7Å; I599-A602 VanDerWaalsContact O-N 3.12Å
603V85.6Confident71.1Confident1 Ų175.7 Ų75.71%0.00641%0.405CS..Hα-helixtrans-77.8-49.9-176.9179.90000112I575 R578 V579 I599 R600 A626 V638I575-V603 HydrophobicContact CD1-CG1 4.42Å; I575-V603 HydrophobicContact CG1-CG1 4.08Å; I575-V603 HydrophobicContact CG2-CG1 4.2Å; I575-V603 HydrophobicContact CG2-CG2 3.55Å; R578-V603 PolarHBondContact NH1-O 3.24Å; V579-V603 HydrophobicContact CG2-CG2 3.84Å; I599-V603 HydrophobicContact CG2-CG2 4.32Å; I599-V603 WeakPolarHBondContact O-CG2 3.35Å; I599-V603 PolarHBondContact O-N 2.88Å; R600-V603 PolarHBondContact O-N 3.31Å; V603-A626 HydrophobicContact CG1-CB 4.35Å; V603-V638 HydrophobicContact CB-CG2 4.16Å; V603-V638 HydrophobicContact CG1-CG2 3.92Å; V603-V638 HydrophobicContact CG2-CG2 4.19Å
604F85.9Confident69.8Low9 Ų975.5 Ų75.54%0.03942%0.418CS..Hα-helixtrans-85.2-21.3-174.2-58.4-42.3000113.4R600 R623 Q625 A626 V635 V638R600-F604 HydrophobicContact CG-CD2 3.5Å; R600-F604 VanDerWaalsContact CG-CD2 3.5Å; R600-F604 HydrophobicContact CG-CE2 3.6Å; R600-F604 WeakPolarHBondContact O-CD2 3.29Å; R600-F604 PolarHBondContact O-N 3.15Å; F604-R623 HydrophobicContact CB-CB 4.06Å; F604-R623 WeakPolarHBondContact CB-O 3.41Å; F604-R623 VanDerWaalsContact CD2-O 3.31Å; F604-R623 WeakPolarHBondContact CD2-O 3.3Å; F604-R623 WeakPolarHBondContact CG-O 3.31Å; F604-R623 WeakPolarHBondContact O-CD 3.48Å; F604-Q625 VanDerWaalsContact CD1-C 3.49Å; F604-A626 HydrophobicContact CD1-CB 3.69Å; F604-A626 VanDerWaalsContact CD1-N 3.34Å; F604-A626 HydrophobicContact CE1-CB 4.03Å; F604-V635 HydrophobicContact CE1-CG1 4.19Å; F604-V635 VanDerWaalsContact CE1-O 3.31Å; F604-V635 WeakPolarHBondContact CE1-O 3.43Å; F604-V638 HydrophobicContact CE1-CG2 4.26Å; F604-V638 HydrophobicContact CZ-CG2 3.86Å
605G78.4Confident67.9Low27 Ų2780 Ų8028%0.27844%0.441SS..  trans68-173.2-172.400000112T601 P622 R623T601-G605 VanDerWaalsContact O-CA 3.27Å; T601-G605 WeakPolarHBondContact O-CA 3.3Å; T601-G605 PolarHBondContact O-N 3.32Å; G605-P622 CarbonylContact O-C 3.59Å; G605-P622 VanDerWaalsContact O-CA 3.25Å; G605-P622 WeakPolarHBondContact O-CA 3.32Å; G605-R623 PolarHBondContact O-N 2.9Å
606F71.6Confident66.2Low109 Ų10983 Ų8348%0.47848%0.476SS..BIsolated β-bridgetrans-95.8146.1177.7-66.8-72.3000110.8T601 T608 P620T601-F606 HydrophobicContact CG2-CD1 4.4Å; T601-F606 HydrophobicContact CG2-CE1 3.64Å; T601-F606 HydrophobicContact CG2-CE2 3.76Å; T601-F606 HydrophobicContact CG2-CZ 3.27Å; F606-T608 PolarHBondContact O-N 2.8Å; F606-P620 HydrophobicContact CB-CB 4.05Å; F606-P620 HydrophobicContact CB-CG 4.36Å; F606-P620 HydrophobicContact CD1-CB 3.79Å; F606-P620 HydrophobicContact CD1-CG 3.62Å; F606-P620 VanDerWaalsContact CD1-O 3.31Å; F606-P620 WeakPolarHBondContact CD1-O 3.43Å; F606-P620 HydrophobicContact CE1-CG 4.05Å; F606-P620 HydrophobicContact CG-CB 4.18Å; F606-P620 HydrophobicContact CG-CG 4.04Å
607E58.3Low64.1Low99 Ų9988.9 Ų88.946%0.46350%0.496SS..  trans-59.7124.2164-78.7-175.5153.200109.5S609 R621 R623E607-S609 PolarHBondContact O-N 2.9Å; E607-R621 PolarHBondContact N-O 3.35Å; E607-R623 HydrophobicContact CG-CG 3.8Å
608T52Low62.2Low122 Ų12285.5 Ų85.575%0.74850%0.502SS*.  trans-6975.4165.640.20000108.1F606 E610F606-T608 PolarHBondContact O-N 2.8Å; T608-E610 PolarHBondContact O-N 3.34Å
609S47.1Very low60.4Low80 Ų8091.7 Ų91.756%0.55953%0.534SS*.  trans-87.995.5168.9-151.20000108.2E607 A611E607-S609 PolarHBondContact O-N 2.9Å; S609-A611 PolarHBondContact O-N 3.33Å; S609-A611 WeakPolarHBondContact OG-CB 3.39Å; S609-A611 PolarHBondContact OG-N 2.93Å
610E46.3Very low58.8Low194 Ų19495 Ų9591%0.90756%0.555SS**  trans-66.93.2153.8-72.5-170.3151.200111.7T608 K612T608-E610 PolarHBondContact O-N 3.34Å; E610-K612 PolarHBondContact O-N 2.86Å
611A41.3Very low57.5Low73 Ų7398.4 Ų98.460%0.60357%0.568SS**  trans-73.795.4168.700000109.1S609 G613S609-A611 PolarHBondContact O-N 3.33Å; S609-A611 WeakPolarHBondContact OG-CB 3.39Å; S609-A611 PolarHBondContact OG-N 2.93Å; A611-G613 PolarHBondContact O-N 2.86Å
612K37Very low56.5Low208 Ų20899.1 Ų99.190%0.90457%0.573SS**  trans-52.893.2156.6-70.8179.9179.1176.80108.1E610E610-K612 PolarHBondContact O-N 2.86Å
613G40.1Very low56Low44 Ų44103.5 Ų103.545%0.45459%0.585SS.*  trans-61.2150162.500000109.4A611 D615A611-G613 PolarHBondContact O-N 2.86Å; G613-D615 PolarHBondContact O-N 2.86Å; G613-D615 VanDerWaalsContact O-N 3.13Å
614P55.2Low55.6Low134 Ų134109.4 Ų109.487%0.8762%0.617SS**SBendtrans-61.8-24.7-170.3-20.831.7000114.6
615D45.1Very low55.5Low139 Ų139113.2 Ų113.274%0.74363%0.634SS**SBendtrans-117.8112.4-176.6-62.7-38.9000110.1G613 M617G613-D615 PolarHBondContact O-N 2.86Å; G613-D615 VanDerWaalsContact O-N 3.13Å; D615-M617 PolarHBondContact O-N 2.82Å
616G48.7Very low55.8Low86 Ų86112.2 Ų112.289%0.88762%0.623SS**SBendtrans-67.741.7-166.700000118.1
617M41.5Very low56.5Low182 Ų182110.4 Ų110.490%0.89762%0.621SS**  trans-141.432.8173.9-89.8-158.2-151.500113.8D615 L619D615-M617 PolarHBondContact O-N 2.82Å; M617-L619 PolarHBondContact O-N 2.97Å
618A43.9Very low58Low86 Ų86106.3 Ų106.371%0.71160%0.602SS**  trans-78.7103.9169.800000110
619L47.6Very low59.6Low157 Ų157105.2 Ų105.282%0.82260%0.597SS**PPolyproline II helixtrans-53.5124.6165.4-89120.2000108.4M617 R621M617-L619 PolarHBondContact O-N 2.97Å; L619-R621 PolarHBondContact O-N 3.46Å
620P53.8Low61.4Low69 Ų69106.5 Ų106.545%0.44859%0.594SS.*PPolyproline II helixtrans-59.2129.818020.1-28.6000109.4F606F606-P620 HydrophobicContact CB-CB 4.05Å; F606-P620 HydrophobicContact CB-CG 4.36Å; F606-P620 HydrophobicContact CD1-CB 3.79Å; F606-P620 HydrophobicContact CD1-CG 3.62Å; F606-P620 VanDerWaalsContact CD1-O 3.31Å; F606-P620 WeakPolarHBondContact CD1-O 3.43Å; F606-P620 HydrophobicContact CE1-CG 4.05Å; F606-P620 HydrophobicContact CG-CB 4.18Å; F606-P620 HydrophobicContact CG-CG 4.04Å
621R58.1Low63.4Low192 Ų19297.7 Ų97.773%0.72555%0.553SS**PPolyproline II helixtrans-68.7137.7177.5-72.3-177179.3-176.20.2108.8E607 L619E607-R621 PolarHBondContact N-O 3.35Å; L619-R621 PolarHBondContact O-N 3.46Å
622P63.7Low65.6Low47 Ų4795 Ų9531%0.30553%0.533SS..BIsolated β-bridgetrans-61.2142.7168.826.2-30.7000108.5G605G605-P622 CarbonylContact O-C 3.59Å; G605-P622 VanDerWaalsContact O-CA 3.25Å; G605-P622 WeakPolarHBondContact O-CA 3.32Å
623R73.7Confident68.1Low115 Ų11585.2 Ų85.243%0.43449%0.49SS..PPolyproline II helixtrans-59.8151.1172.1-69.7178.2173.4176.2-2.1109.5F604 G605 E607 Q625F604-R623 HydrophobicContact CB-CB 4.06Å; F604-R623 WeakPolarHBondContact CB-O 3.41Å; F604-R623 VanDerWaalsContact CD2-O 3.31Å; F604-R623 WeakPolarHBondContact CD2-O 3.3Å; F604-R623 WeakPolarHBondContact CG-O 3.31Å; F604-R623 WeakPolarHBondContact O-CD 3.48Å; G605-R623 PolarHBondContact O-N 2.9Å; E607-R623 HydrophobicContact CG-CG 3.8Å; R623-Q625 VanDerWaalsContact C-N 3.32Å
624D78.9Confident70.6Confident126 Ų12683.1 Ų83.167%0.67447%0.469SS*.SBendtrans-78.5-20.5179.4-69-29.4000112.7S636D624-S636 VanDerWaalsContact O-O 3.12Å
625Q83.2Confident72.3Confident88 Ų8876.7 Ų76.741%0.41143%0.427SS..  trans-147151.6-174.462.6-17320.200113.3F604 R623 V627 V634 V635F604-Q625 VanDerWaalsContact CD1-C 3.49Å; R623-Q625 VanDerWaalsContact C-N 3.32Å; Q625-V627 HydrophobicContact CG-CG2 4.32Å; Q625-V634 HydrophobicContact CB-CG1 3.84Å; Q625-V634 HydrophobicContact CG-CG1 4.22Å; Q625-V635 VanDerWaalsContact CA-O 3.31Å; Q625-V635 WeakPolarHBondContact CA-O 3.16Å
626A85.4Confident74.3Confident6 Ų672.3 Ų72.35%0.0541%0.407CS..EExtended strand (participates in β ladder)trans-108.2118.5169.900000109.7V603 F604 V635V603-A626 HydrophobicContact CG1-CB 4.35Å; F604-A626 HydrophobicContact CD1-CB 3.69Å; F604-A626 VanDerWaalsContact CD1-N 3.34Å; F604-A626 HydrophobicContact CE1-CB 4.03Å; A626-V635 HydrophobicContact CB-CB 4.36Å; A626-V635 PolarHBondContact N-O 2.73Å; A626-V635 PolarHBondContact O-N 2.89Å
627V86.6Confident76.2Confident72 Ų7269 Ų6944%0.43637%0.371SS..EExtended strand (participates in β ladder)trans-100.8131.5179.9-175.20000109.8Q625 P629 V634Q625-V627 HydrophobicContact CG-CG2 4.32Å; V627-P629 WeakPolarHBondContact O-CD 3.41Å; V627-V634 HydrophobicContact CG1-CG2 4.41Å; V627-V634 HydrophobicContact CG2-CG1 4.45Å; V627-V634 HydrophobicContact CG2-CG2 4.23Å
628F89.3Confident78.4Confident13 Ų1360.9 Ų60.96%0.05733%0.331CS..EExtended strand (participates in β ladder)trans-100.497.5170.2-68.1-100.3000108.4A571 A574 I575 Q630 N631 G632 L633 V635A571-F628 HydrophobicContact CB-CE1 4.35Å; A571-F628 HydrophobicContact CB-CE2 4.24Å; A571-F628 HydrophobicContact CB-CZ 3.94Å; A574-F628 HydrophobicContact CB-CE1 3.86Å; A574-F628 HydrophobicContact CB-CZ 4.24Å; I575-F628 HydrophobicContact CG1-CZ 4.41Å; F628-Q630 PolarHBondContact O-N 3.4Å; F628-Q630 VanDerWaalsContact O-N 3.09Å; F628-N631 PolarHBondContact O-N 2.82Å; F628-N631 PolarHBondContact O-OD1 3.44Å; F628-G632 PolarHBondContact O-N 3.44Å; F628-L633 HydrophobicContact CB-CB 4.13Å; F628-L633 HydrophobicContact CD2-CB 4.37Å; F628-L633 HydrophobicContact CD2-CD2 3.93Å; F628-L633 HydrophobicContact CD2-CG 4.28Å; F628-L633 HydrophobicContact CE2-CD2 4.29Å; F628-L633 HydrophobicContact CG-CD2 4.38Å; F628-L633 PolarHBondContact N-O 3.5Å; F628-V635 HydrophobicContact CE2-CG2 3.95Å
629P85.1Confident80.6Confident98 Ų9860.3 Ų60.364%0.63632%0.316SS*.THydrogen-bonded Turntrans-66-15.5-17126.4-35.6000114V627V627-P629 WeakPolarHBondContact O-CD 3.41Å
630Q85.2Confident82.5Confident107 Ų10754.7 Ų54.750%0.529%0.289SS..THydrogen-bonded Turntrans-66.7-36.8-178.6-65.279.75.800112.5S563 V564 F628S563-Q630 PolarHBondContact OG-O 2.93Å; V564-Q630 HydrophobicContact CG2-CB 4Å; F628-Q630 PolarHBondContact O-N 3.4Å; F628-Q630 VanDerWaalsContact O-N 3.09Å
631N88Confident84.1Confident9 Ų956 Ų565%0.04829%0.289CS..THydrogen-bonded Turntrans-132.41-17765.9-11.5000114.5F547 K560 V564 F567 F628 L633F547-N631 WeakPolarHBondContact CD1-O 3.42Å; F547-N631 HydrophobicContact CE1-CB 4.27Å; K560-N631 VanDerWaalsContact O-CA 3.29Å; K560-N631 WeakPolarHBondContact O-CA 3.08Å; K560-N631 WeakPolarHBondContact O-CB 3.47Å; V564-N631 HydrophobicContact CB-CB 4.37Å; V564-N631 HydrophobicContact CG2-CB 4.04Å; F567-N631 VanDerWaalsContact CB-ND2 3.27Å; F567-N631 WeakPolarHBondContact CB-ND2 3.36Å; F628-N631 PolarHBondContact O-N 2.82Å; F628-N631 PolarHBondContact O-OD1 3.44Å; N631-L633 VanDerWaalsContact C-N 3.32Å; N631-L633 VanDerWaalsContact OD1-CB 3.31Å; N631-L633 WeakPolarHBondContact OD1-CB 3.49Å; N631-L633 PolarHBondContact OD1-N 2.89Å; N631-L633 VanDerWaalsContact OD1-N 3.15Å
632G86.7Confident85.4Confident18 Ų1848.1 Ų48.119%0.18626%0.263CS..THydrogen-bonded Turntrans76.416.4-178.900000114.1E548 F628 V634E548-G632 PolarHBondContact N-O 2.86Å; F628-G632 PolarHBondContact O-N 3.44Å; G632-V634 PolarHBondContact O-N 3.41Å
633L91Very high86.5Confident1 Ų147.5 Ų47.51%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-70.3126.8174.9177.776.2000110.1W545 F547 F567 A571 F628 N631W545-L633 HydrophobicContact CB-CD1 3.96Å; W545-L633 HydrophobicContact CD2-CD1 4.06Å; W545-L633 HydrophobicContact CE3-CD1 3.63Å; W545-L633 HydrophobicContact CG-CD1 4.23Å; W545-L633 HydrophobicContact CZ3-CD1 4.49Å; F547-L633 HydrophobicContact CD1-CB 4.24Å; F547-L633 HydrophobicContact CE1-CB 3.87Å; F547-L633 HydrophobicContact CE1-CD1 4.24Å; F547-L633 HydrophobicContact CE2-CD1 4.15Å; F547-L633 HydrophobicContact CZ-CB 4.39Å; F547-L633 HydrophobicContact CZ-CD1 4.01Å; F567-L633 HydrophobicContact CD2-CD1 3.87Å; F567-L633 HydrophobicContact CD2-CD2 3.92Å; F567-L633 HydrophobicContact CD2-CG 4.46Å; F567-L633 HydrophobicContact CE2-CD1 4Å; A571-L633 HydrophobicContact CB-CD2 3.7Å; F628-L633 HydrophobicContact CB-CB 4.13Å; F628-L633 HydrophobicContact CD2-CB 4.37Å; F628-L633 HydrophobicContact CD2-CD2 3.93Å; F628-L633 HydrophobicContact CD2-CG 4.28Å; F628-L633 HydrophobicContact CE2-CD2 4.29Å; F628-L633 HydrophobicContact CG-CD2 4.38Å; F628-L633 PolarHBondContact N-O 3.5Å; N631-L633 VanDerWaalsContact C-N 3.32Å; N631-L633 VanDerWaalsContact OD1-CB 3.31Å; N631-L633 WeakPolarHBondContact OD1-CB 3.49Å; N631-L633 PolarHBondContact OD1-N 2.89Å; N631-L633 VanDerWaalsContact OD1-N 3.15Å
634V91.2Very high87.1Confident0 Ų045.3 Ų45.30%025%0.253CS..EExtended strand (participates in β ladder)trans-115.5120.4176.2-176.20000108.9W545 H546 E548 Q625 V627 G632W545-V634 CarbonylContact C-O 3.58Å; W545-V634 WeakPolarHBondContact CA-O 3.39Å; H546-V634 PolarHBondContact N-O 2.96Å; H546-V634 PolarHBondContact O-N 3.29Å; E548-V634 HydrophobicContact CB-CG2 3.83Å; Q625-V634 HydrophobicContact CB-CG1 3.84Å; Q625-V634 HydrophobicContact CG-CG1 4.22Å; V627-V634 HydrophobicContact CG1-CG2 4.41Å; V627-V634 HydrophobicContact CG2-CG1 4.45Å; V627-V634 HydrophobicContact CG2-CG2 4.23Å; G632-V634 PolarHBondContact O-N 3.41Å
635V91.1Very high87.4Confident0 Ų039.9 Ų39.90%023%0.225CC..EExtended strand (participates in β ladder)trans-92.2112169.51800000107.6N544 W545 I575 F604 Q625 A626 F628 V638N544-V635 CarbonylContact O-C 3.58Å; N544-V635 WeakPolarHBondContact O-CA 3.38Å; W545-V635 HydrophobicContact CB-CG2 4.49Å; I575-V635 HydrophobicContact CD1-CG2 4.21Å; F604-V635 HydrophobicContact CE1-CG1 4.19Å; F604-V635 VanDerWaalsContact CE1-O 3.31Å; F604-V635 WeakPolarHBondContact CE1-O 3.43Å; Q625-V635 VanDerWaalsContact CA-O 3.31Å; Q625-V635 WeakPolarHBondContact CA-O 3.16Å; A626-V635 HydrophobicContact CB-CB 4.36Å; A626-V635 PolarHBondContact N-O 2.73Å; A626-V635 PolarHBondContact O-N 2.89Å; F628-V635 HydrophobicContact CE2-CG2 3.95Å; V635-V638 HydrophobicContact CG1-CG2 4.08Å
636S88.1Confident87.4Confident46 Ų4638 Ų3832%0.32222%0.219SC..EExtended strand (participates in β ladder)trans-89.4-31.1-174.856.40000113.1N544 D624N544-S636 PolarHBondContact O-N 3Å; N544-S636 PolarHBondContact O-OG 3.36Å; D624-S636 VanDerWaalsContact O-O 3.12Å
637S87.9Confident87.1Confident17 Ų1742 Ų4212%0.11924%0.24CC..EExtended strand (participates in β ladder)trans-150.2155.9173.382.80000112.2N544N544-S637 WeakPolarHBondContact CB-OG 3.32Å; N544-S637 PolarHBondContact N-O 2.83Å; N544-S637 PolarHBondContact ND2-OG 2.89Å; N544-S637 PolarHBondContact O-N 2.94Å
638V88.9Confident86.8Confident11 Ų1143.5 Ų43.57%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-125.8112173.9-175.80000107.8A542 Y543 I599 V603 F604 V635A542-V638 CarbonylContact O-C 3.51Å; A542-V638 WeakPolarHBondContact O-CA 3.41Å; Y543-V638 HydrophobicContact CD1-CB 4.33Å; Y543-V638 HydrophobicContact CD1-CG1 3.75Å; Y543-V638 HydrophobicContact CD1-CG2 3.92Å; Y543-V638 HydrophobicContact CE1-CG1 3.77Å; Y543-V638 HydrophobicContact CE1-CG2 4.49Å; I599-V638 HydrophobicContact CG2-CG1 3.77Å; V603-V638 HydrophobicContact CB-CG2 4.16Å; V603-V638 HydrophobicContact CG1-CG2 3.92Å; V603-V638 HydrophobicContact CG2-CG2 4.19Å; F604-V638 HydrophobicContact CE1-CG2 4.26Å; F604-V638 HydrophobicContact CZ-CG2 3.86Å; V635-V638 HydrophobicContact CG1-CG2 4.08Å
639D89Confident86.1Confident74 Ų7452.7 Ų52.740%0.39628%0.276SS..EExtended strand (participates in β ladder)trans-103.2131.5-178.1-58.1-28.7000109.5L541 A542 N544 Q641L541-D639 WeakPolarHBondContact CA-O 3.34Å; A542-D639 HydrophobicContact CB-CB 4.36Å; A542-D639 PolarHBondContact N-O 3.03Å; A542-D639 PolarHBondContact O-N 2.98Å; N544-D639 PolarHBondContact ND2-OD2 2.88Å; D639-Q641 PolarHBondContact O-N 3Å
640V87.1Confident85.4Confident40 Ų4051.2 Ų51.224%0.24227%0.266CS..EExtended strand (participates in β ladder)trans-90.8103.8176.9-172.20000107.7L541 I599 V643L541-V640 HydrophobicContact CD2-CB 4.32Å; L541-V640 HydrophobicContact CD2-CG1 4.24Å; L541-V640 HydrophobicContact CD2-CG2 3.97Å; I599-V640 HydrophobicContact CD1-CG1 4.38Å; I599-V640 HydrophobicContact CD1-CG2 3.51Å; V640-V643 HydrophobicContact CG1-CG2 3.48Å; V640-V643 VanDerWaalsContact CG1-CG2 3.48Å
641Q87.6Confident84.5Confident96 Ų9649.4 Ų49.445%0.44925%0.254SS..EExtended strand (participates in β ladder)trans-77.3-41.6-179.1-65.7-166.4-20.300111.8Q540 A542 D639Q540-Q641 HydrophobicContact CB-CB 4.06Å; Q540-Q641 PolarHBondContact O-N 3.03Å; A542-Q641 HydrophobicContact CB-CG 4.08Å; D639-Q641 PolarHBondContact O-N 3Å
642S86.4Confident83.9Confident27 Ų2752 Ų5219%0.18927%0.268CS..EExtended strand (participates in β ladder)trans-155.2150.6175.662.50000111.9L539 Q540L539-S642 WeakPolarHBondContact CA-O 3.44Å; Q540-S642 VanDerWaalsContact CB-OG 3.26Å; Q540-S642 WeakPolarHBondContact CB-OG 3.49Å; Q540-S642 WeakPolarHBondContact CG-OG 3.48Å; Q540-S642 PolarHBondContact N-O 3.15Å; Q540-S642 PolarHBondContact O-N 3.22Å; Q540-S642 PolarHBondContact OE1-OG 2.64Å; Q540-S642 VanDerWaalsContact OE1-OG 3.13Å
643V86.6Confident83.2Confident33 Ų3353.8 Ų53.820%0.228%0.281CS..EExtended strand (participates in β ladder)trans-12798.2173.6-175.50000106.7L537 L539 F591 V640L537-V643 HydrophobicContact CB-CG1 4.42Å; L537-V643 HydrophobicContact CD1-CG1 4Å; L539-V643 HydrophobicContact CD2-CB 4.01Å; L539-V643 HydrophobicContact CD2-CG1 3.73Å; L539-V643 HydrophobicContact CD2-CG2 3.56Å; F591-V643 HydrophobicContact CE1-CG1 4.03Å; V640-V643 HydrophobicContact CG1-CG2 3.48Å; V640-V643 VanDerWaalsContact CG1-CG2 3.48Å
644E85.4Confident82.1Confident69 Ų6956.2 Ų56.232%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-107.7130.7-179.8-69.1-169.5-17300110.7L537 Q538 R651L537-E644 CarbonylContact C-O 3.54Å; L537-E644 WeakPolarHBondContact CA-O 3.48Å; Q538-E644 PolarHBondContact N-O 2.87Å; Q538-E644 PolarHBondContact O-N 2.8Å; E644-R651 IonicContact OE2-CZ 2.76Å; E644-R651 IonicContact OE2-NH1 3.1Å; E644-R651 PolarHBondContact OE2-NH1 3.16Å; E644-R651 IonicContact OE2-NH2 3.6Å; E644-R651 PolarHBondContact OE2-NH2 3.34Å
645P85.4Confident81.2Confident13 Ų1362.2 Ų62.28%0.08432%0.322CS..EExtended strand (participates in β ladder)trans-66.7139.1166.526.7-30.1000110.5L537 D647 T650 R651L537-P645 HydrophobicContact CD2-CB 4.06Å; P645-D647 VanDerWaalsContact C-N 3.26Å; P645-T650 VanDerWaalsContact CB-OG1 3.26Å; P645-T650 WeakPolarHBondContact CB-OG1 3.23Å; P645-R651 HydrophobicContact CG-CB 3.96Å; P645-R651 PolarHBondContact O-NH2 2.98Å
646V82.7Confident80.1Confident49 Ų4970.2 Ų70.230%0.29735%0.352SS..SBendtrans-68.2-32.6175.2178.30000110.5T528 R536 Q538T528-V646 HydrophobicContact CG2-CG2 4.27Å; R536-V646 HydrophobicContact CB-CB 4.14Å; R536-V646 HydrophobicContact CB-CG2 4.06Å; R536-V646 PolarHBondContact O-N 2.94Å; Q538-V646 HydrophobicContact CG-CG2 3.79Å
647D80.9Confident79.1Confident90 Ų9071.9 Ų71.948%0.48136%0.364SS..SBendtrans-79119.8178.517857.2000111.8P645 R649 T650 R651P645-D647 VanDerWaalsContact C-N 3.26Å; D647-R649 VanDerWaalsContact C-N 3.27Å; D647-R649 PolarHBondContact O-N 2.84Å; D647-R649 WeakPolarHBondContact OD2-CB 3.28Å; D647-R649 PolarHBondContact OD2-N 3.15Å; D647-T650 PolarHBondContact O-N 3.16Å; D647-T650 PolarHBondContact O-OG1 2.89Å; D647-T650 PolarHBondContact OD2-N 2.9Å; D647-T650 PolarHBondContact OD2-OG1 2.87Å; D647-R651 PolarHBondContact O-N 2.76Å
648Q78.6Confident78Confident102 Ų10274.3 Ų74.348%0.47738%0.378SS..Hα-helixtrans-60.1-35.5-176-17265.438.900112.4R651 D652Q648-R651 VanDerWaalsContact O-CB 3.32Å; Q648-R651 WeakPolarHBondContact O-CB 3.46Å; Q648-R651 PolarHBondContact O-N 2.88Å; Q648-D652 PolarHBondContact NE2-OD1 2.9Å; Q648-D652 VanDerWaalsContact O-CG 3.29Å; Q648-D652 PolarHBondContact O-N 2.79Å; Q648-D652 VanDerWaalsContact O-N 3.07Å
649R75.9Confident77.1Confident207 Ų20779.6 Ų79.678%0.78140%0.402SS*.Hα-helixtrans-67.4-41.6-178.3-174.3-178.4178.9-179.3-0.1111.9D647 R651 A653D647-R649 VanDerWaalsContact C-N 3.27Å; D647-R649 PolarHBondContact O-N 2.84Å; D647-R649 WeakPolarHBondContact OD2-CB 3.28Å; D647-R649 PolarHBondContact OD2-N 3.15Å; R649-R651 VanDerWaalsContact C-N 3.33Å; R649-A653 PolarHBondContact O-N 2.92Å
650T69.3Low76.1Confident67 Ų6781.2 Ų81.241%0.41141%0.41SS..Hα-helixtrans-65-35.1172.749.50000113P645 D647 L654P645-T650 VanDerWaalsContact CB-OG1 3.26Å; P645-T650 WeakPolarHBondContact CB-OG1 3.23Å; D647-T650 PolarHBondContact O-N 3.16Å; D647-T650 PolarHBondContact O-OG1 2.89Å; D647-T650 PolarHBondContact OD2-N 2.9Å; D647-T650 PolarHBondContact OD2-OG1 2.87Å; T650-L654 WeakPolarHBondContact O-CB 3.38Å; T650-L654 PolarHBondContact O-N 2.92Å
651R67Low75Confident68 Ų6881.7 Ų81.726%0.25742%0.418SS..Hα-helixtrans-60.5-51.5175.6-168.2-174.7-60.5-147.6-11.2112.2E644 P645 D647 Q648 R649 A653 L654 Q655E644-R651 IonicContact OE2-CZ 2.76Å; E644-R651 IonicContact OE2-NH1 3.1Å; E644-R651 PolarHBondContact OE2-NH1 3.16Å; E644-R651 IonicContact OE2-NH2 3.6Å; E644-R651 PolarHBondContact OE2-NH2 3.34Å; P645-R651 HydrophobicContact CG-CB 3.96Å; P645-R651 PolarHBondContact O-NH2 2.98Å; D647-R651 PolarHBondContact O-N 2.76Å; Q648-R651 VanDerWaalsContact O-CB 3.32Å; Q648-R651 WeakPolarHBondContact O-CB 3.46Å; Q648-R651 PolarHBondContact O-N 2.88Å; R649-R651 VanDerWaalsContact C-N 3.33Å; R651-A653 VanDerWaalsContact C-N 3.28Å; R651-A653 PolarHBondContact O-N 3.45Å; R651-L654 PolarHBondContact O-N 3.31Å; R651-Q655 WeakPolarHBondContact O-CB 3.44Å; R651-Q655 PolarHBondContact O-N 3.46Å
652D75.2Confident73.7Confident63 Ų6381.4 Ų81.434%0.33742%0.419SS..Hα-helixtrans-66.7-29.5-175.9-61.8-14.7000112.7Q648 R656Q648-D652 PolarHBondContact NE2-OD1 2.9Å; Q648-D652 VanDerWaalsContact O-CG 3.29Å; Q648-D652 PolarHBondContact O-N 2.79Å; Q648-D652 VanDerWaalsContact O-N 3.07Å; D652-R656 PolarHBondContact O-NE 3.21Å
653A71.5Confident72.8Confident57 Ų5785.4 Ų85.447%0.47144%0.435SS..Hα-helixtrans-72.1-42.4175.700000111.5R649 R651 S657R649-A653 PolarHBondContact O-N 2.92Å; R651-A653 VanDerWaalsContact C-N 3.28Å; R651-A653 PolarHBondContact O-N 3.45Å; A653-S657 PolarHBondContact O-N 2.98Å
654L69.3Low71.8Confident51 Ų5189.8 Ų89.827%0.26746%0.455SS..Hα-helixtrans-71.3-40.5-178.3-154.2145.6000111.4F588 T650 R651 R656 S657 V658F588-L654 HydrophobicContact CE1-CD1 4.24Å; F588-L654 HydrophobicContact CZ-CD1 3.79Å; T650-L654 WeakPolarHBondContact O-CB 3.38Å; T650-L654 PolarHBondContact O-N 2.92Å; R651-L654 PolarHBondContact O-N 3.31Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 2.88Å; L654-S657 PolarHBondContact O-N 3.39Å; L654-S657 VanDerWaalsContact O-N 3.13Å; L654-V658 HydrophobicContact CD2-CG2 4Å; L654-V658 WeakPolarHBondContact O-CG2 3.47Å; L654-V658 PolarHBondContact O-N 2.8Å
655Q72.2Confident71.2Confident127 Ų12789.8 Ų89.859%0.59346%0.46SS*.Hα-helixtrans-61.5-38.6178.7-162.5171.43.100112.6R651 V658 Q659R651-Q655 WeakPolarHBondContact O-CB 3.44Å; R651-Q655 PolarHBondContact O-N 3.46Å; Q655-V658 PolarHBondContact O-N 2.87Å; Q655-Q659 PolarHBondContact O-N 3.33Å
656R68.2Low70.8Confident167 Ų16791.9 Ų91.963%0.6347%0.473SS*.Hα-helixtrans-63.7-38.8174.2-79.9-176.7-88.8178.4-11.7112.8D652 L654 L660D652-R656 PolarHBondContact O-NE 3.21Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 2.88Å; R656-L660 PolarHBondContact O-N 3.13Å
657S65.8Low70.3Confident81 Ų8194.9 Ų94.957%0.56649%0.487SS*.Hα-helixtrans-70-35.8178.3-162.30000112.3A653 L654 A661A653-S657 PolarHBondContact O-N 2.98Å; L654-S657 PolarHBondContact O-N 3.39Å; L654-S657 VanDerWaalsContact O-N 3.13Å; S657-A661 PolarHBondContact O-N 3.3Å
658V64.8Low69.8Low68 Ų6894 Ų9441%0.41249%0.488SS..Hα-helixtrans-71.4-40177173.40000111.4L654 Q655 L660 A661 I662L654-V658 HydrophobicContact CD2-CG2 4Å; L654-V658 WeakPolarHBondContact O-CG2 3.47Å; L654-V658 PolarHBondContact O-N 2.8Å; Q655-V658 PolarHBondContact O-N 2.87Å; V658-L660 VanDerWaalsContact C-N 3.33Å; V658-L660 PolarHBondContact O-N 2.81Å; V658-A661 PolarHBondContact O-N 3.49Å; V658-A661 VanDerWaalsContact O-N 3.14Å; V658-I662 HydrophobicContact CG1-CD1 3.71Å; V658-I662 HydrophobicContact CG1-CG1 4.19Å; V658-I662 WeakPolarHBondContact O-CG1 3.26Å; V658-I662 PolarHBondContact O-N 2.83Å
659Q69.7Low69.6Low122 Ų12295.8 Ų95.857%0.5750%0.497SS*.Hα-helixtrans-58.3-44.2177.5-174.4168.2-0.500112.3Q655 A661 I662 E663Q655-Q659 PolarHBondContact O-N 3.33Å; Q659-A661 VanDerWaalsContact C-N 3.35Å; Q659-A661 PolarHBondContact O-N 3.38Å; Q659-I662 PolarHBondContact O-N 2.87Å; Q659-E663 PolarHBondContact O-N 3.31Å; Q659-E663 VanDerWaalsContact O-N 3.09Å
660L68.7Low69.4Low108 Ų10891.9 Ų91.957%0.56549%0.487SS*.Hα-helixtrans-62.8-39.4175.3-78.6162.2000112.4R656 V658 I664R656-L660 PolarHBondContact O-N 3.13Å; V658-L660 VanDerWaalsContact C-N 3.33Å; V658-L660 PolarHBondContact O-N 2.81Å; L660-I664 WeakPolarHBondContact O-CD1 3.48Å; L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.31Å; L660-I664 PolarHBondContact O-N 2.82Å
661A64Low69.6Low51 Ų5191.3 Ų91.342%0.42149%0.49SS..Hα-helixtrans-67.3-40177.200000112S657 V658 Q659 I664 T665S657-A661 PolarHBondContact O-N 3.3Å; V658-A661 PolarHBondContact O-N 3.49Å; V658-A661 VanDerWaalsContact O-N 3.14Å; Q659-A661 VanDerWaalsContact C-N 3.35Å; Q659-A661 PolarHBondContact O-N 3.38Å; A661-I664 PolarHBondContact O-N 3.18Å; A661-T665 WeakPolarHBondContact O-CG2 3.32Å; A661-T665 PolarHBondContact O-N 3.38Å; A661-T665 PolarHBondContact O-OG1 2.87Å
662I60.4Low69.8Low90 Ų9091 Ų9146%0.46250%0.501SS..Hα-helixtrans-63.4-46.6177.9-68.7170.7000110.7V658 Q659 I664 T665 T666V658-I662 HydrophobicContact CG1-CD1 3.71Å; V658-I662 HydrophobicContact CG1-CG1 4.19Å; V658-I662 WeakPolarHBondContact O-CG1 3.26Å; V658-I662 PolarHBondContact O-N 2.83Å; Q659-I662 PolarHBondContact O-N 2.87Å; I662-I664 VanDerWaalsContact C-N 3.26Å; I662-I664 PolarHBondContact O-N 2.95Å; I662-T665 WeakPolarHBondContact CA-OG1 3.4Å; I662-T665 PolarHBondContact O-N 2.9Å; I662-T665 VanDerWaalsContact O-N 3.14Å; I662-T665 PolarHBondContact O-OG1 2.71Å; I662-T666 WeakPolarHBondContact O-CB 3.42Å; I662-T666 PolarHBondContact O-N 2.89Å; I662-T666 PolarHBondContact O-OG1 2.89Å
663E67.2Low69.7Low111 Ų11190.6 Ų90.652%0.51951%0.507SS..Hα-helixtrans-55.8-41.7176.7-83.1-178.3167.600112.4Q659 N667Q659-E663 PolarHBondContact O-N 3.31Å; Q659-E663 VanDerWaalsContact O-N 3.09Å; E663-N667 WeakPolarHBondContact O-CB 3.38Å; E663-N667 PolarHBondContact O-N 2.99Å; E663-N667 PolarHBondContact O-ND2 2.95Å
664I65.2Low69.8Low124 Ų12494.8 Ų94.864%0.63651%0.514SS*.Hα-helixtrans-66-45.3178.3-64.6166.7000110.3L660 A661 I662 S668L660-I664 WeakPolarHBondContact O-CD1 3.48Å; L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.31Å; L660-I664 PolarHBondContact O-N 2.82Å; A661-I664 PolarHBondContact O-N 3.18Å; I662-I664 VanDerWaalsContact C-N 3.26Å; I662-I664 PolarHBondContact O-N 2.95Å; I664-S668 PolarHBondContact O-N 3.08Å
665T74Confident69.9Low70 Ų7099.3 Ų99.343%0.42953%0.534SS..Hα-helixtrans-72-41.5-178.754.30000113A661 I662 S668 Q669A661-T665 WeakPolarHBondContact O-CG2 3.32Å; A661-T665 PolarHBondContact O-N 3.38Å; A661-T665 PolarHBondContact O-OG1 2.87Å; I662-T665 WeakPolarHBondContact CA-OG1 3.4Å; I662-T665 PolarHBondContact O-N 2.9Å; I662-T665 VanDerWaalsContact O-N 3.14Å; I662-T665 PolarHBondContact O-OG1 2.71Å; T665-S668 PolarHBondContact O-N 2.93Å; T665-S668 VanDerWaalsContact O-N 3.13Å; T665-S668 PolarHBondContact O-OG 2.87Å; T665-Q669 WeakPolarHBondContact O-CB 3.31Å; T665-Q669 WeakPolarHBondContact O-CG 3.48Å; T665-Q669 PolarHBondContact O-N 2.91Å
666T75.7Confident70Confident57 Ų5798.1 Ų98.135%0.3553%0.528SS..Hα-helixtrans-64-44.7-179.3-61.20000110.5I662 S668 Q669 E670I662-T666 WeakPolarHBondContact O-CB 3.42Å; I662-T666 PolarHBondContact O-N 2.89Å; I662-T666 PolarHBondContact O-OG1 2.89Å; T666-S668 VanDerWaalsContact C-N 3.26Å; T666-S668 PolarHBondContact O-N 2.72Å; T666-Q669 PolarHBondContact O-N 2.85Å; T666-E670 HydrophobicContact CG2-CG 4.07Å; T666-E670 WeakPolarHBondContact O-CB 3.33Å; T666-E670 WeakPolarHBondContact O-CG 3.43Å; T666-E670 PolarHBondContact O-N 2.87Å
667N72.6Confident70.4Confident112 Ų11292.7 Ų92.760%0.59952%0.519SS*.Hα-helixtrans-59.4-38.2174.6-77.7-25.6000112.1E663 A671E663-N667 WeakPolarHBondContact O-CB 3.38Å; E663-N667 PolarHBondContact O-N 2.99Å; E663-N667 PolarHBondContact O-ND2 2.95Å; N667-A671 PolarHBondContact O-N 3.29Å
668S71.1Confident70.9Confident72 Ų7294.7 Ų94.750%0.50352%0.519SS..Hα-helixtrans-71.5-37.217877.90000113.1I664 T665 T666 A672I664-S668 PolarHBondContact O-N 3.08Å; T665-S668 PolarHBondContact O-N 2.93Å; T665-S668 VanDerWaalsContact O-N 3.13Å; T665-S668 PolarHBondContact O-OG 2.87Å; T666-S668 VanDerWaalsContact C-N 3.26Å; T666-S668 PolarHBondContact O-N 2.72Å; S668-A672 PolarHBondContact O-N 3.46Å
669Q73.4Confident71.4Confident139 Ų13998.1 Ų98.165%0.6553%0.525SS*.Hα-helixtrans-82.4-36-177.9-73.2-162.7-5.500112.7T665 T666 A671 A672 A673T665-Q669 WeakPolarHBondContact O-CB 3.31Å; T665-Q669 WeakPolarHBondContact O-CG 3.48Å; T665-Q669 PolarHBondContact O-N 2.91Å; T666-Q669 PolarHBondContact O-N 2.85Å; Q669-A671 VanDerWaalsContact C-N 3.27Å; Q669-A671 PolarHBondContact O-N 3.45Å; Q669-A672 PolarHBondContact O-N 2.81Å; Q669-A673 WeakPolarHBondContact O-CB 3.29Å; Q669-A673 PolarHBondContact O-N 3.45Å
670E72.5Confident71.8Confident124 Ų12496.6 Ų96.658%0.57952%0.52SS*.Hα-helixtrans-60.2-40.4173-80.2-172.7169.900111.1T666 K674T666-E670 HydrophobicContact CG2-CG 4.07Å; T666-E670 WeakPolarHBondContact O-CB 3.33Å; T666-E670 WeakPolarHBondContact O-CG 3.43Å; T666-E670 PolarHBondContact O-N 2.87Å; E670-K674 WeakPolarHBondContact O-CB 3.32Å; E670-K674 PolarHBondContact O-N 2.84Å
671A72.5Confident72.1Confident56 Ų5698.1 Ų98.146%0.46352%0.524SS..Hα-helixtrans-60.7-49.8174.800000111.3N667 Q669 H675N667-A671 PolarHBondContact O-N 3.29Å; Q669-A671 VanDerWaalsContact C-N 3.27Å; Q669-A671 PolarHBondContact O-N 3.45Å; A671-H675 PolarHBondContact O-CD2 3.37Å; A671-H675 VanDerWaalsContact O-CD2 3.23Å; A671-H675 PolarHBondContact O-N 3.03Å
672A71.6Confident72.8Confident61 Ų61102.4 Ų102.450%0.50454%0.536SS..Hα-helixtrans-66.2-44.5179.400000112.8S668 Q669 K674 H675 E676S668-A672 PolarHBondContact O-N 3.46Å; Q669-A672 PolarHBondContact O-N 2.81Å; A672-K674 VanDerWaalsContact C-N 3.35Å; A672-K674 PolarHBondContact O-N 2.85Å; A672-H675 PolarHBondContact O-N 3.44Å; A672-E676 PolarHBondContact O-N 2.96Å
673A72.3Confident73.8Confident54 Ų54103.2 Ų103.245%0.44654%0.538SS..Hα-helixtrans-65-36.4-179.600000112Q669 H675 E676 A677Q669-A673 WeakPolarHBondContact O-CB 3.29Å; Q669-A673 PolarHBondContact O-N 3.45Å; A673-H675 VanDerWaalsContact C-N 3.34Å; A673-H675 PolarHBondContact O-N 2.98Å; A673-E676 PolarHBondContact O-N 3.45Å; A673-A677 WeakPolarHBondContact O-CB 3.22Å; A673-A677 PolarHBondContact O-N 2.94Å
674K73.7Confident74.2Confident146 Ų146100.3 Ų100.364%0.63553%0.532SS*.Hα-helixtrans-64.1-39.1176.6-166.8175.7-174177.40112.1E670 A672 Q678E670-K674 WeakPolarHBondContact O-CB 3.32Å; E670-K674 PolarHBondContact O-N 2.84Å; A672-K674 VanDerWaalsContact C-N 3.35Å; A672-K674 PolarHBondContact O-N 2.85Å; K674-Q678 WeakPolarHBondContact O-CG 3.24Å; K674-Q678 PolarHBondContact O-N 3.02Å
675H72.4Confident74.8Confident145 Ų145102.4 Ų102.467%0.67153%0.532SS*.Hα-helixtrans-70.6-40.7176-81.5-76.8000112.4A671 A672 A673 R679A671-H675 PolarHBondContact O-CD2 3.37Å; A671-H675 VanDerWaalsContact O-CD2 3.23Å; A671-H675 PolarHBondContact O-N 3.03Å; A672-H675 PolarHBondContact O-N 3.44Å; A673-H675 VanDerWaalsContact C-N 3.34Å; A673-H675 PolarHBondContact O-N 2.98Å; H675-R679 PolarHBondContact O-N 3.44Å
676E74.2Confident75.1Confident102 Ų102100.9 Ų100.948%0.47753%0.53SS..Hα-helixtrans-73-36.9179.2-173.3158.8-142.900112.7A672 A673 Q678 R679 L680A672-E676 PolarHBondContact O-N 2.96Å; A673-E676 PolarHBondContact O-N 3.45Å; E676-Q678 PolarHBondContact O-N 2.76Å; E676-R679 PolarHBondContact O-N 3.22Å; E676-R679 IonicContact OE1-NH2 3.62Å; E676-R679 PolarHBondContact OE1-NH2 2.83Å; E676-R679 VanDerWaalsContact OE1-NH2 3.1Å; E676-L680 HydrophobicContact CG-CD1 4.02Å; E676-L680 PolarHBondContact O-N 2.83Å
677A76Confident75.4Confident53 Ų53107.5 Ų107.544%0.43855%0.549SS..Hα-helixtrans-60.5-43.4175.200000111.9A673 R679 L680 E681A673-A677 WeakPolarHBondContact O-CB 3.22Å; A673-A677 PolarHBondContact O-N 2.94Å; A677-R679 VanDerWaalsContact C-N 3.3Å; A677-R679 PolarHBondContact O-N 3.24Å; A677-L680 PolarHBondContact O-N 3.45Å; A677-E681 VanDerWaalsContact O-CB 3.25Å; A677-E681 WeakPolarHBondContact O-CB 3.37Å; A677-E681 PolarHBondContact O-N 2.91Å
678Q77Confident75.7Confident123 Ų123107.7 Ų107.758%0.57555%0.549SS*.Hα-helixtrans-62-36.5176.6-76.3-178.4-12.500112.7K674 E676 Q682K674-Q678 WeakPolarHBondContact O-CG 3.24Å; K674-Q678 PolarHBondContact O-N 3.02Å; E676-Q678 PolarHBondContact O-N 2.76Å; Q678-Q682 PolarHBondContact O-N 2.79Å
679R76.2Confident76.1Confident140 Ų140109.9 Ų109.953%0.52855%0.551SS.*Hα-helixtrans-70.1-46.7176.6-170.8-172.868.8-160.8-7.7111.4H675 E676 A677 Q682 E683H675-R679 PolarHBondContact O-N 3.44Å; E676-R679 PolarHBondContact O-N 3.22Å; E676-R679 IonicContact OE1-NH2 3.62Å; E676-R679 PolarHBondContact OE1-NH2 2.83Å; E676-R679 VanDerWaalsContact OE1-NH2 3.1Å; A677-R679 VanDerWaalsContact C-N 3.3Å; A677-R679 PolarHBondContact O-N 3.24Å; R679-Q682 PolarHBondContact O-N 3.14Å; R679-E683 PolarHBondContact O-N 3.23Å
680L76.3Confident76.3Confident91 Ų91112.1 Ų112.148%0.47655%0.554SS.*Hα-helixtrans-65.7-37.1179.1-84.2166.1000112.5E676 A677 Q682 E683 A684E676-L680 HydrophobicContact CG-CD1 4.02Å; E676-L680 PolarHBondContact O-N 2.83Å; A677-L680 PolarHBondContact O-N 3.45Å; L680-Q682 VanDerWaalsContact C-N 3.33Å; L680-Q682 PolarHBondContact O-N 2.8Å; L680-E683 PolarHBondContact O-N 3.38Å; L680-A684 WeakPolarHBondContact O-CB 3.46Å; L680-A684 PolarHBondContact O-N 2.88Å
681E75.1Confident76.7Confident139 Ų139111.6 Ų111.665%0.6555%0.551SS**Hα-helixtrans-62-41.7177.7-172.8174.3-168.200111.4A677 R685A677-E681 VanDerWaalsContact O-CB 3.25Å; A677-E681 WeakPolarHBondContact O-CB 3.37Å; A677-E681 PolarHBondContact O-N 2.91Å; E681-R685 WeakPolarHBondContact O-CB 3.5Å; E681-R685 PolarHBondContact O-N 2.94Å
682Q79.4Confident77.1Confident142 Ų142115 Ų11566%0.66456%0.556SS**Hα-helixtrans-65.3-41.4177.8-156.475.2-6.400112Q678 R679 L680 G686Q678-Q682 PolarHBondContact O-N 2.79Å; R679-Q682 PolarHBondContact O-N 3.14Å; L680-Q682 VanDerWaalsContact C-N 3.33Å; L680-Q682 PolarHBondContact O-N 2.8Å; Q682-G686 PolarHBondContact O-N 2.92Å
683E80.6Confident77.5Confident107 Ų107117.5 Ų117.550%0.556%0.56SS.*Hα-helixtrans-72.1-40.9177.6-71.4179.1179.500112.6R679 L680 G686 R687R679-E683 PolarHBondContact O-N 3.23Å; L680-E683 PolarHBondContact O-N 3.38Å; E683-G686 PolarHBondContact O-N 2.77Å; E683-R687 PolarHBondContact O-N 2.8Å; E683-R687 VanDerWaalsContact O-N 3.11Å
684A77.1Confident78Confident49 Ų49119.7 Ų119.741%0.40556%0.563SS.*Hα-helixtrans-63.2-41.9177.600000111L680 G686 R687 L688L680-A684 WeakPolarHBondContact O-CB 3.46Å; L680-A684 PolarHBondContact O-N 2.88Å; A684-G686 VanDerWaalsContact C-N 3.33Å; A684-G686 PolarHBondContact O-N 3Å; A684-R687 PolarHBondContact O-N 2.89Å; A684-L688 WeakPolarHBondContact O-CB 3.44Å; A684-L688 PolarHBondContact O-N 3.14Å
685R77.9Confident78.4Confident169 Ų169116.7 Ų116.764%0.63855%0.554SS**Hα-helixtrans-59.3-41.9176.2-169.3173.5179.2168.91.2112.2E681 L688 E689E681-R685 WeakPolarHBondContact O-CB 3.5Å; E681-R685 PolarHBondContact O-N 2.94Å; R685-L688 PolarHBondContact O-N 2.81Å; R685-E689 PolarHBondContact O-N 3.01Å; R685-E689 VanDerWaalsContact O-N 3.15Å
686G80.5Confident78.8Confident37 Ų37115.1 Ų115.138%0.38155%0.547SS..Hα-helixtrans-68.3-33.3176.500000114.3Q682 E683 A684Q682-G686 PolarHBondContact O-N 2.92Å; E683-G686 PolarHBondContact O-N 2.77Å; A684-G686 VanDerWaalsContact C-N 3.33Å; A684-G686 PolarHBondContact O-N 3Å
687R80.8Confident79.2Confident197 Ų197112.7 Ų112.774%0.74354%0.542SS*.Hα-helixtrans-71.7-42.5172.3-84.4-176.1177.7156.91.3112.2E683 A684 E689 R690 Q691E683-R687 PolarHBondContact O-N 2.8Å; E683-R687 VanDerWaalsContact O-N 3.11Å; A684-R687 PolarHBondContact O-N 2.89Å; R687-E689 PolarHBondContact O-N 3.39Å; R687-R690 PolarHBondContact O-N 3.07Å; R687-Q691 WeakPolarHBondContact O-CB 3.27Å; R687-Q691 PolarHBondContact O-N 2.86Å
688L78.4Confident79.7Confident115 Ų115116.1 Ų116.160%0.60255%0.548SS*.Hα-helixtrans-60.5-43.5-180-112.8157.8000112.1A684 R685 R690 Q691 K692A684-L688 WeakPolarHBondContact O-CB 3.44Å; A684-L688 PolarHBondContact O-N 3.14Å; R685-L688 PolarHBondContact O-N 2.81Å; L688-R690 VanDerWaalsContact C-N 3.32Å; L688-R690 PolarHBondContact O-N 2.89Å; L688-Q691 PolarHBondContact O-N 2.87Å; L688-K692 VanDerWaalsContact O-CB 3.26Å; L688-K692 WeakPolarHBondContact O-CB 3.25Å; L688-K692 PolarHBondContact O-N 3.43Å
689E80.6Confident80.1Confident119 Ų119113 Ų11356%0.55654%0.544SS*.Hα-helixtrans-62.3-40.3176.2-76.4-175.4176.800112R685 R687 K692 I693R685-E689 PolarHBondContact O-N 3.01Å; R685-E689 VanDerWaalsContact O-N 3.15Å; R687-E689 PolarHBondContact O-N 3.39Å; E689-K692 PolarHBondContact O-N 3.27Å; E689-I693 WeakPolarHBondContact O-CG1 3.38Å; E689-I693 PolarHBondContact O-N 3.13Å
690R78.1Confident80.4Confident186 Ų186111.9 Ų111.970%0.70255%0.545SS*.Hα-helixtrans-68.9-40.9179.2-154.6-176.9-62.9179.5-0.4112R687 L688 I693 L694R687-R690 PolarHBondContact O-N 3.07Å; L688-R690 VanDerWaalsContact C-N 3.32Å; L688-R690 PolarHBondContact O-N 2.89Å; R690-I693 PolarHBondContact O-N 2.7Å; R690-L694 PolarHBondContact O-N 3.19Å
691Q79.8Confident81Confident112 Ų112114.3 Ų114.352%0.52355%0.551SS.*Hα-helixtrans-67-42.6176.4-173.3172.3-200111.2R687 L688 I693 L694 D695R687-Q691 WeakPolarHBondContact O-CB 3.27Å; R687-Q691 PolarHBondContact O-N 2.86Å; L688-Q691 PolarHBondContact O-N 2.87Å; Q691-I693 VanDerWaalsContact C-N 3.26Å; Q691-I693 PolarHBondContact O-N 3.27Å; Q691-L694 PolarHBondContact O-N 2.89Å; Q691-D695 VanDerWaalsContact O-CG 3.23Å; Q691-D695 PolarHBondContact O-N 3.43Å
692K81.7Confident81.4Confident128 Ų128110.3 Ų110.356%0.55754%0.542SS*.Hα-helixtrans-58.8-36.9177.3-167176.3-175.7-179.80112.7L688 E689 Q696L688-K692 VanDerWaalsContact O-CB 3.26Å; L688-K692 WeakPolarHBondContact O-CB 3.25Å; L688-K692 PolarHBondContact O-N 3.43Å; E689-K692 PolarHBondContact O-N 3.27Å; K692-Q696 VanDerWaalsContact O-CB 3.27Å; K692-Q696 WeakPolarHBondContact O-CB 3.31Å; K692-Q696 WeakPolarHBondContact O-CG 3.25Å; K692-Q696 PolarHBondContact O-N 3.46Å
693I79.7Confident81.7Confident114 Ų114111.3 Ų111.359%0.58554%0.54SS*.Hα-helixtrans-67.2-41.8175.2-67.4165.8000111.2E689 R690 Q691 S697E689-I693 WeakPolarHBondContact O-CG1 3.38Å; E689-I693 PolarHBondContact O-N 3.13Å; R690-I693 PolarHBondContact O-N 2.7Å; Q691-I693 VanDerWaalsContact C-N 3.26Å; Q691-I693 PolarHBondContact O-N 3.27Å; I693-S697 PolarHBondContact O-N 2.76Å; I693-S697 VanDerWaalsContact O-N 3.09Å
694L82.1Confident82.1Confident99 Ų99112.7 Ų112.752%0.51854%0.544SS..Hα-helixtrans-66.8-48.9178.2-70.1171.3000111.3R690 Q691 Q696 S697 E698R690-L694 PolarHBondContact O-N 3.19Å; Q691-L694 PolarHBondContact O-N 2.89Å; L694-Q696 VanDerWaalsContact C-N 3.3Å; L694-Q696 PolarHBondContact O-N 2.89Å; L694-S697 WeakPolarHBondContact O-CB 3.39Å; L694-S697 PolarHBondContact O-N 3.37Å; L694-S697 PolarHBondContact O-OG 3.15Å; L694-E698 PolarHBondContact O-N 3.05Å
695D82.2Confident82.6Confident83 Ų83116.2 Ų116.244%0.44455%0.552SS.*Hα-helixtrans-59.9-41178.4-62.6-11.3000111Q691 S697 E698 A699Q691-D695 VanDerWaalsContact O-CG 3.23Å; Q691-D695 PolarHBondContact O-N 3.43Å; D695-S697 VanDerWaalsContact C-N 3.33Å; D695-S697 PolarHBondContact O-N 3.28Å; D695-E698 PolarHBondContact O-N 3.45Å; D695-A699 WeakPolarHBondContact O-CB 3.29Å; D695-A699 PolarHBondContact O-N 2.82Å
696Q81.7Confident83Confident112 Ų112112.9 Ų112.952%0.52355%0.546SS..Hα-helixtrans-62.5-39.4174-78.9177.6-10.500112.1K692 L694 E700K692-Q696 VanDerWaalsContact O-CB 3.27Å; K692-Q696 WeakPolarHBondContact O-CB 3.31Å; K692-Q696 WeakPolarHBondContact O-CG 3.25Å; K692-Q696 PolarHBondContact O-N 3.46Å; L694-Q696 VanDerWaalsContact C-N 3.3Å; L694-Q696 PolarHBondContact O-N 2.89Å; Q696-E700 WeakPolarHBondContact O-CB 3.29Å; Q696-E700 WeakPolarHBondContact O-CG 3.39Å; Q696-E700 PolarHBondContact O-N 3.16Å
697S82.4Confident83.4Confident52 Ų52116.4 Ų116.436%0.36456%0.556SS.*Hα-helixtrans-69.3-36.517978.60000113.1I693 L694 D695 K701I693-S697 PolarHBondContact O-N 2.76Å; I693-S697 VanDerWaalsContact O-N 3.09Å; L694-S697 WeakPolarHBondContact O-CB 3.39Å; L694-S697 PolarHBondContact O-N 3.37Å; L694-S697 PolarHBondContact O-OG 3.15Å; D695-S697 VanDerWaalsContact C-N 3.33Å; D695-S697 PolarHBondContact O-N 3.28Å; S697-K701 WeakPolarHBondContact O-CG 3.21Å; S697-K701 PolarHBondContact O-N 3.32Å
698E87.1Confident83.8Confident125 Ų125112.1 Ų112.158%0.58454%0.544SS*.Hα-helixtrans-74.4-41.7177.2-71-175.7171.800111.3L694 D695 E700 K701 A702L694-E698 PolarHBondContact O-N 3.05Å; D695-E698 PolarHBondContact O-N 3.45Å; E698-E700 VanDerWaalsContact C-N 3.33Å; E698-E700 PolarHBondContact O-N 2.82Å; E698-K701 PolarHBondContact O-N 2.92Å; E698-A702 PolarHBondContact O-N 3Å
699A83.8Confident84.4Confident58 Ų58111.9 Ų111.948%0.47954%0.543SS..Hα-helixtrans-59.5-42.5174.700000111.8D695 A702 R703D695-A699 WeakPolarHBondContact O-CB 3.29Å; D695-A699 PolarHBondContact O-N 2.82Å; A699-A702 PolarHBondContact O-N 3.17Å; A699-R703 VanDerWaalsContact O-CB 3.25Å; A699-R703 WeakPolarHBondContact O-CB 3.44Å; A699-R703 PolarHBondContact O-N 2.78Å
700E84.2Confident84.6Confident116 Ų116110.8 Ų110.854%0.54254%0.538SS..Hα-helixtrans-67.4-34.4176.7-75-63.1142.900112.9Q696 E698 R703 K704Q696-E700 WeakPolarHBondContact O-CB 3.29Å; Q696-E700 WeakPolarHBondContact O-CG 3.39Å; Q696-E700 PolarHBondContact O-N 3.16Å; E698-E700 VanDerWaalsContact C-N 3.33Å; E698-E700 PolarHBondContact O-N 2.82Å; E700-R703 IonicContact OE1-NH1 3.49Å; E700-K704 PolarHBondContact O-N 2.91Å; E700-K704 VanDerWaalsContact O-N 3.11Å
701K87.8Confident85.1Confident142 Ų142104.5 Ų104.562%0.61753%0.525SS*.Hα-helixtrans-65.3-49.6172.8-76.2176.7-177.71750112S697 E698 R703 K704 E705S697-K701 WeakPolarHBondContact O-CG 3.21Å; S697-K701 PolarHBondContact O-N 3.32Å; E698-K701 PolarHBondContact O-N 2.92Å; K701-R703 VanDerWaalsContact C-N 3.26Å; K701-R703 PolarHBondContact O-N 2.71Å; K701-K704 WeakPolarHBondContact O-CB 3.48Å; K701-K704 PolarHBondContact O-N 3.31Å; K701-E705 PolarHBondContact O-N 3.22Å; K701-E705 VanDerWaalsContact O-N 3.13Å
702A84.4Confident85.5Confident55 Ų55104.6 Ų104.646%0.45553%0.529SS..Hα-helixtrans-61.8-36.9178.600000111.6E698 A699 E705 L706E698-A702 PolarHBondContact O-N 3Å; A699-A702 PolarHBondContact O-N 3.17Å; A702-E705 PolarHBondContact O-N 3.06Å; A702-L706 WeakPolarHBondContact O-CB 3.39Å; A702-L706 PolarHBondContact O-N 2.8Å
703R86.1Confident85.8Confident162 Ų162101.4 Ų101.461%0.61152%0.523SS*.Hα-helixtrans-65.8-38.4176.9-159.3177.7-165.5177.64112.3A699 E700 K701 L707A699-R703 VanDerWaalsContact O-CB 3.25Å; A699-R703 WeakPolarHBondContact O-CB 3.44Å; A699-R703 PolarHBondContact O-N 2.78Å; E700-R703 IonicContact OE1-NH1 3.49Å; K701-R703 VanDerWaalsContact C-N 3.26Å; K701-R703 PolarHBondContact O-N 2.71Å; R703-L707 WeakPolarHBondContact O-CB 3.46Å; R703-L707 PolarHBondContact O-N 2.81Å; R703-L707 VanDerWaalsContact O-N 3.12Å
704K88.5Confident86.2Confident137 Ų137101.5 Ų101.560%0.59652%0.522SS*.Hα-helixtrans-62.7-46.5173.7-176.6-174.5169.4-1700111.5E700 K701 L707 E708E700-K704 PolarHBondContact O-N 2.91Å; E700-K704 VanDerWaalsContact O-N 3.11Å; K701-K704 WeakPolarHBondContact O-CB 3.48Å; K701-K704 PolarHBondContact O-N 3.31Å; K704-L707 PolarHBondContact O-N 3.39Å; K704-E708 WeakPolarHBondContact CE-OE1 2.99Å; K704-E708 IonicContact NZ-OE1 3.34Å; K704-E708 WeakPolarHBondContact O-CG 3.48Å; K704-E708 PolarHBondContact O-N 2.91Å
705E88Confident86.6Confident123 Ų12399.3 Ų99.358%0.57552%0.518SS*.Hα-helixtrans-64.3-42.1179.8-70.6175.1-178.100112.4K701 A702 L707 E708 L709K701-E705 PolarHBondContact O-N 3.22Å; K701-E705 VanDerWaalsContact O-N 3.13Å; A702-E705 PolarHBondContact O-N 3.06Å; E705-L707 VanDerWaalsContact C-N 3.33Å; E705-L707 PolarHBondContact O-N 3.3Å; E705-E708 PolarHBondContact O-N 3.01Å; E705-L709 PolarHBondContact O-N 2.85Å
706L85.6Confident86.9Confident98 Ų98100 Ų10051%0.51353%0.526SS..Hα-helixtrans-59.2-45.3174.6-173.1108.3000111.2A702 E708 L709 E710A702-L706 WeakPolarHBondContact O-CB 3.39Å; A702-L706 PolarHBondContact O-N 2.8Å; L706-E708 VanDerWaalsContact C-N 3.34Å; L706-E708 PolarHBondContact O-N 3.47Å; L706-L709 PolarHBondContact O-N 2.82Å; L706-E710 WeakPolarHBondContact CD2-OE1 3.43Å; L706-E710 HydrophobicContact CG-CG 4.49Å; L706-E710 WeakPolarHBondContact O-CB 3.46Å; L706-E710 WeakPolarHBondContact O-CG 3.42Å; L706-E710 PolarHBondContact O-N 3.3Å
707L89.1Confident87.1Confident111 Ų111100.9 Ų100.958%0.58153%0.53SS*.Hα-helixtrans-67.6-34.2-177.8-145.1127000112.2R703 K704 E705 A711R703-L707 WeakPolarHBondContact O-CB 3.46Å; R703-L707 PolarHBondContact O-N 2.81Å; R703-L707 VanDerWaalsContact O-N 3.12Å; K704-L707 PolarHBondContact O-N 3.39Å; E705-L707 VanDerWaalsContact C-N 3.33Å; E705-L707 PolarHBondContact O-N 3.3Å; L707-A711 WeakPolarHBondContact O-CB 3.19Å; L707-A711 PolarHBondContact O-N 3.01Å
708E89Confident87.4Confident107 Ų107102.1 Ų102.150%0.554%0.538SS..Hα-helixtrans-66.3-42.9172-74176.9-177.100111.6K704 E705 L706 A711 L712K704-E708 WeakPolarHBondContact CE-OE1 2.99Å; K704-E708 IonicContact NZ-OE1 3.34Å; K704-E708 WeakPolarHBondContact O-CG 3.48Å; K704-E708 PolarHBondContact O-N 2.91Å; E705-E708 PolarHBondContact O-N 3.01Å; L706-E708 VanDerWaalsContact C-N 3.34Å; L706-E708 PolarHBondContact O-N 3.47Å; E708-A711 PolarHBondContact O-N 2.78Å; E708-L712 WeakPolarHBondContact O-CG 3.31Å; E708-L712 PolarHBondContact O-N 3.12Å
709L90.2Very high87.5Confident110 Ų110100.7 Ų100.758%0.57654%0.538SS*.Hα-helixtrans-67.4-40.1176.5-76.9167.5000112.7E705 L706 L712 S713E705-L709 PolarHBondContact O-N 2.85Å; L706-L709 PolarHBondContact O-N 2.82Å; L709-L712 PolarHBondContact O-N 2.94Å; L709-S713 WeakPolarHBondContact O-CB 3.21Å; L709-S713 PolarHBondContact O-N 3.11Å; L709-S713 PolarHBondContact O-OG 2.81Å
710E86.1Confident87.7Confident97 Ų9799.7 Ų99.745%0.45353%0.534SS..Hα-helixtrans-62.6-44.3174.2-77.2178.2171.300110.8L706 L712 S713 M714L706-E710 WeakPolarHBondContact CD2-OE1 3.43Å; L706-E710 HydrophobicContact CG-CG 4.49Å; L706-E710 WeakPolarHBondContact O-CB 3.46Å; L706-E710 WeakPolarHBondContact O-CG 3.42Å; L706-E710 PolarHBondContact O-N 3.3Å; E710-L712 PolarHBondContact O-N 3.17Å; E710-S713 PolarHBondContact O-N 2.73Å; E710-M714 WeakPolarHBondContact O-CB 3.21Å; E710-M714 VanDerWaalsContact O-CG 3.31Å; E710-M714 WeakPolarHBondContact O-CG 3.41Å; E710-M714 PolarHBondContact O-N 2.96Å
711A87.4Confident87.9Confident53 Ų5398 Ų9844%0.43853%0.531SS..Hα-helixtrans-62.1-41.4176.800000112.5L707 E708 A715L707-A711 WeakPolarHBondContact O-CB 3.19Å; L707-A711 PolarHBondContact O-N 3.01Å; E708-A711 PolarHBondContact O-N 2.78Å; A711-A715 WeakPolarHBondContact O-CB 3.36Å; A711-A715 PolarHBondContact O-N 3.09Å
712L88.7Confident88Confident115 Ų11593.9 Ų93.960%0.60252%0.524SS*.Hα-helixtrans-66.4-42.7175-73.5170.9000112E708 L709 E710 A715 V716E708-L712 WeakPolarHBondContact O-CG 3.31Å; E708-L712 PolarHBondContact O-N 3.12Å; L709-L712 PolarHBondContact O-N 2.94Å; E710-L712 PolarHBondContact O-N 3.17Å; L712-A715 PolarHBondContact O-N 2.92Å; L712-V716 WeakPolarHBondContact O-CG2 3.32Å; L712-V716 PolarHBondContact O-N 2.97Å
713S88.5Confident88.3Confident60 Ų6097.5 Ų97.542%0.4253%0.529SS..Hα-helixtrans-66-45.5-180-57.20000111L709 E710 A715 V716 E717L709-S713 WeakPolarHBondContact O-CB 3.21Å; L709-S713 PolarHBondContact O-N 3.11Å; L709-S713 PolarHBondContact O-OG 2.81Å; E710-S713 PolarHBondContact O-N 2.73Å; S713-A715 VanDerWaalsContact C-N 3.29Å; S713-A715 PolarHBondContact O-N 2.86Å; S713-V716 PolarHBondContact O-N 2.85Å; S713-E717 WeakPolarHBondContact O-CB 3.41Å; S713-E717 WeakPolarHBondContact O-CG 3.29Å; S713-E717 PolarHBondContact O-N 3.28Å
714M88.3Confident88.3Confident116 Ų11692.4 Ų92.457%0.57152%0.522SS*.Hα-helixtrans-60.7-37.4174.3-73.7-172.4-65.300112.3E710 S718E710-M714 WeakPolarHBondContact O-CB 3.21Å; E710-M714 VanDerWaalsContact O-CG 3.31Å; E710-M714 WeakPolarHBondContact O-CG 3.41Å; E710-M714 PolarHBondContact O-N 2.96Å; M714-S718 VanDerWaalsContact O-CB 3.22Å; M714-S718 WeakPolarHBondContact O-CB 3.46Å; M714-S718 PolarHBondContact O-N 2.83Å
715A89.1Confident88.2Confident53 Ų5392.3 Ų92.344%0.43852%0.524SS..Hα-helixtrans-65.9-44.8175.100000111.6A711 L712 S713 S718 T719A711-A715 WeakPolarHBondContact O-CB 3.36Å; A711-A715 PolarHBondContact O-N 3.09Å; L712-A715 PolarHBondContact O-N 2.92Å; S713-A715 VanDerWaalsContact C-N 3.29Å; S713-A715 PolarHBondContact O-N 2.86Å; A715-S718 PolarHBondContact O-N 3.42Å; A715-T719 VanDerWaalsContact O-CG2 3.27Å; A715-T719 WeakPolarHBondContact O-CG2 3.21Å; A715-T719 PolarHBondContact O-N 3.36Å; A715-T719 PolarHBondContact O-OG1 2.89Å
716V89.7Confident88.2Confident99 Ų9989.5 Ų89.560%0.652%0.521SS*.Hα-helixtrans-64-46.6176.7172.50000110.8L712 S713 T719 G720L712-V716 WeakPolarHBondContact O-CG2 3.32Å; L712-V716 PolarHBondContact O-N 2.97Å; S713-V716 PolarHBondContact O-N 2.85Å; V716-T719 PolarHBondContact O-N 2.83Å; V716-T719 PolarHBondContact O-OG1 2.86Å; V716-G720 PolarHBondContact O-N 3.48Å
717E85.3Confident88.5Confident130 Ų13090.4 Ų90.461%0.60752%0.523SS*.Hα-helixtrans-59.6-48.1176.7-75.9-179.4175.600111.4S713 T719 G720 T721S713-E717 WeakPolarHBondContact O-CB 3.41Å; S713-E717 WeakPolarHBondContact O-CG 3.29Å; S713-E717 PolarHBondContact O-N 3.28Å; E717-T719 VanDerWaalsContact C-N 3.32Å; E717-T719 PolarHBondContact O-N 3.24Å; E717-G720 PolarHBondContact O-N 3.27Å; E717-T721 WeakPolarHBondContact O-CG2 3.33Å; E717-T721 PolarHBondContact O-N 3.45Å; E717-T721 PolarHBondContact O-OG1 3.02Å; E717-T721 VanDerWaalsContact O-OG1 3.1Å
718S89.2Confident88.5Confident77 Ų7788.5 Ų88.554%0.53852%0.519SS..Hα-helixtrans-62.8-37178.7-178.90000112.7M714 A715 T721 A722M714-S718 VanDerWaalsContact O-CB 3.22Å; M714-S718 WeakPolarHBondContact O-CB 3.46Å; M714-S718 PolarHBondContact O-N 2.83Å; A715-S718 PolarHBondContact O-N 3.42Å; S718-T721 PolarHBondContact O-OG1 2.68Å; S718-T721 VanDerWaalsContact O-OG1 3.14Å; S718-A722 VanDerWaalsContact O-CB 3.27Å; S718-A722 WeakPolarHBondContact O-CB 3.1Å; S718-A722 PolarHBondContact O-N 2.87Å
719T87.7Confident88.6Confident95 Ų9593.1 Ų93.158%0.58353%0.532SS*.Hα-helixtrans-73.6-35.1174.961.10000112.3A715 V716 E717 K723A715-T719 VanDerWaalsContact O-CG2 3.27Å; A715-T719 WeakPolarHBondContact O-CG2 3.21Å; A715-T719 PolarHBondContact O-N 3.36Å; A715-T719 PolarHBondContact O-OG1 2.89Å; V716-T719 PolarHBondContact O-N 2.83Å; V716-T719 PolarHBondContact O-OG1 2.86Å; E717-T719 VanDerWaalsContact C-N 3.32Å; E717-T719 PolarHBondContact O-N 3.24Å; T719-K723 VanDerWaalsContact O-CB 3.23Å; T719-K723 WeakPolarHBondContact O-CB 3.43Å; T719-K723 PolarHBondContact O-N 2.88Å
720G89.1Confident88.7Confident38 Ų3890.9 Ų90.939%0.39253%0.529SS..Hα-helixtrans-66.8-46.1176.800000112.4V716 E717 K723 A724V716-G720 PolarHBondContact O-N 3.48Å; E717-G720 PolarHBondContact O-N 3.27Å; G720-K723 PolarHBondContact O-N 2.93Å; G720-A724 VanDerWaalsContact O-CB 3.26Å; G720-A724 WeakPolarHBondContact O-CB 3.45Å; G720-A724 PolarHBondContact O-N 2.81Å
721T88.6Confident89Confident80 Ų8090 Ų9049%0.49153%0.525SS..Hα-helixtrans-64.6-47.5176.354.80000111.1E717 S718 K723 A724 E725E717-T721 WeakPolarHBondContact O-CG2 3.33Å; E717-T721 PolarHBondContact O-N 3.45Å; E717-T721 PolarHBondContact O-OG1 3.02Å; E717-T721 VanDerWaalsContact O-OG1 3.1Å; S718-T721 PolarHBondContact O-OG1 2.68Å; S718-T721 VanDerWaalsContact O-OG1 3.14Å; T721-K723 VanDerWaalsContact C-N 3.3Å; T721-K723 PolarHBondContact O-N 3.38Å; T721-A724 PolarHBondContact O-N 3.48Å; T721-E725 WeakPolarHBondContact O-CB 3.3Å; T721-E725 WeakPolarHBondContact O-CG 3.39Å; T721-E725 PolarHBondContact O-N 2.62Å
722A88.7Confident89.2Confident56 Ų5690.1 Ų90.146%0.46353%0.526SS..Hα-helixtrans-60.4-39.6177.700000112.3S718 A726S718-A722 VanDerWaalsContact O-CB 3.27Å; S718-A722 WeakPolarHBondContact O-CB 3.1Å; S718-A722 PolarHBondContact O-N 2.87Å; A722-A726 VanDerWaalsContact O-CB 3.25Å; A722-A726 WeakPolarHBondContact O-CB 3.44Å; A722-A726 PolarHBondContact O-N 2.79Å
723K91.5Very high89.5Confident131 Ų13187.4 Ų87.457%0.5752%0.52SS*.Hα-helixtrans-69.8-45.5176.9-173.5177.3175-175.80111.9T719 G720 T721 A726 E727T719-K723 VanDerWaalsContact O-CB 3.23Å; T719-K723 WeakPolarHBondContact O-CB 3.43Å; T719-K723 PolarHBondContact O-N 2.88Å; G720-K723 PolarHBondContact O-N 2.93Å; T721-K723 VanDerWaalsContact C-N 3.3Å; T721-K723 PolarHBondContact O-N 3.38Å; K723-A726 PolarHBondContact O-N 3.19Å; K723-E727 WeakPolarHBondContact CE-OE1 3.43Å; K723-E727 HydrophobicContact CG-CG 4.48Å; K723-E727 IonicContact NZ-OE1 2.83Å; K723-E727 WeakPolarHBondContact O-CB 3.46Å; K723-E727 WeakPolarHBondContact O-CG 3.45Å; K723-E727 PolarHBondContact O-N 3.24Å
724A85.3Confident89.7Confident55 Ų5590.4 Ų90.446%0.45552%0.522SS..Hα-helixtrans-64.1-40.6178.500000112G720 T721 S728G720-A724 VanDerWaalsContact O-CB 3.26Å; G720-A724 WeakPolarHBondContact O-CB 3.45Å; G720-A724 PolarHBondContact O-N 2.81Å; T721-A724 PolarHBondContact O-N 3.48Å; A724-S728 VanDerWaalsContact O-CB 3.22Å; A724-S728 WeakPolarHBondContact O-CB 3.37Å; A724-S728 PolarHBondContact O-N 2.77Å; A724-S728 PolarHBondContact O-OG 2.95Å
725E86.7Confident89.8Confident135 Ų13589.7 Ų89.763%0.63152%0.52SS*.Hα-helixtrans-65.9-41.1174-75.5-175.7173.200111.8T721 S728 R729T721-E725 WeakPolarHBondContact O-CB 3.3Å; T721-E725 WeakPolarHBondContact O-CG 3.39Å; T721-E725 PolarHBondContact O-N 2.62Å; E725-S728 WeakPolarHBondContact CA-OG 3.23Å; E725-S728 PolarHBondContact O-OG 2.98Å; E725-S728 VanDerWaalsContact O-OG 3.1Å; E725-R729 WeakPolarHBondContact O-CB 3.32Å; E725-R729 PolarHBondContact O-N 2.95Å
726A88.2Confident89.8Confident63 Ų6393.9 Ų93.952%0.52153%0.53SS..Hα-helixtrans-64.6-45.3176.500000112.1A722 K723 A730A722-A726 VanDerWaalsContact O-CB 3.25Å; A722-A726 WeakPolarHBondContact O-CB 3.44Å; A722-A726 PolarHBondContact O-N 2.79Å; K723-A726 PolarHBondContact O-N 3.19Å; A726-A730 VanDerWaalsContact O-CB 3.29Å; A726-A730 WeakPolarHBondContact O-CB 3.47Å; A726-A730 PolarHBondContact O-N 2.97Å
727E91.7Very high89.9Confident118 Ų11890.9 Ų90.955%0.55152%0.52SS*.Hα-helixtrans-67.7-45.8178.8-73.9177.6176.900111.7K723 R729 A730 E731K723-E727 WeakPolarHBondContact CE-OE1 3.43Å; K723-E727 HydrophobicContact CG-CG 4.48Å; K723-E727 IonicContact NZ-OE1 2.83Å; K723-E727 WeakPolarHBondContact O-CB 3.46Å; K723-E727 WeakPolarHBondContact O-CG 3.45Å; K723-E727 PolarHBondContact O-N 3.24Å; E727-R729 PolarHBondContact O-N 2.79Å; E727-A730 PolarHBondContact O-N 2.82Å; E727-E731 WeakPolarHBondContact O-CB 3.48Å; E727-E731 PolarHBondContact O-N 3.49Å
728S90.2Very high90.3Very high71 Ų7189.6 Ų89.650%0.49751%0.514SS..Hα-helixtrans-63.3-39.6177.358.20000112.3A724 E725 E731 A732A724-S728 VanDerWaalsContact O-CB 3.22Å; A724-S728 WeakPolarHBondContact O-CB 3.37Å; A724-S728 PolarHBondContact O-N 2.77Å; A724-S728 PolarHBondContact O-OG 2.95Å; E725-S728 WeakPolarHBondContact CA-OG 3.23Å; E725-S728 PolarHBondContact O-OG 2.98Å; E725-S728 VanDerWaalsContact O-OG 3.1Å; S728-E731 PolarHBondContact O-N 2.84Å; S728-A732 VanDerWaalsContact O-CB 3.24Å; S728-A732 WeakPolarHBondContact O-CB 2.98Å; S728-A732 PolarHBondContact O-N 3.15Å
729R91.1Very high90.6Very high204 Ų20487.8 Ų87.877%0.7751%0.507SS*.Hα-helixtrans-69.3-38.5176.4-169.5173.9-173164.92.7112.3E725 E727 A733E725-R729 WeakPolarHBondContact O-CB 3.32Å; E725-R729 PolarHBondContact O-N 2.95Å; E727-R729 PolarHBondContact O-N 2.79Å; R729-A733 WeakPolarHBondContact O-CB 3.36Å; R729-A733 PolarHBondContact O-N 2.98Å
730A91.6Very high90.9Very high63 Ų6386.4 Ų86.452%0.52150%0.501SS..Hα-helixtrans-64.3-43.6174.700000111.3A726 E727 A733 R734A726-A730 VanDerWaalsContact O-CB 3.29Å; A726-A730 WeakPolarHBondContact O-CB 3.47Å; A726-A730 PolarHBondContact O-N 2.97Å; E727-A730 PolarHBondContact O-N 2.82Å; A730-A733 PolarHBondContact O-N 3.05Å; A730-R734 WeakPolarHBondContact O-CB 3.38Å; A730-R734 PolarHBondContact O-N 2.88Å
731E91.9Very high91Very high78 Ų7888.4 Ų88.436%0.36451%0.505SS..Hα-helixtrans-69.4-41.8179.2-17459.2-165.700112E727 S728 A733 R734 I735E727-E731 WeakPolarHBondContact O-CB 3.48Å; E727-E731 PolarHBondContact O-N 3.49Å; S728-E731 PolarHBondContact O-N 2.84Å; E731-A733 VanDerWaalsContact C-N 3.34Å; E731-A733 PolarHBondContact O-N 2.79Å; E731-R734 WeakPolarHBondContact O-CB 3.08Å; E731-R734 PolarHBondContact O-N 2.83Å; E731-R734 VanDerWaalsContact O-N 3.17Å; E731-R734 IonicContact OE1-CZ 2.89Å; E731-R734 IonicContact OE1-NE 2.83Å; E731-R734 PolarHBondContact OE1-NE 2.85Å; E731-R734 IonicContact OE1-NH2 3.9Å; E731-R734 PolarHBondContact OE1-NH2 3Å; E731-R734 IonicContact OE2-CZ 3.2Å; E731-R734 IonicContact OE2-NE 3.24Å; E731-R734 PolarHBondContact OE2-NE 2.97Å; E731-R734 IonicContact OE2-NH2 2.71Å; E731-R734 PolarHBondContact OE2-NH2 2.99Å; E731-I735 HydrophobicContact CG-CD1 4.11Å; E731-I735 WeakPolarHBondContact O-CG1 3.48Å; E731-I735 PolarHBondContact O-N 2.88Å
732A92.8Very high91.3Very high56 Ų5689.5 Ų89.546%0.46351%0.508SS..Hα-helixtrans-59.2-45.1173.800000111.6S728 R734 I735 E736S728-A732 VanDerWaalsContact O-CB 3.24Å; S728-A732 WeakPolarHBondContact O-CB 2.98Å; S728-A732 PolarHBondContact O-N 3.15Å; A732-R734 VanDerWaalsContact C-N 3.32Å; A732-R734 PolarHBondContact O-N 2.78Å; A732-I735 PolarHBondContact O-N 2.9Å; A732-E736 WeakPolarHBondContact O-CB 3.41Å; A732-E736 PolarHBondContact O-N 3.25Å
733A93.4Very high91.5Very high58 Ų5892 Ų9248%0.47951%0.51SS..Hα-helixtrans-65.1-34.7176.200000112.6R729 A730 E731 G737R729-A733 WeakPolarHBondContact O-CB 3.36Å; R729-A733 PolarHBondContact O-N 2.98Å; A730-A733 PolarHBondContact O-N 3.05Å; E731-A733 VanDerWaalsContact C-N 3.34Å; E731-A733 PolarHBondContact O-N 2.79Å; A733-G737 PolarHBondContact O-N 3.12Å
734R94Very high91.5Very high123 Ų12388.6 Ų88.646%0.46451%0.506SS..Hα-helixtrans-64.8-48.9174.4-172.6179.776.195.5-5.7111.3A730 E731 A732 E736 G737 E738A730-R734 WeakPolarHBondContact O-CB 3.38Å; A730-R734 PolarHBondContact O-N 2.88Å; E731-R734 WeakPolarHBondContact O-CB 3.08Å; E731-R734 PolarHBondContact O-N 2.83Å; E731-R734 VanDerWaalsContact O-N 3.17Å; E731-R734 IonicContact OE1-CZ 2.89Å; E731-R734 IonicContact OE1-NE 2.83Å; E731-R734 PolarHBondContact OE1-NE 2.85Å; E731-R734 IonicContact OE1-NH2 3.9Å; E731-R734 PolarHBondContact OE1-NH2 3Å; E731-R734 IonicContact OE2-CZ 3.2Å; E731-R734 IonicContact OE2-NE 3.24Å; E731-R734 PolarHBondContact OE2-NE 2.97Å; E731-R734 IonicContact OE2-NH2 2.71Å; E731-R734 PolarHBondContact OE2-NH2 2.99Å; A732-R734 VanDerWaalsContact C-N 3.32Å; A732-R734 PolarHBondContact O-N 2.78Å; R734-E736 PolarHBondContact O-N 3.12Å; R734-G737 PolarHBondContact O-N 3.01Å; R734-E738 WeakPolarHBondContact CG-OE1 3.38Å; R734-E738 IonicContact CZ-OE1 2.96Å; R734-E738 IonicContact NH1-OE1 3.98Å; R734-E738 PolarHBondContact NH1-OE1 3.06Å; R734-E738 IonicContact NH1-OE2 3.49Å; R734-E738 WeakPolarHBondContact O-CB 3.32Å; R734-E738 WeakPolarHBondContact O-CG 3.39Å; R734-E738 PolarHBondContact O-N 3.29Å
735I90.9Very high92Very high100 Ų10092.4 Ų92.451%0.51351%0.513SS..Hα-helixtrans-62.2-43.6178.5-66.8167.9000110.6E731 A732 E738 G739E731-I735 HydrophobicContact CG-CD1 4.11Å; E731-I735 WeakPolarHBondContact O-CG1 3.48Å; E731-I735 PolarHBondContact O-N 2.88Å; A732-I735 PolarHBondContact O-N 2.9Å; I735-E738 PolarHBondContact O-N 2.98Å; I735-G739 PolarHBondContact O-N 3.45Å
736E88.4Confident92.3Very high141 Ų14190.6 Ų90.666%0.65951%0.507SS*.Hα-helixtrans-65.1-40.8177.5-170.7178.8-17400111.9A732 R734 S740A732-E736 WeakPolarHBondContact O-CB 3.41Å; A732-E736 PolarHBondContact O-N 3.25Å; R734-E736 PolarHBondContact O-N 3.12Å; E736-S740 VanDerWaalsContact O-CB 3.28Å; E736-S740 WeakPolarHBondContact O-CB 3.46Å; E736-S740 PolarHBondContact O-N 3.5Å; E736-S740 PolarHBondContact O-OG 2.92Å
737G92.6Very high92.5Very high37 Ų3793.8 Ų93.838%0.38151%0.509SS..Hα-helixtrans-63.4-48.5174.200000112.6A733 R734 S740 V741A733-G737 PolarHBondContact O-N 3.12Å; R734-G737 PolarHBondContact O-N 3.01Å; G737-S740 PolarHBondContact O-N 2.93Å; G737-V741 WeakPolarHBondContact O-CG2 3.46Å; G737-V741 PolarHBondContact O-N 2.87Å
738E93.1Very high92.6Very high103 Ų10391.2 Ų91.248%0.48151%0.507SS..Hα-helixtrans-62.7-44.3176.8-74.8177.2-169.200111.4R734 I735 S740 V741 L742R734-E738 WeakPolarHBondContact CG-OE1 3.38Å; R734-E738 IonicContact CZ-OE1 2.96Å; R734-E738 IonicContact NH1-OE1 3.98Å; R734-E738 PolarHBondContact NH1-OE1 3.06Å; R734-E738 IonicContact NH1-OE2 3.49Å; R734-E738 WeakPolarHBondContact O-CB 3.32Å; R734-E738 WeakPolarHBondContact O-CG 3.39Å; R734-E738 PolarHBondContact O-N 3.29Å; I735-E738 PolarHBondContact O-N 2.98Å; E738-S740 PolarHBondContact O-N 3.49Å; E738-V741 PolarHBondContact O-N 3.36Å; E738-L742 WeakPolarHBondContact O-CB 3.31Å; E738-L742 PolarHBondContact O-N 3.49Å
739G94.3Very high92.7Very high39 Ų3993.4 Ų93.440%0.40251%0.51SS..Hα-helixtrans-61.2-4317600000112.5I735 L742 Q743I735-G739 PolarHBondContact O-N 3.45Å; G739-L742 PolarHBondContact O-N 3.46Å; G739-Q743 WeakPolarHBondContact O-CB 3.49Å; G739-Q743 PolarHBondContact O-N 3.06Å
740S94Very high92.8Very high65 Ų6586 Ų8646%0.45549%0.492SS..Hα-helixtrans-64.7-41.8176.7-63.90000112.2E736 G737 E738 Q743 A744E736-S740 VanDerWaalsContact O-CB 3.28Å; E736-S740 WeakPolarHBondContact O-CB 3.46Å; E736-S740 PolarHBondContact O-N 3.5Å; E736-S740 PolarHBondContact O-OG 2.92Å; G737-S740 PolarHBondContact O-N 2.93Å; E738-S740 PolarHBondContact O-N 3.49Å; S740-Q743 PolarHBondContact O-N 2.75Å; S740-A744 WeakPolarHBondContact O-CB 3.22Å; S740-A744 PolarHBondContact O-N 2.83Å
741V93.1Very high92.9Very high80 Ų8088.1 Ų88.149%0.48549%0.494SS..Hα-helixtrans-64.4-42.7175.3170.90000110.9G737 E738 A744 K745G737-V741 WeakPolarHBondContact O-CG2 3.46Å; G737-V741 PolarHBondContact O-N 2.87Å; E738-V741 PolarHBondContact O-N 3.36Å; V741-A744 PolarHBondContact O-N 3.28Å; V741-K745 HydrophobicContact CG1-CD 4.34Å; V741-K745 WeakPolarHBondContact O-CG 3.39Å; V741-K745 PolarHBondContact O-N 2.85Å
742L93.2Very high93Very high104 Ų10486.9 Ų86.955%0.54550%0.497SS..Hα-helixtrans-65.8-44.1179.2-157.9157.7000110.6E738 G739 A744 K745 L746E738-L742 WeakPolarHBondContact O-CB 3.31Å; E738-L742 PolarHBondContact O-N 3.49Å; G739-L742 PolarHBondContact O-N 3.46Å; L742-A744 VanDerWaalsContact C-N 3.35Å; L742-A744 PolarHBondContact O-N 3.25Å; L742-K745 PolarHBondContact O-N 2.93Å; L742-L746 HydrophobicContact CD2-CD1 3.46Å; L742-L746 VanDerWaalsContact CD2-CD1 3.46Å; L742-L746 HydrophobicContact CD2-CG 3.93Å; L742-L746 WeakPolarHBondContact O-CG 3.29Å; L742-L746 PolarHBondContact O-N 2.82Å
743Q93.1Very high93Very high108 Ų10889.9 Ų89.951%0.50550%0.504SS..Hα-helixtrans-62-41.6175.1-166.6-175.525.400111.9G739 S740 L746 K747G739-Q743 WeakPolarHBondContact O-CB 3.49Å; G739-Q743 PolarHBondContact O-N 3.06Å; S740-Q743 PolarHBondContact O-N 2.75Å; Q743-L746 PolarHBondContact O-N 2.91Å; Q743-K747 HydrophobicContact CG-CD 4.48Å; Q743-K747 WeakPolarHBondContact O-CB 3.49Å; Q743-K747 WeakPolarHBondContact O-CG 3.49Å; Q743-K747 PolarHBondContact O-N 3.14Å
744A92.9Very high92.7Very high59 Ų5993.4 Ų93.449%0.48851%0.511SS..Hα-helixtrans-63.6-41175.500000111.9S740 V741 L742 K747 A748S740-A744 WeakPolarHBondContact O-CB 3.22Å; S740-A744 PolarHBondContact O-N 2.83Å; V741-A744 PolarHBondContact O-N 3.28Å; L742-A744 VanDerWaalsContact C-N 3.35Å; L742-A744 PolarHBondContact O-N 3.25Å; A744-K747 PolarHBondContact O-N 3.11Å; A744-A748 WeakPolarHBondContact O-CB 3.37Å; A744-A748 PolarHBondContact O-N 2.68Å
745K94.1Very high92.6Very high136 Ų13690.9 Ų90.959%0.59151%0.509SS*.Hα-helixtrans-62.6-46.8174.7-76.5177.1-179.2178.10112V741 L742 A748 Q749V741-K745 HydrophobicContact CG1-CD 4.34Å; V741-K745 WeakPolarHBondContact O-CG 3.39Å; V741-K745 PolarHBondContact O-N 2.85Å; L742-K745 PolarHBondContact O-N 2.93Å; K745-A748 PolarHBondContact O-N 2.78Å; K745-Q749 WeakPolarHBondContact O-CG 3.47Å; K745-Q749 PolarHBondContact O-N 2.93Å
746L94.1Very high92.8Very high97 Ų9790.6 Ų90.651%0.50851%0.506SS..Hα-helixtrans-63.8-41.3178.4-72.3175.3000111.6L742 Q743 Q749 A750L742-L746 HydrophobicContact CD2-CD1 3.46Å; L742-L746 VanDerWaalsContact CD2-CD1 3.46Å; L742-L746 HydrophobicContact CD2-CG 3.93Å; L742-L746 WeakPolarHBondContact O-CG 3.29Å; L742-L746 PolarHBondContact O-N 2.82Å; Q743-L746 PolarHBondContact O-N 2.91Å; L746-Q749 PolarHBondContact O-N 2.68Å; L746-A750 WeakPolarHBondContact O-CB 3.43Å; L746-A750 PolarHBondContact O-N 2.95Å
747K92.7Very high93Very high130 Ų13086.5 Ų86.557%0.56550%0.496SS*.Hα-helixtrans-62.6-41.9174.1-77.6178.8178.4175.20112.1Q743 A744 Q749 A750 L751Q743-K747 HydrophobicContact CG-CD 4.48Å; Q743-K747 WeakPolarHBondContact O-CB 3.49Å; Q743-K747 WeakPolarHBondContact O-CG 3.49Å; Q743-K747 PolarHBondContact O-N 3.14Å; A744-K747 PolarHBondContact O-N 3.11Å; K747-Q749 VanDerWaalsContact C-N 3.34Å; K747-A750 PolarHBondContact O-N 2.74Å; K747-L751 WeakPolarHBondContact O-CB 3.47Å; K747-L751 PolarHBondContact O-N 2.85Å
748A92.7Very high92.9Very high63 Ų6390.1 Ų90.152%0.52150%0.503SS..Hα-helixtrans-64.3-39.2176.100000112A744 K745 A752A744-A748 WeakPolarHBondContact O-CB 3.37Å; A744-A748 PolarHBondContact O-N 2.68Å; K745-A748 PolarHBondContact O-N 2.78Å; A748-A752 WeakPolarHBondContact O-CB 3.26Å; A748-A752 PolarHBondContact O-N 3.01Å
749Q92.5Very high92.9Very high118 Ų11889.2 Ų89.255%0.55150%0.501SS*.Hα-helixtrans-67.2-44.4174.8-74.5177.4-15.800112.3K745 L746 K747 L751 A752 I753K745-Q749 WeakPolarHBondContact O-CG 3.47Å; K745-Q749 PolarHBondContact O-N 2.93Å; L746-Q749 PolarHBondContact O-N 2.68Å; K747-Q749 VanDerWaalsContact C-N 3.34Å; Q749-L751 VanDerWaalsContact C-N 3.35Å; Q749-L751 PolarHBondContact O-N 3.44Å; Q749-A752 WeakPolarHBondContact O-CB 3.3Å; Q749-A752 PolarHBondContact O-N 3.22Å; Q749-I753 WeakPolarHBondContact O-CG1 3.23Å; Q749-I753 PolarHBondContact O-N 2.94Å
750A93.3Very high92.8Very high47 Ų4792.3 Ų92.339%0.38851%0.505SS..Hα-helixtrans-59.7-46.9176.400000111L746 K747 A752 I753 E754L746-A750 WeakPolarHBondContact O-CB 3.43Å; L746-A750 PolarHBondContact O-N 2.95Å; K747-A750 PolarHBondContact O-N 2.74Å; A750-A752 VanDerWaalsContact C-N 3.33Å; A750-A752 PolarHBondContact O-N 3.47Å; A750-I753 PolarHBondContact O-N 2.98Å; A750-E754 WeakPolarHBondContact O-CG 3.27Å; A750-E754 PolarHBondContact O-N 3.3Å
751L94.2Very high92.8Very high108 Ų10896.7 Ų96.757%0.56551%0.512SS*.Hα-helixtrans-62.9-39.8176.7-167.8147.2000111.5K747 Q749 E754 T755K747-L751 WeakPolarHBondContact O-CB 3.47Å; K747-L751 PolarHBondContact O-N 2.85Å; Q749-L751 VanDerWaalsContact C-N 3.35Å; Q749-L751 PolarHBondContact O-N 3.44Å; L751-E754 PolarHBondContact O-N 2.93Å; L751-T755 HydrophobicContact CD2-CG2 3.86Å; L751-T755 HydrophobicContact CG-CG2 4.46Å; L751-T755 WeakPolarHBondContact O-CB 3.45Å; L751-T755 WeakPolarHBondContact O-CG2 3.3Å; L751-T755 PolarHBondContact O-N 3.42Å; L751-T755 PolarHBondContact O-OG1 2.9Å
752A93.5Very high92.7Very high52 Ų5296.5 Ų96.543%0.4351%0.51SS..Hα-helixtrans-61.1-45.5174.600000112A748 Q749 A750 T755 E756A748-A752 WeakPolarHBondContact O-CB 3.26Å; A748-A752 PolarHBondContact O-N 3.01Å; Q749-A752 WeakPolarHBondContact O-CB 3.3Å; Q749-A752 PolarHBondContact O-N 3.22Å; A750-A752 VanDerWaalsContact C-N 3.33Å; A750-A752 PolarHBondContact O-N 3.47Å; A752-T755 WeakPolarHBondContact CA-OG1 3.44Å; A752-T755 PolarHBondContact O-N 2.86Å; A752-T755 PolarHBondContact O-OG1 2.84Å; A752-E756 WeakPolarHBondContact O-CB 3.24Å; A752-E756 PolarHBondContact O-N 3.23Å
753I92.2Very high92.7Very high120 Ų12096.5 Ų96.562%0.61551%0.507SS*.Hα-helixtrans-63.4-45.4177.8-66.5165.3000111Q749 A750 E756 A757Q749-I753 WeakPolarHBondContact O-CG1 3.23Å; Q749-I753 PolarHBondContact O-N 2.94Å; A750-I753 PolarHBondContact O-N 2.98Å; I753-E756 PolarHBondContact O-N 3Å; I753-A757 WeakPolarHBondContact O-CB 3.45Å; I753-A757 PolarHBondContact O-N 2.95Å
754E88.8Confident92.7Very high131 Ų13198.2 Ų98.261%0.61251%0.513SS*.Hα-helixtrans-61-47.8177.1-75.7179.3172.400111.4A750 L751 E756 A757 E758A750-E754 WeakPolarHBondContact O-CG 3.27Å; A750-E754 PolarHBondContact O-N 3.3Å; L751-E754 PolarHBondContact O-N 2.93Å; E754-E756 VanDerWaalsContact C-N 3.33Å; E754-E756 PolarHBondContact O-N 3.17Å; E754-A757 PolarHBondContact O-N 3.24Å; E754-E758 WeakPolarHBondContact O-CB 3.24Å; E754-E758 WeakPolarHBondContact O-CG 3.42Å; E754-E758 PolarHBondContact O-N 3.13Å
755T92Very high92.7Very high71 Ų7198.9 Ų98.944%0.43651%0.511SS..Hα-helixtrans-63.5-37.7178.9570000112.6L751 A752 L759L751-T755 HydrophobicContact CD2-CG2 3.86Å; L751-T755 HydrophobicContact CG-CG2 4.46Å; L751-T755 WeakPolarHBondContact O-CB 3.45Å; L751-T755 WeakPolarHBondContact O-CG2 3.3Å; L751-T755 PolarHBondContact O-N 3.42Å; L751-T755 PolarHBondContact O-OG1 2.9Å; A752-T755 WeakPolarHBondContact CA-OG1 3.44Å; A752-T755 PolarHBondContact O-N 2.86Å; A752-T755 PolarHBondContact O-OG1 2.84Å; T755-L759 VanDerWaalsContact O-CB 3.27Å; T755-L759 WeakPolarHBondContact O-CB 3.28Å; T755-L759 PolarHBondContact O-N 3.49Å
756E93.8Very high92.6Very high94 Ų9499.6 Ų99.644%0.43951%0.51SS..Hα-helixtrans-68.3-43.1176.8-175.461.3-149.100111A752 I753 E754 L759 Q760A752-E756 WeakPolarHBondContact O-CB 3.24Å; A752-E756 PolarHBondContact O-N 3.23Å; I753-E756 PolarHBondContact O-N 3Å; E754-E756 VanDerWaalsContact C-N 3.33Å; E754-E756 PolarHBondContact O-N 3.17Å; E756-L759 PolarHBondContact O-N 3.14Å; E756-Q760 WeakPolarHBondContact O-CB 3.06Å; E756-Q760 VanDerWaalsContact O-CG 3.3Å; E756-Q760 WeakPolarHBondContact O-CG 3.28Å; E756-Q760 PolarHBondContact O-N 2.84Å; E756-Q760 PolarHBondContact OE1-NE2 3.43Å
757A92.8Very high92.5Very high55 Ų55100.9 Ų100.946%0.45551%0.513SS..Hα-helixtrans-63.9-41.4175.900000111.8I753 E754 R761I753-A757 WeakPolarHBondContact O-CB 3.45Å; I753-A757 PolarHBondContact O-N 2.95Å; E754-A757 PolarHBondContact O-N 3.24Å; A757-R761 WeakPolarHBondContact O-CB 3.39Å; A757-R761 PolarHBondContact O-N 3.25Å
758E91.4Very high92.5Very high112 Ų112100.1 Ų100.152%0.52352%0.515SS..Hα-helixtrans-63.9-43.6173.9-76.5-167.3153.900112E754 R761 V762E754-E758 WeakPolarHBondContact O-CB 3.24Å; E754-E758 WeakPolarHBondContact O-CG 3.42Å; E754-E758 PolarHBondContact O-N 3.13Å; E758-R761 PolarHBondContact O-N 2.85Å; E758-V762 WeakPolarHBondContact O-CB 3.48Å; E758-V762 VanDerWaalsContact O-CG2 3.27Å; E758-V762 WeakPolarHBondContact O-CG2 3.28Å; E758-V762 PolarHBondContact O-N 2.81Å
759L92.8Very high92.5Very high84 Ų84101.6 Ų101.644%0.4451%0.511SS..Hα-helixtrans-59.7-49177-175.475.9000110.8T755 E756 R761 V762 Q763T755-L759 VanDerWaalsContact O-CB 3.27Å; T755-L759 WeakPolarHBondContact O-CB 3.28Å; T755-L759 PolarHBondContact O-N 3.49Å; E756-L759 PolarHBondContact O-N 3.14Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-R761 PolarHBondContact O-N 3.26Å; L759-V762 PolarHBondContact O-N 2.83Å; L759-Q763 WeakPolarHBondContact O-CB 3.35Å; L759-Q763 VanDerWaalsContact O-CG 3.32Å; L759-Q763 WeakPolarHBondContact O-CG 3.12Å; L759-Q763 PolarHBondContact O-N 2.83Å
760Q91.7Very high92.5Very high105 Ų105101 Ų10149%0.49151%0.511SS..Hα-helixtrans-61.8-41.7178.4-72.8177.710.200111.8E756 Q763 K764E756-Q760 WeakPolarHBondContact O-CB 3.06Å; E756-Q760 VanDerWaalsContact O-CG 3.3Å; E756-Q760 WeakPolarHBondContact O-CG 3.28Å; E756-Q760 PolarHBondContact O-N 2.84Å; E756-Q760 PolarHBondContact OE1-NE2 3.43Å; Q760-Q763 PolarHBondContact O-N 2.83Å; Q760-K764 WeakPolarHBondContact O-CB 3.44Å; Q760-K764 PolarHBondContact O-N 3.42Å
761R93Very high92.5Very high157 Ų157103.1 Ų103.159%0.59252%0.519SS*.Hα-helixtrans-60.6-48.2174.6-175.1-171.864.8149.2-4.4111.1A757 E758 L759 K764 V765A757-R761 WeakPolarHBondContact O-CB 3.39Å; A757-R761 PolarHBondContact O-N 3.25Å; E758-R761 PolarHBondContact O-N 2.85Å; L759-R761 VanDerWaalsContact C-N 3.34Å; L759-R761 PolarHBondContact O-N 3.26Å; R761-K764 PolarHBondContact O-N 3.32Å; R761-V765 VanDerWaalsContact O-CG2 3.29Å; R761-V765 WeakPolarHBondContact O-CG2 3.48Å; R761-V765 PolarHBondContact O-N 3.14Å
762V92.6Very high92.4Very high75 Ų75105 Ų10546%0.45552%0.52SS..Hα-helixtrans-64-42.5179.7171.30000111.2E758 L759 V765 R766E758-V762 WeakPolarHBondContact O-CB 3.48Å; E758-V762 VanDerWaalsContact O-CG2 3.27Å; E758-V762 WeakPolarHBondContact O-CG2 3.28Å; E758-V762 PolarHBondContact O-N 2.81Å; L759-V762 PolarHBondContact O-N 2.83Å; V762-V765 PolarHBondContact O-N 3.39Å; V762-R766 HydrophobicContact CG1-CG 4.42Å; V762-R766 WeakPolarHBondContact O-CB 3.4Å; V762-R766 VanDerWaalsContact O-CG 3.3Å; V762-R766 WeakPolarHBondContact O-CG 3.42Å; V762-R766 PolarHBondContact O-N 3.41Å
763Q92.5Very high92.3Very high104 Ų104104.5 Ų104.549%0.48652%0.516SS..Hα-helixtrans-59.2-48.7175.6-76.7177.9-0.400111.3L759 Q760 V765 R766 E767L759-Q763 WeakPolarHBondContact O-CB 3.35Å; L759-Q763 VanDerWaalsContact O-CG 3.32Å; L759-Q763 WeakPolarHBondContact O-CG 3.12Å; L759-Q763 PolarHBondContact O-N 2.83Å; Q760-Q763 PolarHBondContact O-N 2.83Å; Q763-V765 PolarHBondContact O-N 3.32Å; Q763-R766 PolarHBondContact O-N 3.42Å; Q763-R766 VanDerWaalsContact O-N 3.16Å; Q763-E767 WeakPolarHBondContact O-CG 3.38Å; Q763-E767 PolarHBondContact O-N 3.04Å
764K92.8Very high92.3Very high145 Ų145106.9 Ų106.963%0.6352%0.517SS*.Hα-helixtrans-65.1-39-178.7-162.8162.9-175.3173.40112.6Q760 R761 E767 L768Q760-K764 WeakPolarHBondContact O-CB 3.44Å; Q760-K764 PolarHBondContact O-N 3.42Å; R761-K764 PolarHBondContact O-N 3.32Å; K764-E767 PolarHBondContact O-N 3.46Å; K764-L768 WeakPolarHBondContact O-CG 3.46Å; K764-L768 PolarHBondContact O-N 2.98Å
765V93.7Very high92.5Very high73 Ų73103.1 Ų103.144%0.44251%0.509SS..Hα-helixtrans-62.2-46.4172.6170.80000110.5R761 V762 Q763 E767 L768 E769R761-V765 VanDerWaalsContact O-CG2 3.29Å; R761-V765 WeakPolarHBondContact O-CG2 3.48Å; R761-V765 PolarHBondContact O-N 3.14Å; V762-V765 PolarHBondContact O-N 3.39Å; Q763-V765 PolarHBondContact O-N 3.32Å; V765-E767 PolarHBondContact O-N 3.3Å; V765-L768 PolarHBondContact O-N 3.5Å; V765-E769 HydrophobicContact CG1-CG 4.45Å; V765-E769 WeakPolarHBondContact O-CG 3.48Å; V765-E769 PolarHBondContact O-N 2.87Å
766R91.6Very high92.5Very high151 Ų151104.1 Ų104.157%0.5751%0.508SS*.Hα-helixtrans-63.7-38.5177.7-73.7-65.5-173.1-167.63.8112.9V762 Q763 E769 L770V762-R766 HydrophobicContact CG1-CG 4.42Å; V762-R766 WeakPolarHBondContact O-CB 3.4Å; V762-R766 VanDerWaalsContact O-CG 3.3Å; V762-R766 WeakPolarHBondContact O-CG 3.42Å; V762-R766 PolarHBondContact O-N 3.41Å; Q763-R766 PolarHBondContact O-N 3.42Å; Q763-R766 VanDerWaalsContact O-N 3.16Å; R766-E769 WeakPolarHBondContact CD-OE2 3.34Å; R766-E769 IonicContact CZ-OE2 3.75Å; R766-E769 IonicContact NE-OE2 3.31Å; R766-E769 IonicContact NH1-OE2 2.79Å; R766-E769 PolarHBondContact NH1-OE2 3.41Å; R766-E769 PolarHBondContact O-N 3.45Å; R766-L770 WeakPolarHBondContact O-CB 3.42Å; R766-L770 VanDerWaalsContact O-CG 3.26Å; R766-L770 WeakPolarHBondContact O-CG 3.24Å; R766-L770 PolarHBondContact O-N 3.11Å
767E92.1Very high92.5Very high123 Ų123104.7 Ų104.758%0.57551%0.514SS*.Hα-helixtrans-61.8-46.1174.4-77.2179.8168.900111.3Q763 K764 V765 L770 V771Q763-E767 WeakPolarHBondContact O-CG 3.38Å; Q763-E767 PolarHBondContact O-N 3.04Å; K764-E767 PolarHBondContact O-N 3.46Å; V765-E767 PolarHBondContact O-N 3.3Å; E767-L770 PolarHBondContact O-N 2.78Å; E767-V771 VanDerWaalsContact O-CG2 3.29Å; E767-V771 WeakPolarHBondContact O-CG2 3.38Å; E767-V771 PolarHBondContact O-N 2.82Å
768L93.4Very high92.5Very high115 Ų115108.9 Ų108.960%0.60252%0.524SS*.Hα-helixtrans-63.8-42.5176.8-70.2171.6000111.9K764 V765 L770 V771 Y772K764-L768 WeakPolarHBondContact O-CG 3.46Å; K764-L768 PolarHBondContact O-N 2.98Å; V765-L768 PolarHBondContact O-N 3.5Å; L768-L770 VanDerWaalsContact C-N 3.34Å; L768-L770 PolarHBondContact O-N 3.42Å; L768-V771 PolarHBondContact O-N 2.78Å; L768-Y772 VanDerWaalsContact O-CB 3.31Å; L768-Y772 WeakPolarHBondContact O-CB 3.23Å; L768-Y772 PolarHBondContact O-N 2.85Å
769E91.7Very high92.6Very high94 Ų94109.5 Ų109.544%0.43953%0.53SS..Hα-helixtrans-59.7-43.5173.6-76.2179.7173.800111.6V765 R766 Y772 A773V765-E769 HydrophobicContact CG1-CG 4.45Å; V765-E769 WeakPolarHBondContact O-CG 3.48Å; V765-E769 PolarHBondContact O-N 2.87Å; R766-E769 WeakPolarHBondContact CD-OE2 3.34Å; R766-E769 IonicContact CZ-OE2 3.75Å; R766-E769 IonicContact NE-OE2 3.31Å; R766-E769 IonicContact NH1-OE2 2.79Å; R766-E769 PolarHBondContact NH1-OE2 3.41Å; R766-E769 PolarHBondContact O-N 3.45Å; E769-Y772 PolarHBondContact O-N 3.5Å; E769-A773 VanDerWaalsContact O-CB 3.25Å; E769-A773 WeakPolarHBondContact O-CB 3.47Å; E769-A773 PolarHBondContact O-N 2.92Å
770L92.4Very high92.5Very high104 Ų104111.6 Ų111.655%0.54554%0.538SS..Hα-helixtrans-66.2-41.1177.9-76.8170.9000112.1R766 E767 L768 R774R766-L770 WeakPolarHBondContact O-CB 3.42Å; R766-L770 VanDerWaalsContact O-CG 3.26Å; R766-L770 WeakPolarHBondContact O-CG 3.24Å; R766-L770 PolarHBondContact O-N 3.11Å; E767-L770 PolarHBondContact O-N 2.78Å; L768-L770 VanDerWaalsContact C-N 3.34Å; L768-L770 PolarHBondContact O-N 3.42Å; L770-R774 WeakPolarHBondContact O-CB 3.48Å; L770-R774 VanDerWaalsContact O-CG 3.29Å; L770-R774 WeakPolarHBondContact O-CG 3.27Å; L770-R774 PolarHBondContact O-N 3.39Å
771V92.9Very high92.5Very high93 Ų93110.4 Ų110.456%0.56454%0.538SS*.Hα-helixtrans-63.7-45.8175.3170.50000110.3E767 L768 R774 A775E767-V771 VanDerWaalsContact O-CG2 3.29Å; E767-V771 WeakPolarHBondContact O-CG2 3.38Å; E767-V771 PolarHBondContact O-N 2.82Å; L768-V771 PolarHBondContact O-N 2.78Å; V771-R774 PolarHBondContact O-N 3.03Å; V771-A775 WeakPolarHBondContact O-CB 3.35Å; V771-A775 PolarHBondContact O-N 2.95Å
772Y92Very high92.5Very high146 Ų146105.2 Ų105.257%0.57353%0.525SS*.Hα-helixtrans-61.8-46.4176.8179.5-98.6000112L768 E769 R774 A775 Q776L768-Y772 VanDerWaalsContact O-CB 3.31Å; L768-Y772 WeakPolarHBondContact O-CB 3.23Å; L768-Y772 PolarHBondContact O-N 2.85Å; E769-Y772 PolarHBondContact O-N 3.5Å; Y772-R774 VanDerWaalsContact C-N 3.34Å; Y772-R774 PolarHBondContact O-N 2.79Å; Y772-A775 PolarHBondContact O-N 3.44Å; Y772-Q776 HydrophobicContact CD1-CG 4.28Å; Y772-Q776 HydrophobicContact CE1-CG 3.82Å; Y772-Q776 HydrophobicContact CE2-CG 4.34Å; Y772-Q776 PolarHBondContact O-N 3.3Å; Y772-Q776 PolarHBondContact OH-NE2 2.77Å
773A92.2Very high92.4Very high42 Ų42108 Ų10835%0.34753%0.531SS..Hα-helixtrans-62.9-39.2177.700000112.1E769 Q776 L777E769-A773 VanDerWaalsContact O-CB 3.25Å; E769-A773 WeakPolarHBondContact O-CB 3.47Å; E769-A773 PolarHBondContact O-N 2.92Å; A773-Q776 PolarHBondContact O-N 2.71Å; A773-L777 WeakPolarHBondContact O-CB 3.26Å; A773-L777 WeakPolarHBondContact O-CG 3.28Å; A773-L777 PolarHBondContact O-N 2.88Å
774R92.8Very high92.3Very high170 Ų170105.8 Ų105.864%0.64253%0.531SS*.Hα-helixtrans-63.4-46.4172.9-78176.7-178.2176.72.5111.7L770 V771 Y772 Q776 L777 E778L770-R774 WeakPolarHBondContact O-CB 3.48Å; L770-R774 VanDerWaalsContact O-CG 3.29Å; L770-R774 WeakPolarHBondContact O-CG 3.27Å; L770-R774 PolarHBondContact O-N 3.39Å; V771-R774 PolarHBondContact O-N 3.03Å; Y772-R774 VanDerWaalsContact C-N 3.34Å; Y772-R774 PolarHBondContact O-N 2.79Å; R774-Q776 VanDerWaalsContact C-N 3.34Å; R774-Q776 PolarHBondContact O-N 3.41Å; R774-L777 PolarHBondContact O-N 2.84Å; R774-E778 WeakPolarHBondContact O-CB 3.26Å; R774-E778 WeakPolarHBondContact O-CG 3.4Å; R774-E778 PolarHBondContact O-N 3.45Å
775A92.2Very high92.2Very high53 Ų53105 Ų10544%0.43853%0.529SS..Hα-helixtrans-63.2-39.8178.300000112V771 Y772 E778 L779V771-A775 WeakPolarHBondContact O-CB 3.35Å; V771-A775 PolarHBondContact O-N 2.95Å; Y772-A775 PolarHBondContact O-N 3.44Å; A775-E778 PolarHBondContact O-N 2.71Å; A775-L779 WeakPolarHBondContact O-CB 3.45Å; A775-L779 PolarHBondContact O-N 2.73Å
776Q92.7Very high92.1Very high92 Ų92107.2 Ų107.243%0.4354%0.535SS..Hα-helixtrans-63.1-46.8172.9-77.5-156.3-44.100111.8Y772 A773 R774 E778 L779 E780Y772-Q776 HydrophobicContact CD1-CG 4.28Å; Y772-Q776 HydrophobicContact CE1-CG 3.82Å; Y772-Q776 HydrophobicContact CE2-CG 4.34Å; Y772-Q776 PolarHBondContact O-N 3.3Å; Y772-Q776 PolarHBondContact OH-NE2 2.77Å; A773-Q776 PolarHBondContact O-N 2.71Å; R774-Q776 VanDerWaalsContact C-N 3.34Å; R774-Q776 PolarHBondContact O-N 3.41Å; Q776-E778 PolarHBondContact O-N 2.96Å; Q776-L779 PolarHBondContact O-N 3.23Å; Q776-E780 WeakPolarHBondContact O-CG 3.5Å; Q776-E780 PolarHBondContact O-N 3.22Å
777L92.9Very high92Very high105 Ų105104.7 Ų104.755%0.5553%0.532SS..Hα-helixtrans-61.9-42.2176.7-83.3165000112A773 R774 L779 E780 V781A773-L777 WeakPolarHBondContact O-CB 3.26Å; A773-L777 WeakPolarHBondContact O-CG 3.28Å; A773-L777 PolarHBondContact O-N 2.88Å; R774-L777 PolarHBondContact O-N 2.84Å; L777-L779 VanDerWaalsContact C-N 3.34Å; L777-E780 PolarHBondContact O-N 2.95Å; L777-V781 WeakPolarHBondContact O-CB 3.39Å; L777-V781 VanDerWaalsContact O-CG2 3.24Å; L777-V781 WeakPolarHBondContact O-CG2 3.33Å; L777-V781 PolarHBondContact O-N 3.36Å
778E93.2Very high91.9Very high144 Ų144101 Ų10167%0.67352%0.523SS*.Hα-helixtrans-62.7-41.9175.3-79.1-178.1173.500111.7R774 A775 Q776 V781 S782R774-E778 WeakPolarHBondContact O-CB 3.26Å; R774-E778 WeakPolarHBondContact O-CG 3.4Å; R774-E778 PolarHBondContact O-N 3.45Å; A775-E778 PolarHBondContact O-N 2.71Å; Q776-E778 PolarHBondContact O-N 2.96Å; E778-V781 PolarHBondContact O-N 2.75Å; E778-S782 VanDerWaalsContact O-CB 3.27Å; E778-S782 WeakPolarHBondContact O-CB 3.24Å; E778-S782 PolarHBondContact O-N 3.49Å
779L92.5Very high91.8Very high125 Ų125100.5 Ų100.565%0.65452%0.517SS*.Hα-helixtrans-64.1-41.9175.5-174.468.5000111.4A775 Q776 L777 S782 K783A775-L779 WeakPolarHBondContact O-CB 3.45Å; A775-L779 PolarHBondContact O-N 2.73Å; Q776-L779 PolarHBondContact O-N 3.23Å; L777-L779 VanDerWaalsContact C-N 3.34Å; L779-S782 PolarHBondContact O-N 2.55Å; L779-K783 VanDerWaalsContact O-CB 3.23Å; L779-K783 WeakPolarHBondContact O-CB 3.18Å; L779-K783 PolarHBondContact O-N 2.92Å
780E91Very high91.6Very high127 Ų127100.5 Ų100.559%0.59352%0.523SS*.Hα-helixtrans-64.7-43.3175.5-76.7-171.1168.800112.1Q776 L777 K783 A784Q776-E780 WeakPolarHBondContact O-CG 3.5Å; Q776-E780 PolarHBondContact O-N 3.22Å; L777-E780 PolarHBondContact O-N 2.95Å; E780-K783 PolarHBondContact O-N 2.81Å; E780-A784 VanDerWaalsContact O-CB 3.28Å; E780-A784 WeakPolarHBondContact O-CB 3.33Å; E780-A784 PolarHBondContact O-N 3.47Å
781V92.5Very high91.3Very high81 Ų81102 Ų10249%0.49153%0.528SS..Hα-helixtrans-62.8-44.6175.1169.50000110.5L777 E778 A784 Q785L777-V781 WeakPolarHBondContact O-CB 3.39Å; L777-V781 VanDerWaalsContact O-CG2 3.24Å; L777-V781 WeakPolarHBondContact O-CG2 3.33Å; L777-V781 PolarHBondContact O-N 3.36Å; E778-V781 PolarHBondContact O-N 2.75Å; V781-A784 PolarHBondContact O-N 3.37Å; V781-Q785 WeakPolarHBondContact O-CB 3.3Å; V781-Q785 WeakPolarHBondContact O-CG 3.46Å; V781-Q785 PolarHBondContact O-N 3.47Å
782S92.3Very high91.1Very high47 Ų47102.3 Ų102.333%0.32953%0.529SS..Hα-helixtrans-62.8-46177.2-173.90000111.4E778 L779 A784 Q785 Q786E778-S782 VanDerWaalsContact O-CB 3.27Å; E778-S782 WeakPolarHBondContact O-CB 3.24Å; E778-S782 PolarHBondContact O-N 3.49Å; L779-S782 PolarHBondContact O-N 2.55Å; S782-A784 PolarHBondContact O-N 3.27Å; S782-Q785 PolarHBondContact O-N 3.33Å; S782-Q786 WeakPolarHBondContact O-CG 3.32Å; S782-Q786 PolarHBondContact O-N 2.88Å
783K91.4Very high90.9Very high133 Ų133100.7 Ų100.758%0.57853%0.525SS*.Hα-helixtrans-59.5-45.5174.6-179.1-177.3176.8-176.90111.3L779 E780 Q786 L787L779-K783 VanDerWaalsContact O-CB 3.23Å; L779-K783 WeakPolarHBondContact O-CB 3.18Å; L779-K783 PolarHBondContact O-N 2.92Å; E780-K783 PolarHBondContact O-N 2.81Å; K783-Q786 PolarHBondContact O-N 2.88Å; K783-L787 HydrophobicContact CG-CD1 4.03Å; K783-L787 HydrophobicContact CG-CG 4.46Å; K783-L787 WeakPolarHBondContact O-CB 3.35Å; K783-L787 VanDerWaalsContact O-CG 3.27Å; K783-L787 WeakPolarHBondContact O-CG 3.45Å; K783-L787 PolarHBondContact O-N 2.89Å
784A90.6Very high90.6Very high58 Ų58105.2 Ų105.248%0.47954%0.537SS..Hα-helixtrans-64-40.1177.800000111.9E780 V781 S782 A788E780-A784 VanDerWaalsContact O-CB 3.28Å; E780-A784 WeakPolarHBondContact O-CB 3.33Å; E780-A784 PolarHBondContact O-N 3.47Å; V781-A784 PolarHBondContact O-N 3.37Å; S782-A784 PolarHBondContact O-N 3.27Å; A784-A788 VanDerWaalsContact O-CB 3.23Å; A784-A788 WeakPolarHBondContact O-CB 3.41Å; A784-A788 PolarHBondContact O-N 2.86Å
785Q90.7Very high90.1Very high129 Ų129103.3 Ų103.360%0.60353%0.534SS*.Hα-helixtrans-63-46.2173.8-78.2176.8-6.300111.9V781 S782 A788 E789V781-Q785 WeakPolarHBondContact O-CB 3.3Å; V781-Q785 WeakPolarHBondContact O-CG 3.46Å; V781-Q785 PolarHBondContact O-N 3.47Å; S782-Q785 PolarHBondContact O-N 3.33Å; Q785-A788 PolarHBondContact O-N 3.42Å; Q785-E789 WeakPolarHBondContact O-CB 3.43Å; Q785-E789 PolarHBondContact O-N 3.4Å
786Q90.5Very high89.8Confident120 Ų120106.6 Ų106.656%0.56154%0.538SS*.Hα-helixtrans-63.9-44.4178.1-72.7178.34.100111.7S782 K783 E789 V790S782-Q786 WeakPolarHBondContact O-CG 3.32Å; S782-Q786 PolarHBondContact O-N 2.88Å; K783-Q786 PolarHBondContact O-N 2.88Å; Q786-E789 PolarHBondContact O-N 2.69Å; Q786-V790 VanDerWaalsContact O-CG2 3.32Å; Q786-V790 WeakPolarHBondContact O-CG2 3.35Å; Q786-V790 PolarHBondContact O-N 3.37Å
787L91.1Very high89.5Confident97 Ų97108.5 Ų108.551%0.50855%0.547SS..Hα-helixtrans-61.6-44.5175.3-73.3173.7000111.1K783 E789 V790 E791K783-L787 HydrophobicContact CG-CD1 4.03Å; K783-L787 HydrophobicContact CG-CG 4.46Å; K783-L787 WeakPolarHBondContact O-CB 3.35Å; K783-L787 VanDerWaalsContact O-CG 3.27Å; K783-L787 WeakPolarHBondContact O-CG 3.45Å; K783-L787 PolarHBondContact O-N 2.89Å; L787-E789 VanDerWaalsContact C-N 3.31Å; L787-E789 PolarHBondContact O-N 3.43Å; L787-V790 PolarHBondContact O-N 3.06Å; L787-E791 WeakPolarHBondContact O-CB 3.45Å; L787-E791 WeakPolarHBondContact O-CG 3.43Å; L787-E791 PolarHBondContact O-N 2.95Å
788A88.7Confident88.9Confident46 Ų46108.1 Ų108.138%0.3854%0.544SS..Hα-helixtrans-61-39.5174.900000111.7A784 Q785 E791 V792A784-A788 VanDerWaalsContact O-CB 3.23Å; A784-A788 WeakPolarHBondContact O-CB 3.41Å; A784-A788 PolarHBondContact O-N 2.86Å; Q785-A788 PolarHBondContact O-N 3.42Å; A788-E791 PolarHBondContact O-N 3.25Å; A788-V792 WeakPolarHBondContact O-CB 3.2Å; A788-V792 WeakPolarHBondContact O-CG2 3.4Å; A788-V792 PolarHBondContact O-N 3.34Å
789E90.6Very high88.3Confident105 Ų105103.2 Ų103.249%0.49152%0.524SS..Hα-helixtrans-67.3-40.4177.4-155.8-166.5150.200112Q785 Q786 L787 V792 K793Q785-E789 WeakPolarHBondContact O-CB 3.43Å; Q785-E789 PolarHBondContact O-N 3.4Å; Q786-E789 PolarHBondContact O-N 2.69Å; L787-E789 VanDerWaalsContact C-N 3.31Å; L787-E789 PolarHBondContact O-N 3.43Å; E789-V792 PolarHBondContact O-N 3.48Å; E789-K793 WeakPolarHBondContact O-CB 3.46Å; E789-K793 WeakPolarHBondContact O-CG 3.36Å; E789-K793 PolarHBondContact O-N 3.33Å; E789-K793 WeakPolarHBondContact OE1-CE 3.38Å; E789-K793 IonicContact OE1-NZ 3.69Å; E789-K793 PolarHBondContact OE1-NZ 3.46Å
790V88.2Confident87.8Confident93 Ų93103.2 Ų103.256%0.56452%0.52SS*.Hα-helixtrans-63.9-43.2173.51720000110.6Q786 L787 K793 K794Q786-V790 VanDerWaalsContact O-CG2 3.32Å; Q786-V790 WeakPolarHBondContact O-CG2 3.35Å; Q786-V790 PolarHBondContact O-N 3.37Å; L787-V790 PolarHBondContact O-N 3.06Å; V790-K793 PolarHBondContact O-N 3Å; V790-K794 VanDerWaalsContact O-CB 3.3Å; V790-K794 WeakPolarHBondContact O-CB 3.3Å; V790-K794 PolarHBondContact O-N 3.05Å
791E85.8Confident87.4Confident137 Ų137101.3 Ų101.364%0.6453%0.527SS*.Hα-helixtrans-64.3-43175.8-78.2-173.1168.700112.1L787 A788 K793 K794 F795L787-E791 WeakPolarHBondContact O-CB 3.45Å; L787-E791 WeakPolarHBondContact O-CG 3.43Å; L787-E791 PolarHBondContact O-N 2.95Å; A788-E791 PolarHBondContact O-N 3.25Å; E791-K793 VanDerWaalsContact C-N 3.35Å; E791-K793 PolarHBondContact O-N 3.33Å; E791-K794 PolarHBondContact O-N 2.68Å; E791-F795 WeakPolarHBondContact O-CB 3.38Å; E791-F795 PolarHBondContact O-N 3.4Å
792V88.6Confident86.7Confident98 Ų98100.6 Ų100.659%0.59452%0.519SS*.Hα-helixtrans-61.4-43.6174.7168.60000110.5A788 E789 F795 K796A788-V792 WeakPolarHBondContact O-CB 3.2Å; A788-V792 WeakPolarHBondContact O-CG2 3.4Å; A788-V792 PolarHBondContact O-N 3.34Å; E789-V792 PolarHBondContact O-N 3.48Å; V792-F795 PolarHBondContact O-N 2.8Å; V792-K796 VanDerWaalsContact O-CB 3.25Å; V792-K796 WeakPolarHBondContact O-CB 3.29Å; V792-K796 PolarHBondContact O-N 3.17Å
793K88.3Confident86.1Confident112 Ų11299 Ų9949%0.48751%0.51SS..Hα-helixtrans-62.7-48.1175.5-78.4173.4-173.5159.70111.7E789 V790 E791 F795 K796 Q797E789-K793 WeakPolarHBondContact O-CB 3.46Å; E789-K793 WeakPolarHBondContact O-CG 3.36Å; E789-K793 PolarHBondContact O-N 3.33Å; E789-K793 WeakPolarHBondContact OE1-CE 3.38Å; E789-K793 IonicContact OE1-NZ 3.69Å; E789-K793 PolarHBondContact OE1-NZ 3.46Å; V790-K793 PolarHBondContact O-N 3Å; E791-K793 VanDerWaalsContact C-N 3.35Å; E791-K793 PolarHBondContact O-N 3.33Å; K793-F795 PolarHBondContact O-N 3.42Å; K793-K796 PolarHBondContact O-N 2.92Å; K793-Q797 WeakPolarHBondContact O-CG 3.25Å; K793-Q797 PolarHBondContact O-N 2.88Å
794K86.5Confident85.6Confident137 Ų13798.1 Ų98.160%0.59652%0.518SS*.Hα-helixtrans-60.3-45.1177.2-177.8-177.6177.4-176.40111.1V790 E791 Q797 M798V790-K794 VanDerWaalsContact O-CB 3.3Å; V790-K794 WeakPolarHBondContact O-CB 3.3Å; V790-K794 PolarHBondContact O-N 3.05Å; E791-K794 PolarHBondContact O-N 2.68Å; K794-Q797 PolarHBondContact O-N 3.15Å; K794-M798 WeakPolarHBondContact O-CB 3.45Å; K794-M798 PolarHBondContact O-N 2.78Å
795F82.8Confident84.9Confident130 Ų13098.8 Ų98.857%0.5752%0.519SS*.Hα-helixtrans-65.2-41.4177.9-173.2-95.3000111.5E791 V792 K793 M798 T799E791-F795 WeakPolarHBondContact O-CB 3.38Å; E791-F795 PolarHBondContact O-N 3.4Å; V792-F795 PolarHBondContact O-N 2.8Å; K793-F795 PolarHBondContact O-N 3.42Å; F795-M798 HydrophobicContact CD2-CE 4.43Å; F795-M798 PolarHBondContact O-N 3.36Å; F795-T799 HydrophobicContact CD1-CG2 4.02Å; F795-T799 HydrophobicContact CE1-CG2 3.6Å; F795-T799 HydrophobicContact CE2-CG2 4.33Å; F795-T799 HydrophobicContact CZ-CG2 3.77Å; F795-T799 WeakPolarHBondContact O-CB 3.21Å; F795-T799 WeakPolarHBondContact O-CG2 3.17Å; F795-T799 PolarHBondContact O-N 3.37Å; F795-T799 PolarHBondContact O-OG1 2.91Å
796K85.8Confident84.2Confident123 Ų12395.8 Ų95.854%0.53551%0.51SS..Hα-helixtrans-61.1-49.6173.8-176.1178173.9-178.50111.7V792 K793 M798 T799 E800V792-K796 VanDerWaalsContact O-CB 3.25Å; V792-K796 WeakPolarHBondContact O-CB 3.29Å; V792-K796 PolarHBondContact O-N 3.17Å; K793-K796 PolarHBondContact O-N 2.92Å; K796-M798 VanDerWaalsContact C-N 3.31Å; K796-M798 PolarHBondContact O-N 3.3Å; K796-T799 WeakPolarHBondContact CA-OG1 3.33Å; K796-T799 PolarHBondContact O-N 2.84Å; K796-T799 PolarHBondContact O-OG1 3.42Å; K796-E800 WeakPolarHBondContact CE-OE1 3.38Å; K796-E800 WeakPolarHBondContact O-CB 3.25Å; K796-E800 VanDerWaalsContact O-CG 3.32Å; K796-E800 WeakPolarHBondContact O-CG 3.47Å; K796-E800 PolarHBondContact O-N 2.9Å
797Q84.9Confident83.4Confident132 Ų13293.2 Ų93.262%0.61750%0.499SS*.Hα-helixtrans-61-41.6176.5-73.3175.7-9.800111.9K793 K794 E800 A801K793-Q797 WeakPolarHBondContact O-CG 3.25Å; K793-Q797 PolarHBondContact O-N 2.88Å; K794-Q797 PolarHBondContact O-N 3.15Å; Q797-E800 PolarHBondContact O-N 3.37Å; Q797-A801 VanDerWaalsContact O-CB 3.26Å; Q797-A801 WeakPolarHBondContact O-CB 3.17Å; Q797-A801 PolarHBondContact O-N 2.65Å
798M81Confident82.7Confident96 Ų9697.3 Ų97.347%0.47351%0.508SS..Hα-helixtrans-66.8-41.9178.4-170.2163.573.700111.6K794 F795 K796 A801 I802K794-M798 WeakPolarHBondContact O-CB 3.45Å; K794-M798 PolarHBondContact O-N 2.78Å; F795-M798 HydrophobicContact CD2-CE 4.43Å; F795-M798 PolarHBondContact O-N 3.36Å; K796-M798 VanDerWaalsContact C-N 3.31Å; K796-M798 PolarHBondContact O-N 3.3Å; M798-A801 PolarHBondContact O-N 2.73Å; M798-I802 HydrophobicContact CG-CD1 3.81Å; M798-I802 WeakPolarHBondContact O-CB 3.3Å; M798-I802 WeakPolarHBondContact O-CD1 3.29Å; M798-I802 WeakPolarHBondContact O-CG1 3.39Å; M798-I802 PolarHBondContact O-N 2.67Å
799T81Confident82.1Confident41 Ų41100.1 Ų100.125%0.25252%0.517SS..Hα-helixtrans-68.8-37.8176.544.10000112.5F795 K796 G803 I807F795-T799 HydrophobicContact CD1-CG2 4.02Å; F795-T799 HydrophobicContact CE1-CG2 3.6Å; F795-T799 HydrophobicContact CE2-CG2 4.33Å; F795-T799 HydrophobicContact CZ-CG2 3.77Å; F795-T799 WeakPolarHBondContact O-CB 3.21Å; F795-T799 WeakPolarHBondContact O-CG2 3.17Å; F795-T799 PolarHBondContact O-N 3.37Å; F795-T799 PolarHBondContact O-OG1 2.91Å; K796-T799 WeakPolarHBondContact CA-OG1 3.33Å; K796-T799 PolarHBondContact O-N 2.84Å; K796-T799 PolarHBondContact O-OG1 3.42Å; T799-G803 PolarHBondContact O-N 3.29Å; T799-I807 HydrophobicContact CG2-CD1 4.01Å
800E81.9Confident81.1Confident125 Ų125100.6 Ų100.658%0.58452%0.522SS*.Hα-helixtrans-63.4-42.9172-75.2173.2179.700111.8K796 Q797 G803K796-E800 WeakPolarHBondContact CE-OE1 3.38Å; K796-E800 WeakPolarHBondContact O-CB 3.25Å; K796-E800 VanDerWaalsContact O-CG 3.32Å; K796-E800 WeakPolarHBondContact O-CG 3.47Å; K796-E800 PolarHBondContact O-N 2.9Å; Q797-E800 PolarHBondContact O-N 3.37Å; E800-G803 PolarHBondContact O-N 3.23Å
801A81.1Confident80.1Confident88 Ų8899.4 Ų99.473%0.72752%0.521SS*.Hα-helixtrans-69.4-39179.800000113.4Q797 M798 G803Q797-A801 VanDerWaalsContact O-CB 3.26Å; Q797-A801 WeakPolarHBondContact O-CB 3.17Å; Q797-A801 PolarHBondContact O-N 2.65Å; M798-A801 PolarHBondContact O-N 2.73Å; A801-G803 VanDerWaalsContact C-N 3.33Å
802I78Confident79.5Confident65 Ų6595.7 Ų95.733%0.33351%0.508SS..Hα-helixtrans-69.8-35175.8-66.8166.9000110.3M798 T806 I807 L810M798-I802 HydrophobicContact CG-CD1 3.81Å; M798-I802 WeakPolarHBondContact O-CB 3.3Å; M798-I802 WeakPolarHBondContact O-CD1 3.29Å; M798-I802 WeakPolarHBondContact O-CG1 3.39Å; M798-I802 PolarHBondContact O-N 2.67Å; I802-T806 HydrophobicContact CG2-CG2 4.11Å; I802-T806 WeakPolarHBondContact O-CB 3.36Å; I802-T806 PolarHBondContact O-OG1 2.75Å; I802-I807 HydrophobicContact CB-CG1 4.28Å; I802-I807 HydrophobicContact CG2-CG1 3.64Å; I802-L810 HydrophobicContact CG2-CD1 4.49Å
803G79.8Confident78.4Confident13 Ų1393.3 Ų93.313%0.13450%0.499CS..Hα-helixtrans78.1151.6178.500000113.5T799 E800 A801 S805 T806 I807T799-G803 PolarHBondContact O-N 3.29Å; E800-G803 PolarHBondContact O-N 3.23Å; A801-G803 VanDerWaalsContact C-N 3.33Å; G803-S805 VanDerWaalsContact C-N 3.31Å; G803-S805 PolarHBondContact O-N 2.86Å; G803-T806 PolarHBondContact O-N 3.34Å; G803-I807 WeakPolarHBondContact O-CG1 3.34Å; G803-I807 PolarHBondContact O-N 2.82Å
804P80.5Confident77.3Confident115 Ų11589.1 Ų89.175%0.74749%0.487SS*.Hα-helixtrans-65.6-27.9-170.824.7-33.9000114.2R808P804-R808 PolarHBondContact O-N 3.05Å; P804-R808 VanDerWaalsContact O-N 3.15Å
805S77.2Confident76.4Confident73 Ų7385.9 Ų85.951%0.5148%0.48SS..Hα-helixtrans-67.6-48.7176.251.30000111.6G803 I807 R808 D809G803-S805 VanDerWaalsContact C-N 3.31Å; G803-S805 PolarHBondContact O-N 2.86Å; S805-I807 VanDerWaalsContact C-N 3.34Å; S805-I807 PolarHBondContact O-N 3.35Å; S805-R808 WeakPolarHBondContact O-CB 3.31Å; S805-R808 PolarHBondContact O-N 3.16Å; S805-R808 VanDerWaalsContact O-N 3.14Å; S805-D809 PolarHBondContact O-N 2.78Å
806T75.8Confident75.6Confident65 Ų6585.1 Ų85.140%0.39948%0.479SS..Hα-helixtrans-68.7-34.2-177.3-32.20000111.4I802 G803 D809 L810I802-T806 HydrophobicContact CG2-CG2 4.11Å; I802-T806 WeakPolarHBondContact O-CB 3.36Å; I802-T806 PolarHBondContact O-OG1 2.75Å; G803-T806 PolarHBondContact O-N 3.34Å; T806-D809 PolarHBondContact O-N 2.89Å; T806-L810 HydrophobicContact CG2-CD1 4.45Å; T806-L810 WeakPolarHBondContact O-CB 3.37Å; T806-L810 PolarHBondContact O-N 3.07Å
807I74Confident74.5Confident66 Ų6684.6 Ų84.634%0.33848%0.479SS..Hα-helixtrans-64.1-43.2171.7-63.2171.8000110.7T799 I802 G803 S805 D809 L810 A811T799-I807 HydrophobicContact CG2-CD1 4.01Å; I802-I807 HydrophobicContact CB-CG1 4.28Å; I802-I807 HydrophobicContact CG2-CG1 3.64Å; G803-I807 WeakPolarHBondContact O-CG1 3.34Å; G803-I807 PolarHBondContact O-N 2.82Å; S805-I807 VanDerWaalsContact C-N 3.34Å; S805-I807 PolarHBondContact O-N 3.35Å; I807-D809 VanDerWaalsContact C-N 3.33Å; I807-D809 PolarHBondContact O-N 3.25Å; I807-L810 PolarHBondContact O-N 3.19Å; I807-A811 WeakPolarHBondContact O-CB 3.44Å; I807-A811 PolarHBondContact O-N 2.86Å
808R75.1Confident73.2Confident183 Ų18381.8 Ų81.869%0.69147%0.466SS*.Hα-helixtrans-59.7-46175.4-177.5-173.2-71.5163.6-3.1110.4P804 S805 A811 V812P804-R808 PolarHBondContact O-N 3.05Å; P804-R808 VanDerWaalsContact O-N 3.15Å; S805-R808 WeakPolarHBondContact O-CB 3.31Å; S805-R808 PolarHBondContact O-N 3.16Å; S805-R808 VanDerWaalsContact O-N 3.14Å; R808-A811 PolarHBondContact O-N 2.81Å; R808-V812 HydrophobicContact CG-CG2 4.38Å; R808-V812 WeakPolarHBondContact O-CB 3.43Å; R808-V812 WeakPolarHBondContact O-CG2 3.26Å; R808-V812 PolarHBondContact O-N 3.38Å
809D76.7Confident72.2Confident106 Ų10681 Ų8157%0.56747%0.466SS*.Hα-helixtrans-65.2-42.2-179.7-63.4-19.8000111.8S805 T806 I807 V812 A813S805-D809 PolarHBondContact O-N 2.78Å; T806-D809 PolarHBondContact O-N 2.89Å; I807-D809 VanDerWaalsContact C-N 3.33Å; I807-D809 PolarHBondContact O-N 3.25Å; D809-V812 PolarHBondContact O-N 3.49Å; D809-A813 VanDerWaalsContact O-CB 3.25Å; D809-A813 WeakPolarHBondContact O-CB 3.35Å; D809-A813 PolarHBondContact O-N 2.95Å
810L71.1Confident71.3Confident115 Ų11585.6 Ų85.660%0.60248%0.483SS*.Hα-helixtrans-62.2-43.4173.2-92.9152.1000112.6I802 T806 I807 V812 A813I802-L810 HydrophobicContact CG2-CD1 4.49Å; T806-L810 HydrophobicContact CG2-CD1 4.45Å; T806-L810 WeakPolarHBondContact O-CB 3.37Å; T806-L810 PolarHBondContact O-N 3.07Å; I807-L810 PolarHBondContact O-N 3.19Å; L810-V812 VanDerWaalsContact C-N 3.3Å; L810-V812 PolarHBondContact O-N 2.96Å; L810-A813 PolarHBondContact O-N 2.77Å
811A66.7Low70.1Confident67 Ų6783.4 Ų83.455%0.55448%0.475SS*.Hα-helixtrans-68.3-30.317900000112.3I807 R808 P815I807-A811 WeakPolarHBondContact O-CB 3.44Å; I807-A811 PolarHBondContact O-N 2.86Å; R808-A811 PolarHBondContact O-N 2.81Å; A811-P815 WeakPolarHBondContact O-CD 3.46Å; A811-P815 WeakPolarHBondContact O-CG 3.19Å
812V73.4Confident68.8Low59 Ų5982.3 Ų82.336%0.35846%0.456SS..Hα-helixtrans-81.7-33.7176172.80000111.3R808 D809 L810 G814 P815 E816R808-V812 HydrophobicContact CG-CG2 4.38Å; R808-V812 WeakPolarHBondContact O-CB 3.43Å; R808-V812 WeakPolarHBondContact O-CG2 3.26Å; R808-V812 PolarHBondContact O-N 3.38Å; D809-V812 PolarHBondContact O-N 3.49Å; L810-V812 VanDerWaalsContact C-N 3.3Å; L810-V812 PolarHBondContact O-N 2.96Å; V812-G814 VanDerWaalsContact C-N 3.35Å; V812-G814 PolarHBondContact O-N 3.35Å; V812-P815 WeakPolarHBondContact O-CD 3.39Å; V812-E816 HydrophobicContact CG1-CG 3.61Å; V812-E816 WeakPolarHBondContact CG1-OE1 3.25Å; V812-E816 VanDerWaalsContact O-CB 3.27Å; V812-E816 WeakPolarHBondContact O-CB 3.4Å; V812-E816 VanDerWaalsContact O-CG 3.32Å; V812-E816 WeakPolarHBondContact O-CG 3.11Å; V812-E816 PolarHBondContact O-N 3.45Å
813A65.6Low67.9Low48 Ų4886 Ų8640%0.39747%0.473SS..Hα-helixtrans-60.7-37.4-177.200000113.9D809 L810 M817D809-A813 VanDerWaalsContact O-CB 3.25Å; D809-A813 WeakPolarHBondContact O-CB 3.35Å; D809-A813 PolarHBondContact O-N 2.95Å; L810-A813 PolarHBondContact O-N 2.77Å; A813-M817 WeakPolarHBondContact O-CB 3.32Å; A813-M817 PolarHBondContact O-N 2.83Å
814G64.9Low67Low24 Ų2489.8 Ų89.825%0.24750%0.497CS..Hα-helixtrans-63.3-61.6176.400000112.7V812 E816 M817 Q818V812-G814 VanDerWaalsContact C-N 3.35Å; V812-G814 PolarHBondContact O-N 3.35Å; G814-E816 VanDerWaalsContact C-N 3.33Å; G814-E816 PolarHBondContact O-N 3.36Å; G814-M817 PolarHBondContact O-N 3.48Å; G814-Q818 VanDerWaalsContact O-CB 3.25Å; G814-Q818 WeakPolarHBondContact O-CB 3.4Å; G814-Q818 WeakPolarHBondContact O-CG 3.32Å; G814-Q818 PolarHBondContact O-N 2.83Å
815P67Low65.9Low70 Ų7088.5 Ų88.546%0.45548%0.483SS..Hα-helixtrans-56-40.8173.8-25.433.6000113.2A811 V812 Q818 V819A811-P815 WeakPolarHBondContact O-CD 3.46Å; A811-P815 WeakPolarHBondContact O-CG 3.19Å; V812-P815 WeakPolarHBondContact O-CD 3.39Å; P815-Q818 PolarHBondContact O-N 3.4Å; P815-V819 VanDerWaalsContact O-CB 3.26Å; P815-V819 WeakPolarHBondContact O-CB 3.39Å; P815-V819 WeakPolarHBondContact O-CG2 3.4Å; P815-V819 PolarHBondContact O-N 2.92Å
816E65.6Low64.8Low114 Ų11487.8 Ų87.853%0.53349%0.488SS..Hα-helixtrans-66-44.3178.5-79.9-172.3170.600112.9V812 G814 Q818 K820V812-E816 HydrophobicContact CG1-CG 3.61Å; V812-E816 WeakPolarHBondContact CG1-OE1 3.25Å; V812-E816 VanDerWaalsContact O-CB 3.27Å; V812-E816 WeakPolarHBondContact O-CB 3.4Å; V812-E816 VanDerWaalsContact O-CG 3.32Å; V812-E816 WeakPolarHBondContact O-CG 3.11Å; V812-E816 PolarHBondContact O-N 3.45Å; G814-E816 VanDerWaalsContact C-N 3.33Å; G814-E816 PolarHBondContact O-N 3.36Å; E816-Q818 VanDerWaalsContact C-N 3.34Å; E816-K820 WeakPolarHBondContact O-CB 3.37Å; E816-K820 WeakPolarHBondContact O-CG 3.22Å; E816-K820 PolarHBondContact O-N 2.86Å
817M63.4Low63.4Low112 Ų11289.5 Ų89.555%0.55249%0.494SS*.Hα-helixtrans-66.4-39.2175.7-179.1-178.354.100110.9A813 G814 K820 L821A813-M817 WeakPolarHBondContact O-CB 3.32Å; A813-M817 PolarHBondContact O-N 2.83Å; G814-M817 PolarHBondContact O-N 3.48Å; M817-K820 CarbonylContact O-C 3.52Å; M817-K820 WeakPolarHBondContact O-CB 3Å; M817-K820 PolarHBondContact O-N 3.47Å; M817-L821 HydrophobicContact CG-CD1 4.12Å; M817-L821 WeakPolarHBondContact O-CB 3.4Å; M817-L821 PolarHBondContact O-N 2.76Å
818Q58.3Low61.9Low73 Ų7396.2 Ų96.234%0.34152%0.52SS..Hα-helixtrans-69.4-39.4177.6-74.8169.2-6.200112.5G814 P815 E816 L821 L822 F842G814-Q818 VanDerWaalsContact O-CB 3.25Å; G814-Q818 WeakPolarHBondContact O-CB 3.4Å; G814-Q818 WeakPolarHBondContact O-CG 3.32Å; G814-Q818 PolarHBondContact O-N 2.83Å; P815-Q818 PolarHBondContact O-N 3.4Å; E816-Q818 VanDerWaalsContact C-N 3.34Å; Q818-L821 PolarHBondContact O-N 3.4Å; Q818-L822 WeakPolarHBondContact O-CB 3.35Å; Q818-L822 WeakPolarHBondContact O-CG 3.27Å; Q818-L822 PolarHBondContact O-N 2.79Å; Q818-F842 HydrophobicContact CB-CE1 3.99Å; Q818-F842 VanDerWaalsContact CD-CE1 3.41Å; Q818-F842 HydrophobicContact CG-CD1 4.45Å; Q818-F842 HydrophobicContact CG-CE1 3.96Å
819V60Low60.4Low78 Ų7890.9 Ų90.947%0.47351%0.511SS..Hα-helixtrans-63.8-42.3170.7167.90000110.1P815 L822 Q823P815-V819 VanDerWaalsContact O-CB 3.26Å; P815-V819 WeakPolarHBondContact O-CB 3.39Å; P815-V819 WeakPolarHBondContact O-CG2 3.4Å; P815-V819 PolarHBondContact O-N 2.92Å; V819-L822 PolarHBondContact O-N 3.38Å; V819-Q823 WeakPolarHBondContact O-CB 3.38Å; V819-Q823 VanDerWaalsContact O-CG 3.31Å; V819-Q823 WeakPolarHBondContact O-CG 3.15Å; V819-Q823 PolarHBondContact O-N 2.87Å
820K61.9Low58.8Low138 Ų13892.7 Ų92.760%0.653%0.526SS*.Hα-helixtrans-62.2-40.3172.3-83.7174.9176.7168.10112.4E816 M817 Q823 S824E816-K820 WeakPolarHBondContact O-CB 3.37Å; E816-K820 WeakPolarHBondContact O-CG 3.22Å; E816-K820 PolarHBondContact O-N 2.86Å; M817-K820 CarbonylContact O-C 3.52Å; M817-K820 WeakPolarHBondContact O-CB 3Å; M817-K820 PolarHBondContact O-N 3.47Å; K820-Q823 PolarHBondContact O-N 3.36Å; K820-S824 VanDerWaalsContact O-CB 3.29Å; K820-S824 WeakPolarHBondContact O-CB 3.15Å; K820-S824 PolarHBondContact O-N 2.77Å; K820-S824 PolarHBondContact O-OG 2.86Å
821L56.2Low57.5Low79 Ų7991.7 Ų91.741%0.41452%0.521SS..Hα-helixtrans-64.5-47.3176.2-95.3153.3000111.3M817 Q818 Q823 S824 L825M817-L821 HydrophobicContact CG-CD1 4.12Å; M817-L821 WeakPolarHBondContact O-CB 3.4Å; M817-L821 PolarHBondContact O-N 2.76Å; Q818-L821 PolarHBondContact O-N 3.4Å; L821-Q823 VanDerWaalsContact C-N 3.33Å; L821-Q823 PolarHBondContact O-N 3.35Å; L821-S824 VanDerWaalsContact CA-OG 3.3Å; L821-S824 WeakPolarHBondContact CA-OG 3.39Å; L821-S824 PolarHBondContact O-N 3.26Å; L821-S824 VanDerWaalsContact O-N 3.16Å; L821-S824 PolarHBondContact O-OG 3.45Å; L821-L825 WeakPolarHBondContact O-CB 3.26Å; L821-L825 WeakPolarHBondContact O-CG 2.96Å; L821-L825 PolarHBondContact O-N 2.75Å
822L53.2Low56.5Low65 Ų6596.4 Ų96.434%0.3454%0.535SS..Hα-helixtrans-61.7-38.6174.4-73.5165.9000112.1Q818 V819 L827Q818-L822 WeakPolarHBondContact O-CB 3.35Å; Q818-L822 WeakPolarHBondContact O-CG 3.27Å; Q818-L822 PolarHBondContact O-N 2.79Å; V819-L822 PolarHBondContact O-N 3.38Å; L822-L827 HydrophobicContact CD2-CD1 4.27Å; L822-L827 PolarHBondContact O-N 3.45Å
823Q58.7Low55.4Low144 Ų14497.2 Ų97.267%0.67354%0.54SS*.Hα-helixtrans-65.1-42171.7-78.4178.7-5.700112.1V819 K820 L821 G826V819-Q823 WeakPolarHBondContact O-CB 3.38Å; V819-Q823 VanDerWaalsContact O-CG 3.31Å; V819-Q823 WeakPolarHBondContact O-CG 3.15Å; V819-Q823 PolarHBondContact O-N 2.87Å; K820-Q823 PolarHBondContact O-N 3.36Å; L821-Q823 VanDerWaalsContact C-N 3.33Å; L821-Q823 PolarHBondContact O-N 3.35Å; Q823-G826 PolarHBondContact O-N 3.16Å; Q823-G826 VanDerWaalsContact O-N 3.14Å
824S61Low54.6Low92 Ų92100.9 Ų100.964%0.64355%0.553SS**Hα-helixtrans-71.8-28.9179.870.60000113.5K820 L821 G826K820-S824 VanDerWaalsContact O-CB 3.29Å; K820-S824 WeakPolarHBondContact O-CB 3.15Å; K820-S824 PolarHBondContact O-N 2.77Å; K820-S824 PolarHBondContact O-OG 2.86Å; L821-S824 VanDerWaalsContact CA-OG 3.3Å; L821-S824 WeakPolarHBondContact CA-OG 3.39Å; L821-S824 PolarHBondContact O-N 3.26Å; L821-S824 VanDerWaalsContact O-N 3.16Å; L821-S824 PolarHBondContact O-OG 3.45Å; S824-G826 PolarHBondContact O-N 3.29Å
825L58.9Low54.2Low87 Ų87103.8 Ų103.846%0.45558%0.583SS.*THydrogen-bonded Turntrans-75.5-0.2171-73.7165000112.4L821 L827L821-L825 WeakPolarHBondContact O-CB 3.26Å; L821-L825 WeakPolarHBondContact O-CG 2.96Å; L821-L825 PolarHBondContact O-N 2.75Å; L825-L827 HydrophobicContact CB-CD1 4.26Å; L825-L827 HydrophobicContact CB-CG 4.39Å; L825-L827 PolarHBondContact O-N 2.83Å; L825-L827 VanDerWaalsContact O-N 3.16Å
826G53.1Low53.8Low59 Ų59104.8 Ų104.861%0.60859%0.592SS**THydrogen-bonded Turntrans67.414.2174.600000114.7Q823 S824 K828Q823-G826 PolarHBondContact O-N 3.16Å; Q823-G826 VanDerWaalsContact O-N 3.14Å; S824-G826 PolarHBondContact O-N 3.29Å; G826-K828 PolarHBondContact O-N 3.32Å
827L46.4Very low53Low100 Ų100103.7 Ų103.752%0.52459%0.593SS.*  trans-78.486.3-177.4-70.8167.8000110.6L822 L825 S829L822-L827 HydrophobicContact CD2-CD1 4.27Å; L822-L827 PolarHBondContact O-N 3.45Å; L825-L827 HydrophobicContact CB-CD1 4.26Å; L825-L827 HydrophobicContact CB-CG 4.39Å; L825-L827 PolarHBondContact O-N 2.83Å; L825-L827 VanDerWaalsContact O-N 3.16Å; L827-S829 PolarHBondContact O-N 2.87Å
828K43.5Very low52.4Low208 Ų208104.2 Ų104.290%0.90461%0.605SS**  trans-83.956.5160.8-67-177.3-179.3177.90110.1G826G826-K828 PolarHBondContact O-N 3.32Å
829S42Very low52.2Low70 Ų70106.1 Ų106.149%0.4962%0.616SS.*  trans-106.4106.5177.460.20000110.4L827 L831L827-S829 PolarHBondContact O-N 2.87Å; S829-L831 PolarHBondContact O-N 3.14Å
830T43.6Very low51.9Low144 Ų144107.1 Ų107.188%0.88362%0.619SS**  trans-62.2109.6164.3130000108.8
831L43.9Very low51.6Low94 Ų94104 Ų10449%0.49261%0.608SS.*  trans-103117.4177-97.2152.8000109.9S829 L841S829-L831 PolarHBondContact O-N 3.14Å; L831-L841 HydrophobicContact CD1-CD1 3.5Å; L831-L841 VanDerWaalsContact CD1-CD1 3.5Å; L831-L841 HydrophobicContact CD1-CD2 3.69Å; L831-L841 HydrophobicContact CD1-CG 4.21Å
832I46.7Very low51.2Low166 Ų166104.7 Ų104.785%0.85161%0.608SS**  trans-89.6110.8176.5-59.6167.5000106.4
833T49.1Very low51.1Low77 Ų77107.2 Ų107.247%0.47262%0.622SS.*  trans-104129.7175.157.20000109.5G835T833-G835 PolarHBondContact O-N 3.4Å
834D50.1Low50.8Low125 Ų125104.1 Ų104.167%0.66861%0.613SS**  trans-60.9123.2159.2-179.3-29.2000107S836 T837D834-S836 PolarHBondContact O-N 2.97Å; D834-S836 PolarHBondContact OD1-OG 3.25Å; D834-T837 PolarHBondContact O-N 2.9Å
835G56.1Low50.4Low85 Ų85101.1 Ų101.188%0.87659%0.594SS**THydrogen-bonded Turntrans-61.57.4-165.200000116.9T833T833-G835 PolarHBondContact O-N 3.4Å
836S59Low49.9Very low90 Ų90102.7 Ų102.763%0.62960%0.597SS**THydrogen-bonded Turntrans-99.8-20.6-178.448.90000114.3D834D834-S836 PolarHBondContact O-N 2.97Å; D834-S836 PolarHBondContact OD1-OG 3.25Å
837T47.5Very low49.8Very low92 Ų92102.4 Ų102.456%0.56460%0.595SS**  trans-137.7101.1-179.652.40000112.2D834 I839D834-T837 PolarHBondContact O-N 2.9Å; T837-I839 PolarHBondContact O-N 3.45Å
838P51.8Low49.9Very low123 Ų123104.9 Ų104.980%0.79961%0.608SS**  trans-69.1114172.926.3-30.4000109.7N840P838-N840 PolarHBondContact O-N 3.32Å
839I54.5Low50.5Low112 Ų112100.1 Ų100.157%0.57459%0.591SS**  trans-71.1115.3171.6-62.8175000107.6T837 L841T837-I839 PolarHBondContact O-N 3.45Å; I839-L841 HydrophobicContact CG2-CD2 4.17Å; I839-L841 PolarHBondContact O-N 3.49Å
840N53.6Low50.7Low100 Ų100100 Ų10054%0.53560%0.601SS.*  trans-76.684.3-176-157.5-6.9000110.4P838 F842 N843P838-N840 PolarHBondContact O-N 3.32Å; N840-F842 PolarHBondContact O-N 3.31Å; N840-F842 VanDerWaalsContact OD1-CD2 3.28Å; N840-F842 WeakPolarHBondContact OD1-CD2 3.19Å; N840-N843 PolarHBondContact O-N 2.81Å
841L54.1Low50.8Low72 Ų72100.3 Ų100.338%0.37759%0.594SS.*Hα-helixtrans-64-9.3-177.6-62.6170.9000114.2L831 I839 T844 A845L831-L841 HydrophobicContact CD1-CD1 3.5Å; L831-L841 VanDerWaalsContact CD1-CD1 3.5Å; L831-L841 HydrophobicContact CD1-CD2 3.69Å; L831-L841 HydrophobicContact CD1-CG 4.21Å; I839-L841 HydrophobicContact CG2-CD2 4.17Å; I839-L841 PolarHBondContact O-N 3.49Å; L841-T844 VanDerWaalsContact CA-OG1 3.26Å; L841-T844 WeakPolarHBondContact CA-OG1 3.38Å; L841-T844 PolarHBondContact O-N 2.95Å; L841-T844 PolarHBondContact O-OG1 3.39Å; L841-A845 PolarHBondContact O-N 2.91Å
842F49Very low50.7Low94 Ų9497.8 Ų97.841%0.41259%0.591SS.*Hα-helixtrans-69.1-40.1178.4-65.7-76.1000111.8Q818 N840 T844 A845 F846Q818-F842 HydrophobicContact CB-CE1 3.99Å; Q818-F842 VanDerWaalsContact CD-CE1 3.41Å; Q818-F842 HydrophobicContact CG-CD1 4.45Å; Q818-F842 HydrophobicContact CG-CE1 3.96Å; N840-F842 PolarHBondContact O-N 3.31Å; N840-F842 VanDerWaalsContact OD1-CD2 3.28Å; N840-F842 WeakPolarHBondContact OD1-CD2 3.19Å; F842-T844 VanDerWaalsContact C-N 3.31Å; F842-T844 PolarHBondContact O-N 3.41Å; F842-A845 PolarHBondContact O-N 3.49Å; F842-F846 VanDerWaalsContact O-CD2 3.26Å; F842-F846 WeakPolarHBondContact O-CD2 3.16Å; F842-F846 PolarHBondContact O-N 2.94Å
843N51.3Low50.4Low117 Ų11796.1 Ų96.163%0.62659%0.591SS**Hα-helixtrans-69.9-29177.2-77.2-6.4000112.6N840 F846 G847N840-N843 PolarHBondContact O-N 2.81Å; N843-F846 PolarHBondContact O-N 3.4Å; N843-G847 PolarHBondContact O-N 2.72Å
844T52.5Low49.6Very low80 Ų80101.9 Ų101.949%0.49161%0.613SS.*Hα-helixtrans-68.2-35.1175.736.70000112.7L841 F842 G847 L848L841-T844 VanDerWaalsContact CA-OG1 3.26Å; L841-T844 WeakPolarHBondContact CA-OG1 3.38Å; L841-T844 PolarHBondContact O-N 2.95Å; L841-T844 PolarHBondContact O-OG1 3.39Å; F842-T844 VanDerWaalsContact C-N 3.31Å; F842-T844 PolarHBondContact O-N 3.41Å; T844-G847 PolarHBondContact O-N 2.88Å; T844-L848 PolarHBondContact O-N 2.9Å; T844-L848 VanDerWaalsContact O-N 3.11Å
845A51.1Low48.7Very low29 Ų2999.3 Ų99.324%0.2462%0.616CS.*Hα-helixtrans-67.4-39.6175.700000112.1L841 F842 L848 L849L841-A845 PolarHBondContact O-N 2.91Å; F842-A845 PolarHBondContact O-N 3.49Å; A845-L848 PolarHBondContact O-N 3.42Å; A845-L849 PolarHBondContact O-N 3.49Å
846F49.2Very low47.4Very low119 Ų119104 Ų10452%0.52262%0.615SS.*Hα-helixtrans-68.3-34.2175-77.6-71.5000113F842 N843 M851F842-F846 VanDerWaalsContact O-CD2 3.26Å; F842-F846 WeakPolarHBondContact O-CD2 3.16Å; F842-F846 PolarHBondContact O-N 2.94Å; N843-F846 PolarHBondContact O-N 3.4Å; F846-M851 PolarHBondContact O-N 3.32Å
847G51.5Low46Very low54 Ų54105.4 Ų105.456%0.55762%0.622SS**Hα-helixtrans-66.4-38.1173.500000113.5N843 T844 L849 G850N843-G847 PolarHBondContact O-N 2.72Å; T844-G847 PolarHBondContact O-N 2.88Å; G847-L849 VanDerWaalsContact C-N 3.34Å; G847-L849 PolarHBondContact O-N 2.85Å; G847-G850 PolarHBondContact O-N 2.93Å
848L48.3Very low45Very low152 Ų152109.3 Ų109.380%0.79664%0.639SS**Hα-helixtrans-69.2-29.6177.8-85.4157.9000113.4T844 A845 G850T844-L848 PolarHBondContact O-N 2.9Å; T844-L848 VanDerWaalsContact O-N 3.11Å; A845-L848 PolarHBondContact O-N 3.42Å; L848-G850 VanDerWaalsContact C-N 3.3Å
849L54.9Low43.9Very low107 Ų107106.8 Ų106.856%0.5664%0.635SS**THydrogen-bonded Turntrans-84.80.1177.4-72.7165.7000113.3A845 G847 M851A845-L849 PolarHBondContact O-N 3.49Å; G847-L849 VanDerWaalsContact C-N 3.34Å; G847-L849 PolarHBondContact O-N 2.85Å; L849-M851 PolarHBondContact O-N 3.42Å; L849-M851 VanDerWaalsContact O-N 3.14Å
850G46.7Very low42.5Very low68 Ų68112.3 Ų112.370%0.70165%0.649SS**THydrogen-bonded Turntrans66.111.7-179.700000114.5G847 L848 G852G847-G850 PolarHBondContact O-N 2.93Å; L848-G850 VanDerWaalsContact C-N 3.3Å; G850-G852 VanDerWaalsContact C-N 3.33Å
851M47.1Very low41.2Very low150 Ų150118.9 Ų118.974%0.73967%0.666SS**  trans-99.433.6179.1-60.3-174.489.200111.7F846 L849F846-M851 PolarHBondContact O-N 3.32Å; L849-M851 PolarHBondContact O-N 3.42Å; L849-M851 VanDerWaalsContact O-N 3.14Å
852G40.2Very low39.9Very low41 Ų41122.1 Ų122.142%0.42369%0.688SS.*  trans-74141.1172.800000110.6G850 E854G850-G852 VanDerWaalsContact C-N 3.33Å; G852-E854 PolarHBondContact O-N 2.85Å
853P40.6Very low38.9Very low132 Ų132121.3 Ų121.386%0.85770%0.699SS**  trans-64.1112.6-175.624.4-31.5000110.8G855P853-G855 PolarHBondContact O-N 3.48Å
854E33.6Very low37.7Very low197 Ų197121.1 Ų121.192%0.92171%0.707SS**  trans-59.7124.8163.5-72.9-171.1149.700109.1G852G852-E854 PolarHBondContact O-N 2.85Å
855G30.1Very low36.4Very low72 Ų72120.2 Ų120.274%0.74271%0.713SS**  trans69.365.9155.600000116.3P853P853-G855 PolarHBondContact O-N 3.48Å
856Q28Very low35.3Very low184 Ų184124.8 Ų124.886%0.8674%0.741SS**  trans-104.1124.9136.7-84.5-179.2-1.800108.2L858Q856-L858 PolarHBondContact O-N 3.37Å
857P29.9Very low34.3Very low119 Ų119124.3 Ų124.377%0.77375%0.752SS**  trans-56.9144.1-174.824.8-32.3000108.1G859P857-G859 PolarHBondContact O-N 3.32Å
858L26.3Very low33.3Very low173 Ų173128.3 Ų128.391%0.90677%0.768SS**  trans-4691.4164.6-82111.6000108.1Q856 R860Q856-L858 PolarHBondContact O-N 3.37Å; L858-R860 PolarHBondContact O-N 2.92Å
859G28.7Very low32.2Very low71 Ų71124.1 Ų124.173%0.73276%0.762SS**  trans-60.195.1163.400000102.8P857 R861P857-G859 PolarHBondContact O-N 3.32Å; G859-R861 PolarHBondContact O-N 2.89Å
860R26.5Very low30.9Very low228 Ų228127.6 Ų127.686%0.8678%0.775SS**  trans-31.1119.3170.4-91.2171.8163.1163.8-5.4105.7L858 V862L858-R860 PolarHBondContact O-N 2.92Å; R860-V862 PolarHBondContact O-N 2.9Å
861R25.2Very low30Very low238 Ų238128.2 Ų128.290%0.89878%0.782SS**  trans-36.6101.3159.9-77.5174176.5168.1-2.2105.4G859 A863G859-R861 PolarHBondContact O-N 2.89Å; R861-A863 PolarHBondContact O-N 3.41Å
862V27.4Very low29.1Very low139 Ų139128 Ų12884%0.84278%0.782SS**  trans-61.794154.5176000099.6R860 S864R860-V862 PolarHBondContact O-N 2.9Å; V862-S864 VanDerWaalsContact C-N 3.32Å; V862-S864 PolarHBondContact O-N 2.77Å
863A27.5Very low28.6Very low77 Ų77131 Ų13164%0.63680%0.797SS**  trans-47.1114.4169.600000103.2R861 G865R861-A863 PolarHBondContact O-N 3.41Å; A863-G865 VanDerWaalsContact C-N 3.29Å; A863-G865 PolarHBondContact O-N 3.02Å
864S27.6Very low28.1Very low114 Ų114130.9 Ų130.980%0.79780%0.796SS**  trans-35.5106.6159.344.20000105.9V862V862-S864 VanDerWaalsContact C-N 3.32Å; V862-S864 PolarHBondContact O-N 2.77Å
865G24.6Very low27.8Very low60 Ų60130.2 Ų130.262%0.61979%0.793SS**PPolyproline II helixtrans-50.4140179.100000107.6A863 S867A863-G865 VanDerWaalsContact C-N 3.29Å; A863-G865 PolarHBondContact O-N 3.02Å; G865-S867 PolarHBondContact O-N 2.7Å
866P28.2Very low27.7Very low126 Ų126131.8 Ų131.882%0.81879%0.792SS**PPolyproline II helixtrans-56.4130.8-176.224.1-31.5000108.5
867S28Very low27.8Very low109 Ų109128 Ų12876%0.76279%0.792SS**PPolyproline II helixtrans-47.6129.5167.5-18.30000108.6G865 G869G865-S867 PolarHBondContact O-N 2.7Å; S867-G869 PolarHBondContact O-N 3.26Å
868P29.9Very low27.6Very low138 Ų138131.2 Ų131.290%0.89680%0.797SS**SBendtrans-74.696.3178.929.4-30.8000108.2
869G25.8Very low27.9Very low64 Ų64127.3 Ų127.366%0.6679%0.789SS**  trans-156.471.2-179.200000109.8S867S867-G869 PolarHBondContact O-N 3.26Å
870E28.2Very low28Very low180 Ų180130 Ų13084%0.84179%0.794SS**  trans-170.798147.7-107.6167.8-167.900108.1
871G25.8Very low28.1Very low81 Ų81128.3 Ų128.384%0.83580%0.796SS**  trans-72.5122.315900000108.5
872I29.3Very low28.4Very low145 Ų145121.2 Ų121.274%0.74479%0.788SS**  trans-139.6100.9158.1-57.8-179.1000107.6
873S29.3Very low28.7Very low104 Ų104120.8 Ų120.873%0.72779%0.788SS**  trans25.9140.4140.7-480000121.3Q875S873-Q875 PolarHBondContact O-N 3.18Å
874P30.4Very low28.8Very low130 Ų130120.6 Ų120.684%0.84479%0.794SS**  trans-72.9122.1-174.931-33.3000111.4S876P874-S876 PolarHBondContact O-N 3.31Å
875Q26.7Very low28.8Very low183 Ų183121.9 Ų121.986%0.85579%0.792SS**  trans-77.1103.2163.1-77.8-176-6.400108.9S873 A877S873-Q875 PolarHBondContact O-N 3.18Å; Q875-A877 PolarHBondContact O-N 3.4Å; Q875-A877 VanDerWaalsContact O-N 3.13Å
876S28.6Very low29.2Very low105 Ų105126.8 Ų126.873%0.73480%0.804SS**  trans-095.4142.252.40000115.1P874 Q878P874-S876 PolarHBondContact O-N 3.31Å; S876-Q878 PolarHBondContact O-N 2.97Å
877A29.4Very low29.3Very low103 Ų103128.4 Ų128.485%0.85180%0.8SS**PPolyproline II helixtrans-66.8120.6158.400000108Q875Q875-A877 PolarHBondContact O-N 3.4Å; Q875-A877 VanDerWaalsContact O-N 3.13Å
878Q26.9Very low29.5Very low188 Ų188129.9 Ų129.988%0.87980%0.804SS**PPolyproline II helixtrans-57.5132.6-178.1-73.2164.9-40.200111.4S876S876-Q878 PolarHBondContact O-N 2.97Å
879A31.6Very low29.6Very low90 Ų90128.6 Ų128.674%0.74479%0.794SS**PPolyproline II helixtrans-61.7138.3167.400000110.2
880P31.7Very low29.9Very low128 Ų128130.6 Ų130.683%0.83180%0.795SS**PPolyproline II helixtrans-67.9132.9-178.625.1-31.2000111.6
881Q27.7Very low30.1Very low192 Ų192128.9 Ų128.990%0.89780%0.797SS**PPolyproline II helixtrans-60.9132.3173-75171.2-2200110.9
882A30.9Very low30.1Very low90 Ų90132.8 Ų132.874%0.74480%0.798SS**PPolyproline II helixtrans-65.3138.3168.200000110.6
883P34.7Very low30.4Very low129 Ų129140.8 Ų140.884%0.83882%0.818SS**PPolyproline II helixtrans-72.7134.2171.829.3-30.4000110
884G30Very low30.5Very low73 Ų73142.7 Ų142.775%0.75382%0.823SS**PPolyproline II helixtrans-69.7159.1-17000000116N886G884-N886 PolarHBondContact O-N 3.44Å
885D27.4Very low30.5Very low141 Ų141143.3 Ų143.375%0.75482%0.822SS**  trans-40.3121.7163-65.7-53.1000113.2
886N32.3Very low30.7Very low163 Ų163141.1 Ų141.187%0.87282%0.82SS**  trans-101.788.7149-96.6-19.1000108G884 V888G884-N886 PolarHBondContact O-N 3.44Å; N886-V888 PolarHBondContact O-N 3.14Å
887H30.1Very low30.8Very low160 Ų160143.2 Ų143.274%0.74183%0.825SS**  trans-50.6111.7159.1-88.1-70.1000110.4
888V32.2Very low30.9Very low140 Ų140145.8 Ų145.885%0.84882%0.823SS**  trans-93.4111.5154.1179.40000107N886N886-V888 PolarHBondContact O-N 3.14Å
889V32.6Very low31.1Very low111 Ų111142.9 Ų142.967%0.67382%0.82SS**  trans-65.4137.5-179.8178.20000110.2
890P32Very low31.1Very low107 Ų107146.7 Ų146.770%0.69583%0.825SS**  trans-79.2126.2177.531.5-31.3000110.4L892P890-L892 PolarHBondContact O-N 3.15Å
891V32.9Very low31.1Very low144 Ų144148.2 Ų148.287%0.87383%0.825SS**  trans-8299.21711790000108
892L26.4Very low31.4Very low163 Ų163144.5 Ų144.585%0.85382%0.819SS**  trans-89.2104.5159-93.4156.2000108.5P890P890-L892 PolarHBondContact O-N 3.15Å
893R34.8Very low31.4Very low313 Ų313149.5 Ų149.5100%1.18183%0.825SS**  trans-1470141-103.5-167.1-177.5-176.31.7109.3

Retrieved 893 of 893 residues in 366 ms (Link to these results)

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