A0A096NNX7_PAPAN Loading...

ArfGAP with FG repeats 2

AlphaFold DB (A0A5S6R983), UniProt , Accession A0A096NNX7, Species PAPAN (Papio anubis, Olive baboon), Gene AGFG2, Length 479 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
1M48Very low52Low248 Ų248144.6 Ų144.6100%1.22287%0.865SS**  01240-125.5165.1-179.500107.3
2V44.2Very low52.1Low147 Ų147139.1 Ų139.189%0.89186%0.86SS**  trans-101128.1-174.81800000109.6
3M46.5Very low52.3Low184 Ų184133.5 Ų133.591%0.90685%0.847SS**  trans-75.4124.3176.1-73.4-65.7-161.200110.7A5M3-A5 PolarHBondContact O-N 3.39Å
4A49.3Very low52.2Low99 Ų99129.5 Ų129.582%0.81884%0.843SS**  trans-80.7111.1175.900000110.9K6A4-K6 PolarHBondContact O-N 2.96Å
5A55.8Low52.4Low99 Ų99129.9 Ų129.982%0.81884%0.842SS**  trans-70.3109.4175.900000111M3 K7M3-A5 PolarHBondContact O-N 3.39Å; A5-K7 PolarHBondContact O-N 3.26Å
6K58.4Low52.6Low207 Ų207127.6 Ų127.690%0.983%0.83SS**  trans-71.993.2-179.5-172.3174.5-179.1177.10111A4 G8A4-K6 PolarHBondContact O-N 2.96Å; K6-G8 PolarHBondContact O-N 2.92Å
7K56.9Low53.1Low205 Ų205122.7 Ų122.789%0.89181%0.808SS**PPolyproline II helixtrans-58118.1177-170.4173.5-176.5176.20110.6A5A5-K7 PolarHBondContact O-N 3.26Å
8G54.3Low54.1Low56 Ų56118.4 Ų118.458%0.57779%0.789SS**PPolyproline II helixtrans-73161.4178.800000113.3K6K6-G8 PolarHBondContact O-N 2.92Å
9P55.6Low55.2Low137 Ų137119.9 Ų119.989%0.8978%0.781SS**PPolyproline II helixtrans-66134.3174.4-16.130.7000111.2
10G48.9Very low56.4Low64 Ų64117 Ų11766%0.6677%0.767SS**PPolyproline II helixtrans-81.8153.117100000112G12G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 3.18Å
11P54.3Low57.6Low145 Ų145118.3 Ų118.394%0.94276%0.763SS**  trans-76.776.1179.532.5-35.8000111.8
12G52.8Low59.1Low78 Ų78109.5 Ų109.580%0.80473%0.729SS**  trans-104105.6175.900000112.4G10G10-G12 VanDerWaalsContact C-N 3.31Å; G10-G12 PolarHBondContact O-N 3.18Å
13G54.6Low61.1Low67 Ų67108.3 Ų108.369%0.69171%0.714SS**  trans166.623.1176.900000118.2
14G50.9Low63Low77 Ų77102.4 Ų102.479%0.79470%0.695SS**  trans-92.9-1.3-168.400000118.2
15V55.2Low64.8Low136 Ų13699.7 Ų99.782%0.82467%0.672SS**SBendtrans-107.2-23.8-165-174.40000113.9
16S56Low66.3Low93 Ų9396.1 Ų96.165%0.6564%0.641SS**Hα-helixtrans-76.5-38.1-179.945.70000113.4K19 A20S16-K19 PolarHBondContact O-N 2.65Å; S16-A20 PolarHBondContact O-N 3.39Å
17G60.3Low67.9Low44 Ų4491.6 Ų91.645%0.45462%0.623SS.*Hα-helixtrans-59.8-54.5-175.800000113.2K19 A20 E21G17-K19 PolarHBondContact O-N 2.99Å; G17-K19 VanDerWaalsContact O-N 3.13Å; G17-A20 PolarHBondContact O-N 3.28Å; G17-E21 PolarHBondContact O-N 3.4Å
18G71.9Confident69.6Low45 Ų4586 Ų8646%0.46461%0.606SS.*Hα-helixtrans-61.3-24.6-177.300000114.5A22G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.26Å; G18-A22 PolarHBondContact O-N 3.43Å; G18-A22 VanDerWaalsContact O-N 3.09Å
19K74.6Confident71.5Confident147 Ų14786.2 Ų86.264%0.63959%0.589SS**Hα-helixtrans-70.6-48.3172.4-171.1-169.3171.1-165.70111.2S16 G17 E21 A22 E23S16-K19 PolarHBondContact O-N 2.65Å; G17-K19 PolarHBondContact O-N 2.99Å; G17-K19 VanDerWaalsContact O-N 3.13Å; K19-E21 VanDerWaalsContact C-N 3.33Å; K19-A22 PolarHBondContact O-N 3.2Å; K19-E23 WeakPolarHBondContact O-CB 3.37Å; K19-E23 PolarHBondContact O-N 2.86Å
20A78.6Confident73.2Confident62 Ų6280.6 Ų80.651%0.51255%0.553SS.*Hα-helixtrans-65.7-37.8179.700000111.9S16 G17 E23 A24S16-A20 PolarHBondContact O-N 3.39Å; G17-A20 PolarHBondContact O-N 3.28Å; A20-E23 PolarHBondContact O-N 3.05Å; A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 2.66Å
21E82.3Confident75.3Confident145 Ų14584.3 Ų84.368%0.67855%0.548SS*.Hα-helixtrans-63.9-46.1174.8-171.1178.9170.600112G17 K19 E23 A24 A25G17-E21 PolarHBondContact O-N 3.4Å; K19-E21 VanDerWaalsContact C-N 3.33Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.07Å; E21-A24 PolarHBondContact O-N 2.9Å; E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.15Å
22A80.8Confident77.2Confident62 Ų6282.2 Ų82.251%0.51252%0.521SS..Hα-helixtrans-64.4-34.9175.300000112.9G18 K19 S26G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.26Å; G18-A22 PolarHBondContact O-N 3.43Å; G18-A22 VanDerWaalsContact O-N 3.09Å; K19-A22 PolarHBondContact O-N 3.2Å; A22-S26 WeakPolarHBondContact O-CB 3.34Å; A22-S26 PolarHBondContact O-N 2.89Å
23E84.4Confident79.2Confident123 Ų12378.5 Ų78.558%0.57548%0.482SS*.Hα-helixtrans-66.5-47.6175.8-166167.2154.300111K19 A20 E21 A25 S26 E27K19-E23 WeakPolarHBondContact O-CB 3.37Å; K19-E23 PolarHBondContact O-N 2.86Å; A20-E23 PolarHBondContact O-N 3.05Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 3.07Å; E23-A25 PolarHBondContact O-N 2.71Å; E23-S26 WeakPolarHBondContact O-CB 3.49Å; E23-S26 PolarHBondContact O-N 3.31Å; E23-S26 VanDerWaalsContact O-N 3.11Å; E23-S26 PolarHBondContact O-OG 2.64Å; E23-E27 PolarHBondContact O-N 2.84Å
24A86.3Confident81Confident60 Ų6081.5 Ų81.550%0.49647%0.473SS..Hα-helixtrans-61.5-42.8174.600000112.7A20 E21 S26 E27 V28A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 2.66Å; E21-A24 PolarHBondContact O-N 2.9Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.27Å; A24-E27 WeakPolarHBondContact O-CB 3.31Å; A24-E27 PolarHBondContact O-N 3.44Å; A24-E27 VanDerWaalsContact O-N 3.15Å; A24-V28 PolarHBondContact O-N 3.05Å
25A87.8Confident83Confident41 Ų4182.3 Ų82.334%0.33946%0.456SS..Hα-helixtrans-59.7-39.1173.300000111.6E21 E23 E27 V28 W29E21-A25 WeakPolarHBondContact O-CB 3.33Å; E21-A25 PolarHBondContact O-N 3.15Å; E23-A25 PolarHBondContact O-N 2.71Å; A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.86Å; A25-V28 WeakPolarHBondContact O-CB 3.42Å; A25-V28 PolarHBondContact O-N 3.35Å; A25-W29 PolarHBondContact O-N 2.68Å; A25-W29 VanDerWaalsContact O-N 3.08Å
26S88.2Confident84.8Confident25 Ų2577 Ų7718%0.17542%0.423CS..Hα-helixtrans-64-31.3176.286.20000113.4A22 E23 A24 W29 C30A22-S26 WeakPolarHBondContact O-CB 3.34Å; A22-S26 PolarHBondContact O-N 2.89Å; E23-S26 WeakPolarHBondContact O-CB 3.49Å; E23-S26 PolarHBondContact O-N 3.31Å; E23-S26 VanDerWaalsContact O-N 3.11Å; E23-S26 PolarHBondContact O-OG 2.64Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.27Å; S26-W29 PolarHBondContact O-N 2.67Å; S26-C30 PolarHBondContact O-N 3.06Å; S26-C30 PolarHBondContact O-SG 3.07Å
27E90.8Very high86.4Confident111 Ų11172.9 Ų72.952%0.51940%0.395SS..Hα-helixtrans-65.4-43.8173.3-159.6-149.3130.800111.4E23 A24 A25 W29 C30 R31E23-E27 PolarHBondContact O-N 2.84Å; A24-E27 WeakPolarHBondContact O-CB 3.31Å; A24-E27 PolarHBondContact O-N 3.44Å; A24-E27 VanDerWaalsContact O-N 3.15Å; A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.86Å; E27-W29 VanDerWaalsContact C-N 3.31Å; E27-W29 PolarHBondContact O-N 3.27Å; E27-C30 WeakPolarHBondContact O-CB 3.42Å; E27-C30 PolarHBondContact O-N 3.42Å; E27-C30 VanDerWaalsContact O-N 3.14Å; E27-R31 PolarHBondContact O-N 3Å; E27-R31 IonicContact OE1-CZ 2.87Å; E27-R31 IonicContact OE1-NH2 2.71Å; E27-R31 PolarHBondContact OE1-NH2 2.99Å
28V93.6Very high87.6Confident89 Ų8973 Ų7354%0.53940%0.397SS..Hα-helixtrans-58.9-44.1175.4179.70000110.5A24 A25 C30 R31 R32A24-V28 PolarHBondContact O-N 3.05Å; A25-V28 WeakPolarHBondContact O-CB 3.42Å; A25-V28 PolarHBondContact O-N 3.35Å; V28-C30 PolarHBondContact O-N 2.89Å; V28-R31 PolarHBondContact O-N 3.43Å; V28-R32 WeakPolarHBondContact O-CB 3.22Å; V28-R32 PolarHBondContact O-N 2.96Å
29W93.3Very high88.2Confident59 Ų5973.1 Ų73.122%0.22339%0.39CS..Hα-helixtrans-63-40.1175-64.3132.1000112.7A25 S26 E27 R32 V33 F91 E93 V96A25-W29 PolarHBondContact O-N 2.68Å; A25-W29 VanDerWaalsContact O-N 3.08Å; S26-W29 PolarHBondContact O-N 2.67Å; E27-W29 VanDerWaalsContact C-N 3.31Å; E27-W29 PolarHBondContact O-N 3.27Å; W29-R32 PolarHBondContact O-N 3.36Å; W29-V33 WeakPolarHBondContact O-CG2 3.15Å; W29-V33 PolarHBondContact O-N 3.3Å; W29-F91 HydrophobicContact CB-CB 4.42Å; W29-F91 WeakPolarHBondContact CB-O 3.46Å; W29-E93 HydrophobicContact CD2-CB 4.34Å; W29-E93 HydrophobicContact CH2-CB 4.25Å; W29-E93 HydrophobicContact CH2-CG 3.75Å; W29-E93 HydrophobicContact CZ2-CB 3.56Å; W29-E93 HydrophobicContact CZ2-CG 3.46Å; W29-E93 VanDerWaalsContact CZ2-CG 3.46Å; W29-V96 HydrophobicContact CB-CG2 3.78Å; W29-V96 HydrophobicContact CD2-CG2 4.4Å; W29-V96 HydrophobicContact CE3-CB 3.92Å; W29-V96 HydrophobicContact CE3-CG1 4.03Å; W29-V96 HydrophobicContact CE3-CG2 4.13Å; W29-V96 HydrophobicContact CG-CG2 4.28Å
30C92.3Very high88.4Confident19 Ų1970 Ų7013%0.12839%0.387CS..Hα-helixtrans-65.3-41.1174.9-66.60000112.7S26 E27 V28 R32 V33 R34S26-C30 PolarHBondContact O-N 3.06Å; S26-C30 PolarHBondContact O-SG 3.07Å; E27-C30 WeakPolarHBondContact O-CB 3.42Å; E27-C30 PolarHBondContact O-N 3.42Å; E27-C30 VanDerWaalsContact O-N 3.14Å; V28-C30 PolarHBondContact O-N 2.89Å; C30-R32 VanDerWaalsContact C-N 3.34Å; C30-V33 PolarHBondContact O-N 3.27Å; C30-R34 WeakPolarHBondContact O-CG 3.49Å; C30-R34 PolarHBondContact O-N 3.38Å
31R93.1Very high88Confident143 Ų14375.7 Ų75.754%0.5440%0.402SS..Hα-helixtrans-60.6-45.1173.5-174.2173.7-63.3161.35.2110.7E27 V28 V33 R34 E35E27-R31 PolarHBondContact O-N 3Å; E27-R31 IonicContact OE1-CZ 2.87Å; E27-R31 IonicContact OE1-NH2 2.71Å; E27-R31 PolarHBondContact OE1-NH2 2.99Å; V28-R31 PolarHBondContact O-N 3.43Å; R31-V33 PolarHBondContact O-N 3.48Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 3.04Å; R31-R34 VanDerWaalsContact O-N 3.13Å; R31-E35 PolarHBondContact O-N 3.28Å
32R93.8Very high87.6Confident100 Ų10069.9 Ų69.938%0.37738%0.379SS..Hα-helixtrans-63-37.7178.7-171.354.5169.6-174.3-3.6113.3V28 W29 C30 R34 E35 L36 V96V28-R32 WeakPolarHBondContact O-CB 3.22Å; V28-R32 PolarHBondContact O-N 2.96Å; W29-R32 PolarHBondContact O-N 3.36Å; C30-R32 VanDerWaalsContact C-N 3.34Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.4Å; R32-E35 WeakPolarHBondContact CD-OE2 3.25Å; R32-E35 IonicContact CZ-OE2 3.77Å; R32-E35 IonicContact NE-OE2 2.73Å; R32-E35 IonicContact NH1-OE2 3.81Å; R32-E35 PolarHBondContact NH1-OE2 3.47Å; R32-E35 WeakPolarHBondContact O-CB 3.41Å; R32-E35 PolarHBondContact O-N 3.35Å; R32-L36 HydrophobicContact CG-CD1 4.36Å; R32-L36 WeakPolarHBondContact O-CD1 3.43Å; R32-L36 VanDerWaalsContact O-CG 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.47Å; R32-L36 PolarHBondContact O-N 3.07Å; R32-V96 HydrophobicContact CB-CG1 4.02Å; R32-V96 HydrophobicContact CG-CG1 3.68Å
33V94.1Very high87.8Confident0 Ų067.7 Ų67.70%036%0.363CS..Hα-helixtrans-65.7-35.8174.4173.50000112W29 C30 R31 L36 G37 V58 F65 I86 F91 V96 L99W29-V33 WeakPolarHBondContact O-CG2 3.15Å; W29-V33 PolarHBondContact O-N 3.3Å; C30-V33 PolarHBondContact O-N 3.27Å; R31-V33 PolarHBondContact O-N 3.48Å; V33-L36 PolarHBondContact O-N 2.84Å; V33-G37 PolarHBondContact O-N 3.01Å; V33-V58 HydrophobicContact CG1-CG2 3.78Å; V33-F65 HydrophobicContact CG1-CE1 4.23Å; V33-I86 HydrophobicContact CG1-CG1 4.33Å; V33-I86 HydrophobicContact CG1-CG2 4.44Å; V33-F91 HydrophobicContact CB-CD2 4.23Å; V33-F91 HydrophobicContact CB-CE2 4.25Å; V33-F91 HydrophobicContact CG1-CD2 4.43Å; V33-F91 HydrophobicContact CG1-CE1 4.19Å; V33-F91 HydrophobicContact CG1-CE2 4Å; V33-F91 HydrophobicContact CG1-CZ 3.88Å; V33-F91 HydrophobicContact CG2-CB 4.21Å; V33-F91 HydrophobicContact CG2-CD1 4Å; V33-F91 HydrophobicContact CG2-CD2 3.98Å; V33-F91 HydrophobicContact CG2-CE1 4.37Å; V33-F91 HydrophobicContact CG2-CE2 4.37Å; V33-F91 HydrophobicContact CG2-CG 3.79Å; V33-V96 HydrophobicContact CG2-CB 4.37Å; V33-V96 HydrophobicContact CG2-CG1 4.07Å; V33-V96 HydrophobicContact CG2-CG2 3.6Å; V33-L99 HydrophobicContact CG2-CD1 4.18Å
34R93.1Very high88Confident130 Ų13062 Ų6249%0.49134%0.337SS..Hα-helixtrans-65.8-42.7174.7-68.2169.3-173.2-143.113.3112C30 R31 R32 L36 G37 G38 I86 S87C30-R34 WeakPolarHBondContact O-CG 3.49Å; C30-R34 PolarHBondContact O-N 3.38Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 3.04Å; R31-R34 VanDerWaalsContact O-N 3.13Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.4Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.41Å; R34-G37 PolarHBondContact O-N 3.2Å; R34-G38 PolarHBondContact O-N 3.43Å; R34-I86 HydrophobicContact CB-CG2 4.43Å; R34-I86 HydrophobicContact CG-CG2 3.54Å; R34-I86 PolarHBondContact NE-O 3.23Å; R34-S87 PolarHBondContact NH2-O 3.2Å; R34-S87 VanDerWaalsContact NH2-O 3.12Å
35E93.4Very high88.2Confident94 Ų9464 Ų6444%0.43933%0.331SS..Hα-helixtrans-57.2-45172.5-68.2166.1-161.100111.8R31 R32 G38 C39R31-E35 PolarHBondContact O-N 3.28Å; R32-E35 WeakPolarHBondContact CD-OE2 3.25Å; R32-E35 IonicContact CZ-OE2 3.77Å; R32-E35 IonicContact NE-OE2 2.73Å; R32-E35 IonicContact NH1-OE2 3.81Å; R32-E35 PolarHBondContact NH1-OE2 3.47Å; R32-E35 WeakPolarHBondContact O-CB 3.41Å; R32-E35 PolarHBondContact O-N 3.35Å; E35-G38 PolarHBondContact O-N 3.2Å; E35-C39 PolarHBondContact O-N 2.84Å
36L91.8Very high88.4Confident24 Ų2466 Ų6613%0.12633%0.333CS..Hα-helixtrans-65.3-41179.5-66.7164.4000112.1R32 V33 R34 G38 C39 N44 F65 V96 L99 Q100R32-L36 HydrophobicContact CG-CD1 4.36Å; R32-L36 WeakPolarHBondContact O-CD1 3.43Å; R32-L36 VanDerWaalsContact O-CG 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.47Å; R32-L36 PolarHBondContact O-N 3.07Å; V33-L36 PolarHBondContact O-N 2.84Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.41Å; L36-G38 VanDerWaalsContact C-N 3.31Å; L36-G38 PolarHBondContact O-N 3.36Å; L36-C39 WeakPolarHBondContact O-CB 3.16Å; L36-C39 PolarHBondContact O-N 3.32Å; L36-N44 WeakPolarHBondContact O-CB 3.29Å; L36-N44 PolarHBondContact O-ND2 3.03Å; L36-F65 HydrophobicContact CB-CE1 4.23Å; L36-F65 HydrophobicContact CB-CE2 4.39Å; L36-F65 HydrophobicContact CB-CZ 3.61Å; L36-V96 HydrophobicContact CD1-CG1 4.22Å; L36-L99 HydrophobicContact CD1-CB 4.49Å; L36-Q100 HydrophobicContact CD1-CG 3.48Å; L36-Q100 VanDerWaalsContact CD1-CG 3.48Å; L36-Q100 HydrophobicContact CD2-CG 3.86Å; L36-Q100 HydrophobicContact CG-CG 4.27Å
37G89.3Confident88.6Confident7 Ų765 Ų657%0.07233%0.326CS..Hα-helixtrans-63-35.617300000113.1V33 R34 C39 N44V33-G37 PolarHBondContact O-N 3.01Å; R34-G37 PolarHBondContact O-N 3.2Å; G37-C39 VanDerWaalsContact C-N 3.3Å; G37-C39 PolarHBondContact O-N 3.04Å; G37-N44 CarbonylContact O-C 3.56Å
38G87Confident88.7Confident47 Ų4760.3 Ų60.349%0.48531%0.305SS..Hα-helixtrans-71.9-18.6174.400000114.7R34 E35 L36 S40 R45R34-G38 PolarHBondContact O-N 3.43Å; E35-G38 PolarHBondContact O-N 3.2Å; L36-G38 VanDerWaalsContact C-N 3.31Å; L36-G38 PolarHBondContact O-N 3.36Å; G38-S40 PolarHBondContact O-N 3.19Å; G38-R45 WeakPolarHBondContact O-CD 3.26Å; G38-R45 VanDerWaalsContact O-CG 3.25Å; G38-R45 WeakPolarHBondContact O-CG 3.35Å
39C84.5Confident88.6Confident47 Ų4756.8 Ų56.832%0.31828%0.282SS..  trans-70.7115.5-170-172.60000113.5E35 L36 G37 Q41 N44E35-C39 PolarHBondContact O-N 2.84Å; L36-C39 WeakPolarHBondContact O-CB 3.16Å; L36-C39 PolarHBondContact O-N 3.32Å; G37-C39 VanDerWaalsContact C-N 3.3Å; G37-C39 PolarHBondContact O-N 3.04Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-N44 PolarHBondContact O-N 3.38Å
40S78.7Confident88.4Confident83 Ų8355.1 Ų55.158%0.5828%0.279SS*.THydrogen-bonded Turntrans-62.9-36.9172.3-62.80000112.9G38 A42 G43 R45G38-S40 PolarHBondContact O-N 3.19Å; S40-A42 VanDerWaalsContact C-N 3.3Å; S40-A42 PolarHBondContact O-N 2.87Å; S40-G43 WeakPolarHBondContact O-CA 3.4Å; S40-G43 PolarHBondContact O-N 3.19Å; S40-R45 WeakPolarHBondContact OG-CD 3.47Å
41Q69.6Low88.2Confident180 Ų18057.6 Ų57.684%0.84130%0.301SS*.THydrogen-bonded Turntrans-61.7-34.1-170.5-162.374.2-4.800113.3C39C39-Q41 VanDerWaalsContact C-N 3.34Å
42A74.6Confident88Confident23 Ų2354.9 Ų54.919%0.1930%0.295CS..THydrogen-bonded Turntrans-91.50.4175.800000113.2S40 N44 E105 R108S40-A42 VanDerWaalsContact C-N 3.3Å; S40-A42 PolarHBondContact O-N 2.87Å; A42-N44 VanDerWaalsContact C-N 3.25Å; A42-N44 PolarHBondContact O-N 2.79Å; A42-N44 PolarHBondContact O-OD1 3.07Å; A42-E105 WeakPolarHBondContact O-CB 3.47Å; A42-E105 PolarHBondContact O-N 3.43Å; A42-R108 PolarHBondContact O-NH2 3.33Å; A42-R108 VanDerWaalsContact O-NH2 3.15Å
43G83.9Confident87.8Confident17 Ų1759.4 Ų59.418%0.17531%0.311CS..THydrogen-bonded Turntrans60.332.4-173.200000113.5S40S40-G43 WeakPolarHBondContact O-CA 3.4Å; S40-G43 PolarHBondContact O-N 3.19Å
44N89.8Confident87.5Confident3 Ų361.2 Ų61.22%0.01633%0.331CS..THydrogen-bonded Turntrans-80.5-16.1-177.7-68.7-15.6000113.2L36 G37 C39 A42 H46 V55 F65 N104L36-N44 WeakPolarHBondContact O-CB 3.29Å; L36-N44 PolarHBondContact O-ND2 3.03Å; G37-N44 CarbonylContact O-C 3.56Å; C39-N44 PolarHBondContact O-N 3.38Å; A42-N44 VanDerWaalsContact C-N 3.25Å; A42-N44 PolarHBondContact O-N 2.79Å; A42-N44 PolarHBondContact O-OD1 3.07Å; N44-H46 PolarHBondContact O-N 2.76Å; N44-H46 VanDerWaalsContact O-N 3.07Å; N44-V55 VanDerWaalsContact O-CG1 3.23Å; N44-V55 WeakPolarHBondContact O-CG1 3.44Å; N44-V55 VanDerWaalsContact O-CG2 3.28Å; N44-V55 WeakPolarHBondContact O-CG2 3.4Å; N44-F65 HydrophobicContact CB-CB 4.5Å; N44-F65 HydrophobicContact CB-CD2 3.99Å; N44-F65 HydrophobicContact CB-CE2 4.49Å; N44-F65 HydrophobicContact CB-CG 4.21Å; N44-F65 VanDerWaalsContact CG-CD2 3.47Å; N44-F65 WeakPolarHBondContact ND2-CE2 3.24Å; N44-N104 WeakPolarHBondContact OD1-CB 3.45Å; N44-N104 PolarHBondContact OD1-N 3.43Å
45R90.3Very high87.6Confident101 Ų10156.1 Ų56.138%0.38131%0.314SS..THydrogen-bonded Turntrans-64.2-11.5179.6-62.6179.471.5-127.38.3114.4G38 S40 G54G38-R45 WeakPolarHBondContact O-CD 3.26Å; G38-R45 VanDerWaalsContact O-CG 3.25Å; G38-R45 WeakPolarHBondContact O-CG 3.35Å; S40-R45 WeakPolarHBondContact OG-CD 3.47Å; R45-G54 PolarHBondContact O-N 3.15Å; R45-G54 VanDerWaalsContact O-N 3.15Å
46H91.6Very high87.7Confident83 Ų8354.2 Ų54.238%0.38431%0.309SS..BIsolated β-bridgetrans-121.9139.2178.9-59.9110.2000109.8N44 F48 A51 Q52 N104N44-H46 PolarHBondContact O-N 2.76Å; N44-H46 VanDerWaalsContact O-N 3.07Å; H46-F48 PolarHBondContact O-N 2.95Å; H46-A51 WeakPolarHBondContact CB-O 3.41Å; H46-A51 PolarHBondContact CD2-O 3.04Å; H46-Q52 WeakPolarHBondContact CA-O 3.26Å; H46-N104 PolarHBondContact O-ND2 3.24Å
47C93.1Very high87.9Confident4 Ų456 Ų563%0.02731%0.314CS..  trans-56.6132.7176.81770000111.2E49 A51 Q52 C67C47-E49 PolarHBondContact O-N 3.47Å; C47-A51 VanDerWaalsContact O-CA 3.26Å; C47-A51 WeakPolarHBondContact O-CA 3.34Å; C47-A51 PolarHBondContact O-N 3.3Å; C47-Q52 PolarHBondContact N-O 2.57Å; C47-C67 HydrophobicContact CB-CB 4.13Å; C47-C67 PolarHBondContact SG-N 2.88Å
48F92.8Very high88.2Confident14 Ų1455.7 Ų55.76%0.06131%0.311CS..THydrogen-bonded Turntrans-63.4-24.1-177.5-176.2-132.2000114.6H46 V62 F65 V66 N104 C107 R108 W111 L112 K138 Y139H46-F48 PolarHBondContact O-N 2.95Å; F48-V62 HydrophobicContact CE1-CG1 4.3Å; F48-F65 PolarHBondContact N-O 3.01Å; F48-V66 HydrophobicContact CB-CG1 4.12Å; F48-N104 HydrophobicContact CD2-CB 4.42Å; F48-C107 HydrophobicContact CD1-CB 4.35Å; F48-C107 HydrophobicContact CE1-CB 3.83Å; F48-C107 HydrophobicContact CE2-CB 4.07Å; F48-C107 HydrophobicContact CZ-CB 3.72Å; F48-C107 VanDerWaalsContact CZ-O 3.24Å; F48-C107 WeakPolarHBondContact CZ-O 3.4Å; F48-R108 HydrophobicContact CD2-CG 4.25Å; F48-R108 HydrophobicContact CE2-CB 4.27Å; F48-R108 HydrophobicContact CE2-CG 3.71Å; F48-W111 HydrophobicContact CE1-CB 4.39Å; F48-W111 HydrophobicContact CZ-CB 4.11Å; F48-L112 HydrophobicContact CE2-CD1 4.31Å; F48-K138 VanDerWaalsContact CE1-NZ 3.31Å; F48-Y139 WeakPolarHBondContact CD1-OH 3.33Å; F48-Y139 WeakPolarHBondContact CE1-OH 3.25Å
49E91.1Very high88.7Confident15 Ų1553.4 Ų53.47%0.0729%0.288CS..THydrogen-bonded Turntrans-94.2-58-178.7-56.3-49131.900112.9C47 V66 C70 L74 L135 K138 Y139C47-E49 PolarHBondContact O-N 3.47Å; E49-V66 HydrophobicContact CG-CG1 4.39Å; E49-C70 HydrophobicContact CB-CB 4.05Å; E49-C70 HydrophobicContact CG-CB 4.1Å; E49-L74 HydrophobicContact CG-CD1 4.43Å; E49-L135 HydrophobicContact CB-CD1 4.19Å; E49-L135 HydrophobicContact CG-CD1 4.13Å; E49-L135 HydrophobicContact CG-CD2 4.41Å; E49-L135 HydrophobicContact CG-CG 4.49Å; E49-L135 WeakPolarHBondContact OE2-CD1 3.21Å; E49-K138 IonicContact OE1-NZ 3.66Å; E49-K138 PolarHBondContact OE1-NZ 3Å; E49-K138 IonicContact OE2-NZ 2.67Å; E49-K138 PolarHBondContact OE2-NZ 3.17Å; E49-Y139 PolarHBondContact OE1-OH 3.02Å
50C88.5Confident89.2Confident24 Ų2451.9 Ų51.916%0.16228%0.276CS..THydrogen-bonded Turntrans-98.73.8-17364.80000114.8Q52 C67 C70C50-Q52 HydrophobicContact CB-CG 4.26Å; C50-Q52 PolarHBondContact O-N 3.22Å; C50-C67 VanDerWaalsContact SG-SG 3.67Å; C50-C70 VanDerWaalsContact SG-SG 3.63Å
51A88.6Confident89.9Confident71 Ų7151.2 Ų51.259%0.58727%0.268SS*.  trans56.20.7-174.600000116.6H46 C47H46-A51 WeakPolarHBondContact CB-O 3.41Å; H46-A51 PolarHBondContact CD2-O 3.04Å; C47-A51 VanDerWaalsContact O-CA 3.26Å; C47-A51 WeakPolarHBondContact O-CA 3.34Å; C47-A51 PolarHBondContact O-N 3.3Å
52Q88.1Confident91Very high86 Ų8642.6 Ų42.640%0.40223%0.228SC..  trans-62.7141.4178.3-65.8172.1-5.800111.2H46 C47 C50 S125H46-Q52 WeakPolarHBondContact CA-O 3.26Å; C47-Q52 PolarHBondContact N-O 2.57Å; C50-Q52 HydrophobicContact CB-CG 4.26Å; C50-Q52 PolarHBondContact O-N 3.22Å; Q52-S125 PolarHBondContact NE2-OG 2.87Å
53R90.3Very high92Very high194 Ų19441.5 Ų41.573%0.73222%0.219SC*.BIsolated β-bridgetrans-73.7137.6179.9-179.5178.4162.1-156.6-7.2110.9
54G88.4Confident92.5Very high39 Ų3940.7 Ų40.740%0.40221%0.211SC..  trans101.388.6-179.700000112R45R45-G54 PolarHBondContact O-N 3.15Å; R45-G54 VanDerWaalsContact O-N 3.15Å
55V94Very high92.8Very high23 Ų2340.6 Ų40.614%0.13921%0.21CC..  trans-84.7136.5170.5-66.30000110N44 F65 V66 I86N44-V55 VanDerWaalsContact O-CG1 3.23Å; N44-V55 WeakPolarHBondContact O-CG1 3.44Å; N44-V55 VanDerWaalsContact O-CG2 3.28Å; N44-V55 WeakPolarHBondContact O-CG2 3.4Å; V55-F65 HydrophobicContact CB-CB 3.93Å; V55-F65 HydrophobicContact CG1-CB 3.8Å; V55-F65 HydrophobicContact CG2-CB 4Å; V55-F65 HydrophobicContact CG2-CD1 4.36Å; V55-V66 WeakPolarHBondContact CA-O 3.42Å; V55-I86 HydrophobicContact CB-CD1 4.39Å; V55-I86 HydrophobicContact CG2-CD1 4.14Å
56T95.2Very high93.1Very high54 Ų5435.8 Ų35.833%0.33119%0.192SC..  trans-127.9-19.5-175.946.60000112.3V66 T68 I86T56-V66 PolarHBondContact N-O 2.71Å; T56-T68 PolarHBondContact OG1-N 3.43Å; T56-T68 PolarHBondContact OG1-OG1 3.37Å; T56-I86 WeakPolarHBondContact O-CB 3.42Å; T56-I86 PolarHBondContact O-N 3.4Å
57Y96.5Very high93.2Very high61 Ų6132.3 Ų32.324%0.23918%0.177CC..EExtended strand (participates in β ladder)trans-127.2159.5178.2-69.8-99.6000110.9V66 T68 S71 K84Y57-V66 PolarHBondContact N-O 3.37Å; Y57-V66 PolarHBondContact O-N 2.93Å; Y57-V66 VanDerWaalsContact O-O 3.12Å; Y57-T68 HydrophobicContact CE2-CG2 3.82Å; Y57-S71 WeakPolarHBondContact CD2-OG 3.37Å; Y57-K84 CarbonylContact C-O 3.57Å; Y57-K84 WeakPolarHBondContact CA-O 3.48Å; Y57-K84 WeakPolarHBondContact CB-O 3.48Å; Y57-K84 WeakPolarHBondContact CD1-O 3.24Å
58V96.4Very high93.3Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-123129.9173.9-167.40000109V33 I60 S64 F65 V83 K84 I86 F91 L99V33-V58 HydrophobicContact CG1-CG2 3.78Å; V58-I60 HydrophobicContact CB-CD1 4.35Å; V58-I60 HydrophobicContact CG1-CD1 4.03Å; V58-S64 CarbonylContact C-O 3.49Å; V58-S64 WeakPolarHBondContact CA-O 3.34Å; V58-S64 WeakPolarHBondContact CG1-O 3.39Å; V58-F65 HydrophobicContact CG1-CE1 4.49Å; V58-F65 HydrophobicContact CG2-CD1 3.94Å; V58-F65 HydrophobicContact CG2-CE1 3.9Å; V58-V83 CarbonylContact O-C 3.56Å; V58-V83 VanDerWaalsContact O-CA 3.22Å; V58-V83 WeakPolarHBondContact O-CA 3.33Å; V58-K84 PolarHBondContact N-O 3.45Å; V58-K84 PolarHBondContact O-N 2.89Å; V58-I86 HydrophobicContact CG2-CD1 4.07Å; V58-I86 HydrophobicContact CG2-CG1 3.44Å; V58-I86 VanDerWaalsContact CG2-CG1 3.44Å; V58-F91 HydrophobicContact CB-CE1 4.38Å; V58-F91 HydrophobicContact CG2-CE1 4.26Å; V58-F91 HydrophobicContact CG2-CZ 4.21Å; V58-L99 HydrophobicContact CG1-CD1 3.69Å; V58-L99 HydrophobicContact CG1-CD2 3.23Å; V58-L99 HydrophobicContact CG1-CG 4.08Å
59D96.4Very high93.3Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-83.8113.4167.5-176.5-14.9000109.4T61 V62 G63 S64 H81 V83D59-T61 WeakPolarHBondContact OD1-CA 3.41Å; D59-T61 VanDerWaalsContact OD1-CB 3.28Å; D59-T61 WeakPolarHBondContact OD1-CB 3.3Å; D59-T61 PolarHBondContact OD1-N 3.15Å; D59-V62 HydrophobicContact CB-CB 4.31Å; D59-V62 PolarHBondContact OD1-N 2.98Å; D59-V62 WeakPolarHBondContact OD2-CB 3.35Å; D59-V62 VanDerWaalsContact OD2-CG2 3.26Å; D59-V62 WeakPolarHBondContact OD2-CG2 3.28Å; D59-G63 WeakPolarHBondContact O-CA 3.41Å; D59-G63 PolarHBondContact O-N 3.08Å; D59-S64 PolarHBondContact N-O 3.26Å; D59-S64 PolarHBondContact O-N 3.45Å; D59-H81 IonicContact OD1-ND1 2.72Å; D59-H81 IonicContact OD2-CE1 3.6Å; D59-H81 IonicContact OD2-CG 3.67Å; D59-H81 IonicContact OD2-ND1 3.88Å; D59-H81 PolarHBondContact OD2-ND1 3.16Å; D59-V83 HydrophobicContact CB-CG1 3.97Å
60I94.9Very high93.4Very high15 Ų1539.1 Ų39.18%0.07722%0.221CC..THydrogen-bonded Turntrans-83-19.1178.6-53.1-59.2000111.8V58 R82 K84 F91 E95 F98 L99V58-I60 HydrophobicContact CB-CD1 4.35Å; V58-I60 HydrophobicContact CG1-CD1 4.03Å; I60-R82 HydrophobicContact CB-CB 4.42Å; I60-R82 WeakPolarHBondContact CB-O 3.29Å; I60-R82 PolarHBondContact N-O 2.91Å; I60-K84 HydrophobicContact CD1-CD 4.37Å; I60-K84 HydrophobicContact CG1-CB 4.42Å; I60-K84 HydrophobicContact CG1-CD 4.03Å; I60-K84 HydrophobicContact CG1-CG 3.97Å; I60-F91 HydrophobicContact CD1-CD1 4.33Å; I60-F91 HydrophobicContact CD1-CE1 4.13Å; I60-E95 HydrophobicContact CD1-CB 4.5Å; I60-E95 HydrophobicContact CG2-CG 4.05Å; I60-F98 WeakPolarHBondContact O-CE1 3.45Å; I60-L99 HydrophobicContact CD1-CD1 4.02Å
61T94.2Very high93.7Very high68 Ų6838.3 Ų38.342%0.41722%0.216SC..THydrogen-bonded Turntrans-72.5-43.2172.1-60.50000110.5D59 R82D59-T61 WeakPolarHBondContact OD1-CA 3.41Å; D59-T61 VanDerWaalsContact OD1-CB 3.28Å; D59-T61 WeakPolarHBondContact OD1-CB 3.3Å; D59-T61 PolarHBondContact OD1-N 3.15Å; T61-R82 PolarHBondContact OG1-N 3.07Å
62V93.4Very high94Very high0 Ų036.7 Ų36.70%021%0.206CC..THydrogen-bonded Turntrans-93-33.5-177.9170.80000113.1F48 D59 H81 R102 C107 W111 Y139F48-V62 HydrophobicContact CE1-CG1 4.3Å; D59-V62 HydrophobicContact CB-CB 4.31Å; D59-V62 PolarHBondContact OD1-N 2.98Å; D59-V62 WeakPolarHBondContact OD2-CB 3.35Å; D59-V62 VanDerWaalsContact OD2-CG2 3.26Å; D59-V62 WeakPolarHBondContact OD2-CG2 3.28Å; V62-H81 VanDerWaalsContact CG2-CE1 3.45Å; V62-H81 WeakPolarHBondContact CG2-CE1 3.23Å; V62-R102 WeakPolarHBondContact O-CD 3.47Å; V62-R102 PolarHBondContact O-NH1 3.19Å; V62-C107 HydrophobicContact CG1-CB 4.23Å; V62-C107 PolarHBondContact O-SG 3.34Å; V62-C107 VanDerWaalsContact O-SG 3.38Å; V62-W111 HydrophobicContact CG2-CZ2 4.26Å; V62-Y139 HydrophobicContact CG2-CD1 4.28Å; V62-Y139 HydrophobicContact CG2-CE1 3.63Å
63G94.4Very high94.2Very high0 Ų034.3 Ų34.30%020%0.196CC..THydrogen-bonded Turntrans82.237.9-170.400000113.1D59 G103 C107D59-G63 WeakPolarHBondContact O-CA 3.41Å; D59-G63 PolarHBondContact O-N 3.08Å; G63-G103 PolarHBondContact O-N 3.23Å; G63-C107 PolarHBondContact O-SG 2.7Å; G63-C107 VanDerWaalsContact O-SG 3.37Å
64S95.1Very high94.4Very high0 Ų025 Ų250%016%0.161CC..EExtended strand (participates in β ladder)trans-124.6158.5-176.663.60000112.9V58 D59 N104V58-S64 CarbonylContact C-O 3.49Å; V58-S64 WeakPolarHBondContact CA-O 3.34Å; V58-S64 WeakPolarHBondContact CG1-O 3.39Å; D59-S64 PolarHBondContact N-O 3.26Å; D59-S64 PolarHBondContact O-N 3.45Å; S64-N104 WeakPolarHBondContact CA-OD1 3.5Å; S64-N104 WeakPolarHBondContact CB-OD1 3.31Å
65F96.2Very high94.7Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-105.6128.2179.6-64.6-98000110V33 L36 N44 F48 V55 V58 I86 L99 N104V33-F65 HydrophobicContact CG1-CE1 4.23Å; L36-F65 HydrophobicContact CB-CE1 4.23Å; L36-F65 HydrophobicContact CB-CE2 4.39Å; L36-F65 HydrophobicContact CB-CZ 3.61Å; N44-F65 HydrophobicContact CB-CB 4.5Å; N44-F65 HydrophobicContact CB-CD2 3.99Å; N44-F65 HydrophobicContact CB-CE2 4.49Å; N44-F65 HydrophobicContact CB-CG 4.21Å; N44-F65 VanDerWaalsContact CG-CD2 3.47Å; N44-F65 WeakPolarHBondContact ND2-CE2 3.24Å; F48-F65 PolarHBondContact N-O 3.01Å; V55-F65 HydrophobicContact CB-CB 3.93Å; V55-F65 HydrophobicContact CG1-CB 3.8Å; V55-F65 HydrophobicContact CG2-CB 4Å; V55-F65 HydrophobicContact CG2-CD1 4.36Å; V58-F65 HydrophobicContact CG1-CE1 4.49Å; V58-F65 HydrophobicContact CG2-CD1 3.94Å; V58-F65 HydrophobicContact CG2-CE1 3.9Å; F65-I86 HydrophobicContact CD1-CD1 4.08Å; F65-L99 HydrophobicContact CE2-CD2 4.46Å; F65-N104 PolarHBondContact N-OD1 2.73Å; F65-N104 PolarHBondContact O-ND2 2.91Å
66V95.5Very high94.7Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-137.8160.5-170.6-63.50000112.3F48 E49 V55 T56 Y57 C70 L74F48-V66 HydrophobicContact CB-CG1 4.12Å; E49-V66 HydrophobicContact CG-CG1 4.39Å; V55-V66 WeakPolarHBondContact CA-O 3.42Å; T56-V66 PolarHBondContact N-O 2.71Å; Y57-V66 PolarHBondContact N-O 3.37Å; Y57-V66 PolarHBondContact O-N 2.93Å; Y57-V66 VanDerWaalsContact O-O 3.12Å; V66-C70 HydrophobicContact CB-CB 4.37Å; V66-L74 HydrophobicContact CB-CD1 4.48Å; V66-L74 HydrophobicContact CG1-CD1 4Å; V66-L74 HydrophobicContact CG2-CD1 4.17Å
67C94.9Very high94.6Very high11 Ų1129.8 Ų29.87%0.07417%0.173CC..  trans-83168.7172.571.80000111.6C47 C50 T69 C70 S71C47-C67 HydrophobicContact CB-CB 4.13Å; C47-C67 PolarHBondContact SG-N 2.88Å; C50-C67 VanDerWaalsContact SG-SG 3.67Å; C67-T69 VanDerWaalsContact C-N 3.34Å; C67-T69 PolarHBondContact O-N 3.45Å; C67-C70 PolarHBondContact O-N 3.01Å; C67-C70 VanDerWaalsContact SG-SG 3.64Å; C67-S71 PolarHBondContact O-N 2.98Å
68T94.5Very high94.3Very high75 Ų7533.2 Ų33.246%0.4620%0.195SC..Hα-helixtrans-54.9-44-179.2-49.20000113.1T56 Y57 S71 G72T56-T68 PolarHBondContact OG1-N 3.43Å; T56-T68 PolarHBondContact OG1-OG1 3.37Å; Y57-T68 HydrophobicContact CE2-CG2 3.82Å; T68-S71 PolarHBondContact O-N 2.91Å; T68-S71 PolarHBondContact O-OG 3.23Å; T68-G72 PolarHBondContact O-N 2.93Å
69T93.1Very high94.1Very high97 Ų9737.9 Ų37.960%0.59523%0.225SC*.Hα-helixtrans-64.2-47.4-178.7-44.40000111.5C67 S71 G72 L73C67-T69 VanDerWaalsContact C-N 3.34Å; C67-T69 PolarHBondContact O-N 3.45Å; T69-S71 PolarHBondContact O-N 2.74Å; T69-G72 PolarHBondContact O-N 3.15Å; T69-L73 PolarHBondContact O-N 3.01Å
70C93.1Very high94Very high4 Ų441.8 Ų41.83%0.02725%0.251CS..Hα-helixtrans-69.5-31.5179.9-62.50000112.4E49 C50 V66 C67 G72 L73 L74E49-C70 HydrophobicContact CB-CB 4.05Å; E49-C70 HydrophobicContact CG-CB 4.1Å; C50-C70 VanDerWaalsContact SG-SG 3.63Å; V66-C70 HydrophobicContact CB-CB 4.37Å; C67-C70 PolarHBondContact O-N 3.01Å; C67-C70 VanDerWaalsContact SG-SG 3.64Å; C70-G72 VanDerWaalsContact C-N 3.26Å; C70-G72 PolarHBondContact O-N 3.33Å; C70-L73 PolarHBondContact O-N 3.15Å; C70-L74 WeakPolarHBondContact O-CB 3.35Å; C70-L74 WeakPolarHBondContact O-CD1 3.45Å; C70-L74 VanDerWaalsContact O-CG 3.25Å; C70-L74 WeakPolarHBondContact O-CG 3.42Å; C70-L74 PolarHBondContact O-N 3.22Å
71S94.8Very high94Very high7 Ų742 Ų425%0.04925%0.251CS..Hα-helixtrans-64.6-31.7172.782.90000112.4Y57 C67 T68 T69 R75Y57-S71 WeakPolarHBondContact CD2-OG 3.37Å; C67-S71 PolarHBondContact O-N 2.98Å; T68-S71 PolarHBondContact O-N 2.91Å; T68-S71 PolarHBondContact O-OG 3.23Å; T69-S71 PolarHBondContact O-N 2.74Å; S71-R75 WeakPolarHBondContact O-CD 3.32Å; S71-R75 VanDerWaalsContact O-CG 3.3Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3Å
72G94.2Very high94.1Very high37 Ų3745.8 Ų45.838%0.38126%0.258SS..Hα-helixtrans-63.2-47.7169.400000113.1T68 T69 C70 R75T68-G72 PolarHBondContact O-N 2.93Å; T69-G72 PolarHBondContact O-N 3.15Å; C70-G72 VanDerWaalsContact C-N 3.26Å; C70-G72 PolarHBondContact O-N 3.33Å; G72-R75 PolarHBondContact O-N 3.34Å
73L93.6Very high94.2Very high35 Ų3547.2 Ų47.218%0.18327%0.267CS..Hα-helixtrans-67.2-40.9-179.8-62.4176.6000112.7T69 C70 R75 G76 V131 K132 L135T69-L73 PolarHBondContact O-N 3.01Å; C70-L73 PolarHBondContact O-N 3.15Å; L73-R75 PolarHBondContact O-N 3.47Å; L73-G76 WeakPolarHBondContact O-CA 3.16Å; L73-G76 PolarHBondContact O-N 3.06Å; L73-V131 HydrophobicContact CD1-CB 4.08Å; L73-V131 HydrophobicContact CD1-CG1 3.52Å; L73-K132 HydrophobicContact CD2-CB 4.48Å; L73-L135 HydrophobicContact CB-CD2 3.96Å
74L94.3Very high94.3Very high0 Ų049 Ų490%028%0.275CS..Hα-helixtrans-61.4-28.6176.9-74.8165.5000113.1E49 V66 C70 G76 L77 H81 V83 L135 Y139E49-L74 HydrophobicContact CG-CD1 4.43Å; V66-L74 HydrophobicContact CB-CD1 4.48Å; V66-L74 HydrophobicContact CG1-CD1 4Å; V66-L74 HydrophobicContact CG2-CD1 4.17Å; C70-L74 WeakPolarHBondContact O-CB 3.35Å; C70-L74 WeakPolarHBondContact O-CD1 3.45Å; C70-L74 VanDerWaalsContact O-CG 3.25Å; C70-L74 WeakPolarHBondContact O-CG 3.42Å; C70-L74 PolarHBondContact O-N 3.22Å; L74-G76 VanDerWaalsContact C-N 3.3Å; L74-L77 HydrophobicContact CD2-CD1 4.01Å; L74-H81 HydrophobicContact CB-CB 4.07Å; L74-H81 WeakPolarHBondContact O-CB 3.44Å; L74-H81 PolarHBondContact O-N 2.8Å; L74-H81 VanDerWaalsContact O-N 3.09Å; L74-V83 HydrophobicContact CD1-CG1 4.43Å; L74-L135 HydrophobicContact CD2-CD2 3.72Å; L74-L135 HydrophobicContact CD2-CG 4.41Å; L74-L135 HydrophobicContact CG-CD2 3.83Å; L74-Y139 HydrophobicContact CD2-CD2 4.07Å; L74-Y139 HydrophobicContact CD2-CE2 3.64Å
75R95.1Very high94.3Very high163 Ų16349.6 Ų49.662%0.61528%0.278SS*.THydrogen-bonded Turntrans-76.5-15.7172.2-69.1168.765.8-103.61.2113.6S71 G72 L73 V83S71-R75 WeakPolarHBondContact O-CD 3.32Å; S71-R75 VanDerWaalsContact O-CG 3.3Å; S71-R75 WeakPolarHBondContact O-CG 3.27Å; S71-R75 PolarHBondContact O-N 3Å; G72-R75 PolarHBondContact O-N 3.34Å; L73-R75 PolarHBondContact O-N 3.47Å; R75-V83 HydrophobicContact CG-CG2 3.48Å; R75-V83 VanDerWaalsContact CG-CG2 3.48Å
76G92.6Very high94.3Very high46 Ų4650.2 Ų50.247%0.47428%0.282SS..THydrogen-bonded Turntrans-97.89.8178.900000114.5L73 L74L73-G76 WeakPolarHBondContact O-CA 3.16Å; L73-G76 PolarHBondContact O-N 3.06Å; L74-G76 VanDerWaalsContact C-N 3.3Å
77L92.6Very high94.1Very high7 Ų753.9 Ų53.94%0.03731%0.308CS..SBendtrans-87163.5170.2-58.3179.2000111L74 P79 P80 L135 Q136 Y139 E140L74-L77 HydrophobicContact CD2-CD1 4.01Å; L77-P79 CarbonylContact O-C 3.31Å; L77-P79 VanDerWaalsContact O-C 3.31Å; L77-P80 VanDerWaalsContact O-CA 3.24Å; L77-P80 WeakPolarHBondContact O-CA 3.26Å; L77-P80 VanDerWaalsContact O-N 3.14Å; L77-L135 HydrophobicContact CD1-CB 4.24Å; L77-L135 HydrophobicContact CD1-CD2 4.47Å; L77-L135 HydrophobicContact CD2-CB 3.99Å; L77-Q136 HydrophobicContact CD2-CG 3.62Å; L77-Y139 HydrophobicContact CD1-CD2 3.88Å; L77-Y139 HydrophobicContact CD1-CG 4.29Å; L77-E140 WeakPolarHBondContact CA-OE1 3.27Å
78N91.4Very high94Very high132 Ų13261.1 Ų61.171%0.70634%0.342SS*.SBendtrans-125.1108.5174.6-17325.1000111.1E140N78-E140 PolarHBondContact N-OE1 3.11Å
79P91.9Very high93.9Very high98 Ų9859.8 Ų59.864%0.63633%0.334SS*.SBendcis-74150.43.930.7-36.2000113.4L77L77-P79 CarbonylContact O-C 3.31Å; L77-P79 VanDerWaalsContact O-C 3.31Å
80P93.5Very high93.9Very high82 Ų8259.5 Ų59.553%0.53233%0.332SS..PPolyproline II helixtrans-73.6137.8-177.529.2-35.6000112.3L77L77-P80 VanDerWaalsContact O-CA 3.24Å; L77-P80 WeakPolarHBondContact O-CA 3.26Å; L77-P80 VanDerWaalsContact O-N 3.14Å
81H95.7Very high94Very high20 Ų2059.4 Ų59.49%0.09333%0.332CS..PPolyproline II helixtrans-79.6143-178.9-73.9-142000112.6D59 V62 L74 V83 Y139D59-H81 IonicContact OD1-ND1 2.72Å; D59-H81 IonicContact OD2-CE1 3.6Å; D59-H81 IonicContact OD2-CG 3.67Å; D59-H81 IonicContact OD2-ND1 3.88Å; D59-H81 PolarHBondContact OD2-ND1 3.16Å; V62-H81 VanDerWaalsContact CG2-CE1 3.45Å; V62-H81 WeakPolarHBondContact CG2-CE1 3.23Å; L74-H81 HydrophobicContact CB-CB 4.07Å; L74-H81 WeakPolarHBondContact O-CB 3.44Å; L74-H81 PolarHBondContact O-N 2.8Å; L74-H81 VanDerWaalsContact O-N 3.09Å; H81-V83 PolarHBondContact O-N 3.36Å; H81-Y139 AromaticContact CE1-CD1 3.5Å; H81-Y139 VanDerWaalsContact CE1-CD1 3.5Å; H81-Y139 WeakPolarHBondContact CE1-CD1 3.49Å; H81-Y139 AromaticContact CE1-CE1 3.8Å; H81-Y139 AromaticContact CE1-CG 3.64Å; H81-Y139 AromaticContact NE2-CG 3.85Å
82R95.4Very high94Very high147 Ų14762.6 Ų62.656%0.55535%0.35SS*.  trans-85.983.9-178.4-68.3179.665.5-122.3-2.4111.2I60 T61 E95I60-R82 HydrophobicContact CB-CB 4.42Å; I60-R82 WeakPolarHBondContact CB-O 3.29Å; I60-R82 PolarHBondContact N-O 2.91Å; T61-R82 PolarHBondContact OG1-N 3.07Å; R82-E95 IonicContact NH2-OE1 3.92Å
83V96.8Very high93.9Very high31 Ų3166 Ų6619%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-87.9139174.9-740000113.5V58 D59 L74 R75 H81V58-V83 CarbonylContact O-C 3.56Å; V58-V83 VanDerWaalsContact O-CA 3.22Å; V58-V83 WeakPolarHBondContact O-CA 3.33Å; D59-V83 HydrophobicContact CB-CG1 3.97Å; L74-V83 HydrophobicContact CD1-CG1 4.43Å; R75-V83 HydrophobicContact CG-CG2 3.48Å; R75-V83 VanDerWaalsContact CG-CG2 3.48Å; H81-V83 PolarHBondContact O-N 3.36Å
84K96.1Very high94Very high38 Ų3868.7 Ų68.717%0.16538%0.376CS..EExtended strand (participates in β ladder)trans-119.7153.2173.7-72.7-169.3166.2-168.10111.1Y57 V58 I60 T89 T90 F91 E95Y57-K84 CarbonylContact C-O 3.57Å; Y57-K84 WeakPolarHBondContact CA-O 3.48Å; Y57-K84 WeakPolarHBondContact CB-O 3.48Å; Y57-K84 WeakPolarHBondContact CD1-O 3.24Å; V58-K84 PolarHBondContact N-O 3.45Å; V58-K84 PolarHBondContact O-N 2.89Å; I60-K84 HydrophobicContact CD1-CD 4.37Å; I60-K84 HydrophobicContact CG1-CB 4.42Å; I60-K84 HydrophobicContact CG1-CD 4.03Å; I60-K84 HydrophobicContact CG1-CG 3.97Å; K84-T89 HydrophobicContact CB-CG2 4.07Å; K84-T89 HydrophobicContact CD-CG2 3.74Å; K84-T89 HydrophobicContact CG-CG2 3.88Å; K84-T90 PolarHBondContact NZ-O 2.93Å; K84-F91 HydrophobicContact CB-CE1 3.77Å; K84-F91 HydrophobicContact CB-CZ 3.95Å; K84-F91 HydrophobicContact CD-CD1 3.95Å; K84-F91 HydrophobicContact CD-CE1 3.79Å; K84-F91 HydrophobicContact CD-CZ 4.48Å; K84-F91 HydrophobicContact CG-CE1 4.41Å; K84-E95 VanDerWaalsContact CE-OE1 3.27Å; K84-E95 WeakPolarHBondContact CE-OE1 3.4Å; K84-E95 IonicContact NZ-OE1 2.99Å; K84-E95 PolarHBondContact NZ-OE1 2.94Å; K84-E95 IonicContact NZ-OE2 2.67Å; K84-E95 PolarHBondContact NZ-OE2 2.87Å
85S96.1Very high94Very high11 Ų1169.8 Ų69.88%0.07738%0.381CS..EExtended strand (participates in β ladder)trans-83.1131.5173.9173.90000110.8S87 M88 T89 F91S85-S87 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact OG-N 3.38Å; S85-M88 PolarHBondContact OG-N 3.27Å; S85-T89 PolarHBondContact N-OG1 2.83Å; S85-T89 VanDerWaalsContact N-OG1 3.09Å; S85-T89 WeakPolarHBondContact O-CB 3.37Å; S85-T89 PolarHBondContact O-N 3Å; S85-T89 PolarHBondContact O-OG1 3.24Å; S85-F91 WeakPolarHBondContact O-CZ 3.45Å
86I94.7Very high94Very high13 Ų1362 Ų627%0.06735%0.352CS..THydrogen-bonded Turntrans-61.5-31.1175.8-65.1170.9000111.3V33 R34 V55 T56 V58 F65V33-I86 HydrophobicContact CG1-CG1 4.33Å; V33-I86 HydrophobicContact CG1-CG2 4.44Å; R34-I86 HydrophobicContact CB-CG2 4.43Å; R34-I86 HydrophobicContact CG-CG2 3.54Å; R34-I86 PolarHBondContact NE-O 3.23Å; V55-I86 HydrophobicContact CB-CD1 4.39Å; V55-I86 HydrophobicContact CG2-CD1 4.14Å; T56-I86 WeakPolarHBondContact O-CB 3.42Å; T56-I86 PolarHBondContact O-N 3.4Å; V58-I86 HydrophobicContact CG2-CD1 4.07Å; V58-I86 HydrophobicContact CG2-CG1 3.44Å; V58-I86 VanDerWaalsContact CG2-CG1 3.44Å; F65-I86 HydrophobicContact CD1-CD1 4.08Å
87S92.1Very high94.1Very high78 Ų7863.4 Ų63.455%0.54535%0.351SS..THydrogen-bonded Turntrans-99.5-24.2-172.7-64.20000114.4R34 S85R34-S87 PolarHBondContact NH2-O 3.2Å; R34-S87 VanDerWaalsContact NH2-O 3.12Å; S85-S87 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact OG-N 3.38Å
88M92.3Very high94.1Very high162 Ų16266 Ų6680%0.79836%0.362SS*.THydrogen-bonded Turntrans-123.4-0.8-166.7-54169.769.300114.6S85S85-M88 PolarHBondContact OG-N 3.27Å
89T93.7Very high94.2Very high48 Ų4859.8 Ų59.829%0.29433%0.329SS..SBendtrans-123.6139.3-176.4-46.60000110.3K84 S85 F91K84-T89 HydrophobicContact CB-CG2 4.07Å; K84-T89 HydrophobicContact CD-CG2 3.74Å; K84-T89 HydrophobicContact CG-CG2 3.88Å; S85-T89 PolarHBondContact N-OG1 2.83Å; S85-T89 VanDerWaalsContact N-OG1 3.09Å; S85-T89 WeakPolarHBondContact O-CB 3.37Å; S85-T89 PolarHBondContact O-N 3Å; S85-T89 PolarHBondContact O-OG1 3.24Å; T89-F91 VanDerWaalsContact O-CD2 3.28Å; T89-F91 WeakPolarHBondContact O-CD2 3.42Å; T89-F91 WeakPolarHBondContact O-CE2 3.43Å
90T92.7Very high94.2Very high90 Ų9059 Ų5955%0.55232%0.316SS*.  trans-75.3143.1171490000111.1K84K84-T90 PolarHBondContact NZ-O 2.93Å
91F94.9Very high94.1Very high3 Ų358.4 Ų58.41%0.01332%0.315CS..  trans-113.6141177.4-63.5-91.4000109.5W29 V33 V58 I60 K84 S85 T89 V96W29-F91 HydrophobicContact CB-CB 4.42Å; W29-F91 WeakPolarHBondContact CB-O 3.46Å; V33-F91 HydrophobicContact CB-CD2 4.23Å; V33-F91 HydrophobicContact CB-CE2 4.25Å; V33-F91 HydrophobicContact CG1-CD2 4.43Å; V33-F91 HydrophobicContact CG1-CE1 4.19Å; V33-F91 HydrophobicContact CG1-CE2 4Å; V33-F91 HydrophobicContact CG1-CZ 3.88Å; V33-F91 HydrophobicContact CG2-CB 4.21Å; V33-F91 HydrophobicContact CG2-CD1 4Å; V33-F91 HydrophobicContact CG2-CD2 3.98Å; V33-F91 HydrophobicContact CG2-CE1 4.37Å; V33-F91 HydrophobicContact CG2-CE2 4.37Å; V33-F91 HydrophobicContact CG2-CG 3.79Å; V58-F91 HydrophobicContact CB-CE1 4.38Å; V58-F91 HydrophobicContact CG2-CE1 4.26Å; V58-F91 HydrophobicContact CG2-CZ 4.21Å; I60-F91 HydrophobicContact CD1-CD1 4.33Å; I60-F91 HydrophobicContact CD1-CE1 4.13Å; K84-F91 HydrophobicContact CB-CE1 3.77Å; K84-F91 HydrophobicContact CB-CZ 3.95Å; K84-F91 HydrophobicContact CD-CD1 3.95Å; K84-F91 HydrophobicContact CD-CE1 3.79Å; K84-F91 HydrophobicContact CD-CZ 4.48Å; K84-F91 HydrophobicContact CG-CE1 4.41Å; S85-F91 WeakPolarHBondContact O-CZ 3.45Å; T89-F91 VanDerWaalsContact O-CD2 3.28Å; T89-F91 WeakPolarHBondContact O-CD2 3.42Å; T89-F91 WeakPolarHBondContact O-CE2 3.43Å; F91-V96 HydrophobicContact CB-CG2 3.68Å
92T94Very high93.8Very high73 Ų7359.9 Ų59.945%0.44832%0.319SS..  trans-91.2155.5172.564.20000110.4E95 V96T92-E95 PolarHBondContact N-OE2 3.3Å; T92-E95 WeakPolarHBondContact O-CB 3.49Å; T92-E95 PolarHBondContact O-N 2.91Å; T92-E95 WeakPolarHBondContact OG1-CG 3.48Å; T92-V96 PolarHBondContact O-N 3.46Å; T92-V96 VanDerWaalsContact O-N 3.08Å
93E93.5Very high93.6Very high110 Ų11053 Ų5351%0.51429%0.294SS..Hα-helixtrans-44.2-53.7176178.1166.3-158.100114.2W29 E95 V96 V97W29-E93 HydrophobicContact CD2-CB 4.34Å; W29-E93 HydrophobicContact CH2-CB 4.25Å; W29-E93 HydrophobicContact CH2-CG 3.75Å; W29-E93 HydrophobicContact CZ2-CB 3.56Å; W29-E93 HydrophobicContact CZ2-CG 3.46Å; W29-E93 VanDerWaalsContact CZ2-CG 3.46Å; E93-E95 VanDerWaalsContact C-N 3.28Å; E93-E95 PolarHBondContact O-N 2.97Å; E93-V96 PolarHBondContact O-N 2.95Å; E93-V96 VanDerWaalsContact O-N 3.09Å; E93-V97 HydrophobicContact CG-CG2 4.16Å; E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 3.26Å
94P94.9Very high93.4Very high91 Ų9151.5 Ų51.559%0.59129%0.285SS*.Hα-helixtrans-63.7-29.8-179.424.2-35.2000113.5F98P94-F98 VanDerWaalsContact O-CB 3.23Å; P94-F98 WeakPolarHBondContact O-CB 3.39Å; P94-F98 PolarHBondContact O-N 3.41Å
95E94.8Very high93.1Very high23 Ų2352.8 Ų52.811%0.10729%0.291CS..Hα-helixtrans-67.6-43.4173.1-66.9175.3147.700110.8I60 R82 K84 T92 E93 F98 L99I60-E95 HydrophobicContact CD1-CB 4.5Å; I60-E95 HydrophobicContact CG2-CG 4.05Å; R82-E95 IonicContact NH2-OE1 3.92Å; K84-E95 VanDerWaalsContact CE-OE1 3.27Å; K84-E95 WeakPolarHBondContact CE-OE1 3.4Å; K84-E95 IonicContact NZ-OE1 2.99Å; K84-E95 PolarHBondContact NZ-OE1 2.94Å; K84-E95 IonicContact NZ-OE2 2.67Å; K84-E95 PolarHBondContact NZ-OE2 2.87Å; T92-E95 PolarHBondContact N-OE2 3.3Å; T92-E95 WeakPolarHBondContact O-CB 3.49Å; T92-E95 PolarHBondContact O-N 2.91Å; T92-E95 WeakPolarHBondContact OG1-CG 3.48Å; E93-E95 VanDerWaalsContact C-N 3.28Å; E93-E95 PolarHBondContact O-N 2.97Å; E95-F98 PolarHBondContact O-N 2.99Å; E95-L99 WeakPolarHBondContact O-CD1 3.4Å; E95-L99 WeakPolarHBondContact O-CG 3.26Å; E95-L99 PolarHBondContact O-N 3.48Å
96V94.1Very high92.9Very high0 Ų054.7 Ų54.70%030%0.302CS..Hα-helixtrans-70.7-37.4178.5-171.70000111.9W29 R32 V33 L36 F91 T92 E93 L99 Q100W29-V96 HydrophobicContact CB-CG2 3.78Å; W29-V96 HydrophobicContact CD2-CG2 4.4Å; W29-V96 HydrophobicContact CE3-CB 3.92Å; W29-V96 HydrophobicContact CE3-CG1 4.03Å; W29-V96 HydrophobicContact CE3-CG2 4.13Å; W29-V96 HydrophobicContact CG-CG2 4.28Å; R32-V96 HydrophobicContact CB-CG1 4.02Å; R32-V96 HydrophobicContact CG-CG1 3.68Å; V33-V96 HydrophobicContact CG2-CB 4.37Å; V33-V96 HydrophobicContact CG2-CG1 4.07Å; V33-V96 HydrophobicContact CG2-CG2 3.6Å; L36-V96 HydrophobicContact CD1-CG1 4.22Å; F91-V96 HydrophobicContact CB-CG2 3.68Å; T92-V96 PolarHBondContact O-N 3.46Å; T92-V96 VanDerWaalsContact O-N 3.08Å; E93-V96 PolarHBondContact O-N 2.95Å; E93-V96 VanDerWaalsContact O-N 3.09Å; V96-L99 PolarHBondContact O-N 2.89Å; V96-Q100 WeakPolarHBondContact O-CG 3.49Å; V96-Q100 PolarHBondContact O-N 3.33Å
97V94.3Very high92.8Very high74 Ų7454 Ų5445%0.44830%0.299SS..Hα-helixtrans-64.8-43.1174.1172.70000110.9E93 L99 Q100 S101E93-V97 HydrophobicContact CG-CG2 4.16Å; E93-V97 WeakPolarHBondContact O-CG2 3.39Å; E93-V97 PolarHBondContact O-N 3.26Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.91Å; V97-Q100 PolarHBondContact O-N 2.96Å; V97-S101 PolarHBondContact O-N 3.06Å
98F93.9Very high92.8Very high62 Ų6253.9 Ų53.927%0.27229%0.287SS..Hα-helixtrans-57.8-44.5172.9177.5-112.1000111.9I60 P94 E95 S101 R102I60-F98 WeakPolarHBondContact O-CE1 3.45Å; P94-F98 VanDerWaalsContact O-CB 3.23Å; P94-F98 WeakPolarHBondContact O-CB 3.39Å; P94-F98 PolarHBondContact O-N 3.41Å; E95-F98 PolarHBondContact O-N 2.99Å; F98-S101 PolarHBondContact O-N 3.21Å; F98-S101 VanDerWaalsContact O-N 3.15Å; F98-S101 PolarHBondContact O-OG 3.35Å; F98-R102 HydrophobicContact CE2-CG 4.45Å; F98-R102 PolarHBondContact O-N 2.92Å; F98-R102 VanDerWaalsContact O-N 3.15Å
99L93.6Very high92.7Very high2 Ų251.3 Ų51.31%0.0127%0.271CS..Hα-helixtrans-65.6-37.4176.9-69.3164.8000113.3V33 L36 V58 I60 F65 E95 V96 V97 S101 R102 G103V33-L99 HydrophobicContact CG2-CD1 4.18Å; L36-L99 HydrophobicContact CD1-CB 4.49Å; V58-L99 HydrophobicContact CG1-CD1 3.69Å; V58-L99 HydrophobicContact CG1-CD2 3.23Å; V58-L99 HydrophobicContact CG1-CG 4.08Å; I60-L99 HydrophobicContact CD1-CD1 4.02Å; F65-L99 HydrophobicContact CE2-CD2 4.46Å; E95-L99 WeakPolarHBondContact O-CD1 3.4Å; E95-L99 WeakPolarHBondContact O-CG 3.26Å; E95-L99 PolarHBondContact O-N 3.48Å; V96-L99 PolarHBondContact O-N 2.89Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.91Å; L99-S101 VanDerWaalsContact C-N 3.3Å; L99-R102 CarbonylContact O-C 3.5Å; L99-R102 PolarHBondContact O-N 3.41Å; L99-G103 PolarHBondContact O-N 2.81Å
100Q91.4Very high92.7Very high80 Ų8049 Ų4937%0.37426%0.257SS..Hα-helixtrans-65.3-33.6172-73.6-177.599.500112.2L36 V96 V97 R102L36-Q100 HydrophobicContact CD1-CG 3.48Å; L36-Q100 VanDerWaalsContact CD1-CG 3.48Å; L36-Q100 HydrophobicContact CD2-CG 3.86Å; L36-Q100 HydrophobicContact CG-CG 4.27Å; V96-Q100 WeakPolarHBondContact O-CG 3.49Å; V96-Q100 PolarHBondContact O-N 3.33Å; V97-Q100 PolarHBondContact O-N 2.96Å; Q100-R102 VanDerWaalsContact C-N 3.33Å
101S90.8Very high92.6Very high71 Ų7146 Ų4650%0.49724%0.235SC..Hα-helixtrans-75.2-17.4176.881.90000114.6V97 F98 L99V97-S101 PolarHBondContact O-N 3.06Å; F98-S101 PolarHBondContact O-N 3.21Å; F98-S101 VanDerWaalsContact O-N 3.15Å; F98-S101 PolarHBondContact O-OG 3.35Å; L99-S101 VanDerWaalsContact C-N 3.3Å
102R89.6Confident92.3Very high51 Ų5147.8 Ų47.819%0.19225%0.245CC..  trans-117.1-101.3-179.5-70.8-166.8171.9-159.4-2112.2V62 F98 L99 Q100 V106V62-R102 WeakPolarHBondContact O-CD 3.47Å; V62-R102 PolarHBondContact O-NH1 3.19Å; F98-R102 HydrophobicContact CE2-CG 4.45Å; F98-R102 PolarHBondContact O-N 2.92Å; F98-R102 VanDerWaalsContact O-N 3.15Å; L99-R102 CarbonylContact O-C 3.5Å; L99-R102 PolarHBondContact O-N 3.41Å; Q100-R102 VanDerWaalsContact C-N 3.33Å; R102-V106 HydrophobicContact CB-CB 4.43Å; R102-V106 HydrophobicContact CG-CG1 4.32Å; R102-V106 VanDerWaalsContact O-CG2 3.26Å; R102-V106 WeakPolarHBondContact O-CG2 3.25Å
103G90.3Very high91.9Very high1 Ų146.3 Ų46.31%0.0124%0.244CC..Hα-helixtrans73.4172.5-167.200000113.2G63 L99 E105 V106 C107G63-G103 PolarHBondContact O-N 3.23Å; L99-G103 PolarHBondContact O-N 2.81Å; G103-E105 VanDerWaalsContact C-N 3.26Å; G103-E105 PolarHBondContact O-N 3.25Å; G103-V106 PolarHBondContact O-N 3.42Å; G103-C107 PolarHBondContact O-N 2.94Å; G103-C107 PolarHBondContact O-SG 3.15Å; G103-C107 VanDerWaalsContact O-SG 3.4Å
104N93.1Very high91.4Very high0 Ų046.9 Ų46.90%025%0.25CC..Hα-helixtrans-64.5-28.1-167.3-72.42000113.2N44 H46 F48 S64 F65 R108N44-N104 WeakPolarHBondContact OD1-CB 3.45Å; N44-N104 PolarHBondContact OD1-N 3.43Å; H46-N104 PolarHBondContact O-ND2 3.24Å; F48-N104 HydrophobicContact CD2-CB 4.42Å; S64-N104 WeakPolarHBondContact CA-OD1 3.5Å; S64-N104 WeakPolarHBondContact CB-OD1 3.31Å; F65-N104 PolarHBondContact N-OD1 2.73Å; F65-N104 PolarHBondContact O-ND2 2.91Å; N104-R108 WeakPolarHBondContact O-CB 3.37Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 2.9Å
105E91.1Very high90.9Very high66 Ų6644.4 Ų44.431%0.30823%0.23SC..Hα-helixtrans-69.4-41.1176.6-177.455.1-157.800113.7A42 G103 R108 K109A42-E105 WeakPolarHBondContact O-CB 3.47Å; A42-E105 PolarHBondContact O-N 3.43Å; G103-E105 VanDerWaalsContact C-N 3.26Å; G103-E105 PolarHBondContact O-N 3.25Å; E105-R108 VanDerWaalsContact CA-NH2 3.26Å; E105-R108 IonicContact OE2-CZ 3.23Å; E105-R108 VanDerWaalsContact OE2-CZ 3.23Å; E105-R108 IonicContact OE2-NE 2.89Å; E105-R108 PolarHBondContact OE2-NE 2.95Å; E105-R108 IonicContact OE2-NH2 2.71Å; E105-R108 PolarHBondContact OE2-NH2 3.13Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact OE1-CE 3.22Å; E105-K109 WeakPolarHBondContact OE1-CE 3.4Å; E105-K109 IonicContact OE1-NZ 2.66Å; E105-K109 PolarHBondContact OE1-NZ 3.03Å
106V91.4Very high90Very high50 Ų5046.5 Ų46.530%0.30324%0.242SC..Hα-helixtrans-72-40.8174.6179.30000109.7R102 G103 R108 K109 I110R102-V106 HydrophobicContact CB-CB 4.43Å; R102-V106 HydrophobicContact CG-CG1 4.32Å; R102-V106 VanDerWaalsContact O-CG2 3.26Å; R102-V106 WeakPolarHBondContact O-CG2 3.25Å; G103-V106 PolarHBondContact O-N 3.42Å; V106-R108 VanDerWaalsContact C-N 3.35Å; V106-R108 PolarHBondContact O-N 3.05Å; V106-K109 PolarHBondContact O-N 3.41Å; V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 WeakPolarHBondContact O-CG1 3.4Å; V106-I110 PolarHBondContact O-N 3.41Å
107C92.7Very high88.8Confident0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-64.5-34.3177-67.60000113F48 V62 G63 G103 I110 W111F48-C107 HydrophobicContact CD1-CB 4.35Å; F48-C107 HydrophobicContact CE1-CB 3.83Å; F48-C107 HydrophobicContact CE2-CB 4.07Å; F48-C107 HydrophobicContact CZ-CB 3.72Å; F48-C107 VanDerWaalsContact CZ-O 3.24Å; F48-C107 WeakPolarHBondContact CZ-O 3.4Å; V62-C107 HydrophobicContact CG1-CB 4.23Å; V62-C107 PolarHBondContact O-SG 3.34Å; V62-C107 VanDerWaalsContact O-SG 3.38Å; G63-C107 PolarHBondContact O-SG 2.7Å; G63-C107 VanDerWaalsContact O-SG 3.37Å; G103-C107 PolarHBondContact O-N 2.94Å; G103-C107 PolarHBondContact O-SG 3.15Å; G103-C107 VanDerWaalsContact O-SG 3.4Å; C107-I110 PolarHBondContact O-N 3.48Å; C107-W111 PolarHBondContact O-N 2.76Å
108R90.8Very high87.2Confident75 Ų7557.3 Ų57.328%0.28329%0.29SS..Hα-helixtrans-55.5-53.1169-85.7-176.1-72.8-82.70.7110.8A42 F48 N104 E105 V106 I110 L112A42-R108 PolarHBondContact O-NH2 3.33Å; A42-R108 VanDerWaalsContact O-NH2 3.15Å; F48-R108 HydrophobicContact CD2-CG 4.25Å; F48-R108 HydrophobicContact CE2-CB 4.27Å; F48-R108 HydrophobicContact CE2-CG 3.71Å; N104-R108 WeakPolarHBondContact O-CB 3.37Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 2.9Å; E105-R108 VanDerWaalsContact CA-NH2 3.26Å; E105-R108 IonicContact OE2-CZ 3.23Å; E105-R108 VanDerWaalsContact OE2-CZ 3.23Å; E105-R108 IonicContact OE2-NE 2.89Å; E105-R108 PolarHBondContact OE2-NE 2.95Å; E105-R108 IonicContact OE2-NH2 2.71Å; E105-R108 PolarHBondContact OE2-NH2 3.13Å; V106-R108 VanDerWaalsContact C-N 3.35Å; V106-R108 PolarHBondContact O-N 3.05Å; R108-I110 VanDerWaalsContact C-N 3.28Å; R108-I110 PolarHBondContact O-N 3.02Å; R108-L112 CarbonylContact O-C 3.36Å; R108-L112 VanDerWaalsContact O-CA 3.29Å; R108-L112 WeakPolarHBondContact O-CA 3.3Å; R108-L112 VanDerWaalsContact O-CB 3.3Å; R108-L112 WeakPolarHBondContact O-CB 3.47Å; R108-L112 PolarHBondContact O-N 3.39Å
109K91.4Very high85.5Confident107 Ų10759.7 Ų59.747%0.46531%0.31SS..Hα-helixtrans-65.1-29.5-178-69.9160.5170.4150.20113.5E105 V106 G113 V151E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 VanDerWaalsContact OE1-CE 3.22Å; E105-K109 WeakPolarHBondContact OE1-CE 3.4Å; E105-K109 IonicContact OE1-NZ 2.66Å; E105-K109 PolarHBondContact OE1-NZ 3.03Å; V106-K109 PolarHBondContact O-N 3.41Å; K109-G113 VanDerWaalsContact O-CA 3.25Å; K109-G113 WeakPolarHBondContact O-CA 3.43Å; K109-V151 HydrophobicContact CB-CG1 3.54Å; K109-V151 HydrophobicContact CB-CG2 4.41Å; K109-V151 HydrophobicContact CD-CG1 4.48Å; K109-V151 WeakPolarHBondContact O-CG2 3.26Å
110I92.6Very high83.9Confident1 Ų160.5 Ų60.51%0.00532%0.316CS..Hα-helixtrans-77.5-55.2175.6-67.6169.3000111.8V106 C107 R108 Y145 V146 P148 V151V106-I110 HydrophobicContact CG1-CD1 3.82Å; V106-I110 WeakPolarHBondContact O-CG1 3.4Å; V106-I110 PolarHBondContact O-N 3.41Å; C107-I110 PolarHBondContact O-N 3.48Å; R108-I110 VanDerWaalsContact C-N 3.28Å; R108-I110 PolarHBondContact O-N 3.02Å; I110-Y145 HydrophobicContact CG2-CD2 3.83Å; I110-Y145 HydrophobicContact CG2-CE2 3.46Å; I110-Y145 VanDerWaalsContact CG2-CE2 3.46Å; I110-Y145 CarbonylContact O-C 3.54Å; I110-Y145 WeakPolarHBondContact O-CA 3.36Å; I110-V146 PolarHBondContact O-N 2.91Å; I110-P148 HydrophobicContact CD1-CB 3.94Å; I110-P148 HydrophobicContact CG1-CB 4.36Å; I110-V151 HydrophobicContact CG1-CB 4.49Å; I110-V151 HydrophobicContact CG1-CG1 4.46Å; I110-V151 HydrophobicContact CG1-CG2 4.04Å
111W91.5Very high82.4Confident26 Ų2664.1 Ų64.110%0.09834%0.337CS..Hα-helixtrans-95.8-9.8-168.8-63.496.9000114.9F48 V62 C107 K138 Y139 K142 W144 Y145F48-W111 HydrophobicContact CE1-CB 4.39Å; F48-W111 HydrophobicContact CZ-CB 4.11Å; V62-W111 HydrophobicContact CG2-CZ2 4.26Å; C107-W111 PolarHBondContact O-N 2.76Å; W111-K138 HydrophobicContact CB-CG 4.32Å; W111-Y139 AromaticContact CD2-CD1 3.78Å; W111-Y139 HydrophobicContact CD2-CD1 3.78Å; W111-Y139 AromaticContact CD2-CE1 3.54Å; W111-Y139 HydrophobicContact CD2-CE1 3.54Å; W111-Y139 AromaticContact CE2-CE1 3.8Å; W111-Y139 AromaticContact CE3-CD1 3.47Å; W111-Y139 HydrophobicContact CE3-CD1 3.47Å; W111-Y139 VanDerWaalsContact CE3-CD1 3.47Å; W111-Y139 AromaticContact CE3-CE1 3.74Å; W111-Y139 HydrophobicContact CE3-CE1 3.74Å; W111-Y139 AromaticContact CG-CE1 3.91Å; W111-Y139 HydrophobicContact CG-CE1 3.91Å; W111-Y139 AromaticContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CE1 4.4Å; W111-Y139 HydrophobicContact CZ2-CD1 4.12Å; W111-Y139 HydrophobicContact CZ2-CE1 4.23Å; W111-Y139 AromaticContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CE1 4.18Å; W111-Y139 HydrophobicContact CZ3-CG 4.47Å; W111-K142 HydrophobicContact CZ3-CG 4.31Å; W111-W144 CarbonylContact C-O 3.47Å; W111-Y145 AromaticContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CE2 4.3Å; W111-Y145 AromaticContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CE2 4.28Å; W111-Y145 HydrophobicContact CE3-CG 4.36Å; W111-Y145 AromaticContact CH2-CD2 3.84Å; W111-Y145 HydrophobicContact CH2-CD2 3.84Å; W111-Y145 AromaticContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CZ2-CD2 4.11Å; W111-Y145 AromaticContact CZ2-CE2 3.9Å; W111-Y145 HydrophobicContact CZ2-CE2 3.9Å; W111-Y145 AromaticContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CE2 4.07Å; W111-Y145 HydrophobicContact CZ3-CG 4.28Å
112L88.8Confident81.1Confident41 Ų4165 Ų6522%0.21534%0.339CS..SBendtrans-13021.8177.9-58.9172.5000110.2F48 R108 L114 F115 F134 K138F48-L112 HydrophobicContact CE2-CD1 4.31Å; R108-L112 CarbonylContact O-C 3.36Å; R108-L112 VanDerWaalsContact O-CA 3.29Å; R108-L112 WeakPolarHBondContact O-CA 3.3Å; R108-L112 VanDerWaalsContact O-CB 3.3Å; R108-L112 WeakPolarHBondContact O-CB 3.47Å; R108-L112 PolarHBondContact O-N 3.39Å; L112-L114 VanDerWaalsContact C-N 3.25Å; L112-L114 PolarHBondContact O-N 3.23Å; L112-F115 HydrophobicContact CB-CB 3.75Å; L112-F115 HydrophobicContact CB-CG 4.37Å; L112-F115 HydrophobicContact CD2-CB 3.92Å; L112-F115 HydrophobicContact CD2-CD1 4.45Å; L112-F115 HydrophobicContact CD2-CD2 3.89Å; L112-F115 HydrophobicContact CD2-CG 3.84Å; L112-F115 HydrophobicContact CG-CB 4.44Å; L112-F115 WeakPolarHBondContact O-CB 3.12Å; L112-F115 PolarHBondContact O-N 2.79Å; L112-F134 HydrophobicContact CD2-CZ 4.27Å; L112-K138 HydrophobicContact CD2-CD 4.3Å
113G86.1Confident79.9Confident41 Ų4163.9 Ų63.942%0.42334%0.338SS..THydrogen-bonded Turntrans-66.3-25.9-175.800000114K109 W144K109-G113 VanDerWaalsContact O-CA 3.25Å; K109-G113 WeakPolarHBondContact O-CA 3.43Å; G113-W144 PolarHBondContact N-O 3.37Å
114L83.3Confident78.7Confident123 Ų12368.1 Ų68.164%0.64436%0.361SS*.THydrogen-bonded Turntrans-108.411.6172.4-56.1173.9000112.6L112 D116 W144 V146L112-L114 VanDerWaalsContact C-N 3.25Å; L112-L114 PolarHBondContact O-N 3.23Å; L114-D116 PolarHBondContact O-N 2.8Å; L114-W144 HydrophobicContact CB-CB 4.44Å; L114-V146 HydrophobicContact CD1-CG2 4.37Å; L114-V146 HydrophobicContact CD2-CG2 4.29Å; L114-V146 HydrophobicContact CG-CG2 3.81Å
115F82.8Confident77.3Confident38 Ų3870.8 Ų70.817%0.16738%0.38CS..  trans-86.2107.4-177.4-177.7-88.5000110.5L112 A117 S120 V122 F134 W144L112-F115 HydrophobicContact CB-CB 3.75Å; L112-F115 HydrophobicContact CB-CG 4.37Å; L112-F115 HydrophobicContact CD2-CB 3.92Å; L112-F115 HydrophobicContact CD2-CD1 4.45Å; L112-F115 HydrophobicContact CD2-CD2 3.89Å; L112-F115 HydrophobicContact CD2-CG 3.84Å; L112-F115 HydrophobicContact CG-CB 4.44Å; L112-F115 WeakPolarHBondContact O-CB 3.12Å; L112-F115 PolarHBondContact O-N 2.79Å; F115-A117 HydrophobicContact CE1-CB 4.04Å; F115-S120 WeakPolarHBondContact CZ-O 3.34Å; F115-V122 HydrophobicContact CE1-CG2 4.1Å; F115-V122 HydrophobicContact CZ-CG2 3.83Å; F115-F134 HydrophobicContact CD2-CE2 4.45Å; F115-F134 AromaticContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CZ 4.1Å; F115-W144 HydrophobicContact CB-CB 4.11Å; F115-W144 HydrophobicContact CB-CG 3.94Å; F115-W144 AromaticContact CD2-CD2 3.79Å; F115-W144 HydrophobicContact CD2-CD2 3.79Å; F115-W144 AromaticContact CD2-CE2 3.69Å; F115-W144 HydrophobicContact CD2-CE3 4.26Å; F115-W144 HydrophobicContact CD2-CG 4.08Å; F115-W144 HydrophobicContact CD2-CZ2 4.1Å; F115-W144 AromaticContact CD2-NE1 3.88Å; F115-W144 HydrophobicContact CE2-CZ2 4.27Å
116D75.6Confident76.3Confident67 Ų6777.9 Ų77.936%0.35840%0.404SS..  trans-88.5116.9167.216442.9000110.6L114 R118 T119 S120L114-D116 PolarHBondContact O-N 2.8Å; D116-R118 PolarHBondContact O-N 3.29Å; D116-R118 WeakPolarHBondContact OD1-CB 3.46Å; D116-R118 PolarHBondContact OD1-N 3.32Å; D116-T119 WeakPolarHBondContact CB-OG1 3.42Å; D116-T119 PolarHBondContact O-N 2.99Å; D116-T119 PolarHBondContact O-OG1 2.85Å; D116-T119 WeakPolarHBondContact OD2-CB 3.5Å; D116-T119 VanDerWaalsContact OD2-CG2 3.26Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.26Å; D116-T119 PolarHBondContact OD2-N 2.85Å; D116-T119 PolarHBondContact OD2-OG1 2.97Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.83Å
117A69.5Low75.8Confident74 Ų7477.6 Ų77.661%0.61240%0.4SS*.THydrogen-bonded Turntrans-68.6-7.3178.600000114.3F115F115-A117 HydrophobicContact CE1-CB 4.04Å
118R61.6Low75.3Confident228 Ų22881.6 Ų81.686%0.8643%0.426SS*.THydrogen-bonded Turntrans-87.9-27.9173.9-60179.961.1176.3-2.9113.3D116D116-R118 PolarHBondContact O-N 3.29Å; D116-R118 WeakPolarHBondContact OD1-CB 3.46Å; D116-R118 PolarHBondContact OD1-N 3.32Å
119T58Low75Confident112 Ų11282.8 Ų82.869%0.68744%0.435SS*.THydrogen-bonded Turntrans-106.4-30.3179.649.50000113D116D116-T119 WeakPolarHBondContact CB-OG1 3.42Å; D116-T119 PolarHBondContact O-N 2.99Å; D116-T119 PolarHBondContact O-OG1 2.85Å; D116-T119 WeakPolarHBondContact OD2-CB 3.5Å; D116-T119 VanDerWaalsContact OD2-CG2 3.26Å; D116-T119 WeakPolarHBondContact OD2-CG2 3.26Å; D116-T119 PolarHBondContact OD2-N 2.85Å; D116-T119 PolarHBondContact OD2-OG1 2.97Å
120S59.6Low74.8Confident19 Ų1983.2 Ų83.213%0.13344%0.437CS..SBendtrans-100.9101.6178.1-55.60000109.5F115 D116 V122F115-S120 WeakPolarHBondContact CZ-O 3.34Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.83Å; S120-V122 PolarHBondContact O-N 2.73Å
121L58.9Low74.5Confident155 Ų15583.8 Ų83.881%0.81244%0.44SS*.PPolyproline II helixtrans-63.2118.6175.8-65.4176.6000109.9
122V64.1Low74.3Confident90 Ų9085.9 Ų85.955%0.54545%0.45SS..PPolyproline II helixtrans-60.3127.3164.6179.80000107.3F115 S120F115-V122 HydrophobicContact CE1-CG2 4.1Å; F115-V122 HydrophobicContact CZ-CG2 3.83Å; S120-V122 PolarHBondContact O-N 2.73Å
123P65.4Low74.4Confident27 Ų2788.3 Ų88.318%0.17546%0.46CS..PPolyproline II helixtrans-57.8143.4-179.5-23.131.3000111.8S125 K130 V131 F134P123-S125 PolarHBondContact O-N 3.41Å; P123-K130 HydrophobicContact CB-CB 4.28Å; P123-V131 HydrophobicContact CB-CG2 4.05Å; P123-F134 HydrophobicContact CG-CB 3.4Å; P123-F134 VanDerWaalsContact CG-CB 3.4Å; P123-F134 HydrophobicContact CG-CD1 3.96Å; P123-F134 HydrophobicContact CG-CD2 4.23Å; P123-F134 HydrophobicContact CG-CG 3.6Å
124D64.8Low74.5Confident90 Ų9087.5 Ų87.548%0.48145%0.445SS..PPolyproline II helixtrans-60.4116.5165.8-176.7-7.6000108.4R126 D127D124-R126 PolarHBondContact O-N 3.09Å; D124-R126 WeakPolarHBondContact OD1-CB 3.39Å; D124-R126 VanDerWaalsContact OD1-CG 3.31Å; D124-R126 WeakPolarHBondContact OD1-CG 3.17Å; D124-R126 PolarHBondContact OD1-N 3.28Å; D124-R126 WeakPolarHBondContact OD2-CD 3.19Å; D124-D127 PolarHBondContact O-N 3.38Å
125S64.4Low74.9Confident57 Ų5781.7 Ų81.740%0.39942%0.415SS..THydrogen-bonded Turntrans-57.3-9-179.164.90000114.9Q52 P123Q52-S125 PolarHBondContact NE2-OG 2.87Å; P123-S125 PolarHBondContact O-N 3.41Å
126R69Low75.4Confident215 Ų21582.4 Ų82.481%0.81142%0.419SS*.THydrogen-bonded Turntrans-73.6-23.7172.6-68.3170.4166.6-178.9-5114.2D124 P128D124-R126 PolarHBondContact O-N 3.09Å; D124-R126 WeakPolarHBondContact OD1-CB 3.39Å; D124-R126 VanDerWaalsContact OD1-CG 3.31Å; D124-R126 WeakPolarHBondContact OD1-CG 3.17Å; D124-R126 PolarHBondContact OD1-N 3.28Å; D124-R126 WeakPolarHBondContact OD2-CD 3.19Å; R126-P128 WeakPolarHBondContact O-CD 3.35Å
127D81.1Confident76.1Confident44 Ų4481.1 Ų81.124%0.23541%0.41CS..  trans-104.3101.7-176.3-172.5-33.1000111.1D124 Q129 K130 V131D124-D127 PolarHBondContact O-N 3.38Å; D127-Q129 PolarHBondContact O-N 2.84Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.43Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; D127-K130 HydrophobicContact CB-CB 4.14Å; D127-K130 HydrophobicContact CB-CD 4.27Å; D127-K130 HydrophobicContact CB-CG 4.26Å; D127-K130 PolarHBondContact O-N 3.09Å; D127-K130 PolarHBondContact OD1-N 2.72Å; D127-K130 WeakPolarHBondContact OD2-CD 3.43Å; D127-K130 WeakPolarHBondContact OD2-CE 3.21Å; D127-K130 WeakPolarHBondContact OD2-CG 3.48Å; D127-K130 IonicContact OD2-NZ 2.64Å; D127-K130 PolarHBondContact OD2-NZ 2.87Å; D127-V131 VanDerWaalsContact O-CG2 3.29Å; D127-V131 WeakPolarHBondContact O-CG2 3.37Å; D127-V131 PolarHBondContact O-N 3.27Å
128P81.6Confident77.1Confident83 Ų8377.7 Ų77.754%0.53938%0.382SS..Hα-helixtrans-67.5-23.4-175.928.6-35.4000113.1R126 K132R126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-K132 WeakPolarHBondContact O-CB 3.22Å; P128-K132 PolarHBondContact O-N 2.93Å
129Q85.7Confident78.6Confident101 Ų10167.3 Ų67.347%0.47234%0.343SS..Hα-helixtrans-75.4-46.8178.9178.86121.200110.2D127 V131 K132 E133D127-Q129 PolarHBondContact O-N 2.84Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.43Å; D127-Q129 PolarHBondContact OD1-N 2.95Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.49Å; Q129-K132 WeakPolarHBondContact O-CB 3.28Å; Q129-K132 PolarHBondContact O-N 3.42Å; Q129-K132 VanDerWaalsContact O-N 3.15Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.36Å; Q129-E133 PolarHBondContact NE2-OE1 3.4Å; Q129-E133 WeakPolarHBondContact O-CG 3.21Å; Q129-E133 PolarHBondContact O-N 3.46Å
130K85.8Confident80.2Confident116 Ų11665 Ų6550%0.50432%0.324SS..Hα-helixtrans-63.5-37.4174.1-67.4-175.4-17698.20112.6P123 D127 E133 F134P123-K130 HydrophobicContact CB-CB 4.28Å; D127-K130 HydrophobicContact CB-CB 4.14Å; D127-K130 HydrophobicContact CB-CD 4.27Å; D127-K130 HydrophobicContact CB-CG 4.26Å; D127-K130 PolarHBondContact O-N 3.09Å; D127-K130 PolarHBondContact OD1-N 2.72Å; D127-K130 WeakPolarHBondContact OD2-CD 3.43Å; D127-K130 WeakPolarHBondContact OD2-CE 3.21Å; D127-K130 WeakPolarHBondContact OD2-CG 3.48Å; D127-K130 IonicContact OD2-NZ 2.64Å; D127-K130 PolarHBondContact OD2-NZ 2.87Å; K130-E133 PolarHBondContact O-N 3.33Å; K130-F134 WeakPolarHBondContact O-CB 3.3Å; K130-F134 PolarHBondContact O-N 3.08Å
131V86.8Confident81.7Confident12 Ų1270.6 Ų70.67%0.07335%0.346CS..Hα-helixtrans-64.4-42173.3176.90000110.5L73 P123 D127 Q129 F134 L135L73-V131 HydrophobicContact CD1-CB 4.08Å; L73-V131 HydrophobicContact CD1-CG1 3.52Å; P123-V131 HydrophobicContact CB-CG2 4.05Å; D127-V131 VanDerWaalsContact O-CG2 3.29Å; D127-V131 WeakPolarHBondContact O-CG2 3.37Å; D127-V131 PolarHBondContact O-N 3.27Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.49Å; V131-F134 PolarHBondContact O-N 3.14Å; V131-L135 HydrophobicContact CG1-CD1 3.99Å; V131-L135 VanDerWaalsContact O-CD1 3.26Å; V131-L135 WeakPolarHBondContact O-CD1 3.37Å; V131-L135 PolarHBondContact O-N 3.02Å
132K88.3Confident83.2Confident71 Ų7168.6 Ų68.631%0.30933%0.331SS..Hα-helixtrans-59.9-50.5174.1-176.3-174.9174.5-174.10111.8L73 P128 Q129 F134 L135 Q136L73-K132 HydrophobicContact CD2-CB 4.48Å; P128-K132 WeakPolarHBondContact O-CB 3.22Å; P128-K132 PolarHBondContact O-N 2.93Å; Q129-K132 WeakPolarHBondContact O-CB 3.28Å; Q129-K132 PolarHBondContact O-N 3.42Å; Q129-K132 VanDerWaalsContact O-N 3.15Å; K132-F134 VanDerWaalsContact C-N 3.31Å; K132-F134 PolarHBondContact O-N 3.08Å; K132-L135 WeakPolarHBondContact O-CB 3.24Å; K132-L135 PolarHBondContact O-N 3.2Å; K132-L135 VanDerWaalsContact O-N 3.08Å; K132-Q136 WeakPolarHBondContact O-CG 3.49Å; K132-Q136 PolarHBondContact O-N 3.12Å
133E89.3Confident84.3Confident92 Ų9271.5 Ų71.543%0.4333%0.332SS..Hα-helixtrans-58.5-41.7179.9-73166.3-168.400111.9Q129 K130 Q136 E137Q129-E133 WeakPolarHBondContact CG-OE1 3.36Å; Q129-E133 PolarHBondContact NE2-OE1 3.4Å; Q129-E133 WeakPolarHBondContact O-CG 3.21Å; Q129-E133 PolarHBondContact O-N 3.46Å; K130-E133 PolarHBondContact O-N 3.33Å; E133-Q136 WeakPolarHBondContact O-CB 3.48Å; E133-Q136 PolarHBondContact O-N 3.49Å; E133-E137 VanDerWaalsContact O-CG 3.24Å; E133-E137 WeakPolarHBondContact O-CG 3.47Å; E133-E137 PolarHBondContact O-N 3.26Å
134F89.6Confident85.5Confident24 Ų2471 Ų7111%0.10533%0.326CS..Hα-helixtrans-63.9-40.5173.1173.7-108.1000113.2L112 F115 P123 K130 V131 K132 Q136 E137 K138 W144L112-F134 HydrophobicContact CD2-CZ 4.27Å; F115-F134 HydrophobicContact CD2-CE2 4.45Å; F115-F134 AromaticContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CE2 3.78Å; F115-F134 HydrophobicContact CE2-CZ 4.1Å; P123-F134 HydrophobicContact CG-CB 3.4Å; P123-F134 VanDerWaalsContact CG-CB 3.4Å; P123-F134 HydrophobicContact CG-CD1 3.96Å; P123-F134 HydrophobicContact CG-CD2 4.23Å; P123-F134 HydrophobicContact CG-CG 3.6Å; K130-F134 WeakPolarHBondContact O-CB 3.3Å; K130-F134 PolarHBondContact O-N 3.08Å; V131-F134 PolarHBondContact O-N 3.14Å; K132-F134 VanDerWaalsContact C-N 3.31Å; K132-F134 PolarHBondContact O-N 3.08Å; F134-Q136 VanDerWaalsContact C-N 3.3Å; F134-Q136 PolarHBondContact O-N 3.09Å; F134-E137 WeakPolarHBondContact O-CB 3.42Å; F134-E137 PolarHBondContact O-N 3.17Å; F134-K138 HydrophobicContact CE1-CD 4.24Å; F134-K138 HydrophobicContact CZ-CD 4.39Å; F134-K138 VanDerWaalsContact O-CB 3.27Å; F134-K138 WeakPolarHBondContact O-CB 3.18Å; F134-K138 PolarHBondContact O-N 3.33Å; F134-W144 AromaticContact CD2-CH2 3.82Å; F134-W144 HydrophobicContact CD2-CH2 3.82Å; F134-W144 AromaticContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CE2-CE3 4.33Å; F134-W144 AromaticContact CE2-CH2 3.61Å; F134-W144 HydrophobicContact CE2-CH2 3.61Å; F134-W144 AromaticContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CE2-CZ3 3.49Å; F134-W144 VanDerWaalsContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CZ-CZ3 4.38Å
135L91.4Very high86.8Confident1 Ų170.1 Ų70.11%0.00532%0.317CS..Hα-helixtrans-62.6-37.4173.1-96.866000111.5E49 L73 L74 L77 V131 K132 K138 Y139E49-L135 HydrophobicContact CB-CD1 4.19Å; E49-L135 HydrophobicContact CG-CD1 4.13Å; E49-L135 HydrophobicContact CG-CD2 4.41Å; E49-L135 HydrophobicContact CG-CG 4.49Å; E49-L135 WeakPolarHBondContact OE2-CD1 3.21Å; L73-L135 HydrophobicContact CB-CD2 3.96Å; L74-L135 HydrophobicContact CD2-CD2 3.72Å; L74-L135 HydrophobicContact CD2-CG 4.41Å; L74-L135 HydrophobicContact CG-CD2 3.83Å; L77-L135 HydrophobicContact CD1-CB 4.24Å; L77-L135 HydrophobicContact CD1-CD2 4.47Å; L77-L135 HydrophobicContact CD2-CB 3.99Å; V131-L135 HydrophobicContact CG1-CD1 3.99Å; V131-L135 VanDerWaalsContact O-CD1 3.26Å; V131-L135 WeakPolarHBondContact O-CD1 3.37Å; V131-L135 PolarHBondContact O-N 3.02Å; K132-L135 WeakPolarHBondContact O-CB 3.24Å; K132-L135 PolarHBondContact O-N 3.2Å; K132-L135 VanDerWaalsContact O-N 3.08Å; L135-K138 PolarHBondContact O-N 3.39Å; L135-Y139 HydrophobicContact CB-CD2 4.35Å; L135-Y139 HydrophobicContact CG-CD2 4.21Å; L135-Y139 HydrophobicContact CG-CE2 4.16Å; L135-Y139 WeakPolarHBondContact O-CB 3.34Å; L135-Y139 WeakPolarHBondContact O-CD2 3.46Å; L135-Y139 PolarHBondContact O-N 3.09Å
136Q92.1Very high88.1Confident52 Ų5268.4 Ų68.424%0.24330%0.304CS..Iπ-helixtrans-65.8-42.4173.5-64-172.3-75.400111.6L77 K132 E133 F134 K138 E140 K141L77-Q136 HydrophobicContact CD2-CG 3.62Å; K132-Q136 WeakPolarHBondContact O-CG 3.49Å; K132-Q136 PolarHBondContact O-N 3.12Å; E133-Q136 WeakPolarHBondContact O-CB 3.48Å; E133-Q136 PolarHBondContact O-N 3.49Å; F134-Q136 VanDerWaalsContact C-N 3.3Å; F134-Q136 PolarHBondContact O-N 3.09Å; Q136-K138 VanDerWaalsContact C-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.15Å; Q136-E140 HydrophobicContact CB-CG 4.38Å; Q136-E140 WeakPolarHBondContact CB-OE2 3.48Å; Q136-E140 HydrophobicContact CG-CG 4.48Å; Q136-E140 WeakPolarHBondContact CG-OE2 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 2.99Å; Q136-E140 PolarHBondContact NE2-OE2 3.07Å; Q136-E140 WeakPolarHBondContact O-CA 3.43Å; Q136-E140 VanDerWaalsContact O-CB 3.3Å; Q136-E140 WeakPolarHBondContact O-CB 3.45Å; Q136-E140 PolarHBondContact O-N 3.38Å; Q136-K141 PolarHBondContact O-N 2.87Å
137E91.3Very high89Confident40 Ų4060.1 Ų60.119%0.18728%0.278CS..Iπ-helixtrans-59.4-42.5173.1-62.1-110.5125.200112.3E133 F134 K141 K142 R143 W144E133-E137 VanDerWaalsContact O-CG 3.24Å; E133-E137 WeakPolarHBondContact O-CG 3.47Å; E133-E137 PolarHBondContact O-N 3.26Å; F134-E137 WeakPolarHBondContact O-CB 3.42Å; F134-E137 PolarHBondContact O-N 3.17Å; E137-K141 HydrophobicContact CG-CD 4.33Å; E137-K141 CarbonylContact O-C 3.53Å; E137-K141 WeakPolarHBondContact OE1-CD 3.23Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.73Å; E137-K141 PolarHBondContact OE1-NZ 3.23Å; E137-K142 PolarHBondContact O-N 3.01Å; E137-K142 VanDerWaalsContact O-N 3.15Å; E137-R143 VanDerWaalsContact O-CB 3.32Å; E137-R143 WeakPolarHBondContact O-CB 3.47Å; E137-R143 PolarHBondContact O-N 2.99Å; E137-R143 WeakPolarHBondContact OE2-CD 3.41Å; E137-R143 IonicContact OE2-CZ 3.6Å; E137-R143 IonicContact OE2-NE 3.77Å; E137-R143 IonicContact OE2-NH1 2.68Å; E137-R143 PolarHBondContact OE2-NH1 3.18Å; E137-W144 HydrophobicContact CB-CH2 3.94Å; E137-W144 HydrophobicContact CB-CZ3 3.8Å
138K91.1Very high89.2Confident2 Ų260 Ų601%0.00928%0.28CS..Iπ-helixtrans-71.6-44.4-177.4-177178.6174.6-174.50113F48 E49 W111 L112 F134 L135 Q136 K142 W144F48-K138 VanDerWaalsContact CE1-NZ 3.31Å; E49-K138 IonicContact OE1-NZ 3.66Å; E49-K138 PolarHBondContact OE1-NZ 3Å; E49-K138 IonicContact OE2-NZ 2.67Å; E49-K138 PolarHBondContact OE2-NZ 3.17Å; W111-K138 HydrophobicContact CB-CG 4.32Å; L112-K138 HydrophobicContact CD2-CD 4.3Å; F134-K138 HydrophobicContact CE1-CD 4.24Å; F134-K138 HydrophobicContact CZ-CD 4.39Å; F134-K138 VanDerWaalsContact O-CB 3.27Å; F134-K138 WeakPolarHBondContact O-CB 3.18Å; F134-K138 PolarHBondContact O-N 3.33Å; L135-K138 PolarHBondContact O-N 3.39Å; Q136-K138 VanDerWaalsContact C-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.15Å; K138-K142 WeakPolarHBondContact O-CA 3.28Å; K138-W144 HydrophobicContact CB-CE3 4.35Å; K138-W144 HydrophobicContact CB-CZ3 4.25Å
139Y92.3Very high89.4Confident11 Ų1162.5 Ų62.54%0.04329%0.288CS..Iπ-helixtrans-107-40.8-169.7-66.8-65.3000114.5F48 E49 V62 L74 L77 H81 W111 L135 K142F48-Y139 WeakPolarHBondContact CD1-OH 3.33Å; F48-Y139 WeakPolarHBondContact CE1-OH 3.25Å; E49-Y139 PolarHBondContact OE1-OH 3.02Å; V62-Y139 HydrophobicContact CG2-CD1 4.28Å; V62-Y139 HydrophobicContact CG2-CE1 3.63Å; L74-Y139 HydrophobicContact CD2-CD2 4.07Å; L74-Y139 HydrophobicContact CD2-CE2 3.64Å; L77-Y139 HydrophobicContact CD1-CD2 3.88Å; L77-Y139 HydrophobicContact CD1-CG 4.29Å; H81-Y139 AromaticContact CE1-CD1 3.5Å; H81-Y139 VanDerWaalsContact CE1-CD1 3.5Å; H81-Y139 WeakPolarHBondContact CE1-CD1 3.49Å; H81-Y139 AromaticContact CE1-CE1 3.8Å; H81-Y139 AromaticContact CE1-CG 3.64Å; H81-Y139 AromaticContact NE2-CG 3.85Å; W111-Y139 AromaticContact CD2-CD1 3.78Å; W111-Y139 HydrophobicContact CD2-CD1 3.78Å; W111-Y139 AromaticContact CD2-CE1 3.54Å; W111-Y139 HydrophobicContact CD2-CE1 3.54Å; W111-Y139 AromaticContact CE2-CE1 3.8Å; W111-Y139 AromaticContact CE3-CD1 3.47Å; W111-Y139 HydrophobicContact CE3-CD1 3.47Å; W111-Y139 VanDerWaalsContact CE3-CD1 3.47Å; W111-Y139 AromaticContact CE3-CE1 3.74Å; W111-Y139 HydrophobicContact CE3-CE1 3.74Å; W111-Y139 AromaticContact CG-CE1 3.91Å; W111-Y139 HydrophobicContact CG-CE1 3.91Å; W111-Y139 AromaticContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CD1 3.85Å; W111-Y139 HydrophobicContact CH2-CE1 4.4Å; W111-Y139 HydrophobicContact CZ2-CD1 4.12Å; W111-Y139 HydrophobicContact CZ2-CE1 4.23Å; W111-Y139 AromaticContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CD1 3.52Å; W111-Y139 HydrophobicContact CZ3-CE1 4.18Å; W111-Y139 HydrophobicContact CZ3-CG 4.47Å; L135-Y139 HydrophobicContact CB-CD2 4.35Å; L135-Y139 HydrophobicContact CG-CD2 4.21Å; L135-Y139 HydrophobicContact CG-CE2 4.16Å; L135-Y139 WeakPolarHBondContact O-CB 3.34Å; L135-Y139 WeakPolarHBondContact O-CD2 3.46Å; L135-Y139 PolarHBondContact O-N 3.09Å; Y139-K142 VanDerWaalsContact O-CG 3.31Å; Y139-K142 WeakPolarHBondContact O-CG 3.4Å
140E91.9Very high88.9Confident63 Ų6364.4 Ų64.429%0.29430%0.297SS..Iπ-helixtrans-83.8-55.1-179.5-54.9177.9174.600110.4L77 N78 Q136 K142L77-E140 WeakPolarHBondContact CA-OE1 3.27Å; N78-E140 PolarHBondContact N-OE1 3.11Å; Q136-E140 HydrophobicContact CB-CG 4.38Å; Q136-E140 WeakPolarHBondContact CB-OE2 3.48Å; Q136-E140 HydrophobicContact CG-CG 4.48Å; Q136-E140 WeakPolarHBondContact CG-OE2 3.4Å; Q136-E140 PolarHBondContact NE2-OE1 2.99Å; Q136-E140 PolarHBondContact NE2-OE2 3.07Å; Q136-E140 WeakPolarHBondContact O-CA 3.43Å; Q136-E140 VanDerWaalsContact O-CB 3.3Å; Q136-E140 WeakPolarHBondContact O-CB 3.45Å; Q136-E140 PolarHBondContact O-N 3.38Å; E140-K142 VanDerWaalsContact C-N 3.28Å; E140-K142 PolarHBondContact O-N 2.67Å
141K90.4Very high88.3Confident136 Ų13661 Ų6159%0.59129%0.286SS*.SBendtrans-76.6-14.3176.4-47.8-176.1-167177.10113.2Q136 E137 R143Q136-K141 PolarHBondContact O-N 2.87Å; E137-K141 HydrophobicContact CG-CD 4.33Å; E137-K141 CarbonylContact O-C 3.53Å; E137-K141 WeakPolarHBondContact OE1-CD 3.23Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.73Å; E137-K141 PolarHBondContact OE1-NZ 3.23Å; K141-R143 PolarHBondContact O-N 3.08Å; K141-R143 VanDerWaalsContact O-N 3.16Å
142K90.7Very high86.9Confident113 Ų11369.1 Ų69.149%0.49132%0.321SS..  trans53.631.9178.8-64-175-179.2172.40114.2W111 E137 K138 Y139 E140 W144 Y145W111-K142 HydrophobicContact CZ3-CG 4.31Å; E137-K142 PolarHBondContact O-N 3.01Å; E137-K142 VanDerWaalsContact O-N 3.15Å; K138-K142 WeakPolarHBondContact O-CA 3.28Å; Y139-K142 VanDerWaalsContact O-CG 3.31Å; Y139-K142 WeakPolarHBondContact O-CG 3.4Å; E140-K142 VanDerWaalsContact C-N 3.28Å; E140-K142 PolarHBondContact O-N 2.67Å; K142-W144 PolarHBondContact O-N 3.32Å; K142-Y145 HydrophobicContact CB-CG 4.47Å; K142-Y145 WeakPolarHBondContact O-CB 3.47Å; K142-Y145 PolarHBondContact O-N 3.49Å
143R87.8Confident84.6Confident151 Ų15168.2 Ų68.257%0.5733%0.331SS*.THydrogen-bonded Turntrans-55.6-28.1-166.5-176.1172.4177.7169.23115.1E137 K141E137-R143 VanDerWaalsContact O-CB 3.32Å; E137-R143 WeakPolarHBondContact O-CB 3.47Å; E137-R143 PolarHBondContact O-N 2.99Å; E137-R143 WeakPolarHBondContact OE2-CD 3.41Å; E137-R143 IonicContact OE2-CZ 3.6Å; E137-R143 IonicContact OE2-NE 3.77Å; E137-R143 IonicContact OE2-NH1 2.68Å; E137-R143 PolarHBondContact OE2-NH1 3.18Å; K141-R143 PolarHBondContact O-N 3.08Å; K141-R143 VanDerWaalsContact O-N 3.16Å
144W90.6Very high82.4Confident16 Ų1669.8 Ų69.86%0.06135%0.349CS..THydrogen-bonded Turntrans-125.618.8179.6-49.5-81.2000113.3W111 G113 L114 F115 F134 E137 K138 K142W111-W144 CarbonylContact C-O 3.47Å; G113-W144 PolarHBondContact N-O 3.37Å; L114-W144 HydrophobicContact CB-CB 4.44Å; F115-W144 HydrophobicContact CB-CB 4.11Å; F115-W144 HydrophobicContact CB-CG 3.94Å; F115-W144 AromaticContact CD2-CD2 3.79Å; F115-W144 HydrophobicContact CD2-CD2 3.79Å; F115-W144 AromaticContact CD2-CE2 3.69Å; F115-W144 HydrophobicContact CD2-CE3 4.26Å; F115-W144 HydrophobicContact CD2-CG 4.08Å; F115-W144 HydrophobicContact CD2-CZ2 4.1Å; F115-W144 AromaticContact CD2-NE1 3.88Å; F115-W144 HydrophobicContact CE2-CZ2 4.27Å; F134-W144 AromaticContact CD2-CH2 3.82Å; F134-W144 HydrophobicContact CD2-CH2 3.82Å; F134-W144 AromaticContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CD2-CZ3 3.88Å; F134-W144 HydrophobicContact CE2-CE3 4.33Å; F134-W144 AromaticContact CE2-CH2 3.61Å; F134-W144 HydrophobicContact CE2-CH2 3.61Å; F134-W144 AromaticContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CE2-CZ3 3.49Å; F134-W144 VanDerWaalsContact CE2-CZ3 3.49Å; F134-W144 HydrophobicContact CZ-CZ3 4.38Å; E137-W144 HydrophobicContact CB-CH2 3.94Å; E137-W144 HydrophobicContact CB-CZ3 3.8Å; K138-W144 HydrophobicContact CB-CE3 4.35Å; K138-W144 HydrophobicContact CB-CZ3 4.25Å; K142-W144 PolarHBondContact O-N 3.32Å
145Y92.2Very high80.3Confident73 Ų7373 Ų7329%0.28638%0.381SS..  trans-77.1127.8-177.2178.4-98.2000112.3I110 W111 K142 P147I110-Y145 HydrophobicContact CG2-CD2 3.83Å; I110-Y145 HydrophobicContact CG2-CE2 3.46Å; I110-Y145 VanDerWaalsContact CG2-CE2 3.46Å; I110-Y145 CarbonylContact O-C 3.54Å; I110-Y145 WeakPolarHBondContact O-CA 3.36Å; W111-Y145 AromaticContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CD2 3.81Å; W111-Y145 HydrophobicContact CD2-CE2 4.3Å; W111-Y145 AromaticContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CD2 3.51Å; W111-Y145 HydrophobicContact CE3-CE2 4.28Å; W111-Y145 HydrophobicContact CE3-CG 4.36Å; W111-Y145 AromaticContact CH2-CD2 3.84Å; W111-Y145 HydrophobicContact CH2-CD2 3.84Å; W111-Y145 AromaticContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CH2-CE2 3.88Å; W111-Y145 HydrophobicContact CZ2-CD2 4.11Å; W111-Y145 AromaticContact CZ2-CE2 3.9Å; W111-Y145 HydrophobicContact CZ2-CE2 3.9Å; W111-Y145 AromaticContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CD2 3.51Å; W111-Y145 HydrophobicContact CZ3-CE2 4.07Å; W111-Y145 HydrophobicContact CZ3-CG 4.28Å; K142-Y145 HydrophobicContact CB-CG 4.47Å; K142-Y145 WeakPolarHBondContact O-CB 3.47Å; K142-Y145 PolarHBondContact O-N 3.49Å; Y145-P147 HydrophobicContact CE1-CG 4.18Å
146V90.6Very high78.1Confident20 Ų2084 Ų8412%0.12142%0.423CS..  trans-115.3127.2171.2-176.90000108.1I110 L114 Q150 V151I110-V146 PolarHBondContact O-N 2.91Å; L114-V146 HydrophobicContact CD1-CG2 4.37Å; L114-V146 HydrophobicContact CD2-CG2 4.29Å; L114-V146 HydrophobicContact CG-CG2 3.81Å; V146-Q150 HydrophobicContact CG1-CB 3.83Å; V146-V151 HydrophobicContact CB-CG2 4.04Å; V146-V151 HydrophobicContact CG1-CG2 3.79Å
147P88.7Confident75.3Confident41 Ų4187.3 Ų87.327%0.26645%0.447SS..  trans-54.4141176.7-26.634.7000112.4Y145 D149 Q150 V151Y145-P147 HydrophobicContact CE1-CG 4.18Å; P147-D149 PolarHBondContact O-N 3.39Å; P147-Q150 HydrophobicContact CB-CG 4.45Å; P147-Q150 PolarHBondContact O-N 2.97Å; P147-V151 PolarHBondContact O-N 2.68Å
148P84.8Confident73Confident42 Ų4295.9 Ų95.927%0.27348%0.484SS..THydrogen-bonded Turntrans-59-25.9-175.424.6-35000113.5I110 V151 K152I110-P148 HydrophobicContact CD1-CB 3.94Å; I110-P148 HydrophobicContact CG1-CB 4.36Å; P148-V151 PolarHBondContact O-N 3.44Å; P148-K152 WeakPolarHBondContact O-CB 3.4Å; P148-K152 PolarHBondContact O-N 3.38Å
149D85.8Confident70.5Confident135 Ų13599.2 Ų99.272%0.72252%0.519SS*.THydrogen-bonded Turntrans-69.4-37.4178.5-42.5-60.4000111.6P147 K152P147-D149 PolarHBondContact O-N 3.39Å; D149-K152 PolarHBondContact O-N 2.97Å
150Q76.1Confident67.8Low141 Ų141104.9 Ų104.966%0.65956%0.56SS**G310 helixtrans-74.5-29.4175.2-62.2-179.89.400111.9V146 P147 K152V146-Q150 HydrophobicContact CG1-CB 3.83Å; P147-Q150 HydrophobicContact CB-CG 4.45Å; P147-Q150 PolarHBondContact O-N 2.97Å; Q150-K152 PolarHBondContact O-N 3.4Å
151V71.9Confident65.6Low44 Ų44106.5 Ų106.527%0.26759%0.585SS.*G310 helixtrans-68.3-15.7173.8172.80000112.4K109 I110 V146 P147 P148K109-V151 HydrophobicContact CB-CG1 3.54Å; K109-V151 HydrophobicContact CB-CG2 4.41Å; K109-V151 HydrophobicContact CD-CG1 4.48Å; K109-V151 WeakPolarHBondContact O-CG2 3.26Å; I110-V151 HydrophobicContact CG1-CB 4.49Å; I110-V151 HydrophobicContact CG1-CG1 4.46Å; I110-V151 HydrophobicContact CG1-CG2 4.04Å; V146-V151 HydrophobicContact CB-CG2 4.04Å; V146-V151 HydrophobicContact CG1-CG2 3.79Å; P147-V151 PolarHBondContact O-N 2.68Å; P148-V151 PolarHBondContact O-N 3.44Å
152K58.6Low62.9Low184 Ų184105.9 Ų105.980%0.860%0.597SS**G310 helixtrans-114.240.1-166.4-153.8160.6-176.71740115.2P148 D149 Q150P148-K152 WeakPolarHBondContact O-CB 3.4Å; P148-K152 PolarHBondContact O-N 3.38Å; D149-K152 PolarHBondContact O-N 2.97Å; Q150-K152 PolarHBondContact O-N 3.4Å
153G39.4Very low60.6Low51 Ų51106.8 Ų106.853%0.52661%0.612SS.*  trans-156.6158.1164.300000113.7
154P43.5Very low58.2Low126 Ų126105.5 Ų105.582%0.81862%0.624SS**SBendcis-111.885.5-6.735.7-21.4000111.1
155A44.6Very low55.5Low92 Ų92111.6 Ų111.676%0.7666%0.662SS**SBendtrans-137.923-17400000115.3
156Y44.9Very low52.9Low231 Ų231116.6 Ų116.691%0.90669%0.688SS**SBendtrans-151.934.1167.4-136.8-90000114.6
157T35Very low50.2Low121 Ų121119.4 Ų119.474%0.74272%0.721SS**  trans-111.9107.3172.834.20000110.2G159T157-G159 VanDerWaalsContact C-N 3.35Å; T157-G159 PolarHBondContact O-N 3.09Å
158K42.9Very low47.6Very low221 Ų221122.3 Ų122.396%0.96174%0.742SS**  trans-77.882.9179.9-170.9-173.4179.6-1750110.8
159G38.3Very low45.5Very low72 Ų72128.1 Ų128.174%0.74277%0.769SS**SBendtrans79.897163.200000116.3T157T157-G159 VanDerWaalsContact C-N 3.35Å; T157-G159 PolarHBondContact O-N 3.09Å
160S35.5Very low43.4Very low129 Ų129127.3 Ų127.390%0.90277%0.771SS**  -156.8156.5127.2-151.30000109.4
161A44.4Very low41.4Very low98 Ų98129.8 Ų129.881%0.8178%0.783SS**  trans-106.8132.4-171.700000112.5
162S35.3Very low39.6Very low123 Ų123131.1 Ų131.186%0.8681%0.806SS**  trans-158.6132155.350.50000110.7
163T40.9Very low38.6Very low131 Ų131132.2 Ų132.280%0.80481%0.81SS**  trans-80.1161175.723.40000111.7
164P38.6Very low39.1Very low125 Ų125135.5 Ų135.581%0.81282%0.823SS**  trans-74.3145-17630.8-35.7000112.6
165V32.5Very low38.6Very low143 Ų143137.3 Ų137.387%0.86782%0.824SS**  trans-111.8112.1166.4175.70000108.3
166Q39.2Very low38.4Very low179 Ų179144.5 Ų144.584%0.83683%0.832SS**  trans-95.9114.3174.9-177.2172.3-2500108.9
167G32.2Very low38.1Very low79 Ų79139.2 Ų139.281%0.81482%0.824SS**  trans-86.6109.7-176.400000113
168S35.3Very low38.2Very low101 Ų101140.5 Ų140.571%0.70683%0.825SS**  trans-149.1109.9166.256.20000111.4
169I39.6Very low37.8Very low164 Ų164137.8 Ų137.884%0.84182%0.82SS**  trans-79.2134.7169.3-71.7-68.6000107
170P41.9Very low37.4Very low118 Ų118138.2 Ų138.277%0.76683%0.825SS**  -137.3147.175.633.7-15.3000118.2
171E34.7Very low37.3Very low194 Ų194139.2 Ų139.291%0.90782%0.821SS**  trans31.9118.3135.4-151.6167.9128.900120.9
172G33.3Very low37.2Very low72 Ų72140.1 Ų140.174%0.74282%0.818SS**  trans165.9112.7166.300000113.5
173K38.9Very low37.3Very low206 Ų206138.3 Ų138.390%0.89681%0.811SS**  trans-142149.9174.2-67.6177.6-177.7173.10110
174P49.4Very low37.2Very low121 Ų121138.2 Ų138.279%0.78681%0.812SS**  cis-129.6-174.9-26.139.4-23.5000112.6
175L32.3Very low36.7Very low163 Ų163137.6 Ų137.685%0.85381%0.811SS**  trans-41.3142.5169.8-94147.9000115.1
176R42Very low36.7Very low244 Ų244137.9 Ų137.992%0.92181%0.807SS**  trans-110.9119.8148.3-79.6-162.9175.1-163.8-0110.5
177T36.7Very low36.2Very low119 Ų119134.2 Ų134.273%0.7380%0.801SS**  trans-63.8148.5163.4-41.80000110.5
178L38.6Very low36Very low148 Ų148136.5 Ų136.578%0.77580%0.799SS**  170.2127.3124.1-88.6168.3000112.9
179L33.6Very low35.8Very low164 Ų164136.3 Ų136.386%0.85980%0.803SS**  trans30.6132.9148.1-88.153.2000121.5
180G30.3Very low35.4Very low82 Ų82132.5 Ų132.585%0.84580%0.796SS**  trans166.248.6159.300000120.7
181D33.3Very low35Very low150 Ų150132.1 Ų132.180%0.80280%0.796SS**  trans-83.8146.1146.5-120-84.8000106.6A183D181-A183 PolarHBondContact OD1-N 2.96Å
182P42.5Very low34.9Very low117 Ų117129 Ų12976%0.7679%0.791SS**  -135.315755.639.2-24.1000116.5
183A38Very low34.9Very low85 Ų85130.7 Ų130.770%0.70279%0.791SS**  trans-71.6153.5158.800000112.9D181D181-A183 PolarHBondContact OD1-N 2.96Å
184P38.1Very low34.5Very low129 Ų129125.4 Ų125.484%0.83878%0.78SS**  trans-116156.9144.235.4-29.3000112.4
185S27.7Very low33.8Very low112 Ų112127.3 Ų127.378%0.78378%0.779SS**  trans-109.5-168.2-174-172.60000112.1
186L32Very low34.3Very low148 Ų148124.7 Ų124.778%0.77577%0.771SS**  trans92.495.8167.9-52.3178000114.9
187S28.6Very low33.7Very low102 Ų102118.5 Ų118.571%0.71376%0.76SS**  92.9149.678.269.20000112.1
188V29Very low33.4Very low128 Ų128117.4 Ų117.478%0.77676%0.757SS**  -161137.558.5165.30000112.6
189A31.9Very low33.2Very low96 Ų96116.5 Ų116.579%0.79375%0.749SS**  trans56.9160.5154.200000120.6
190A30.5Very low33Very low84 Ų84112.7 Ų112.769%0.69474%0.736SS**  cis-146.4154.14.900000113
191S34Very low33.2Very low110 Ų110116.6 Ų116.677%0.76973%0.732SS**  trans47.5133.7140.1-58.50000121.1
192T31.9Very low33Very low130 Ų130113.8 Ų113.880%0.79873%0.73SS**  cis-176164.9-5.15.70000106.9
193S33.6Very low32.3Very low107 Ų107119.6 Ų119.675%0.74874%0.737SS**  cis-156.8-150.3-1-160.40000110.4
194S31Very low31.8Very low94 Ų94120.9 Ų120.966%0.65774%0.736SS**  trans-46.3143.6170.149.70000117.1
195Q34.3Very low31.3Very low162 Ų162119.8 Ų119.876%0.75773%0.731SS**  cis73.715243.6-64.7-78.7-8.500113.9
196P42Very low31.5Very low108 Ų108123.2 Ų123.270%0.70174%0.735SS**  cis-137.5161.811.532.3-9.5000119.8
197V30.3Very low31.3Very low114 Ų114120.6 Ų120.669%0.69174%0.735SS**  trans57.5107.3135.8174.90000120.2
198S31Very low31.2Very low95 Ų95128.2 Ų128.266%0.66475%0.748SS**  79.6123.194.3-52.20000116.1
199Q33.4Very low31.2Very low129 Ų129126.6 Ų126.660%0.60374%0.742SS**  56.6136.983.3-65.6-168.4-5.500115.6S455Q199-S455 PolarHBondContact NE2-O 3.04Å
200S30Very low31.1Very low85 Ų85127.4 Ų127.459%0.59474%0.737SS**  cis-173174.6-9.7490000112.2
201H33.7Very low31.1Very low164 Ų164131.6 Ų131.676%0.75974%0.742SS**  trans74.9108.5161.5-63.1-70.3000124.3
202A29Very low31.7Very low90 Ų90131.4 Ų131.474%0.74474%0.739SS**  79.7155.3117.800000124.2
203R28.2Very low32.2Very low240 Ų240130 Ų13091%0.90673%0.732SS**  trans74.2154.3175.2-62-172.9171.8-170.8-1.4117.4
204T27.8Very low32.7Very low112 Ų112131 Ų13169%0.68774%0.736SS**  cis-168.1140.6-29.7-82.40000108.1
205S27.8Very low33Very low106 Ų106135 Ų13574%0.74174%0.744SS**  trans65.115916772.50000116.8
206Q31.5Very low33.4Very low183 Ų183132.9 Ų132.986%0.85575%0.747SS**  cis-153171.22.5-143.9171.820.500111.8
207A27.5Very low33.3Very low94 Ų94132.6 Ų132.678%0.77775%0.747SS**  trans65.4116.4155.400000121.8
208R27.1Very low33.6Very low261 Ų261133.5 Ų133.599%0.98575%0.753SS**  -150162.5123-140.3174.6-168.8-154.9-0.1111.7
209S28.8Very low33.8Very low95 Ų95139 Ų13966%0.66477%0.765SS**  trans-119153.3-168.4-178.60000112.9
210T28.9Very low34.1Very low112 Ų112142.8 Ų142.869%0.68778%0.779SS**  trans53.7114.815043.30000121.4
211Q31.7Very low34.5Very low172 Ų172143.8 Ų143.880%0.80479%0.793SS**  46.4169.2109.4-98-165.6-46.600121.8
212P46.6Very low35.1Very low107 Ų107140.9 Ų140.970%0.69579%0.791SS**  cis-134.9175.8-2.639.4-21.9000116.8
213P42.2Very low35.7Very low99 Ų99143 Ų14364%0.64380%0.795SS**  trans-96168.2158.238.2-32.8000113.5
214P44.9Very low36.4Very low129 Ų129137 Ų13784%0.83878%0.781SS**  trans-87.4-178.5-17135-37.3000116.9
215H36.6Very low37.8Very low179 Ų179139.1 Ų139.183%0.82979%0.787SS**  trans-119.5162.3-155.9-49.3-109.4000116.5
216S43.1Very low39.2Very low117 Ų117141.3 Ų141.382%0.81879%0.789SS**  trans176.9151.6130.1380000111.3
217S39.1Very low40.2Very low101 Ų101137 Ų13771%0.70679%0.786SS**  cis-164.8121.8-19.651.50000113.9
218V36.1Very low41.3Very low134 Ų134139.7 Ų139.781%0.81279%0.787SS**  trans56.1116.8140.8-168.20000121.7
219K35.4Very low42.6Very low210 Ų210135.1 Ų135.191%0.91378%0.78SS**  -167.2165116.6-103.3170.9-171.5177.30112.2
220K39.2Very low43.9Very low209 Ų209134.1 Ų134.191%0.90979%0.785SS**  trans-105.4146-167.3-60.3177.7178.5179.90113.8
221A38.7Very low44.6Very low106 Ų106132.4 Ų132.488%0.87679%0.79SS**  trans-162.6163.8132.800000109.2
222S46.1Very low45.8Very low102 Ų102129.7 Ų129.771%0.71378%0.78SS**  trans-120.7-178.9176.258.80000111
223T42.9Very low46.1Very low136 Ų136130.5 Ų130.583%0.83479%0.786SS**  trans62.4142175.840.20000115.6
224D43.2Very low46.5Very low114 Ų114134.5 Ų134.561%0.6179%0.794SS**  cis-152.2142-16.2-1754.1000107.3L226D224-L226 PolarHBondContact OD1-N 3.45Å
225L55.9Low46.6Very low156 Ų156132.4 Ų132.482%0.81779%0.787SS**SBendtrans-104.28.2-176.5-68.5178.7000113.6A227L225-A227 PolarHBondContact O-N 3.13Å
226L57.8Low47.1Very low151 Ų151128 Ų12879%0.79178%0.781SS**THydrogen-bonded Turntrans-77.9-1.7173.7-122.267.6000114.6D224D224-L226 PolarHBondContact OD1-N 3.45Å
227A52.6Low47.2Very low94 Ų94128.6 Ų128.678%0.77778%0.783SS**THydrogen-bonded Turntrans-84.4-14.2-176.600000115.2L225L225-A227 PolarHBondContact O-N 3.13Å
228D50.8Low47.2Very low150 Ų150132.1 Ų132.180%0.80279%0.788SS**SBendtrans-104.115.2-167.3-139.4-21000114
229I54.1Low47.3Very low164 Ų164131.7 Ų131.784%0.84179%0.786SS**SBendtrans-126.750.1178.5-42.8-177.3000109.7
230G56.1Low47.7Very low75 Ų75126 Ų12677%0.77378%0.778SS**  trans-148.729.2-173.700000114.9
231G44.5Very low48.6Very low76 Ų76122 Ų12278%0.78477%0.773SS**  trans-99.7124.5179.600000113.5
232D55Low48.4Very low114 Ų114121.8 Ų121.861%0.6177%0.771SS**  trans-71.4125.9175.9175.66.3000111.9F234D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 3.42Å; D232-F234 PolarHBondContact OD1-N 3.17Å
233P54.7Low47.9Very low124 Ų124127.2 Ų127.281%0.80578%0.783SS**THydrogen-bonded Turntrans-72.6-5.2179.231-37.3000115.6
234F50.3Low47.6Very low184 Ų184125.2 Ų125.281%0.80778%0.78SS**THydrogen-bonded Turntrans-85.80.8-179.2-90.2-85.7000115.7D232 A236D232-F234 VanDerWaalsContact C-N 3.27Å; D232-F234 PolarHBondContact O-N 3.42Å; D232-F234 PolarHBondContact OD1-N 3.17Å; F234-A236 PolarHBondContact O-N 3.45Å
235A46Very low47.2Very low85 Ų85124.6 Ų124.670%0.70279%0.79SS**  trans-80.1102.6179.700000112.6
236A48.3Very low46.3Very low86 Ų86126.6 Ų126.671%0.71179%0.793SS**  trans-80.2126.7179.100000112.8F234F234-A236 PolarHBondContact O-N 3.45Å
237P44.2Very low46Very low130 Ų130125.6 Ų125.684%0.84480%0.795SS**  trans-79.6138.6177.531.1-33.7000112.8
238Q40.2Very low45.1Very low175 Ų175125.9 Ų125.982%0.81880%0.798SS**  trans-93.1175.8178.7-71-71.2-19.200112.6
239T37.6Very low44.3Very low124 Ų124129.1 Ų129.176%0.76181%0.805SS**  trans-94.4146.7-15952.60000117.6
240A44.4Very low43.4Very low91 Ų91124.7 Ų124.775%0.75280%0.8SS**  trans80.9177.6145.600000118
241P57.1Low42.2Very low124 Ų124124.7 Ų124.781%0.80580%0.8SS**  -138.6165.2-90.940.7-23.1000116.6
242A35.3Very low41.7Very low102 Ų102130.4 Ų130.484%0.84381%0.806SS**  trans-155.1141.9159.500000112.4
243F34.9Very low40.7Very low217 Ų217131.4 Ų131.495%0.95282%0.817SS**PPolyproline II helixtrans-99.7145.8171.5-93-107.6000110.9
244A37.4Very low40.4Very low93 Ų93130.7 Ų130.777%0.76981%0.812SS**PPolyproline II helixtrans-95.4144.116500000110.5
245A33.8Very low39.6Very low101 Ų101126.3 Ų126.384%0.83580%0.804SS**PPolyproline II helixtrans-92.7152.1-174.300000113.4
246F37.7Very low39.1Very low199 Ų199131.7 Ų131.787%0.87381%0.814SS**  trans-106.8151.2166.4-75.2-85.8000110.3
247P51.7Low38.5Very low129 Ų129130.4 Ų130.484%0.83881%0.81SS**  trans-76.3158.3-173.231.5-36.2000113.4
248A33.6Very low37.9Very low101 Ų101127.9 Ų127.984%0.83581%0.807SS**  trans-98.7153.5-172.200000114.4
249F33.9Very low37.6Very low217 Ų217129 Ų12995%0.95281%0.81SS**  trans-138.4143.5150.4-154.3-95000107.4
250G34.7Very low37.8Very low71 Ų71127.6 Ų127.673%0.73281%0.811SS**  trans-132.8172-153.800000118
251G30.2Very low37.6Very low75 Ų75129.8 Ų129.877%0.77381%0.81SS**  trans105.3137.3-179.400000112.7
252Q35.5Very low36.4Very low197 Ų197133 Ų13392%0.92181%0.812SS**  cis-143.7173.9-3.2-58.9-175.918.400110.1
253T33.4Very low36.7Very low135 Ų135134.5 Ų134.583%0.82881%0.805SS**  trans-107.5-175.8-172.7540000112
254P48Very low36.6Very low109 Ų109127.5 Ų127.571%0.70879%0.787SS**  cis-129.4-179.4-22.325.3-3.4000113.7
255S33Very low36.3Very low92 Ų92132.2 Ų132.264%0.64379%0.791SS**  147.6135.8118.7-62.80000115.8
256H36.6Very low36.1Very low197 Ų197131.1 Ų131.191%0.91278%0.777SS**  trans58.9144.6170.6-58.5-78.3000118.7
257G34.7Very low36.3Very low60 Ų60127.4 Ų127.462%0.61978%0.776SS**  cis157.198.1-11.300000114.1
258G33Very low35.3Very low76 Ų76124.8 Ų124.878%0.78477%0.773SS**  trans71.9178.7-175.300000112.9
259F33.7Very low35.8Very low199 Ų199126.2 Ų126.287%0.87377%0.773SS**  cis-155.5158.1-6.632.5-100.4000108.3
260A41.6Very low36Very low95 Ų95121.2 Ų121.279%0.78577%0.765SS**  trans-87.9152.3-178.800000112.6
261N39.5Very low36.8Very low137 Ų137123.5 Ų123.573%0.73377%0.767SS**  trans42.7120.4146.6-168.7-39000118.5
262F33.1Very low37.1Very low192 Ų192125.1 Ų125.184%0.84277%0.767SS**  trans-137.7145.4135.9-151.7-114.4000112.8
263D39.8Very low37Very low132 Ų132122.1 Ų122.171%0.70676%0.761SS**  trans-88.4-169.2174.7-148-57.1000109.7
264A33Very low37Very low70 Ų70125.4 Ų125.458%0.57977%0.765SS**  trans54.6134.6149.400000122.7
265F32Very low36.3Very low193 Ų193123 Ų12385%0.84676%0.76SS**  trans87.596.4139-147.5-100000121.7
266S30.1Very low36.2Very low78 Ų78124.5 Ų124.555%0.54577%0.771SS.*  59.5108.6124.8-144.80000122.1
267S41.7Very low36Very low120 Ų120123 Ų12384%0.83977%0.768SS**  61.8114121.6-43.80000121.7
268G30.2Very low37Very low75 Ų75125.3 Ų125.377%0.77377%0.773SS**  trans157.2166.415000000114.1
269P44.5Very low37.9Very low131 Ų131126.8 Ų126.885%0.85177%0.768SS**  cis-122.9172.9-6.640.4-27000114.4
270S38.8Very low37.8Very low111 Ų111122.4 Ų122.478%0.77677%0.769SS**  trans-97.5169.3174.2-45.10000112.9
271P50.9Low37.3Very low119 Ų119121.1 Ų121.177%0.77377%0.765SS**  -124.5157.9122.72.119.3000111.4
272S36.9Very low37Very low110 Ų110124.5 Ų124.577%0.76978%0.776SS**  cis-163.4-1801.4-121.20000111.6
273V32.7Very low36.9Very low133 Ų133119.5 Ų119.581%0.80677%0.771SS**  trans87.196164.3-165.50000118.6
274F33.3Very low37.2Very low204 Ų204118 Ų11890%0.89577%0.768SS**  55.1127.3127.3-134.2-92000120.4
275G32.8Very low36.9Very low60 Ų60123.6 Ų123.662%0.61978%0.78SS**  cis169.4171.9-300000113.1
276S32.1Very low36.9Very low123 Ų123122.5 Ų122.586%0.8678%0.777SS**  trans79.5121.9168.9-58.70000120.9
277L32.4Very low37Very low165 Ų165123.1 Ų123.186%0.86479%0.787SS**  trans-94.4-174.2171.1-81.6159.6000110.3
278P54.1Low36.7Very low109 Ų109125.3 Ų125.371%0.70878%0.784SS**  cis-134.9-134.3-40.339.5-19000108.9
279P52.2Low37.3Very low107 Ų107127.3 Ų127.370%0.69578%0.783SS**  cis-130.2165.4-32.237.2-21000116.2
280A32.7Very low36.9Very low106 Ų106126.4 Ų126.488%0.87678%0.775SS**  trans60.9155.7150.300000120.2
281G31Very low36.8Very low69 Ų69127.3 Ų127.371%0.71178%0.779SS**  cis170.6155-10.800000114.2
282Q33.3Very low35.8Very low208 Ų208126.9 Ų126.997%0.97279%0.785SS**  trans70166.4173.8-55.9-163.7-4.900118.4
283A30.9Very low35.5Very low87 Ų87124.6 Ų124.672%0.71978%0.779SS**  trans-132.2-163.5-175.200000107.7
284P45.8Very low35.4Very low101 Ų101124 Ų12466%0.65678%0.781SS**  cis-137.7-169.2-5.323.74000114.7
285F27.6Very low35.5Very low187 Ų187118.9 Ų118.982%0.8277%0.77SS**  trans78.7145.1155.7-73.9-65.7000123.2
286Q31.1Very low35.4Very low170 Ų170125.5 Ų125.579%0.79479%0.785SS**  trans76118.9144.7-73-79.5-3.400123.2
287A31.5Very low35.4Very low90 Ų90123.2 Ų123.274%0.74478%0.781SS**  trans73.2150.3135.900000124.1
288Q35.5Very low35.7Very low166 Ų166122 Ų12278%0.77678%0.781SS**  trans-80.8162.7170.7-128.6-178-86.400110.8
289P44.4Very low35.7Very low117 Ų117122 Ų12276%0.7678%0.78SS**  -148.7-169.672.439.7-19000116.4
290T34.5Very low34.7Very low113 Ų113127.5 Ų127.569%0.69379%0.793SS**  trans-79165.8-176.250.20000115.6
291P36.7Very low34.7Very low130 Ų130126 Ų12684%0.84479%0.788SS**  -127.9-178.8128.138.6-30.9000113.4
292A30.3Very low34.8Very low109 Ų109127.7 Ų127.790%0.90180%0.796SS**  trans-139.2167.7-169.600000114.4
293G30.4Very low34.9Very low62 Ų62124.5 Ų124.564%0.63979%0.79SS**  trans-168.4133.616800000109.4
294S31.6Very low36Very low121 Ų121126 Ų12685%0.84679%0.793SS**  64.1127.670.370.50000113.3
295S34Very low35.3Very low96 Ų96129.8 Ų129.867%0.67181%0.806SS**  cis-172.5153.67.143.80000113.3
296Q31.1Very low35.8Very low200 Ų200124.8 Ų124.894%0.93580%0.799SS**  trans58.3139.4148.2-68.6172.9-19.400121.8
297G31.8Very low36.2Very low75 Ų75122.7 Ų122.777%0.77380%0.8SS**  trans156.9122.1164.800000113.3
298T38.7Very low36.2Very low140 Ų140124.5 Ų124.586%0.85980%0.803SS**  trans-134.5-167.6-175.460.90000111.6
299P55.2Low36.2Very low107 Ų107122 Ų12270%0.69580%0.804SS**  -131.6176.3-101.940.6-22000115.5
300F31.5Very low35.7Very low223 Ų223124.9 Ų124.998%0.97881%0.807SS**  trans-177.6148.9151.6-90.8-67000108
301G32.6Very low36.8Very low74 Ų74124.2 Ų124.276%0.76381%0.805SS**  cis151.5107-9.900000112.6
302A32.8Very low37Very low106 Ų106125 Ų12588%0.87680%0.802SS**  trans-159.2170.1176.900000113.7
303V36Very low37.2Very low141 Ų141124.4 Ų124.486%0.85579%0.791SS**  trans-130.3149.5-159.7171.70000113.2
304P52.3Low37.4Very low118 Ų118128.6 Ų128.677%0.76680%0.798SS**  trans-103.2178.8-177.441-37.1000115.2
305L32.3Very low37.6Very low181 Ų181128.7 Ų128.795%0.94879%0.793SS**  trans-150.6177.3165.4-109.4171.9000113.4
306A36.9Very low37.6Very low81 Ų81130.8 Ų130.867%0.66980%0.797SS**  trans-121.2173.4-151.200000116.4
307P40.5Very low37.8Very low126 Ų126127.3 Ų127.382%0.81879%0.789SS**  trans-103174-175.240.1-34.7000115.6
308T30.6Very low37.8Very low129 Ų129126.8 Ų126.879%0.79178%0.784SS**  trans-145.3140.9-168.5-26.10000116.6
309S35.4Very low37.5Very low114 Ų114125.2 Ų125.280%0.79778%0.778SS**  trans72.2145.1145.546.70000125.4
310Q35.2Very low36.5Very low177 Ų177128.9 Ų128.983%0.82778%0.784SS**  trans-106-170.4168.2-87.3-88.8-18.800108.9
311P57.9Low36.9Very low99 Ų99126 Ų12664%0.64378%0.777SS**  cis-156.4-169.126.447-23.9000120.9
312N39.6Very low36.7Very low147 Ų147125.7 Ų125.779%0.78678%0.775SS**  trans73.5156.5156-67.1-2.9000120.1
313S34.8Very low37.7Very low96 Ų96127.1 Ų127.167%0.67178%0.775SS**  cis-162.1157.17.6-140.10000117.4
314L34.1Very low37.4Very low149 Ų149123.9 Ų123.978%0.7877%0.771SS**  trans70.4161.7144-114.3108.2000127.6
315T36.6Very low36.6Very low123 Ų123124.8 Ų124.876%0.75577%0.774SS**  trans69.1144.6168.640.80000120.1
316D33Very low37.7Very low140 Ų140121.4 Ų121.475%0.74976%0.762SS**  cis-157.2-157.1-16.8-157.5-110.5000112.4
317V35.7Very low37.5Very low127 Ų127124.3 Ų124.377%0.7777%0.772SS**  trans-114.2165-152.9-50.40000119.5
318G33.2Very low37.1Very low64 Ų64123.1 Ų123.166%0.6677%0.773SS**  trans162.2114161.400000112.8
319S32.4Very low37.1Very low107 Ų107120.6 Ų120.675%0.74877%0.772SS**  75128.469.3-64.30000113.9
320F32.9Very low37.2Very low184 Ų184121.9 Ų121.981%0.80778%0.775SS**  cis-166.3172-7.9-126.3-73.6000109.5
321L39.5Very low38.3Very low162 Ų162118.5 Ų118.585%0.84877%0.769SS**  trans82.1133.7166.6-48.2-176.8000120.7
322G29Very low37.1Very low69 Ų69119.1 Ų119.171%0.71178%0.775SS**  trans-127.6-142.2153.600000108
323P53.8Low37.2Very low135 Ų135117.1 Ų117.188%0.87777%0.773SS**  cis-129.1-179.9-18.441.1-25.5000113.3
324G29.1Very low37.5Very low74 Ų74119.8 Ų119.876%0.76378%0.779SS**  trans-179143.9172.200000114.8
325V35.6Very low37.6Very low137 Ų137120.4 Ų120.483%0.8378%0.775SS**  trans-153.1-177.5-165.5-157.10000109.8
326P55.2Low37.4Very low109 Ų109117.1 Ų117.171%0.70877%0.766SS**  -110.3176.2-73.738-25.9000115
327T33.7Very low37.5Very low143 Ų143118.2 Ų118.288%0.87777%0.769SS**  trans-177154135.4210000107.8
328A32.6Very low37.3Very low100 Ų100116.3 Ų116.383%0.82677%0.767SS**  cis167.8126.2-2500000104.8
329G30.3Very low37.2Very low76 Ų76116.8 Ų116.878%0.78477%0.771SS**  trans158.7100.5177.700000115.6
330V37.3Very low37.2Very low141 Ų141120.1 Ų120.186%0.85578%0.775SS**  trans-166.9169-176.8-91.70000108.7
331P58.8Low37.2Very low107 Ų107117.5 Ų117.570%0.69577%0.774SS**  cis-136.9-173-23.735.8-16.9000113.7
332S32.7Very low37.4Very low111 Ų111115.2 Ų115.278%0.77677%0.769SS**  trans-163.2116.3141.2-79.50000108.3
333S40.8Very low38.5Very low106 Ų106117.4 Ų117.474%0.74177%0.771SS**  74.813072.9-64.40000112.5
334L42.3Very low37.3Very low152 Ų152119.2 Ų119.280%0.79677%0.772SS**  cis-143.5-177.78.2-140.271.8000108.3
335F35.9Very low37.4Very low161 Ų161123.7 Ų123.771%0.70677%0.773SS**  cis-149.7176.46.2-168-135.7000106.8M337F335-M337 HydrophobicContact CE1-CG 4.03Å; F335-M337 HydrophobicContact CE2-CE 4.42Å; F335-M337 HydrophobicContact CZ-CE 3.9Å; F335-M337 HydrophobicContact CZ-CG 4.09Å
336G30.9Very low37.1Very low55 Ų55122.2 Ų122.257%0.56777%0.769SS**  78.4124.352.300000111.9
337M35.2Very low35.7Very low163 Ų163123.4 Ų123.480%0.80377%0.773SS**  cis-156.6-176.915.3-80.3-84.2-17000109.4F335F335-M337 HydrophobicContact CE1-CG 4.03Å; F335-M337 HydrophobicContact CE2-CE 4.42Å; F335-M337 HydrophobicContact CZ-CE 3.9Å; F335-M337 HydrophobicContact CZ-CG 4.09Å
338A32.8Very low35.5Very low87 Ų87122.6 Ų122.672%0.71977%0.769SS**  178.9142.8-50.200000110.4
339G30.9Very low35.4Very low74 Ų74125.8 Ų125.876%0.76377%0.768SS**  trans87.5168.1166.500000118.2
340Q32.7Very low35.3Very low177 Ų177125.9 Ų125.983%0.82777%0.769SS**  cis-169116.8-31.7-124.2-168.7-4.100111.3
341V32.9Very low34.9Very low129 Ų129124 Ų12478%0.78276%0.762SS**  trans61.4-175.6152-46.70000118.7
342P43.5Very low33.8Very low113 Ų113124 Ų12473%0.73477%0.765SS**  -137.1-139.3-122.636.2-8000113.7
343P51.6Low33.6Very low116 Ų116124.2 Ų124.275%0.75377%0.766SS**  -107.8175.8-74.236.8-24000113.1
344L29.5Very low33.4Very low172 Ų172124.2 Ų124.290%0.90177%0.766SS**  trans-148.4163.4161.7-112.6170000112.2
345Q30.5Very low32.9Very low169 Ų169124.2 Ų124.279%0.7977%0.773SS**  trans-117.4146.7-159.3-58171.1-80.900115.2
346S28.3Very low32.6Very low106 Ų106120.1 Ų120.174%0.74178%0.776SS**  trans68.6170.3139.171.10000121.4
347V27.2Very low32.7Very low133 Ų133126.4 Ų126.481%0.80680%0.796SS**  trans76.1129.7176.7-176.50000115
348T28.5Very low32.8Very low127 Ų127123 Ų12378%0.77979%0.793SS**  cis-159.7159-19-96.20000108.8
349M31.7Very low32.8Very low166 Ų166129.4 Ų129.482%0.81881%0.805SS**  trans-73154.9177.1-69.5179.967.200114.8
350G26.5Very low33.1Very low78 Ų78129.1 Ų129.180%0.80480%0.803SS**  trans-143.8129156.900000109.6
351S30.3Very low33.2Very low101 Ų101125.4 Ų125.471%0.70680%0.802SS**  trans-102.5158-159.8-64.40000116.1
352S34.6Very low33.5Very low109 Ų109129 Ų12976%0.76281%0.808SS**  trans-50.6144.7177.453.70000118.3
353S29.4Very low33.8Very low114 Ų114130.1 Ų130.180%0.79781%0.812SS**  -178.5134.9128.633.50000109.3
354S37Very low33.6Very low106 Ų106131.5 Ų131.574%0.74181%0.814SS**  cis118.6901068.50000112.1
355T31.5Very low34.5Very low152 Ų152128.7 Ų128.793%0.93381%0.806SS**  trans-143.1148.6153.8260000108.4
356G30.2Very low35.3Very low75 Ų75130.3 Ų130.377%0.77381%0.811SS**  trans-84.2170.8-159.300000115.8
357L31.7Very low36.1Very low188 Ų188129.8 Ų129.898%0.98481%0.812SS**  -151159.8108.4-95.7172.8000109.1
358A37.3Very low37Very low90 Ų90128 Ų12874%0.74481%0.812SS**  trans-95145.7-168.900000113.4
359F33.2Very low37.9Very low222 Ų222128.1 Ų128.197%0.97482%0.815SS**  trans-147.7155146.7-121.4-83.9000110.8
360G36.9Very low38.3Very low69 Ų69124.6 Ų124.671%0.71181%0.812SS**PPolyproline II helixtrans-64141.6-156.500000117.3
361A34.7Very low39Very low98 Ų98125.5 Ų125.581%0.8181%0.812SS**PPolyproline II helixtrans-94.9147.7168.100000111.3
362F40.2Very low39.7Very low206 Ų206129 Ų12990%0.90482%0.817SS**PPolyproline II helixtrans-74.9141.2-176.2-70.2-107000112.3
363T48.5Very low40.2Very low135 Ų135128.9 Ų128.983%0.82881%0.814SS**PPolyproline II helixtrans-93.4128.4173.645.70000111.6
364N47.9Very low41.1Very low146 Ų146129.5 Ų129.578%0.78182%0.815SS**PPolyproline II helixtrans-88.7133.2173-77.8-57.1000110.6F366N364-F366 VanDerWaalsContact C-N 3.33Å; N364-F366 PolarHBondContact O-N 2.91Å
365P48Very low41.5Very low113 Ų113132.2 Ų132.273%0.73482%0.82SS**THydrogen-bonded Turntrans-86.619.5-163.634.7-38.1000116
366F48.2Very low42Very low203 Ų203130.8 Ų130.889%0.8981%0.814SS**THydrogen-bonded Turntrans-12517.8-170.7-79.8-74.8000115.6N364N364-F366 VanDerWaalsContact C-N 3.33Å; N364-F366 PolarHBondContact O-N 2.91Å
367A44.9Very low42.8Very low94 Ų94131.7 Ų131.778%0.77781%0.808SS**PPolyproline II helixtrans-100.8130.2172.600000111.5
368A45.4Very low43.7Very low96 Ų96129.5 Ų129.579%0.79380%0.803SS**PPolyproline II helixtrans-77.8144.4175.100000111.5A370A368-A370 PolarHBondContact O-N 3.24Å
369P47.6Very low44.1Very low130 Ų130131.4 Ų131.484%0.84480%0.8SS**PPolyproline II helixtrans-76.9122.2-177.330-33.9000112.2
370A40.9Very low44.7Very low91 Ų91126 Ų12675%0.75279%0.788SS**PPolyproline II helixtrans-76.8148.3163.100000110.5A368A368-A370 PolarHBondContact O-N 3.24Å
371A40.3Very low45Very low98 Ų98131.8 Ų131.881%0.8179%0.794SS**PPolyproline II helixtrans-67.5147.4-173.800000113.5
372Q45Very low45.4Very low173 Ų173135.8 Ų135.881%0.80880%0.795SS**  trans-115.2146.3169.9-73.4-73.8-62.500109.4
373P46Very low45.6Very low108 Ų108132.1 Ų132.170%0.70179%0.792SS**PPolyproline II helixtrans-71.6150.1175.230.9-34.7000111.6
374P46.9Very low45.1Very low127 Ų127133.6 Ų133.683%0.82580%0.795SS**PPolyproline II helixtrans-77140.3-176.930.9-34.9000113
375L46.2Very low44.6Very low163 Ų163130.2 Ų130.285%0.85380%0.795SS**PPolyproline II helixtrans-82.2148.2166.1-71.6164.9000110.5
376P42.8Very low44.1Very low122 Ų122133.4 Ų133.479%0.79281%0.805SS**PPolyproline II helixtrans-71.2137-17728.1-34.5000112.8
377S46.6Very low43.7Very low93 Ų93128.6 Ų128.665%0.6580%0.803SS**PPolyproline II helixtrans-77.9123.6179.51520000112.3N379S377-N379 PolarHBondContact O-N 2.99Å; S377-N379 PolarHBondContact OG-ND2 3.41Å; S377-N379 VanDerWaalsContact OG-ND2 3.08Å
378T51.1Low43.6Very low142 Ų142130.3 Ų130.387%0.87181%0.806SS**  trans-76.196.5166.552.60000111.3
379N44Very low43Very low130 Ų130129.1 Ų129.170%0.69580%0.803SS**  trans-129.6124.9169.5-97.3-63.7000109.9S377 F381S377-N379 PolarHBondContact O-N 2.99Å; S377-N379 PolarHBondContact OG-ND2 3.41Å; S377-N379 VanDerWaalsContact OG-ND2 3.08Å; N379-F381 PolarHBondContact O-N 3.18Å
380P46.3Very low42.9Very low110 Ų110129 Ų12971%0.71480%0.803SS**  trans-89.914-160.834.8-37000116.1
381F43.8Very low42.6Very low190 Ų190128.5 Ų128.583%0.83381%0.806SS**  trans-134.862.3-171-69.3-69.2000114.8N379N379-F381 PolarHBondContact O-N 3.18Å
382Q42.1Very low42.3Very low181 Ų181134 Ų13485%0.84681%0.812SS**  trans-142.5135.6152.2-74.1-159.3-3300111
383P44.5Very low41.6Very low129 Ų129129.2 Ų129.284%0.83881%0.809SS**PPolyproline II helixtrans-80.1137.917432.3-33.1000111.3
384N38.3Very low41.1Very low166 Ų166132.5 Ų132.589%0.88882%0.817SS**PPolyproline II helixtrans-67.9136.8-179.8-82.6-24000112.7
385G37.6Very low40.3Very low76 Ų76131.4 Ų131.478%0.78481%0.812SS**PPolyproline II helixtrans-72144.7163.200000111.6
386L38.4Very low39.8Very low179 Ų179129.1 Ų129.194%0.93781%0.81SS**PPolyproline II helixtrans-79.4140.1-179.9-70.9161.4000111.6
387A38.1Very low39.5Very low102 Ų102128 Ų12884%0.84381%0.811SS**  trans-118.4124.4171.500000110.5
388P43.9Very low38.7Very low131 Ų131126.9 Ų126.985%0.85182%0.815SS**  trans-106.9145.7166.836.2-28.1000112
389G31.8Very low38.6Very low71 Ų71126.8 Ų126.873%0.73282%0.816SS**  trans-144.5-166.115800000108.6
390P47.3Very low38Very low128 Ų128124 Ų12483%0.83182%0.819SS**  cis-114.6156.8-19.537.4-26.1000111.7
391G34.3Very low37.7Very low80 Ų80128.9 Ų128.983%0.82583%0.829SS**  trans-125129.6177.900000112.9
392F32.6Very low38.2Very low213 Ų213125.1 Ų125.193%0.93482%0.824SS**  trans-89.6143.9169.6-70.4-105.6000109.9
393G31.4Very low37.8Very low73 Ų73125.1 Ų125.175%0.75382%0.824SS**  trans152.483.516500000118.4
394M34.8Very low37.3Very low177 Ų177123.7 Ų123.787%0.87282%0.823SS**  42.7114.2126.9-168.4163.3169.200121.3
395S31.4Very low37.6Very low103 Ų103121.8 Ų121.872%0.7282%0.817SS**  trans51.2123.4141.8-52.50000119.9
396S34.7Very low38.5Very low115 Ų115123.4 Ų123.480%0.80481%0.814SS**  173.8166.173.245.60000113.3
397A36.2Very low39.2Very low98 Ų98121 Ų12181%0.8181%0.809SS**  trans29.6127.1154.900000122.5
398G30.5Very low39.1Very low71 Ų71123 Ų12373%0.73281%0.811SS**  trans-90.8-155.6144.800000111
399P49Very low38.6Very low139 Ų139120.6 Ų120.690%0.90381%0.81SS**  cis-128.5-179.1-0.941.9-26.8000114.1
400G30.8Very low38.7Very low73 Ų73122 Ų12275%0.75382%0.815SS**  trans179.3130.3168.600000116.9
401F39.8Very low38Very low212 Ų212125.6 Ų125.693%0.9382%0.818SS**  trans-138.9167.8169.2-88.1-79.5000107.1
402P54.1Low38.1Very low110 Ų110124.9 Ų124.971%0.71480%0.804SS**  cis-132.2-174.1-2.437.1-17.3000115
403Q34.8Very low38.3Very low181 Ų181119.9 Ų119.985%0.84680%0.795SS**  trans27.4127.2155.9-76.8-160.8-84.100123
404A33Very low38.3Very low100 Ų100121.4 Ų121.483%0.82680%0.795SS**  -154.9167.5127.100000110.2
405V44.9Very low38.4Very low125 Ų125122.4 Ų122.476%0.75880%0.795SS**  trans-128174.4178-144.10000109.9
406P56.7Low39.1Very low111 Ų111123.2 Ų123.272%0.72180%0.797SS**  -89.9-178.1-106.441.8-29.6000114.2
407P52.8Low39.5Very low127 Ų127121.9 Ų121.983%0.82579%0.793SS**  trans-129.6159.7137.937.6-29.1000114.6
408T36Very low40.1Very low145 Ų145123 Ų12389%0.8979%0.792SS**  trans-77.7147.1172500000112.6
409G32.6Very low40.5Very low81 Ų81127.6 Ų127.684%0.83580%0.799SS**  trans170.1108.3166.100000115.9
410A35.2Very low40.1Very low101 Ų101130.6 Ų130.684%0.83580%0.798SS**  trans-60.2158.8-17500000117.9
411F32.7Very low41.2Very low203 Ų203132.8 Ų132.889%0.8980%0.799SS**  trans-148.1162.7143.9-149.4-105.8000114
412A35.4Very low41.6Very low65 Ų65128.6 Ų128.654%0.53779%0.793SS.*  trans-44.9141.9-178.100000115.4
413S36.4Very low40.8Very low107 Ų107132.3 Ų132.375%0.74880%0.801SS**  cis98123.528.679.60000115.3
414S33Very low40.9Very low106 Ų106130.5 Ų130.574%0.74180%0.803SS**  trans-170113.5160.7-88.20000115.2
415F37Very low41.5Very low198 Ų198131.2 Ų131.287%0.86880%0.799SS**  trans63.4167.4148.6-61.5-71.4000118.7
416P46Very low40.9Very low120 Ų120133.8 Ų133.878%0.77981%0.808SS**  -130171.1-97.130.9-8000115.5
417A42.8Very low39.8Very low87 Ų87132.8 Ų132.872%0.71981%0.809SS**PPolyproline II helixtrans-102.9148.717700000112.9
418P47.5Very low38.8Very low122 Ų122135.1 Ų135.179%0.79281%0.808SS**PPolyproline II helixtrans-76.8151.7174.932-35000112.8
419L38.8Very low38.7Very low167 Ų167137.4 Ų137.487%0.87481%0.809SS**PPolyproline II helixtrans-78.4146.7-176.9-83.965.7000113.4
420F42.2Very low38.8Very low202 Ų202141.6 Ų141.689%0.88681%0.807SS**  trans-107.6140.1152.7-81.2-92.5000109.5
421P53.3Low38.5Very low118 Ų118144.5 Ų144.577%0.76681%0.808SS**PPolyproline II helixtrans-81.6141.3175.432.1-33.6000112.5
422P47.8Very low38.5Very low125 Ų125137.9 Ų137.981%0.81280%0.798SS**PPolyproline II helixtrans-85.3171.5175.535.6-35.8000113.2
423Q38Very low38.3Very low188 Ų188140.8 Ų140.888%0.87981%0.814SS**PPolyproline II helixtrans-89.4160.2178.9-63.1-169.80.300114
424T36.8Very low38.1Very low142 Ų142140.7 Ų140.787%0.87181%0.813SS**  trans-139.9126.3166.8230000111
425P45Very low37.9Very low116 Ų116145.5 Ų145.575%0.75382%0.821SS**  trans-110.4127.8174.635.8-27.3000113.3
426L33.1Very low37.5Very low179 Ų179139.1 Ų139.194%0.93781%0.811SS**  trans-160.7154.6162.5-130.773.2000106.9
427A33.8Very low36.6Very low90 Ų90140.4 Ų140.474%0.74481%0.811SS**  cis-140.6166.24.500000111.7
428Q32.2Very low36.1Very low175 Ų175143.9 Ų143.982%0.81882%0.817SS**  trans-105.2120.6-178.6173.9-179.7-15.200109.9
429Q32.9Very low35.2Very low194 Ų194141.2 Ų141.291%0.90781%0.812SS**  trans-95120.1172.8-166.9176.91500110.7
430Q34.2Very low35.1Very low169 Ų169139.5 Ų139.579%0.7981%0.814SS**  trans-85.3143.4165.6-68.3175.2-41.700110
431N29.6Very low34.7Very low162 Ų162133.9 Ų133.987%0.86680%0.804SS**  trans-141.6139.7143.1-170.827.3000108.3
432G31.8Very low33.8Very low64 Ų64137.6 Ų137.666%0.6681%0.809SS**  trans-157.1139.9179.100000110.4
433S32.5Very low33Very low126 Ų126139 Ų13988%0.88181%0.809SS**  trans-150157170.5-84.80000109.3
434S31.3Very low32.7Very low104 Ų104133 Ų13373%0.72780%0.796SS**  trans-117.8179.1-174.3-1700000111
435F28.3Very low32.7Very low207 Ų207135.3 Ų135.391%0.90880%0.798SS**  trans64.9153.4-175.5-78.9-107.6000115.5
436G29.8Very low31.9Very low65 Ų65139.7 Ų139.767%0.6780%0.799SS**  cis159.7137.7-11.300000114.7
437D27.5Very low32.6Very low146 Ų146135.6 Ų135.678%0.78178%0.783SS**  trans73.8153.6158.1-136.3-9.5000120.8
438L31.5Very low32.6Very low161 Ų161138 Ų13884%0.84378%0.782SS**  trans43.2138.3167.9-49.3-178.2000120.6
439G28.4Very low32.7Very low65 Ų65134.9 Ų134.967%0.6778%0.78SS**  cis162.5163.1-3.900000112.7
440S36.5Very low33Very low131 Ų131134.3 Ų134.392%0.91678%0.778SS**  trans71.7141.3174.8-64.70000118.7
441A33.9Very low33.9Very low84 Ų84131.5 Ų131.569%0.69477%0.774SS**  cis-165159.1-13.500000113
442K33.8Very low34.2Very low197 Ų197131 Ų13186%0.85778%0.776SS**  trans66.1150.4161.6-75.6-172.5172.5177.50118
443L32.2Very low34.4Very low155 Ų155131.1 Ų131.181%0.81278%0.778SS**  cis-168.7137-19.8-173157000105.8
444G32.5Very low35.1Very low60 Ų60133.6 Ų133.662%0.61978%0.779SS**  cis173.6-162.21.300000110.2
445Q35.3Very low35.4Very low192 Ų192132.5 Ų132.590%0.89777%0.771SS**  trans67.6116.5175.8-63.7-66.25.700119.1
446R28.9Very low36.1Very low207 Ų207127.8 Ų127.878%0.78176%0.76SS**  trans-104.6-163.7169.1-139.2-173.7162.7-150.3-0.3105.7
447P48.3Very low36.8Very low93 Ų93131.2 Ų131.260%0.60476%0.763SS**  cis-139.3168.6-16.540.2-22.7000117.2
448L33.9Very low37.6Very low140 Ų140130 Ų13073%0.73376%0.763SS**  trans58.5159143.3-90.961.8000120
449S33.7Very low38.1Very low110 Ų110131.7 Ų131.777%0.76976%0.764SS**  cis-155.9171.8-7.127.50000112.1
450Q38.7Very low38.8Very low182 Ų182136 Ų13685%0.8577%0.769SS**  trans-79-166.2178.9-57.2-179.5-35.700112.2
451P54.3Low38.8Very low110 Ų110136.7 Ų136.771%0.71477%0.767SS**  cis-150.9178.58.845.2-23.7000120.8
452V34.5Very low38.8Very low151 Ų151135.9 Ų135.992%0.91577%0.768SS**  trans60.2140.7143.4163.30000122.9
453G36.1Very low40.3Very low67 Ų67132.8 Ų132.869%0.69177%0.767SS**  trans156.5147.4156.400000117.2
454I47Very low40.4Very low179 Ų179131 Ų13192%0.91877%0.768SS**  trans-154.2153.6177-17.8172.9000112.3
455S38.8Very low40.7Very low80 Ų80133.6 Ų133.656%0.55978%0.777SS**  trans139.7147138.1-167.80000119.6Q199Q199-S455 PolarHBondContact NE2-O 3.04Å
456T42.1Very low40.9Very low109 Ų109130.1 Ų130.167%0.66977%0.773SS**  trans76.6151.4149.224.60000124
457N44.7Very low42.1Very low136 Ų136125.7 Ų125.773%0.72777%0.771SS**  trans-130.9162.3-172.9-54.1-63.3000113.5
458P43.8Very low41.5Very low121 Ų121131 Ų13179%0.78679%0.786SS**  trans-135.7-173.2144.631.4-12.5000114.9
459F43.3Very low41.6Very low197 Ų197129 Ų12986%0.86479%0.788SS**  trans-141.1163.7-157.4-111.2-85.6000116.8
460M41.9Very low41.8Very low156 Ų156129.7 Ų129.777%0.76879%0.793SS**  trans79.1128.3154.4-61.6-132.270.100123.6
461T37.8Very low41.8Very low144 Ų144130.5 Ų130.588%0.88379%0.794SS**  162.6171.6113.942.20000114.7
462G33.3Very low41.9Very low68 Ų68131.1 Ų131.170%0.70180%0.798SS**  trans-168.4-152.3175.900000109
463P65.3Low42.8Very low131 Ų131129.9 Ų129.985%0.85179%0.794SS**  cis-137.9178.3-25.443.2-27000114.6
464S34Very low43.3Very low118 Ų118133 Ų13383%0.82580%0.799SS**  trans-176177.116357.50000111.6
465S40Very low43.6Very low115 Ų115130.6 Ų130.680%0.80479%0.793SS**  -164.4140-61.955.20000110.1
466S38.2Very low44.1Very low118 Ų118132.8 Ų132.883%0.82580%0.799SS**  trans-75.2170.6-176.1-37.50000114.6
467P55.1Low45Very low114 Ų114132.6 Ų132.674%0.7480%0.799SS**  -159.3-177.28643.5-23.3000119
468F34.7Very low45.2Very low206 Ų206135.1 Ų135.190%0.90480%0.804SS**  trans77.4165161.6-85.3-76000121.5
469A36.3Very low44.8Very low96 Ų96140.6 Ų140.679%0.79383%0.825SS**  trans-156.9161.7-146.800000115.2
470S37.9Very low44.9Very low125 Ų125137.8 Ų137.887%0.87482%0.824SS**  trans-159.8168.6164.154.60000112.1
471K39.3Very low45.1Very low199 Ų199136.8 Ų136.887%0.86583%0.826SS**PPolyproline II helixtrans-95.5149.3-171.9-53.8168.9-176.8173.30112.5
472P56.3Low45.5Very low123 Ų123136.4 Ų136.480%0.79982%0.823SS**PPolyproline II helixtrans-82.4146.215634.3-31.8000111.4
473P51.9Low46.2Very low126 Ų126140.5 Ų140.582%0.81883%0.83SS**PPolyproline II helixtrans-92.7161.4174.736-34.4000114.1
474T46.8Very low45Very low131 Ų131141.1 Ų141.180%0.80483%0.829SS**PPolyproline II helixtrans-54.1146.7170.7-51.70000114.4
475T54.3Low45.7Very low129 Ų129142.6 Ų142.679%0.79183%0.829SS**  -176.5129.4125.9-72.70000110.9
476N48.5Very low46.1Very low127 Ų127144.6 Ų144.668%0.67983%0.831SS**  trans-76138.9167.9-80.8-9.3000110.6
477P60.9Low46.7Very low104 Ų104146.6 Ų146.668%0.67583%0.832SS**SBendtrans-80.3130.7149.932.8-28000109.6
478F48.6Very low46Very low190 Ų190149.3 Ų149.383%0.83384%0.839SS**  trans72.1114.1179-45.7-73.3000116.5
479L36.9Very low47.1Very low236 Ų236144.2 Ų144.2100%1.23683%0.833SS**  trans70.70174.3-57.6168.4000115.8

Retrieved 479 of 479 residues in 241.6 ms (Link to these results)