A0A096N4D8_PAPAN Loading...

Junctional adhesion molecule A

AlphaFold DB , UniProt , Accession A0A096N4D8, Species PAPAN (Papio anubis, Olive baboon), Gene F11R, Length 299 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.3Low62.8Low235 Ų235119.6 Ų119.6100%1.15863%0.634SS**  0-31.50-73171.5123.900114.5T3M1-T3 PolarHBondContact O-N 2.71Å
2G56.2Low63.5Low59 Ų59118.7 Ų118.761%0.60863%0.628SS**Hα-helixtrans-69.3-15.4-170.500000118.7Q6G2-Q6 WeakPolarHBondContact O-CB 3.49Å; G2-Q6 PolarHBondContact O-N 3.14Å
3T58.5Low64.2Low122 Ų122119.9 Ų119.975%0.74863%0.628SS**Hα-helixtrans-69.1-39.3-170.444.20000114.5M1 Q6 A7M1-T3 PolarHBondContact O-N 2.71Å; T3-Q6 PolarHBondContact O-N 3.19Å; T3-A7 PolarHBondContact O-N 3.22Å; T3-A7 VanDerWaalsContact O-N 3.14Å
4K58.5Low65Low153 Ų153119.5 Ų119.567%0.66563%0.626SS**Hα-helixtrans-69.4-50.4-176.3-162.5176.9178.6-179.80111.8Q6 A7 D8K4-Q6 PolarHBondContact O-N 3.16Å; K4-A7 WeakPolarHBondContact O-CA 3.42Å; K4-A7 WeakPolarHBondContact O-CB 3.33Å; K4-A7 PolarHBondContact O-N 2.59Å; K4-D8 VanDerWaalsContact O-CG 3.24Å; K4-D8 PolarHBondContact O-N 3.1Å
5A60.1Low65.5Low56 Ų56120.5 Ų120.546%0.46362%0.623SS.*Hα-helixtrans-60.2-30.5176.200000113.6R9A5-R9 WeakPolarHBondContact O-CB 2.96Å; A5-R9 VanDerWaalsContact O-CG 3.31Å; A5-R9 WeakPolarHBondContact O-CG 3.38Å; A5-R9 PolarHBondContact O-N 2.8Å
6Q57.1Low65.8Low122 Ų122118 Ų11857%0.5761%0.61SS**Hα-helixtrans-68-38.9172.8-167.683.6-23.400111.7G2 T3 K4 K10G2-Q6 WeakPolarHBondContact O-CB 3.49Å; G2-Q6 PolarHBondContact O-N 3.14Å; T3-Q6 PolarHBondContact O-N 3.19Å; K4-Q6 PolarHBondContact O-N 3.16Å; Q6-K10 WeakPolarHBondContact O-CG 3.37Å; Q6-K10 PolarHBondContact O-N 2.85Å
7A66Low65.8Low55 Ų55116.6 Ų116.646%0.45560%0.604SS.*Hα-helixtrans-71-46.6175.600000111.6T3 K4 R9 K10 L11T3-A7 PolarHBondContact O-N 3.22Å; T3-A7 VanDerWaalsContact O-N 3.14Å; K4-A7 WeakPolarHBondContact O-CA 3.42Å; K4-A7 WeakPolarHBondContact O-CB 3.33Å; K4-A7 PolarHBondContact O-N 2.59Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 3.49Å; A7-K10 WeakPolarHBondContact O-CB 3.4Å; A7-K10 PolarHBondContact O-N 2.89Å; A7-K10 VanDerWaalsContact O-N 3.08Å; A7-L11 PolarHBondContact O-N 2.93Å
8D67.3Low65.7Low86 Ų86113.3 Ų113.346%0.4660%0.596SS.*Hα-helixtrans-61.1-40.9179.4-58.7-31.9000111.2K4 L11 L12K4-D8 VanDerWaalsContact O-CG 3.24Å; K4-D8 PolarHBondContact O-N 3.1Å; D8-L11 PolarHBondContact O-N 2.8Å; D8-L12 WeakPolarHBondContact O-CB 3.43Å; D8-L12 PolarHBondContact O-N 2.99Å
9R69.6Low65.5Low184 Ų184112.9 Ų112.969%0.69459%0.593SS**Hα-helixtrans-63.2-39.8172.5-79.7-179.3174.1-166.5-2113A5 A7 H13A5-R9 WeakPolarHBondContact O-CB 2.96Å; A5-R9 VanDerWaalsContact O-CG 3.31Å; A5-R9 WeakPolarHBondContact O-CG 3.38Å; A5-R9 PolarHBondContact O-N 2.8Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 3.49Å; R9-H13 WeakPolarHBondContact O-CB 3.4Å; R9-H13 PolarHBondContact O-N 2.67Å
10K71.9Confident65Low139 Ų139112 Ų11260%0.60459%0.588SS**Hα-helixtrans-66.1-41.8174.7-79.3-175.7174.5-168.90111.6Q6 A7 H13 L14Q6-K10 WeakPolarHBondContact O-CG 3.37Å; Q6-K10 PolarHBondContact O-N 2.85Å; A7-K10 WeakPolarHBondContact O-CB 3.4Å; A7-K10 PolarHBondContact O-N 2.89Å; A7-K10 VanDerWaalsContact O-N 3.08Å; K10-H13 PolarHBondContact O-N 3.06Å; K10-L14 WeakPolarHBondContact O-CB 3.44Å; K10-L14 PolarHBondContact O-N 2.94Å
11L72.3Confident64.6Low105 Ų105111.6 Ų111.655%0.5559%0.586SS.*Hα-helixtrans-65.4-42.1178.9-162.373000111.2A7 D8 L14 F15A7-L11 PolarHBondContact O-N 2.93Å; D8-L11 PolarHBondContact O-N 2.8Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-F15 PolarHBondContact O-N 2.8Å
12L71.4Confident64.3Low108 Ų108104.3 Ų104.357%0.56556%0.558SS**Hα-helixtrans-62.9-42.5172.5-17764000111.8D8 L14 F15 I16D8-L12 WeakPolarHBondContact O-CB 3.43Å; D8-L12 PolarHBondContact O-N 2.99Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.37Å; L12-F15 PolarHBondContact O-N 3.37Å; L12-I16 HydrophobicContact CD1-CD1 4.11Å; L12-I16 HydrophobicContact CD1-CG1 4.42Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.41Å; L12-I16 PolarHBondContact O-N 3Å
13H72.1Confident64Low135 Ų135104.7 Ų104.763%0.62555%0.551SS**Hα-helixtrans-61.8-41.7174.4-117.2-72.2000112.1R9 K10 I16 L17R9-H13 WeakPolarHBondContact O-CB 3.4Å; R9-H13 PolarHBondContact O-N 2.67Å; K10-H13 PolarHBondContact O-N 3.06Å; H13-I16 PolarHBondContact O-N 2.8Å; H13-L17 VanDerWaalsContact O-CB 3.31Å; H13-L17 WeakPolarHBondContact O-CB 3.31Å; H13-L17 PolarHBondContact O-N 3.49Å
14L75.6Confident63.7Low114 Ų114105.5 Ų105.560%0.59755%0.55SS*.Hα-helixtrans-65.5-39.1175.2-88.4152.5000112.1K10 L11 L12 L17 A18K10-L14 WeakPolarHBondContact O-CB 3.44Å; K10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.86Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 2.98Å; L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.03Å
15F72.9Confident63.1Low134 Ų134101.9 Ų101.959%0.58855%0.548SS*.Hα-helixtrans-64.7-45.3173.1-110-87.8000112L11 L12 L17 A18 I19L11-F15 PolarHBondContact O-N 2.8Å; L12-F15 PolarHBondContact O-N 3.37Å; F15-L17 VanDerWaalsContact C-N 3.35Å; F15-A18 PolarHBondContact O-N 3.38Å; F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 WeakPolarHBondContact O-CB 3.43Å; F15-I19 WeakPolarHBondContact O-CD1 3.32Å; F15-I19 VanDerWaalsContact O-CG1 3.24Å; F15-I19 WeakPolarHBondContact O-CG1 3.29Å; F15-I19 PolarHBondContact O-N 3.49Å
16I69.8Low62.8Low81 Ų81105.9 Ų105.942%0.41556%0.561SS.*Hα-helixtrans-64.2-41.1176.6-70.6168.9000110.5L12 H13 I19 L20L12-I16 HydrophobicContact CD1-CD1 4.11Å; L12-I16 HydrophobicContact CD1-CG1 4.42Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.41Å; L12-I16 PolarHBondContact O-N 3Å; H13-I16 PolarHBondContact O-N 2.8Å; I16-I19 PolarHBondContact O-N 2.79Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 WeakPolarHBondContact O-CB 3.07Å; I16-L20 PolarHBondContact O-N 3.07Å
17L66.4Low62.9Low95 Ų95102.5 Ų102.550%0.49756%0.559SS.*Hα-helixtrans-65.2-41175.1-145.780.7000111.4H13 L14 F15 L20 L21H13-L17 VanDerWaalsContact O-CB 3.31Å; H13-L17 WeakPolarHBondContact O-CB 3.31Å; H13-L17 PolarHBondContact O-N 3.49Å; L14-L17 PolarHBondContact O-N 2.98Å; F15-L17 VanDerWaalsContact C-N 3.35Å; L17-L20 PolarHBondContact O-N 2.9Å; L17-L21 HydrophobicContact CD2-CD1 4.32Å; L17-L21 HydrophobicContact CG-CD1 4.25Å; L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 WeakPolarHBondContact O-CD1 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 2.73Å
18A64Low63.3Low56 Ų56104.6 Ų104.646%0.46357%0.571SS.*Hα-helixtrans-65.8-36.9175.600000112.1L14 F15 C22L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.03Å; F15-A18 PolarHBondContact O-N 3.38Å; A18-C22 WeakPolarHBondContact O-CB 3.46Å; A18-C22 PolarHBondContact O-N 2.59Å
19I61.2Low64.3Low107 Ų107102.2 Ų102.255%0.54956%0.559SS.*Hα-helixtrans-67.7-43.3174.2-70.1162.8000110.8F15 I16 C22 S23F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 WeakPolarHBondContact O-CB 3.43Å; F15-I19 WeakPolarHBondContact O-CD1 3.32Å; F15-I19 VanDerWaalsContact O-CG1 3.24Å; F15-I19 WeakPolarHBondContact O-CG1 3.29Å; F15-I19 PolarHBondContact O-N 3.49Å; I16-I19 PolarHBondContact O-N 2.79Å; I19-C22 PolarHBondContact O-N 3.04Å; I19-S23 PolarHBondContact O-N 3.44Å; I19-S23 PolarHBondContact O-OG 3.44Å
20L55.8Low65.4Low94 Ų9495.9 Ų95.949%0.49254%0.541SS..Hα-helixtrans-65.6-39.4175-91.8149.9000112.9I16 L17 S23 L24I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 WeakPolarHBondContact O-CB 3.07Å; I16-L20 PolarHBondContact O-N 3.07Å; L17-L20 PolarHBondContact O-N 2.9Å; L20-S23 PolarHBondContact O-OG 3.4Å; L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.21Å; L20-L24 PolarHBondContact O-N 2.9Å
21L56.7Low66.6Low104 Ų10490.2 Ų90.255%0.54552%0.518SS..Hα-helixtrans-70.8-33.4174.3-71.1166.8000111.4L17 L24 A25L17-L21 HydrophobicContact CD2-CD1 4.32Å; L17-L21 HydrophobicContact CG-CD1 4.25Å; L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 WeakPolarHBondContact O-CD1 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 2.73Å; L21-L24 PolarHBondContact O-N 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.2Å; L21-A25 PolarHBondContact O-N 3.19Å
22C47Very low67.7Low82 Ų8290 Ų9055%0.55451%0.514SS*.Hα-helixtrans-69.5-40.3173.6-170.70000111.8A18 I19 L24 A25 L26A18-C22 WeakPolarHBondContact O-CB 3.46Å; A18-C22 PolarHBondContact O-N 2.59Å; I19-C22 PolarHBondContact O-N 3.04Å; C22-L24 VanDerWaalsContact C-N 3.31Å; C22-L24 PolarHBondContact O-N 3.41Å; C22-A25 CarbonylContact O-C 3.55Å; C22-A25 WeakPolarHBondContact O-CA 3.36Å; C22-A25 PolarHBondContact O-N 3.44Å; C22-L26 PolarHBondContact O-N 2.87Å
23S50.7Low68.9Low66 Ų6685.9 Ų85.946%0.46249%0.494SS..Hα-helixtrans-74-20.1174.861.20000113.7I19 L20I19-S23 PolarHBondContact O-N 3.44Å; I19-S23 PolarHBondContact O-OG 3.44Å; L20-S23 PolarHBondContact O-OG 3.4Å
24L51.3Low70Confident139 Ų13984.5 Ų84.573%0.72850%0.5SS*.Hα-helixtrans-81-20163.8-71167.6000113.2L20 L21 C22L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.21Å; L20-L24 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.22Å; C22-L24 VanDerWaalsContact C-N 3.31Å; C22-L24 PolarHBondContact O-N 3.41Å
25A46.5Very low70.9Confident77 Ų7783.7 Ų83.764%0.63649%0.493SS*.Hα-helixtrans-95.4-0.9177.100000113.9L21 C22 G27L21-A25 WeakPolarHBondContact O-CB 3.2Å; L21-A25 PolarHBondContact O-N 3.19Å; C22-A25 CarbonylContact O-C 3.55Å; C22-A25 WeakPolarHBondContact O-CA 3.36Å; C22-A25 PolarHBondContact O-N 3.44Å; A25-G27 PolarHBondContact O-N 3.12Å
26L54Low72Confident140 Ų14081.8 Ų81.873%0.73349%0.494SS*.SBendtrans-65.483.3154.5-78.6167.7000107.3C22 S28C22-L26 PolarHBondContact O-N 2.87Å; L26-S28 PolarHBondContact O-N 3.4Å
27G58Low73.3Confident51 Ų5181 Ų8153%0.52649%0.488SS..PPolyproline II helixtrans-52.8120.7-164.500000112.3A25 V29A25-G27 PolarHBondContact O-N 3.12Å; G27-V29 PolarHBondContact O-N 2.82Å
28S75.1Confident74.8Confident100 Ų10076.8 Ų76.870%0.69947%0.466SS*.PPolyproline II helixtrans-60.3124.6179.849.70000110.3L26L26-S28 PolarHBondContact O-N 3.4Å
29V88.1Confident76.4Confident35 Ų3581 Ų8121%0.21247%0.471CS..PPolyproline II helixtrans-69.8131.8178.4176.30000109.5G27 S53 F55 N118 A120G27-V29 PolarHBondContact O-N 2.82Å; V29-S53 WeakPolarHBondContact CA-O 3.42Å; V29-F55 HydrophobicContact CG1-CD1 4.26Å; V29-F55 HydrophobicContact CG1-CD2 3.84Å; V29-F55 HydrophobicContact CG1-CE1 3.68Å; V29-F55 HydrophobicContact CG1-CE2 3.21Å; V29-F55 HydrophobicContact CG1-CG 4.34Å; V29-F55 HydrophobicContact CG1-CZ 3.13Å; V29-N118 HydrophobicContact CB-CB 4.44Å; V29-N118 HydrophobicContact CG1-CB 4.42Å; V29-N118 HydrophobicContact CG2-CB 3.69Å; V29-N118 VanDerWaalsContact CG2-CG 3.44Å; V29-A120 HydrophobicContact CG1-CB 4.31Å
30T93.2Very high78.2Confident52 Ų5277.6 Ų77.632%0.31945%0.453SS..EExtended strand (participates in β ladder)trans-125.9145.5178.5870000110.9Y52 S53T30-Y52 CarbonylContact O-C 3.51Å; T30-Y52 WeakPolarHBondContact O-CA 3.41Å; T30-Y52 WeakPolarHBondContact O-CB 3.48Å; T30-S53 PolarHBondContact N-O 2.72Å; T30-S53 PolarHBondContact O-N 2.82Å; T30-S53 PolarHBondContact OG1-OG 2.95Å
31V95.9Very high80.2Confident20 Ų2075 Ų7512%0.12144%0.441CS..EExtended strand (participates in β ladder)trans-139.8127.5171178.20000106.5A51 F55 V111 A120 V122V31-A51 CarbonylContact C-O 3.55Å; V31-A51 WeakPolarHBondContact CA-O 3.3Å; V31-F55 HydrophobicContact CG2-CE2 3.77Å; V31-F55 HydrophobicContact CG2-CZ 4.08Å; V31-V111 HydrophobicContact CG1-CG2 4.05Å; V31-V111 HydrophobicContact CG2-CB 3.79Å; V31-V111 HydrophobicContact CG2-CG2 3.78Å; V31-A120 HydrophobicContact CB-CB 3.99Å; V31-A120 HydrophobicContact CG2-CB 3.51Å; V31-V122 HydrophobicContact CG1-CB 3.98Å; V31-V122 HydrophobicContact CG1-CG1 3.73Å
32H95.5Very high82.1Confident101 Ų10172.3 Ų72.347%0.46843%0.426SS..EExtended strand (participates in β ladder)trans-149.3158.7-178.461.9-82.2000111.8C50 A51H32-C50 WeakPolarHBondContact O-CA 3.3Å; H32-A51 PolarHBondContact N-O 2.77Å; H32-A51 PolarHBondContact ND1-O 2.72Å; H32-A51 PolarHBondContact O-N 3.03Å
33S96.9Very high84.5Confident21 Ų2173.6 Ų73.615%0.14743%0.428CS..  trans-106.1150.3170.11780000108.9E35 S49 V124S33-E35 VanDerWaalsContact C-N 3.27Å; S33-E35 PolarHBondContact OG-N 2.88Å; S33-E35 PolarHBondContact OG-O 3.13Å; S33-S49 PolarHBondContact OG-O 2.98Å; S33-S49 PolarHBondContact OG-OG 2.95Å; S33-S49 VanDerWaalsContact OG-OG 3.07Å; S33-V124 WeakPolarHBondContact OG-CG2 3.34Å
34S95Very high86.7Confident106 Ų10673.8 Ų73.874%0.74142%0.423SS*.SBendtrans-74.7-21.116863.20000112.4S49S34-S49 PolarHBondContact N-OG 2.93Å; S34-S49 PolarHBondContact OG-OG 2.8Å
35E95.3Very high89Confident96 Ų9671.1 Ų71.145%0.44942%0.415SS..  trans-143.1113.4-178.7-171.5163.5-134.800110S33 V38S33-E35 VanDerWaalsContact C-N 3.27Å; S33-E35 PolarHBondContact OG-N 2.88Å; S33-E35 PolarHBondContact OG-O 3.13Å; E35-V38 HydrophobicContact CB-CG2 4.11Å; E35-V38 HydrophobicContact CG-CG2 3.87Å
36P94.9Very high91.4Very high95 Ų9568.1 Ų68.162%0.61739%0.389SS*.SBendtrans-85.5-23.1-174.932-34.6000114K125P36-K125 PolarHBondContact O-N 3.13Å
37E97.7Very high93.5Very high63 Ų6365.5 Ų65.529%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-128.3108.8167.5-177.6175.3119.600109R39 K125 I127E37-R39 IonicContact OE1-CZ 3.64Å; E37-R39 IonicContact OE1-NE 2.73Å; E37-R39 PolarHBondContact OE1-NE 3.38Å; E37-R39 IonicContact OE1-NH2 3.64Å; E37-R39 PolarHBondContact OE1-NH2 2.73Å; E37-K125 CarbonylContact C-O 3.56Å; E37-K125 WeakPolarHBondContact CA-O 3.31Å; E37-K125 HydrophobicContact CB-CB 4.45Å; E37-K125 HydrophobicContact CG-CB 4.35Å; E37-K125 HydrophobicContact CG-CD 4.22Å; E37-K125 HydrophobicContact CG-CG 4.33Å; E37-K125 WeakPolarHBondContact OE2-CD 3.32Å; E37-K125 WeakPolarHBondContact OE2-CE 3.36Å; E37-K125 IonicContact OE2-NZ 3.42Å; E37-K125 PolarHBondContact OE2-NZ 2.73Å; E37-I127 HydrophobicContact CG-CD1 4.17Å; E37-I127 HydrophobicContact CG-CG1 4.5Å; E37-I127 WeakPolarHBondContact OE1-CD1 3.16Å
38V98.1Very high95.4Very high7 Ų763.1 Ų63.14%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-95131.6179.4-177.70000109E35 V46 L48 V124 K125 L126 I127E35-V38 HydrophobicContact CB-CG2 4.11Å; E35-V38 HydrophobicContact CG-CG2 3.87Å; V38-V46 HydrophobicContact CG1-CG2 3.61Å; V38-L48 HydrophobicContact CB-CD2 4.3Å; V38-L48 HydrophobicContact CG1-CD2 4.46Å; V38-L48 HydrophobicContact CG2-CD2 4.06Å; V38-V124 HydrophobicContact CG2-CG1 3.73Å; V38-K125 PolarHBondContact N-O 3.15Å; V38-L126 HydrophobicContact CB-CD1 4.08Å; V38-L126 HydrophobicContact CG1-CD1 3.97Å; V38-I127 PolarHBondContact O-N 2.98Å
39R97.8Very high96.5Very high145 Ų14559.2 Ų59.255%0.54732%0.319SS..EExtended strand (participates in β ladder)trans-124120.7178-65.1-175.3170.5-130.8-2.4110.1E37 I127 L129E37-R39 IonicContact OE1-CZ 3.64Å; E37-R39 IonicContact OE1-NE 2.73Å; E37-R39 PolarHBondContact OE1-NE 3.38Å; E37-R39 IonicContact OE1-NH2 3.64Å; E37-R39 PolarHBondContact OE1-NH2 2.73Å; R39-I127 WeakPolarHBondContact CA-O 3.26Å; R39-I127 HydrophobicContact CG-CB 4.33Å; R39-I127 HydrophobicContact CG-CD1 4.45Å; R39-L129 HydrophobicContact CB-CD1 4.35Å
40I98.1Very high97Very high36 Ų3657.6 Ų57.619%0.18531%0.309CS..EExtended strand (participates in β ladder)trans-144140.8-174.9-166.369.8000110.7N44 V46 V99 L126 I127 V128 L129I40-N44 HydrophobicContact CD1-CB 4.3Å; I40-N44 HydrophobicContact CG1-CB 3.89Å; I40-V46 HydrophobicContact CB-CG2 4.37Å; I40-V46 HydrophobicContact CG1-CB 4.31Å; I40-V46 HydrophobicContact CG2-CB 4.17Å; I40-V46 HydrophobicContact CG2-CG1 4.25Å; I40-V46 HydrophobicContact CG2-CG2 4.25Å; I40-V99 HydrophobicContact CG2-CG2 3.81Å; I40-L126 HydrophobicContact CG2-CD1 3.91Å; I40-I127 PolarHBondContact N-O 2.72Å; I40-I127 VanDerWaalsContact N-O 3.16Å; I40-V128 CarbonylContact O-C 3.58Å; I40-V128 VanDerWaalsContact O-CA 3.3Å; I40-V128 WeakPolarHBondContact O-CA 3.45Å; I40-L129 PolarHBondContact O-N 3.23Å
41P97.9Very high97.1Very high38 Ų3857 Ų5725%0.24731%0.31CS..EExtended strand (participates in β ladder)trans-64153.2173-21.935000113.2N44 Y218P41-N44 WeakPolarHBondContact O-CB 3.47Å; P41-N44 PolarHBondContact O-ND2 2.82Å; P41-Y218 WeakPolarHBondContact CB-OH 3.45Å; P41-Y218 HydrophobicContact CG-CE2 4.47Å; P41-Y218 VanDerWaalsContact CG-OH 3.3Å; P41-Y218 WeakPolarHBondContact CG-OH 3.26Å
42E97.1Very high97.1Very high48 Ų4858.9 Ų58.922%0.22432%0.315CS..THydrogen-bonded Turntrans-55.4153.5174.8-152177.8-128.200112.3N44 V99 R101 V128 L129 V130E42-N44 PolarHBondContact O-N 3.12Å; E42-N44 PolarHBondContact O-ND2 2.86Å; E42-V99 VanDerWaalsContact CG-O 3.32Å; E42-V99 WeakPolarHBondContact CG-O 3.37Å; E42-R101 PolarHBondContact OE1-N 3.05Å; E42-R101 IonicContact OE1-NE 3.04Å; E42-V128 HydrophobicContact CB-CG1 3.92Å; E42-V128 HydrophobicContact CG-CG1 3.96Å; E42-L129 PolarHBondContact N-O 3.37Å; E42-V130 HydrophobicContact CB-CG2 3.89Å; E42-V130 HydrophobicContact CG-CG2 4.14Å
43N97.3Very high97Very high109 Ų10956.7 Ų56.758%0.58331%0.311SS*.THydrogen-bonded Turntrans64.49.7-179.6-57.9-80.1000116.4S98 V99N43-S98 WeakPolarHBondContact CA-OG 3.2Å; N43-V99 PolarHBondContact N-O 2.78Å
44N98.1Very high96.7Very high70 Ų7057.7 Ų57.737%0.37433%0.325SS..  trans-98.9150.4177-73.9-100.9000111.9I40 P41 E42 S98 V99I40-N44 HydrophobicContact CD1-CB 4.3Å; I40-N44 HydrophobicContact CG1-CB 3.89Å; P41-N44 WeakPolarHBondContact O-CB 3.47Å; P41-N44 PolarHBondContact O-ND2 2.82Å; E42-N44 PolarHBondContact O-N 3.12Å; E42-N44 PolarHBondContact O-ND2 2.86Å; N44-S98 WeakPolarHBondContact O-CA 3.35Å; N44-V99 PolarHBondContact O-N 2.85Å
45P97.9Very high96.6Very high84 Ų8453.9 Ų53.955%0.54530%0.295SS..  trans-71.5144.2170.630.2-34.2000111F96P45-F96 WeakPolarHBondContact CA-O 3.38Å; P45-F96 WeakPolarHBondContact CB-O 3.45Å
46V98.1Very high96.5Very high14 Ų1454.8 Ų54.89%0.08531%0.312CS..EExtended strand (participates in β ladder)trans-147.1144.3178.266.90000111.4V38 I40 T95 F96 V99 L126V38-V46 HydrophobicContact CG1-CG2 3.61Å; I40-V46 HydrophobicContact CB-CG2 4.37Å; I40-V46 HydrophobicContact CG1-CB 4.31Å; I40-V46 HydrophobicContact CG2-CB 4.17Å; I40-V46 HydrophobicContact CG2-CG1 4.25Å; I40-V46 HydrophobicContact CG2-CG2 4.25Å; V46-T95 CarbonylContact O-C 3.11Å; V46-T95 WeakPolarHBondContact O-CA 3.28Å; V46-F96 HydrophobicContact CG1-CB 4.06Å; V46-F96 HydrophobicContact CG1-CD2 4.32Å; V46-F96 HydrophobicContact CG1-CG 4.42Å; V46-F96 PolarHBondContact N-O 3.09Å; V46-F96 VanDerWaalsContact N-O 3.12Å; V46-F96 PolarHBondContact O-N 2.77Å; V46-V99 HydrophobicContact CG1-CG1 3.63Å; V46-V99 HydrophobicContact CG1-CG2 4.44Å; V46-L126 HydrophobicContact CG1-CD1 4.47Å; V46-L126 HydrophobicContact CG1-CD2 4.5Å
47K97.9Very high96.4Very high85 Ų8552.7 Ų52.737%0.3730%0.299SS..EExtended strand (participates in β ladder)trans-110.5123.4174.2-176.9-177.1179-172.30110S92 I94 T95K47-S92 WeakPolarHBondContact CE-O 3.44Å; K47-S92 PolarHBondContact NZ-O 2.96Å; K47-S92 PolarHBondContact NZ-OG 2.92Å; K47-I94 CarbonylContact C-O 3.56Å; K47-I94 WeakPolarHBondContact CA-O 3.3Å; K47-T95 HydrophobicContact CB-CG2 4.27Å
48L98.3Very high96.3Very high0 Ų051.2 Ų51.20%030%0.295CS..EExtended strand (participates in β ladder)trans-90.2110.4168.9-51.9-175000107.4V38 W62 G93 I94 F96 Y107 V124 L126V38-L48 HydrophobicContact CB-CD2 4.3Å; V38-L48 HydrophobicContact CG1-CD2 4.46Å; V38-L48 HydrophobicContact CG2-CD2 4.06Å; L48-W62 HydrophobicContact CB-CH2 3.74Å; L48-W62 HydrophobicContact CB-CZ3 3.95Å; L48-W62 HydrophobicContact CD1-CZ3 4.4Å; L48-W62 WeakPolarHBondContact O-CH2 3.37Å; L48-G93 CarbonylContact O-C 3.51Å; L48-G93 VanDerWaalsContact O-CA 3.26Å; L48-G93 WeakPolarHBondContact O-CA 3.17Å; L48-I94 HydrophobicContact CB-CG1 4.1Å; L48-I94 HydrophobicContact CD1-CD1 4.35Å; L48-I94 HydrophobicContact CD1-CG1 4.46Å; L48-I94 PolarHBondContact N-O 2.9Å; L48-I94 PolarHBondContact O-N 3.41Å; L48-I94 VanDerWaalsContact O-N 3.13Å; L48-F96 HydrophobicContact CD1-CE2 4.11Å; L48-F96 HydrophobicContact CG-CE2 4.49Å; L48-Y107 HydrophobicContact CD1-CD1 3.73Å; L48-Y107 HydrophobicContact CD1-CD2 3.42Å; L48-Y107 VanDerWaalsContact CD1-CD2 3.42Å; L48-Y107 HydrophobicContact CD1-CE1 4.18Å; L48-Y107 HydrophobicContact CD1-CE2 3.9Å; L48-Y107 HydrophobicContact CD1-CG 3.32Å; L48-V124 HydrophobicContact CB-CG1 4.38Å; L48-V124 HydrophobicContact CD2-CG1 4.05Å; L48-L126 HydrophobicContact CD2-CB 4.44Å; L48-L126 HydrophobicContact CD2-CD1 4.25Å; L48-L126 HydrophobicContact CD2-CD2 4.48Å
49S97.7Very high96.2Very high18 Ų1853.9 Ų53.913%0.12631%0.305CS..EExtended strand (participates in β ladder)trans-78.8144.3-174.556.90000112.2S33 S34S33-S49 PolarHBondContact OG-O 2.98Å; S33-S49 PolarHBondContact OG-OG 2.95Å; S33-S49 VanDerWaalsContact OG-OG 3.07Å; S34-S49 PolarHBondContact N-OG 2.93Å; S34-S49 PolarHBondContact OG-OG 2.8Å
50C97.5Very high96.2Very high2 Ų247.1 Ų47.11%0.01428%0.279CS..  trans-147.8107.8170-177.60000107.1H32 W62 S92 C109H32-C50 WeakPolarHBondContact O-CA 3.3Å; C50-W62 HydrophobicContact CB-CH2 4Å; C50-W62 HydrophobicContact CB-CZ2 3.43Å; C50-W62 VanDerWaalsContact CB-CZ2 3.43Å; C50-S92 PolarHBondContact N-O 3.11Å; C50-S92 VanDerWaalsContact N-O 3.13Å; C50-S92 CarbonylContact O-C 3.6Å; C50-S92 VanDerWaalsContact O-CA 3.26Å; C50-S92 WeakPolarHBondContact O-CA 3.43Å; C50-C109 HydrophobicContact CB-CB 3.63Å; C50-C109 WeakPolarHBondContact CB-SG 3.03Å; C50-C109 WeakPolarHBondContact SG-CB 3.49Å; C50-C109 CovalentContact SG-SG 2.04Å; C50-C109 PolarHBondContact SG-SG 3.29Å
51A96.4Very high96.2Very high39 Ų3947 Ų4732%0.32228%0.278SS..EExtended strand (participates in β ladder)trans-107.8136.7176.600000108.7V31 H32V31-A51 CarbonylContact C-O 3.55Å; V31-A51 WeakPolarHBondContact CA-O 3.3Å; H32-A51 PolarHBondContact N-O 2.77Å; H32-A51 PolarHBondContact ND1-O 2.72Å; H32-A51 PolarHBondContact O-N 3.03Å
52Y96Very high96.2Very high59 Ų5945.2 Ų45.223%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-143155.2-173.757.7-102.1000112.7T30 F55 P58 V60 P91 V111T30-Y52 CarbonylContact O-C 3.51Å; T30-Y52 WeakPolarHBondContact O-CA 3.41Å; T30-Y52 WeakPolarHBondContact O-CB 3.48Å; Y52-F55 AromaticContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CE2 4.38Å; Y52-F55 HydrophobicContact CG-CD2 4.29Å; Y52-F55 HydrophobicContact CG-CE2 4.45Å; Y52-P58 HydrophobicContact CE2-CB 3.71Å; Y52-P58 HydrophobicContact CE2-CG 3.78Å; Y52-V60 HydrophobicContact CE1-CG2 3.67Å; Y52-P91 WeakPolarHBondContact CE1-O 3.23Å; Y52-V111 HydrophobicContact CD1-CG1 4.24Å; Y52-V111 HydrophobicContact CD1-CG2 3.85Å; Y52-V111 HydrophobicContact CD2-CG1 4.2Å; Y52-V111 HydrophobicContact CE1-CG1 4.5Å; Y52-V111 HydrophobicContact CE1-CG2 4.44Å; Y52-V111 HydrophobicContact CE2-CG1 4.46Å; Y52-V111 HydrophobicContact CG-CG1 4.08Å; Y52-V111 HydrophobicContact CG-CG2 4.2Å
53S93.8Very high96.3Very high56 Ų5645.2 Ų45.239%0.39227%0.266SS..EExtended strand (participates in β ladder)trans-146.2153.8-177.867.70000111.4V29 T30V29-S53 WeakPolarHBondContact CA-O 3.42Å; T30-S53 PolarHBondContact N-O 2.72Å; T30-S53 PolarHBondContact O-N 2.82Å; T30-S53 PolarHBondContact OG1-OG 2.95Å
54G90.7Very high96.4Very high42 Ų4240.2 Ų40.243%0.43324%0.238SC..SBendtrans884.1177.800000115.3
55F91.9Very high96.3Very high26 Ų2638.4 Ų38.411%0.11423%0.229CC..  trans-96.1143.3171.4-61.4-85.2000111.1V29 V31 Y52 P58 V111 E113 N118V29-F55 HydrophobicContact CG1-CD1 4.26Å; V29-F55 HydrophobicContact CG1-CD2 3.84Å; V29-F55 HydrophobicContact CG1-CE1 3.68Å; V29-F55 HydrophobicContact CG1-CE2 3.21Å; V29-F55 HydrophobicContact CG1-CG 4.34Å; V29-F55 HydrophobicContact CG1-CZ 3.13Å; V31-F55 HydrophobicContact CG2-CE2 3.77Å; V31-F55 HydrophobicContact CG2-CZ 4.08Å; Y52-F55 AromaticContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CE2 4.38Å; Y52-F55 HydrophobicContact CG-CD2 4.29Å; Y52-F55 HydrophobicContact CG-CE2 4.45Å; F55-P58 HydrophobicContact CB-CB 3.86Å; F55-P58 HydrophobicContact CG-CB 4.31Å; F55-V111 HydrophobicContact CD1-CG1 4.11Å; F55-V111 HydrophobicContact CD2-CB 4.5Å; F55-V111 HydrophobicContact CD2-CG1 3.69Å; F55-V111 HydrophobicContact CE1-CB 4.25Å; F55-V111 HydrophobicContact CE1-CG1 3.85Å; F55-V111 WeakPolarHBondContact CE1-O 3.47Å; F55-V111 HydrophobicContact CE2-CB 3.71Å; F55-V111 HydrophobicContact CE2-CG1 3.38Å; F55-V111 HydrophobicContact CG-CG1 4.03Å; F55-V111 HydrophobicContact CZ-CB 3.54Å; F55-V111 HydrophobicContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-O 3.29Å; F55-V111 WeakPolarHBondContact CZ-O 3.4Å; F55-E113 VanDerWaalsContact CA-OE2 3.3Å; F55-E113 WeakPolarHBondContact CA-OE2 3.24Å; F55-E113 HydrophobicContact CD1-CB 4.39Å; F55-N118 HydrophobicContact CD1-CB 4.32Å; F55-N118 HydrophobicContact CE1-CB 4.08Å
56S92.5Very high96.3Very high115 Ų11538 Ų3880%0.80422%0.22SC*.SBendtrans-98-48.5177.8-57.50000112.4E113S56-E113 PolarHBondContact N-OE1 3.3Å; S56-E113 PolarHBondContact N-OE2 3.47Å
57S93.8Very high96Very high50 Ų5041.1 Ų41.135%0.3526%0.255SS..SBendtrans-123.886.2169.8-160.50000108.6R59 E113 E114S57-R59 PolarHBondContact O-N 2.99Å; S57-E113 PolarHBondContact N-OE1 2.87Å; S57-E114 VanDerWaalsContact CB-OE2 3.31Å; S57-E114 WeakPolarHBondContact CB-OE2 3.49Å; S57-E114 PolarHBondContact O-N 2.82Å; S57-E114 PolarHBondContact OG-OE2 2.95Å
58P95.9Very high95.9Very high32 Ų3245.4 Ų45.421%0.20828%0.282CS..EExtended strand (participates in β ladder)trans-76.2124.4-175.329-34.2000112Y52 F55 N77 V111Y52-P58 HydrophobicContact CE2-CB 3.71Å; Y52-P58 HydrophobicContact CE2-CG 3.78Å; F55-P58 HydrophobicContact CB-CB 3.86Å; F55-P58 HydrophobicContact CG-CB 4.31Å; P58-N77 PolarHBondContact O-ND2 2.98Å; P58-N77 PolarHBondContact O-OD1 3.21Å; P58-V111 HydrophobicContact CB-CG1 4.05Å
59R96.4Very high95.8Very high64 Ų6448.2 Ų48.224%0.24230%0.299CS..EExtended strand (participates in β ladder)trans-96.3109.4161.1-174.6175.572.3-90.2-0.4109.1S57 E61 N76 S112 E113S57-R59 PolarHBondContact O-N 2.99Å; R59-E61 WeakPolarHBondContact CD-OE1 3.44Å; R59-E61 HydrophobicContact CG-CG 4.45Å; R59-E61 IonicContact NE-OE1 2.59Å; R59-E61 PolarHBondContact NE-OE1 2.82Å; R59-N76 WeakPolarHBondContact CD-OD1 3.3Å; R59-N76 WeakPolarHBondContact CG-OD1 3.47Å; R59-S112 PolarHBondContact N-O 3.07Å; R59-S112 PolarHBondContact NH1-OG 3.33Å; R59-S112 PolarHBondContact NH2-OG 3.44Å; R59-S112 PolarHBondContact O-N 3.04Å; R59-S112 PolarHBondContact O-OG 3.34Å; R59-S112 VanDerWaalsContact O-OG 3.09Å; R59-E113 PolarHBondContact NH1-O 2.86Å
60V97.3Very high95.7Very high3 Ų351.8 Ų51.82%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-97.5130.3177.7-1730000109.7Y52 N77 F89 V111Y52-V60 HydrophobicContact CE1-CG2 3.67Å; V60-N77 WeakPolarHBondContact CA-OD1 3.4Å; V60-N77 WeakPolarHBondContact CB-OD1 3.19Å; V60-N77 PolarHBondContact N-OD1 2.97Å; V60-N77 PolarHBondContact O-N 2.89Å; V60-F89 HydrophobicContact CB-CE2 3.92Å; V60-F89 HydrophobicContact CB-CZ 3.95Å; V60-F89 HydrophobicContact CG1-CE2 3.88Å; V60-F89 HydrophobicContact CG1-CZ 4.36Å; V60-F89 HydrophobicContact CG2-CZ 4.22Å; V60-V111 HydrophobicContact CG1-CG2 4.38Å; V60-V111 HydrophobicContact CG2-CG1 4.12Å; V60-V111 HydrophobicContact CG2-CG2 4.33Å
61E97.9Very high95.7Very high32 Ų3256.6 Ų56.615%0.1534%0.341CS..EExtended strand (participates in β ladder)trans-129.5146.9175.9-60.6-177.8-157.200108.5R59 C74 Y75 M110R59-E61 WeakPolarHBondContact CD-OE1 3.44Å; R59-E61 HydrophobicContact CG-CG 4.45Å; R59-E61 IonicContact NE-OE1 2.59Å; R59-E61 PolarHBondContact NE-OE1 2.82Å; E61-C74 CarbonylContact C-O 3.5Å; E61-C74 WeakPolarHBondContact CA-O 3.38Å; E61-Y75 HydrophobicContact CG-CD2 4.27Å; E61-Y75 WeakPolarHBondContact OE2-CD2 3.18Å; E61-M110 HydrophobicContact CB-CE 3.92Å; E61-M110 PolarHBondContact N-O 2.83Å; E61-M110 PolarHBondContact O-N 3.26Å
62W98.6Very high95.8Very high1 Ų158.4 Ų58.40%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-128.4129.2176.3-7778.2000109.2L48 C50 V73 C74 I94 T108 C109L48-W62 HydrophobicContact CB-CH2 3.74Å; L48-W62 HydrophobicContact CB-CZ3 3.95Å; L48-W62 HydrophobicContact CD1-CZ3 4.4Å; L48-W62 WeakPolarHBondContact O-CH2 3.37Å; C50-W62 HydrophobicContact CB-CH2 4Å; C50-W62 HydrophobicContact CB-CZ2 3.43Å; C50-W62 VanDerWaalsContact CB-CZ2 3.43Å; W62-V73 HydrophobicContact CB-CB 4.13Å; W62-V73 PolarHBondContact O-N 2.83Å; W62-C74 HydrophobicContact CB-CB 3.77Å; W62-C74 HydrophobicContact CG-CB 4.17Å; W62-C74 PolarHBondContact N-O 2.8Å; W62-C74 PolarHBondContact O-N 2.85Å; W62-C74 VanDerWaalsContact O-N 3.12Å; W62-I94 HydrophobicContact CB-CD1 4.4Å; W62-I94 HydrophobicContact CD2-CD1 3.83Å; W62-I94 HydrophobicContact CD2-CG1 4Å; W62-I94 HydrophobicContact CD2-CG2 4.33Å; W62-I94 HydrophobicContact CE3-CD1 3.86Å; W62-I94 HydrophobicContact CE3-CG1 4.17Å; W62-I94 HydrophobicContact CG-CD1 4.13Å; W62-I94 HydrophobicContact CG-CG2 4.15Å; W62-I94 HydrophobicContact CH2-CG1 4.26Å; W62-I94 HydrophobicContact CZ2-CG1 4.09Å; W62-I94 HydrophobicContact CZ3-CD1 4.36Å; W62-I94 HydrophobicContact CZ3-CG1 4.3Å; W62-T108 WeakPolarHBondContact CA-O 3.45Å; W62-C109 HydrophobicContact CD2-CB 3.87Å; W62-C109 HydrophobicContact CE3-CB 4Å; W62-C109 HydrophobicContact CH2-CB 3.8Å; W62-C109 HydrophobicContact CZ2-CB 3.63Å; W62-C109 HydrophobicContact CZ3-CB 3.96Å
63K98.3Very high95.9Very high49 Ų4955.6 Ų55.621%0.21333%0.334CS..EExtended strand (participates in β ladder)trans-112.5152.2167.861.4170.7-175.9143.20111.2D65 K71 L72 Y107 T108 M110K63-D65 WeakPolarHBondContact CD-OD2 3.35Å; K63-D65 WeakPolarHBondContact CE-OD2 3.34Å; K63-D65 IonicContact NZ-OD1 3.23Å; K63-D65 IonicContact NZ-OD2 2.73Å; K63-D65 PolarHBondContact NZ-OD2 3.15Å; K63-K71 CarbonylContact C-O 3.44Å; K63-K71 VanDerWaalsContact CA-O 3.3Å; K63-K71 WeakPolarHBondContact CA-O 3.39Å; K63-L72 HydrophobicContact CB-CD2 4.2Å; K63-Y107 CarbonylContact O-C 3.59Å; K63-Y107 VanDerWaalsContact O-CA 3.28Å; K63-Y107 WeakPolarHBondContact O-CA 3.39Å; K63-T108 WeakPolarHBondContact CE-OG1 3.28Å; K63-T108 PolarHBondContact N-O 3.44Å; K63-T108 PolarHBondContact O-N 2.85Å; K63-M110 HydrophobicContact CB-CE 4.08Å; K63-M110 HydrophobicContact CD-CE 4.23Å; K63-M110 HydrophobicContact CD-SD 3.95Å; K63-M110 HydrophobicContact CG-CE 3.86Å; K63-M110 HydrophobicContact CG-SD 4Å
64F98.6Very high96.1Very high3 Ų353 Ų531%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-112128.8170.5165.3-97.1000108.1Q66 T70 K71 V73 E102 Y107F64-Q66 HydrophobicContact CE1-CB 3.64Å; F64-Q66 HydrophobicContact CE2-CB 4.26Å; F64-Q66 HydrophobicContact CZ-CB 3.48Å; F64-Q66 VanDerWaalsContact CZ-CB 3.48Å; F64-Q66 HydrophobicContact CZ-CG 4.22Å; F64-T70 CarbonylContact O-C 3.57Å; F64-T70 VanDerWaalsContact O-CA 3.28Å; F64-T70 WeakPolarHBondContact O-CA 3.03Å; F64-K71 HydrophobicContact CD1-CB 4.38Å; F64-K71 HydrophobicContact CD1-CD 4.37Å; F64-K71 PolarHBondContact N-O 3.18Å; F64-K71 PolarHBondContact O-N 2.86Å; F64-V73 HydrophobicContact CB-CG2 3.67Å; F64-E102 WeakPolarHBondContact CZ-O 3.22Å; F64-Y107 HydrophobicContact CB-CD1 4.14Å; F64-Y107 HydrophobicContact CB-CE1 3.96Å; F64-Y107 HydrophobicContact CD2-CD1 4.28Å; F64-Y107 HydrophobicContact CD2-CD2 4.23Å; F64-Y107 AromaticContact CD2-CE1 3.74Å; F64-Y107 HydrophobicContact CD2-CE1 3.74Å; F64-Y107 AromaticContact CD2-CE2 3.67Å; F64-Y107 HydrophobicContact CD2-CE2 3.67Å; F64-Y107 AromaticContact CD2-CZ 3.41Å; F64-Y107 VanDerWaalsContact CD2-CZ 3.41Å; F64-Y107 HydrophobicContact CE2-CE2 4.09Å; F64-Y107 AromaticContact CE2-CZ 3.99Å; F64-Y107 HydrophobicContact CG-CE1 4.28Å
65D97.9Very high96.4Very high32 Ų3257.1 Ų57.117%0.17132%0.319CS..EExtended strand (participates in β ladder)trans-124.3118.7179.8-64.3-52.3000109.5K63 T69 T70 T106K63-D65 WeakPolarHBondContact CD-OD2 3.35Å; K63-D65 WeakPolarHBondContact CE-OD2 3.34Å; K63-D65 IonicContact NZ-OD1 3.23Å; K63-D65 IonicContact NZ-OD2 2.73Å; K63-D65 PolarHBondContact NZ-OD2 3.15Å; D65-T69 WeakPolarHBondContact CA-O 3.5Å; D65-T70 WeakPolarHBondContact OD1-CB 3.02Å; D65-T70 VanDerWaalsContact OD1-CG2 3.23Å; D65-T70 WeakPolarHBondContact OD1-CG2 3.34Å; D65-T70 PolarHBondContact OD1-OG1 2.98Å; D65-T106 PolarHBondContact N-O 3.24Å; D65-T106 PolarHBondContact O-N 3.32Å
66Q96.3Very high96.6Very high76 Ų7659.9 Ų59.936%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-142.6109.7177.9-179.4-16176.500110F64 D68 T69 E102 T104F64-Q66 HydrophobicContact CE1-CB 3.64Å; F64-Q66 HydrophobicContact CE2-CB 4.26Å; F64-Q66 HydrophobicContact CZ-CB 3.48Å; F64-Q66 VanDerWaalsContact CZ-CB 3.48Å; F64-Q66 HydrophobicContact CZ-CG 4.22Å; Q66-D68 PolarHBondContact O-N 2.04Å; Q66-T69 PolarHBondContact N-O 2.8Å; Q66-T69 VanDerWaalsContact O-CB 3.32Å; Q66-T69 WeakPolarHBondContact O-CB 3.28Å; Q66-T69 PolarHBondContact O-N 2.94Å; Q66-E102 PolarHBondContact NE2-O 2.9Å; Q66-T104 PolarHBondContact NE2-O 3.17Å
67G93.3Very high96.8Very high80 Ų8057.2 Ų57.283%0.82531%0.311SS*.THydrogen-bonded Turntrans56.8-131.2-170.900000110.5T69G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 2.77Å
68D94.5Very high97Very high175 Ų17560.9 Ų60.994%0.93632%0.321SS*.THydrogen-bonded Turntrans-81.61.4174.3-52.4-59.3000113.7Q66Q66-D68 PolarHBondContact O-N 2.04Å
69T95.8Very high97.1Very high59 Ų5960 Ų6036%0.36232%0.315SS..EExtended strand (participates in β ladder)trans-93.2109.8-179.4-61.60000111.5D65 Q66 G67 K71D65-T69 WeakPolarHBondContact CA-O 3.5Å; Q66-T69 PolarHBondContact N-O 2.8Å; Q66-T69 VanDerWaalsContact O-CB 3.32Å; Q66-T69 WeakPolarHBondContact O-CB 3.28Å; Q66-T69 PolarHBondContact O-N 2.94Å; G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 2.77Å; T69-K71 HydrophobicContact CG2-CD 4.18Å; T69-K71 HydrophobicContact CG2-CG 4.09Å
70T97.3Very high97.2Very high92 Ų9258.3 Ų58.356%0.56431%0.311SS*.EExtended strand (participates in β ladder)trans-106.5132.7166-63.60000110.7F64 D65F64-T70 CarbonylContact O-C 3.57Å; F64-T70 VanDerWaalsContact O-CA 3.28Å; F64-T70 WeakPolarHBondContact O-CA 3.03Å; D65-T70 WeakPolarHBondContact OD1-CB 3.02Å; D65-T70 VanDerWaalsContact OD1-CG2 3.23Å; D65-T70 WeakPolarHBondContact OD1-CG2 3.34Å; D65-T70 PolarHBondContact OD1-OG1 2.98Å
71K97.1Very high97.1Very high103 Ų10362.1 Ų62.145%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-134.9142.3176.2-66.9172.5-178.3166.80110.7K63 F64 T69K63-K71 CarbonylContact C-O 3.44Å; K63-K71 VanDerWaalsContact CA-O 3.3Å; K63-K71 WeakPolarHBondContact CA-O 3.39Å; F64-K71 HydrophobicContact CD1-CB 4.38Å; F64-K71 HydrophobicContact CD1-CD 4.37Å; F64-K71 PolarHBondContact N-O 3.18Å; F64-K71 PolarHBondContact O-N 2.86Å; T69-K71 HydrophobicContact CG2-CD 4.18Å; T69-K71 HydrophobicContact CG2-CG 4.09Å
72L98Very high97Very high78 Ų7865 Ų6541%0.40837%0.367SS..EExtended strand (participates in β ladder)trans-81.6127.5167.5-70.9173.8000110K63 Y75 T80 M110K63-L72 HydrophobicContact CB-CD2 4.2Å; L72-Y75 HydrophobicContact CD1-CD2 4.11Å; L72-Y75 HydrophobicContact CD1-CG 4.5Å; L72-T80 HydrophobicContact CB-CG2 4.05Å; L72-T80 WeakPolarHBondContact O-CG2 3.42Å; L72-T80 PolarHBondContact O-OG1 2.91Å; L72-M110 HydrophobicContact CD2-CE 4.48Å
73V98.2Very high96.9Very high0 Ų065.4 Ų65.40%037%0.368CS..EExtended strand (participates in β ladder)trans-100.5-36.6178.6-1720000110.5W62 F64 I79 T80 Y83 I94 Y107W62-V73 HydrophobicContact CB-CB 4.13Å; W62-V73 PolarHBondContact O-N 2.83Å; F64-V73 HydrophobicContact CB-CG2 3.67Å; V73-I79 WeakPolarHBondContact O-CA 3.29Å; V73-T80 PolarHBondContact O-N 3.29Å; V73-T80 PolarHBondContact O-OG1 2.84Å; V73-Y83 HydrophobicContact CB-CD2 4.3Å; V73-Y83 HydrophobicContact CB-CE2 4.25Å; V73-Y83 HydrophobicContact CG1-CD1 4.06Å; V73-Y83 HydrophobicContact CG1-CD2 4.05Å; V73-Y83 HydrophobicContact CG1-CE1 4.3Å; V73-Y83 HydrophobicContact CG1-CE2 4.3Å; V73-Y83 HydrophobicContact CG1-CG 3.92Å; V73-Y83 HydrophobicContact CG2-CD2 4.44Å; V73-Y83 HydrophobicContact CG2-CE1 4.41Å; V73-Y83 HydrophobicContact CG2-CE2 3.91Å; V73-I94 HydrophobicContact CG1-CD1 3.81Å; V73-Y107 HydrophobicContact CG2-CD1 4.16Å; V73-Y107 HydrophobicContact CG2-CE1 3.99Å
74C98.3Very high96.8Very high0 Ų067.3 Ų67.30%038%0.378CS..EExtended strand (participates in β ladder)trans-135.1134172.3-176.40000108.7E61 W62 K78 I79E61-C74 CarbonylContact C-O 3.5Å; E61-C74 WeakPolarHBondContact CA-O 3.38Å; W62-C74 HydrophobicContact CB-CB 3.77Å; W62-C74 HydrophobicContact CG-CB 4.17Å; W62-C74 PolarHBondContact N-O 2.8Å; W62-C74 PolarHBondContact O-N 2.85Å; W62-C74 VanDerWaalsContact O-N 3.12Å; C74-K78 CarbonylContact C-O 3.54Å; C74-K78 VanDerWaalsContact CA-O 3.29Å; C74-K78 WeakPolarHBondContact CA-O 3.15Å; C74-K78 VanDerWaalsContact SG-C 3.58Å; C74-K78 PolarHBondContact SG-O 2.87Å; C74-K78 VanDerWaalsContact SG-O 3.37Å; C74-I79 HydrophobicContact CB-CD1 4.2Å
75Y97.6Very high96.7Very high130 Ų13072 Ų7251%0.5140%0.403SS..EExtended strand (participates in β ladder)trans-134.1132.9175.6-179-108.6000109.4E61 L72 N77 K78E61-Y75 HydrophobicContact CG-CD2 4.27Å; E61-Y75 WeakPolarHBondContact OE2-CD2 3.18Å; L72-Y75 HydrophobicContact CD1-CD2 4.11Å; L72-Y75 HydrophobicContact CD1-CG 4.5Å; Y75-N77 PolarHBondContact O-N 2.93Å; Y75-K78 PolarHBondContact N-O 2.7Å; Y75-K78 PolarHBondContact O-N 3.48Å; Y75-K78 VanDerWaalsContact O-O 3.06Å
76N95.4Very high96.6Very high84 Ų8473.1 Ų73.145%0.44941%0.405SS..THydrogen-bonded Turntrans45.656.7-177.7-164.339000114R59 K78R59-N76 WeakPolarHBondContact CD-OD1 3.3Å; R59-N76 WeakPolarHBondContact CG-OD1 3.47Å; N76-K78 PolarHBondContact O-N 3.04Å; N76-K78 VanDerWaalsContact O-N 3.1Å
77N96.6Very high96.7Very high59 Ų5969.7 Ų69.732%0.31639%0.389SS..THydrogen-bonded Turntrans60.810.8-177.2-64.5-35.8000116.2P58 V60 Y75 F89P58-N77 PolarHBondContact O-ND2 2.98Å; P58-N77 PolarHBondContact O-OD1 3.21Å; V60-N77 WeakPolarHBondContact CA-OD1 3.4Å; V60-N77 WeakPolarHBondContact CB-OD1 3.19Å; V60-N77 PolarHBondContact N-OD1 2.97Å; V60-N77 PolarHBondContact O-N 2.89Å; Y75-N77 PolarHBondContact O-N 2.93Å; N77-F89 HydrophobicContact CB-CE1 4.23Å; N77-F89 HydrophobicContact CB-CZ 4.32Å; N77-F89 WeakPolarHBondContact O-CD1 3.28Å
78K97.5Very high97Very high127 Ų12769 Ų6955%0.55237%0.369SS*.EExtended strand (participates in β ladder)trans-123.7137.9178.5-162.4-161.1172.1-152.80111.9C74 Y75 N76 E84C74-K78 CarbonylContact C-O 3.54Å; C74-K78 VanDerWaalsContact CA-O 3.29Å; C74-K78 WeakPolarHBondContact CA-O 3.15Å; C74-K78 VanDerWaalsContact SG-C 3.58Å; C74-K78 PolarHBondContact SG-O 2.87Å; C74-K78 VanDerWaalsContact SG-O 3.37Å; Y75-K78 PolarHBondContact N-O 2.7Å; Y75-K78 PolarHBondContact O-N 3.48Å; Y75-K78 VanDerWaalsContact O-O 3.06Å; N76-K78 PolarHBondContact O-N 3.04Å; N76-K78 VanDerWaalsContact O-N 3.1Å; K78-E84 WeakPolarHBondContact CE-OE1 3.09Å; K78-E84 IonicContact NZ-OE1 2.76Å; K78-E84 PolarHBondContact NZ-OE1 2.63Å
79I98.3Very high97.1Very high14 Ų1463.2 Ų63.27%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-59.2141.9169.4-58.3-56.9000110.2V73 C74 E84 V87 F89 I94V73-I79 WeakPolarHBondContact O-CA 3.29Å; C74-I79 HydrophobicContact CB-CD1 4.2Å; I79-E84 HydrophobicContact CB-CG 4.32Å; I79-E84 HydrophobicContact CG2-CG 4.11Å; I79-V87 HydrophobicContact CD1-CB 4.45Å; I79-V87 HydrophobicContact CD1-CG1 3.83Å; I79-V87 HydrophobicContact CG1-CG1 4.49Å; I79-V87 HydrophobicContact CG2-CB 4.23Å; I79-F89 HydrophobicContact CD1-CB 3.82Å; I79-F89 HydrophobicContact CG1-CB 3.91Å; I79-I94 HydrophobicContact CD1-CG2 3.89Å
80T98.1Very high97.1Very high28 Ų2863.9 Ų63.917%0.17234%0.337CS..  trans-83.5152.7178.562.20000111.4L72 V73 S82 Y83 E84L72-T80 HydrophobicContact CB-CG2 4.05Å; L72-T80 WeakPolarHBondContact O-CG2 3.42Å; L72-T80 PolarHBondContact O-OG1 2.91Å; V73-T80 PolarHBondContact O-N 3.29Å; V73-T80 PolarHBondContact O-OG1 2.84Å; T80-S82 PolarHBondContact O-N 2.88Å; T80-Y83 PolarHBondContact O-N 3.16Å; T80-E84 PolarHBondContact O-N 3.03Å; T80-E84 VanDerWaalsContact O-N 3.16Å
81A96.6Very high96.9Very high82 Ų8263.8 Ų63.868%0.67834%0.338SS*.THydrogen-bonded Turntrans-53.8-29.1-171.200000115Y83A81-Y83 PolarHBondContact O-N 3.03Å
82S94.9Very high96.8Very high93 Ų9361.4 Ų61.465%0.6533%0.334SS*.THydrogen-bonded Turntrans-71.9-2.5176.2-480000114.9T80T80-S82 PolarHBondContact O-N 2.88Å
83Y97.1Very high96.8Very high9 Ų957.8 Ų57.84%0.03532%0.315CS..THydrogen-bonded Turntrans-138.6-6-177.3-64.6-87.8000113.5V73 T80 A81 D85 R86 V87 F96V73-Y83 HydrophobicContact CB-CD2 4.3Å; V73-Y83 HydrophobicContact CB-CE2 4.25Å; V73-Y83 HydrophobicContact CG1-CD1 4.06Å; V73-Y83 HydrophobicContact CG1-CD2 4.05Å; V73-Y83 HydrophobicContact CG1-CE1 4.3Å; V73-Y83 HydrophobicContact CG1-CE2 4.3Å; V73-Y83 HydrophobicContact CG1-CG 3.92Å; V73-Y83 HydrophobicContact CG2-CD2 4.44Å; V73-Y83 HydrophobicContact CG2-CE1 4.41Å; V73-Y83 HydrophobicContact CG2-CE2 3.91Å; T80-Y83 PolarHBondContact O-N 3.16Å; A81-Y83 PolarHBondContact O-N 3.03Å; Y83-D85 PolarHBondContact O-N 3.26Å; Y83-R86 PolarHBondContact O-N 2.88Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; Y83-V87 HydrophobicContact CD1-CG2 3.88Å; Y83-V87 HydrophobicContact CG-CG2 4.3Å; Y83-V87 WeakPolarHBondContact O-CB 3.32Å; Y83-V87 PolarHBondContact O-N 3.25Å; Y83-F96 HydrophobicContact CD1-CE1 4.31Å; Y83-F96 HydrophobicContact CE1-CE1 4.43Å
84E95.8Very high96.8Very high89 Ų8957.8 Ų57.842%0.41632%0.315SS..THydrogen-bonded Turntrans-61-25.4-178.5-77.2-175.9151.200113.5K78 I79 T80K78-E84 WeakPolarHBondContact CE-OE1 3.09Å; K78-E84 IonicContact NZ-OE1 2.76Å; K78-E84 PolarHBondContact NZ-OE1 2.63Å; I79-E84 HydrophobicContact CB-CG 4.32Å; I79-E84 HydrophobicContact CG2-CG 4.11Å; T80-E84 PolarHBondContact O-N 3.03Å; T80-E84 VanDerWaalsContact O-N 3.16Å
85D96.4Very high96.8Very high103 Ų10359.4 Ų59.455%0.55133%0.326SS*.THydrogen-bonded Turntrans-68.5-37.1176.670.5-47.2000112.4Y83 K97Y83-D85 PolarHBondContact O-N 3.26Å; D85-K97 PolarHBondContact O-NZ 2.86Å
86R96.6Very high96.8Very high54 Ų5453.3 Ų53.320%0.20430%0.302CS..THydrogen-bonded Turntrans-128.4-6.9-165.471.5-158.7-173.693.20.2115.8Y83 F96 K97 D103Y83-R86 PolarHBondContact O-N 2.88Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; R86-F96 CarbonylContact O-C 3.59Å; R86-F96 WeakPolarHBondContact O-CA 3.47Å; R86-K97 WeakPolarHBondContact O-CG 3.48Å; R86-K97 PolarHBondContact O-N 3.02Å; R86-D103 IonicContact CZ-OD1 3.02Å; R86-D103 IonicContact CZ-OD2 3.77Å; R86-D103 IonicContact NH1-OD1 2.72Å; R86-D103 PolarHBondContact NH1-OD1 3.38Å; R86-D103 IonicContact NH1-OD2 2.93Å; R86-D103 PolarHBondContact NH1-OD2 2.74Å; R86-D103 IonicContact NH2-OD1 3.19Å; R86-D103 PolarHBondContact NH2-OD1 2.91Å; R86-D103 IonicContact NH2-OD2 3.45Å
87V98.2Very high96.9Very high5 Ų555.2 Ų55.23%0.0331%0.306CS..EExtended strand (participates in β ladder)trans-122.9140.3179.2-171.80000111.1I79 Y83 I94 T95 F96I79-V87 HydrophobicContact CD1-CB 4.45Å; I79-V87 HydrophobicContact CD1-CG1 3.83Å; I79-V87 HydrophobicContact CG1-CG1 4.49Å; I79-V87 HydrophobicContact CG2-CB 4.23Å; Y83-V87 HydrophobicContact CD1-CG2 3.88Å; Y83-V87 HydrophobicContact CG-CG2 4.3Å; Y83-V87 WeakPolarHBondContact O-CB 3.32Å; Y83-V87 PolarHBondContact O-N 3.25Å; V87-I94 HydrophobicContact CG1-CB 3.92Å; V87-I94 HydrophobicContact CG1-CD1 4.47Å; V87-I94 HydrophobicContact CG1-CG2 4.46Å; V87-T95 CarbonylContact C-O 3.56Å; V87-T95 WeakPolarHBondContact CA-O 3.32Å; V87-F96 HydrophobicContact CG1-CE2 4.46Å; V87-F96 HydrophobicContact CG2-CD1 3.53Å; V87-F96 HydrophobicContact CG2-CD2 4.28Å; V87-F96 HydrophobicContact CG2-CE1 3.48Å; V87-F96 VanDerWaalsContact CG2-CE1 3.48Å; V87-F96 HydrophobicContact CG2-CE2 4.23Å; V87-F96 HydrophobicContact CG2-CG 3.93Å; V87-F96 HydrophobicContact CG2-CZ 3.83Å
88T97.9Very high97Very high66 Ų6654.2 Ų54.241%0.40530%0.303SS..EExtended strand (participates in β ladder)trans-118.4145.1171.460.60000111.3I94 T95T88-I94 WeakPolarHBondContact O-CA 3.39Å; T88-T95 PolarHBondContact N-O 2.88Å; T88-T95 PolarHBondContact O-N 2.8Å; T88-T95 PolarHBondContact OG1-O 2.71Å
89F97.9Very high97Very high53 Ų5348.1 Ų48.123%0.23228%0.277CS..EExtended strand (participates in β ladder)trans-92.8138.8176.7176.6-102.7000111.3V60 N77 I79 I94V60-F89 HydrophobicContact CB-CE2 3.92Å; V60-F89 HydrophobicContact CB-CZ 3.95Å; V60-F89 HydrophobicContact CG1-CE2 3.88Å; V60-F89 HydrophobicContact CG1-CZ 4.36Å; V60-F89 HydrophobicContact CG2-CZ 4.22Å; N77-F89 HydrophobicContact CB-CE1 4.23Å; N77-F89 HydrophobicContact CB-CZ 4.32Å; N77-F89 WeakPolarHBondContact O-CD1 3.28Å; I79-F89 HydrophobicContact CD1-CB 3.82Å; I79-F89 HydrophobicContact CG1-CB 3.91Å; F89-I94 HydrophobicContact CD2-CG2 4.25Å
90L95.7Very high96.9Very high73 Ų7349.8 Ų49.838%0.38229%0.288SS..EExtended strand (participates in β ladder)trans-135.3153.4166.1-60.2168.6000108.9S92 G93L90-S92 PolarHBondContact O-N 3.24Å; L90-G93 WeakPolarHBondContact CB-O 3.4Å; L90-G93 PolarHBondContact N-O 2.91Å; L90-G93 PolarHBondContact O-N 2.73Å; L90-G93 VanDerWaalsContact O-O 3.07Å
91P93.4Very high96.7Very high89 Ų8952.6 Ų52.658%0.57830%0.295SS*.THydrogen-bonded Turntrans-60.6-7172.4-24.835.1000115.4Y52Y52-P91 WeakPolarHBondContact CE1-O 3.23Å
92S94.5Very high96.6Very high53 Ų5355.5 Ų55.537%0.37130%0.295SS..THydrogen-bonded Turntrans-111.916.717554.80000113.3K47 C50 L90K47-S92 WeakPolarHBondContact CE-O 3.44Å; K47-S92 PolarHBondContact NZ-O 2.96Å; K47-S92 PolarHBondContact NZ-OG 2.92Å; C50-S92 PolarHBondContact N-O 3.11Å; C50-S92 VanDerWaalsContact N-O 3.13Å; C50-S92 CarbonylContact O-C 3.6Å; C50-S92 VanDerWaalsContact O-CA 3.26Å; C50-S92 WeakPolarHBondContact O-CA 3.43Å; L90-S92 PolarHBondContact O-N 3.24Å
93G97.1Very high96.7Very high2 Ų251.2 Ų51.22%0.02127%0.265CS..EExtended strand (participates in β ladder)trans121.7178.4175.800000115L48 L90L48-G93 CarbonylContact O-C 3.51Å; L48-G93 VanDerWaalsContact O-CA 3.26Å; L48-G93 WeakPolarHBondContact O-CA 3.17Å; L90-G93 WeakPolarHBondContact CB-O 3.4Å; L90-G93 PolarHBondContact N-O 2.91Å; L90-G93 PolarHBondContact O-N 2.73Å; L90-G93 VanDerWaalsContact O-O 3.07Å
94I98.4Very high96.7Very high0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-96.4144.3-177.556.3174.1000111.9K47 L48 W62 V73 I79 V87 T88 F89 F96 Y107K47-I94 CarbonylContact C-O 3.56Å; K47-I94 WeakPolarHBondContact CA-O 3.3Å; L48-I94 HydrophobicContact CB-CG1 4.1Å; L48-I94 HydrophobicContact CD1-CD1 4.35Å; L48-I94 HydrophobicContact CD1-CG1 4.46Å; L48-I94 PolarHBondContact N-O 2.9Å; L48-I94 PolarHBondContact O-N 3.41Å; L48-I94 VanDerWaalsContact O-N 3.13Å; W62-I94 HydrophobicContact CB-CD1 4.4Å; W62-I94 HydrophobicContact CD2-CD1 3.83Å; W62-I94 HydrophobicContact CD2-CG1 4Å; W62-I94 HydrophobicContact CD2-CG2 4.33Å; W62-I94 HydrophobicContact CE3-CD1 3.86Å; W62-I94 HydrophobicContact CE3-CG1 4.17Å; W62-I94 HydrophobicContact CG-CD1 4.13Å; W62-I94 HydrophobicContact CG-CG2 4.15Å; W62-I94 HydrophobicContact CH2-CG1 4.26Å; W62-I94 HydrophobicContact CZ2-CG1 4.09Å; W62-I94 HydrophobicContact CZ3-CD1 4.36Å; W62-I94 HydrophobicContact CZ3-CG1 4.3Å; V73-I94 HydrophobicContact CG1-CD1 3.81Å; I79-I94 HydrophobicContact CD1-CG2 3.89Å; V87-I94 HydrophobicContact CG1-CB 3.92Å; V87-I94 HydrophobicContact CG1-CD1 4.47Å; V87-I94 HydrophobicContact CG1-CG2 4.46Å; T88-I94 WeakPolarHBondContact O-CA 3.39Å; F89-I94 HydrophobicContact CD2-CG2 4.25Å; I94-F96 HydrophobicContact CD1-CE2 3.99Å; I94-F96 HydrophobicContact CG1-CE2 4.44Å; I94-Y107 HydrophobicContact CD1-CD1 4.3Å
95T98.3Very high96.8Very high35 Ų3548.7 Ų48.722%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-121.4119.9179.8-460000110.9V46 K47 V87 T88V46-T95 CarbonylContact O-C 3.11Å; V46-T95 WeakPolarHBondContact O-CA 3.28Å; K47-T95 HydrophobicContact CB-CG2 4.27Å; V87-T95 CarbonylContact C-O 3.56Å; V87-T95 WeakPolarHBondContact CA-O 3.32Å; T88-T95 PolarHBondContact N-O 2.88Å; T88-T95 PolarHBondContact O-N 2.8Å; T88-T95 PolarHBondContact OG1-O 2.71Å
96F98.5Very high96.9Very high1 Ų146.1 Ų46.10%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-82.9137.2170.2-71.1-107.9000109.9P45 V46 L48 Y83 R86 V87 I94 S98 V99 Y107P45-F96 WeakPolarHBondContact CA-O 3.38Å; P45-F96 WeakPolarHBondContact CB-O 3.45Å; V46-F96 HydrophobicContact CG1-CB 4.06Å; V46-F96 HydrophobicContact CG1-CD2 4.32Å; V46-F96 HydrophobicContact CG1-CG 4.42Å; V46-F96 PolarHBondContact N-O 3.09Å; V46-F96 VanDerWaalsContact N-O 3.12Å; V46-F96 PolarHBondContact O-N 2.77Å; L48-F96 HydrophobicContact CD1-CE2 4.11Å; L48-F96 HydrophobicContact CG-CE2 4.49Å; Y83-F96 HydrophobicContact CD1-CE1 4.31Å; Y83-F96 HydrophobicContact CE1-CE1 4.43Å; R86-F96 CarbonylContact O-C 3.59Å; R86-F96 WeakPolarHBondContact O-CA 3.47Å; V87-F96 HydrophobicContact CG1-CE2 4.46Å; V87-F96 HydrophobicContact CG2-CD1 3.53Å; V87-F96 HydrophobicContact CG2-CD2 4.28Å; V87-F96 HydrophobicContact CG2-CE1 3.48Å; V87-F96 VanDerWaalsContact CG2-CE1 3.48Å; V87-F96 HydrophobicContact CG2-CE2 4.23Å; V87-F96 HydrophobicContact CG2-CG 3.93Å; V87-F96 HydrophobicContact CG2-CZ 3.83Å; I94-F96 HydrophobicContact CD1-CE2 3.99Å; I94-F96 HydrophobicContact CG1-CE2 4.44Å; F96-S98 VanDerWaalsContact C-N 3.35Å; F96-V99 HydrophobicContact CB-CG1 3.63Å; F96-V99 HydrophobicContact CD1-CG1 3.57Å; F96-V99 HydrophobicContact CD2-CG1 4.37Å; F96-V99 HydrophobicContact CE1-CG1 4.33Å; F96-V99 HydrophobicContact CG-CG1 3.61Å; F96-Y107 HydrophobicContact CE2-CE1 4.17Å; F96-Y107 AromaticContact CZ-CE1 3.72Å; F96-Y107 HydrophobicContact CZ-CE1 3.72Å; F96-Y107 AromaticContact CZ-CZ 3.79Å; F96-Y107 WeakPolarHBondContact CZ-OH 3.16Å
97K97.9Very high97Very high125 Ų12543.5 Ų43.554%0.54324%0.237SC..SBendtrans-72.4-32.3169.5-60.6176.2-166.8167.30111.8D85 R86D85-K97 PolarHBondContact O-NZ 2.86Å; R86-K97 WeakPolarHBondContact O-CG 3.48Å; R86-K97 PolarHBondContact O-N 3.02Å
98S97.5Very high97Very high37 Ų3743.3 Ų43.326%0.25924%0.235SC..  trans-162145.7-178.8174.90000108.1N43 N44 F96N43-S98 WeakPolarHBondContact CA-OG 3.2Å; N44-S98 WeakPolarHBondContact O-CA 3.35Å; F96-S98 VanDerWaalsContact C-N 3.35Å
99V97.8Very high97Very high0 Ų040.1 Ų40.10%022%0.216CC..  trans-123.4146.9175.8-68.20000111.7I40 E42 N43 N44 V46 F96 D103 L126 V128I40-V99 HydrophobicContact CG2-CG2 3.81Å; E42-V99 VanDerWaalsContact CG-O 3.32Å; E42-V99 WeakPolarHBondContact CG-O 3.37Å; N43-V99 PolarHBondContact N-O 2.78Å; N44-V99 PolarHBondContact O-N 2.85Å; V46-V99 HydrophobicContact CG1-CG1 3.63Å; V46-V99 HydrophobicContact CG1-CG2 4.44Å; F96-V99 HydrophobicContact CB-CG1 3.63Å; F96-V99 HydrophobicContact CD1-CG1 3.57Å; F96-V99 HydrophobicContact CD2-CG1 4.37Å; F96-V99 HydrophobicContact CE1-CG1 4.33Å; F96-V99 HydrophobicContact CG-CG1 3.61Å; V99-D103 WeakPolarHBondContact CA-OD2 3.15Å; V99-D103 HydrophobicContact CB-CB 4.22Å; V99-D103 HydrophobicContact CG1-CB 4.33Å; V99-L126 HydrophobicContact CG1-CD2 4.28Å; V99-V128 HydrophobicContact CB-CG1 4.46Å; V99-V128 HydrophobicContact CB-CG2 3.9Å; V99-V128 HydrophobicContact CG2-CB 4.44Å; V99-V128 HydrophobicContact CG2-CG1 3.83Å; V99-V128 HydrophobicContact CG2-CG2 3.74Å
100T96.4Very high97Very high49 Ų4939 Ų3930%0.30121%0.211SC..  trans-110.3167.3173.169.70000110.3E102 D103 V128T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 PolarHBondContact OG1-N 3.2Å; T100-D103 PolarHBondContact N-OD2 2.9Å; T100-D103 WeakPolarHBondContact O-CB 3.49Å; T100-D103 PolarHBondContact O-N 2.89Å; T100-V128 WeakPolarHBondContact O-CG2 3.28Å
101R94Very high97.1Very high87 Ų8735.5 Ų35.533%0.32819%0.193SC..G310 helixtrans-50.5-26.217269.4-178.373.3165.8-0.1114.5E42 D103 T104 V130 D157E42-R101 PolarHBondContact OE1-N 3.05Å; E42-R101 IonicContact OE1-NE 3.04Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 PolarHBondContact O-N 3.46Å; R101-T104 WeakPolarHBondContact O-CB 3.37Å; R101-T104 PolarHBondContact O-N 3.01Å; R101-T104 PolarHBondContact O-OG1 2.85Å; R101-V130 HydrophobicContact CB-CG2 4.14Å; R101-D157 IonicContact CZ-OD1 2.79Å; R101-D157 VanDerWaalsContact CZ-OD1 3.22Å; R101-D157 IonicContact NH1-OD1 2.69Å; R101-D157 PolarHBondContact NH1-OD1 2.95Å; R101-D157 IonicContact NH2-OD1 2.68Å; R101-D157 PolarHBondContact NH2-OD1 3.14Å
102E94.1Very high97.2Very high143 Ų14331.7 Ų31.767%0.66817%0.169SC*.G310 helixtrans-70.2-22.9179.1-59.9-173.9-17400112.7F64 Q66 T100 T104F64-E102 WeakPolarHBondContact CZ-O 3.22Å; Q66-E102 PolarHBondContact NE2-O 2.9Å; T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 PolarHBondContact OG1-N 3.2Å; E102-T104 PolarHBondContact O-N 3.18Å
103D96.8Very high97.2Very high3 Ų330 Ų302%0.01616%0.155CC..G310 helixtrans-78-4.4174.9-63-57000112.8R86 V99 T100 R101 G105 Y107 L126 V128R86-D103 IonicContact CZ-OD1 3.02Å; R86-D103 IonicContact CZ-OD2 3.77Å; R86-D103 IonicContact NH1-OD1 2.72Å; R86-D103 PolarHBondContact NH1-OD1 3.38Å; R86-D103 IonicContact NH1-OD2 2.93Å; R86-D103 PolarHBondContact NH1-OD2 2.74Å; R86-D103 IonicContact NH2-OD1 3.19Å; R86-D103 PolarHBondContact NH2-OD1 2.91Å; R86-D103 IonicContact NH2-OD2 3.45Å; V99-D103 WeakPolarHBondContact CA-OD2 3.15Å; V99-D103 HydrophobicContact CB-CB 4.22Å; V99-D103 HydrophobicContact CG1-CB 4.33Å; T100-D103 PolarHBondContact N-OD2 2.9Å; T100-D103 WeakPolarHBondContact O-CB 3.49Å; T100-D103 PolarHBondContact O-N 2.89Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 PolarHBondContact O-N 3.46Å; D103-G105 PolarHBondContact O-N 2.8Å; D103-G105 VanDerWaalsContact O-N 3.15Å; D103-Y107 WeakPolarHBondContact CB-OH 3.32Å; D103-Y107 WeakPolarHBondContact O-CE2 3.19Å; D103-Y107 PolarHBondContact O-OH 2.9Å; D103-L126 HydrophobicContact CB-CD2 4.21Å; D103-V128 HydrophobicContact CB-CG2 4.17Å
104T97.4Very high96.9Very high33 Ų3335 Ų3520%0.20218%0.178CC..  trans-67.1110.8174-70.30000110.5Q66 R101 E102 L126 I127 V128Q66-T104 PolarHBondContact NE2-O 3.17Å; R101-T104 WeakPolarHBondContact O-CB 3.37Å; R101-T104 PolarHBondContact O-N 3.01Å; R101-T104 PolarHBondContact O-OG1 2.85Å; E102-T104 PolarHBondContact O-N 3.18Å; T104-L126 CarbonylContact C-O 3.49Å; T104-L126 WeakPolarHBondContact CA-O 3.41Å; T104-I127 HydrophobicContact CG2-CG2 4.44Å; T104-V128 WeakPolarHBondContact OG1-CB 3.43Å; T104-V128 PolarHBondContact OG1-N 2.88Å
105G97.6Very high96.2Very high11 Ų1138.9 Ų38.911%0.11322%0.218CC..EExtended strand (participates in β ladder)trans179.4-170.8-17500000113.6D103 L126D103-G105 PolarHBondContact O-N 2.8Å; D103-G105 VanDerWaalsContact O-N 3.15Å; G105-L126 PolarHBondContact N-O 3.01Å; G105-L126 PolarHBondContact O-N 2.88Å
106T98.6Very high95.3Very high49 Ų4939.6 Ų39.630%0.30123%0.232SC..EExtended strand (participates in β ladder)trans-101.1116.9175.9-54.20000109.9D65 K123D65-T106 PolarHBondContact N-O 3.24Å; D65-T106 PolarHBondContact O-N 3.32Å; T106-K123 HydrophobicContact CG2-CB 4.12Å; T106-K123 HydrophobicContact CG2-CG 4.38Å
107Y98.6Very high94.5Very high0 Ų046.1 Ų46.10%027%0.267CS..EExtended strand (participates in β ladder)trans-94.6123.5172-68.2-97.7000109.2L48 K63 F64 V73 I94 F96 D103 K123 V124 L126L48-Y107 HydrophobicContact CD1-CD1 3.73Å; L48-Y107 HydrophobicContact CD1-CD2 3.42Å; L48-Y107 VanDerWaalsContact CD1-CD2 3.42Å; L48-Y107 HydrophobicContact CD1-CE1 4.18Å; L48-Y107 HydrophobicContact CD1-CE2 3.9Å; L48-Y107 HydrophobicContact CD1-CG 3.32Å; K63-Y107 CarbonylContact O-C 3.59Å; K63-Y107 VanDerWaalsContact O-CA 3.28Å; K63-Y107 WeakPolarHBondContact O-CA 3.39Å; F64-Y107 HydrophobicContact CB-CD1 4.14Å; F64-Y107 HydrophobicContact CB-CE1 3.96Å; F64-Y107 HydrophobicContact CD2-CD1 4.28Å; F64-Y107 HydrophobicContact CD2-CD2 4.23Å; F64-Y107 AromaticContact CD2-CE1 3.74Å; F64-Y107 HydrophobicContact CD2-CE1 3.74Å; F64-Y107 AromaticContact CD2-CE2 3.67Å; F64-Y107 HydrophobicContact CD2-CE2 3.67Å; F64-Y107 AromaticContact CD2-CZ 3.41Å; F64-Y107 VanDerWaalsContact CD2-CZ 3.41Å; F64-Y107 HydrophobicContact CE2-CE2 4.09Å; F64-Y107 AromaticContact CE2-CZ 3.99Å; F64-Y107 HydrophobicContact CG-CE1 4.28Å; V73-Y107 HydrophobicContact CG2-CD1 4.16Å; V73-Y107 HydrophobicContact CG2-CE1 3.99Å; I94-Y107 HydrophobicContact CD1-CD1 4.3Å; F96-Y107 HydrophobicContact CE2-CE1 4.17Å; F96-Y107 AromaticContact CZ-CE1 3.72Å; F96-Y107 HydrophobicContact CZ-CE1 3.72Å; F96-Y107 AromaticContact CZ-CZ 3.79Å; F96-Y107 WeakPolarHBondContact CZ-OH 3.16Å; D103-Y107 WeakPolarHBondContact CB-OH 3.32Å; D103-Y107 WeakPolarHBondContact O-CE2 3.19Å; D103-Y107 PolarHBondContact O-OH 2.9Å; Y107-K123 WeakPolarHBondContact O-CA 3.44Å; Y107-V124 PolarHBondContact N-O 3.02Å; Y107-V124 PolarHBondContact O-N 2.82Å; Y107-L126 HydrophobicContact CD2-CB 3.94Å; Y107-L126 HydrophobicContact CE2-CB 3.75Å; Y107-L126 HydrophobicContact CE2-CD2 3.79Å; Y107-L126 HydrophobicContact CE2-CG 4.4Å
108T98.6Very high94.2Very high0 Ų043 Ų430%026%0.256CS..EExtended strand (participates in β ladder)trans-105.5116.5173.5-48.30000109.1W62 K63 M110 E121 V122 K123W62-T108 WeakPolarHBondContact CA-O 3.45Å; K63-T108 WeakPolarHBondContact CE-OG1 3.28Å; K63-T108 PolarHBondContact N-O 3.44Å; K63-T108 PolarHBondContact O-N 2.85Å; T108-M110 HydrophobicContact CG2-CG 3.85Å; T108-E121 HydrophobicContact CG2-CB 3.99Å; T108-E121 HydrophobicContact CG2-CG 4.37Å; T108-V122 CarbonylContact C-O 3.5Å; T108-V122 WeakPolarHBondContact CA-O 3.35Å; T108-K123 HydrophobicContact CG2-CG 3.86Å
109C98.4Very high94Very high0 Ų047.3 Ų47.30%027%0.268CS..EExtended strand (participates in β ladder)trans-81.4125.3165.3-178.70000108.3C50 W62 E121 V122C50-C109 HydrophobicContact CB-CB 3.63Å; C50-C109 WeakPolarHBondContact CB-SG 3.03Å; C50-C109 WeakPolarHBondContact SG-CB 3.49Å; C50-C109 CovalentContact SG-SG 2.04Å; C50-C109 PolarHBondContact SG-SG 3.29Å; W62-C109 HydrophobicContact CD2-CB 3.87Å; W62-C109 HydrophobicContact CE3-CB 4Å; W62-C109 HydrophobicContact CH2-CB 3.8Å; W62-C109 HydrophobicContact CZ2-CB 3.63Å; W62-C109 HydrophobicContact CZ3-CB 3.96Å; C109-E121 CarbonylContact O-C 3.18Å; C109-E121 WeakPolarHBondContact O-CA 3.46Å; C109-E121 WeakPolarHBondContact O-CB 3.49Å; C109-V122 HydrophobicContact CB-CG1 3.97Å; C109-V122 PolarHBondContact N-O 2.93Å; C109-V122 PolarHBondContact O-N 3.35Å
110M97.7Very high93.9Very high28 Ų2848.3 Ų48.314%0.13828%0.276CS..EExtended strand (participates in β ladder)trans-121.1119.7-177.6-57.9172.5-59.700107E61 K63 L72 T108 Y119 E121E61-M110 HydrophobicContact CB-CE 3.92Å; E61-M110 PolarHBondContact N-O 2.83Å; E61-M110 PolarHBondContact O-N 3.26Å; K63-M110 HydrophobicContact CB-CE 4.08Å; K63-M110 HydrophobicContact CD-CE 4.23Å; K63-M110 HydrophobicContact CD-SD 3.95Å; K63-M110 HydrophobicContact CG-CE 3.86Å; K63-M110 HydrophobicContact CG-SD 4Å; L72-M110 HydrophobicContact CD2-CE 4.48Å; T108-M110 HydrophobicContact CG2-CG 3.85Å; M110-Y119 HydrophobicContact CB-CE2 4.14Å; M110-E121 HydrophobicContact CG-CB 4.3Å
111V97.6Very high93.9Very high0 Ų049.5 Ų49.50%028%0.278CS..EExtended strand (participates in β ladder)trans-119.6131.5-177.9-166.80000109V31 Y52 F55 P58 V60 Y119 A120V31-V111 HydrophobicContact CG1-CG2 4.05Å; V31-V111 HydrophobicContact CG2-CB 3.79Å; V31-V111 HydrophobicContact CG2-CG2 3.78Å; Y52-V111 HydrophobicContact CD1-CG1 4.24Å; Y52-V111 HydrophobicContact CD1-CG2 3.85Å; Y52-V111 HydrophobicContact CD2-CG1 4.2Å; Y52-V111 HydrophobicContact CE1-CG1 4.5Å; Y52-V111 HydrophobicContact CE1-CG2 4.44Å; Y52-V111 HydrophobicContact CE2-CG1 4.46Å; Y52-V111 HydrophobicContact CG-CG1 4.08Å; Y52-V111 HydrophobicContact CG-CG2 4.2Å; F55-V111 HydrophobicContact CD1-CG1 4.11Å; F55-V111 HydrophobicContact CD2-CB 4.5Å; F55-V111 HydrophobicContact CD2-CG1 3.69Å; F55-V111 HydrophobicContact CE1-CB 4.25Å; F55-V111 HydrophobicContact CE1-CG1 3.85Å; F55-V111 WeakPolarHBondContact CE1-O 3.47Å; F55-V111 HydrophobicContact CE2-CB 3.71Å; F55-V111 HydrophobicContact CE2-CG1 3.38Å; F55-V111 HydrophobicContact CG-CG1 4.03Å; F55-V111 HydrophobicContact CZ-CB 3.54Å; F55-V111 HydrophobicContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-O 3.29Å; F55-V111 WeakPolarHBondContact CZ-O 3.4Å; P58-V111 HydrophobicContact CB-CG1 4.05Å; V60-V111 HydrophobicContact CG1-CG2 4.38Å; V60-V111 HydrophobicContact CG2-CG1 4.12Å; V60-V111 HydrophobicContact CG2-CG2 4.33Å; V111-Y119 WeakPolarHBondContact O-CA 3.46Å; V111-A120 PolarHBondContact N-O 2.67Å; V111-A120 PolarHBondContact O-N 3.37Å
112S95.9Very high94.1Very high10 Ų1046.6 Ų46.67%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-137.9149.6-175.258.50000111.3R59 N118R59-S112 PolarHBondContact N-O 3.07Å; R59-S112 PolarHBondContact NH1-OG 3.33Å; R59-S112 PolarHBondContact NH2-OG 3.44Å; R59-S112 PolarHBondContact O-N 3.04Å; R59-S112 PolarHBondContact O-OG 3.34Å; R59-S112 VanDerWaalsContact O-OG 3.09Å; S112-N118 WeakPolarHBondContact CA-O 3.24Å
113E94.6Very high94.3Very high17 Ų1745.1 Ų45.18%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-74.9146.5171.3-165.866.1-114.900110.3F55 S56 S57 R59 G116 N118F55-E113 VanDerWaalsContact CA-OE2 3.3Å; F55-E113 WeakPolarHBondContact CA-OE2 3.24Å; F55-E113 HydrophobicContact CD1-CB 4.39Å; S56-E113 PolarHBondContact N-OE1 3.3Å; S56-E113 PolarHBondContact N-OE2 3.47Å; S57-E113 PolarHBondContact N-OE1 2.87Å; R59-E113 PolarHBondContact NH1-O 2.86Å; E113-G116 WeakPolarHBondContact O-CA 3.48Å; E113-G116 PolarHBondContact O-N 2.87Å; E113-N118 HydrophobicContact CB-CB 4.08Å; E113-N118 PolarHBondContact N-O 3.44Å
114E90Very high94.4Very high108 Ų10845 Ų4551%0.50526%0.261SS..THydrogen-bonded Turntrans-65.2133.6164.2-71.2-172.4136.500110.4S57 G116S57-E114 VanDerWaalsContact CB-OE2 3.31Å; S57-E114 WeakPolarHBondContact CB-OE2 3.49Å; S57-E114 PolarHBondContact O-N 2.82Å; S57-E114 PolarHBondContact OG-OE2 2.95Å; E114-G116 PolarHBondContact O-N 3.32Å
115G84.1Confident94.4Very high80 Ų8047.6 Ų47.683%0.82527%0.269SS*.THydrogen-bonded Turntrans81.2-8.9-165.500000114.8
116G78.4Confident94.5Very high50 Ų5047.1 Ų47.152%0.51526%0.264SS..SBendtrans83.88.6164.800000117E113 E114 N118E113-G116 WeakPolarHBondContact O-CA 3.48Å; E113-G116 PolarHBondContact O-N 2.87Å; E114-G116 PolarHBondContact O-N 3.32Å; G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 2.94Å
117N82.8Confident94.4Very high139 Ų13945.3 Ų45.374%0.74325%0.253SS*.SBendtrans-64.3-26.9-176.3-71.4-23000114.4
118N90.8Very high94.4Very high60 Ų6045.3 Ų45.332%0.32125%0.253SS..  trans-130146.3177.2-61.3-51.4000111.4V29 F55 S112 E113 G116V29-N118 HydrophobicContact CB-CB 4.44Å; V29-N118 HydrophobicContact CG1-CB 4.42Å; V29-N118 HydrophobicContact CG2-CB 3.69Å; V29-N118 VanDerWaalsContact CG2-CG 3.44Å; F55-N118 HydrophobicContact CD1-CB 4.32Å; F55-N118 HydrophobicContact CE1-CB 4.08Å; S112-N118 WeakPolarHBondContact CA-O 3.24Å; E113-N118 HydrophobicContact CB-CB 4.08Å; E113-N118 PolarHBondContact N-O 3.44Å; G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 2.94Å
119Y94.3Very high94.4Very high126 Ų12646.4 Ų46.449%0.49426%0.258SS..EExtended strand (participates in β ladder)trans-146.7141.2172.2176.5-90.7000110.5M110 V111 E121M110-Y119 HydrophobicContact CB-CE2 4.14Å; V111-Y119 WeakPolarHBondContact O-CA 3.46Å; Y119-E121 HydrophobicContact CE1-CB 4.26Å; Y119-E121 HydrophobicContact CE1-CG 4.38Å; Y119-E121 PolarHBondContact OH-OE2 3.46Å
120A95.6Very high94.4Very high21 Ų2147 Ų4717%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-155158.1165.300000110.9V29 V31 V111V29-A120 HydrophobicContact CG1-CB 4.31Å; V31-A120 HydrophobicContact CB-CB 3.99Å; V31-A120 HydrophobicContact CG2-CB 3.51Å; V111-A120 PolarHBondContact N-O 2.67Å; V111-A120 PolarHBondContact O-N 3.37Å
121E97.1Very high94.3Very high74 Ų7448.4 Ų48.435%0.34627%0.273SS..EExtended strand (participates in β ladder)trans-136.1154.6-179.568.1179.3-126.400112.6T108 C109 M110 Y119 K123T108-E121 HydrophobicContact CG2-CB 3.99Å; T108-E121 HydrophobicContact CG2-CG 4.37Å; C109-E121 CarbonylContact O-C 3.18Å; C109-E121 WeakPolarHBondContact O-CA 3.46Å; C109-E121 WeakPolarHBondContact O-CB 3.49Å; M110-E121 HydrophobicContact CG-CB 4.3Å; Y119-E121 HydrophobicContact CE1-CB 4.26Å; Y119-E121 HydrophobicContact CE1-CG 4.38Å; Y119-E121 PolarHBondContact OH-OE2 3.46Å; E121-K123 WeakPolarHBondContact OE1-CE 3.48Å; E121-K123 IonicContact OE1-NZ 3.14Å; E121-K123 PolarHBondContact OE1-NZ 2.76Å
122V97.6Very high94.3Very high26 Ų2648.8 Ų48.816%0.15828%0.276CS..EExtended strand (participates in β ladder)trans-133.8145.8166.2700000110.9V31 T108 C109V31-V122 HydrophobicContact CG1-CB 3.98Å; V31-V122 HydrophobicContact CG1-CG1 3.73Å; T108-V122 CarbonylContact C-O 3.5Å; T108-V122 WeakPolarHBondContact CA-O 3.35Å; C109-V122 HydrophobicContact CB-CG1 3.97Å; C109-V122 PolarHBondContact N-O 2.93Å; C109-V122 PolarHBondContact O-N 3.35Å
123K98.3Very high94.3Very high112 Ų11250.3 Ų50.349%0.48729%0.286SS..EExtended strand (participates in β ladder)trans-107.3131.3179.8-68.2174.3-179.91480109.9T106 Y107 T108 E121T106-K123 HydrophobicContact CG2-CB 4.12Å; T106-K123 HydrophobicContact CG2-CG 4.38Å; Y107-K123 WeakPolarHBondContact O-CA 3.44Å; T108-K123 HydrophobicContact CG2-CG 3.86Å; E121-K123 WeakPolarHBondContact OE1-CE 3.48Å; E121-K123 IonicContact OE1-NZ 3.14Å; E121-K123 PolarHBondContact OE1-NZ 2.76Å
124V98.4Very high94.5Very high0 Ų054.4 Ų54.40%030%0.303CS..EExtended strand (participates in β ladder)trans-125.3115.6177.9-178.90000107.4S33 V38 L48 Y107S33-V124 WeakPolarHBondContact OG-CG2 3.34Å; V38-V124 HydrophobicContact CG2-CG1 3.73Å; L48-V124 HydrophobicContact CB-CG1 4.38Å; L48-V124 HydrophobicContact CD2-CG1 4.05Å; Y107-V124 PolarHBondContact N-O 3.02Å; Y107-V124 PolarHBondContact O-N 2.82Å
125K98.4Very high94.9Very high88 Ų8849.4 Ų49.438%0.38328%0.281SS..EExtended strand (participates in β ladder)trans-87.1121.7177.1179.5179.1166.4-155.90109P36 E37 V38 I127P36-K125 PolarHBondContact O-N 3.13Å; E37-K125 CarbonylContact C-O 3.56Å; E37-K125 WeakPolarHBondContact CA-O 3.31Å; E37-K125 HydrophobicContact CB-CB 4.45Å; E37-K125 HydrophobicContact CG-CB 4.35Å; E37-K125 HydrophobicContact CG-CD 4.22Å; E37-K125 HydrophobicContact CG-CG 4.33Å; E37-K125 WeakPolarHBondContact OE2-CD 3.32Å; E37-K125 WeakPolarHBondContact OE2-CE 3.36Å; E37-K125 IonicContact OE2-NZ 3.42Å; E37-K125 PolarHBondContact OE2-NZ 2.73Å; V38-K125 PolarHBondContact N-O 3.15Å; K125-I127 HydrophobicContact CG-CG1 4.44Å
126L98.4Very high95.5Very high1 Ų150.4 Ų50.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-99.8131173.3-179.659.3000109.3V38 I40 V46 L48 V99 D103 T104 G105 Y107 V128V38-L126 HydrophobicContact CB-CD1 4.08Å; V38-L126 HydrophobicContact CG1-CD1 3.97Å; I40-L126 HydrophobicContact CG2-CD1 3.91Å; V46-L126 HydrophobicContact CG1-CD1 4.47Å; V46-L126 HydrophobicContact CG1-CD2 4.5Å; L48-L126 HydrophobicContact CD2-CB 4.44Å; L48-L126 HydrophobicContact CD2-CD1 4.25Å; L48-L126 HydrophobicContact CD2-CD2 4.48Å; V99-L126 HydrophobicContact CG1-CD2 4.28Å; D103-L126 HydrophobicContact CB-CD2 4.21Å; T104-L126 CarbonylContact C-O 3.49Å; T104-L126 WeakPolarHBondContact CA-O 3.41Å; G105-L126 PolarHBondContact N-O 3.01Å; G105-L126 PolarHBondContact O-N 2.88Å; Y107-L126 HydrophobicContact CD2-CB 3.94Å; Y107-L126 HydrophobicContact CE2-CB 3.75Å; Y107-L126 HydrophobicContact CE2-CD2 3.79Å; Y107-L126 HydrophobicContact CE2-CG 4.4Å; L126-V128 HydrophobicContact CD2-CG2 4.09Å; L126-V128 HydrophobicContact CG-CG2 4.04Å
127I97.8Very high96.5Very high12 Ų1249.4 Ų49.46%0.06225%0.254CS..EExtended strand (participates in β ladder)trans-120.8109.9168.3-49178.1000107.8E37 V38 R39 I40 T104 K125 L129E37-I127 HydrophobicContact CG-CD1 4.17Å; E37-I127 HydrophobicContact CG-CG1 4.5Å; E37-I127 WeakPolarHBondContact OE1-CD1 3.16Å; V38-I127 PolarHBondContact O-N 2.98Å; R39-I127 WeakPolarHBondContact CA-O 3.26Å; R39-I127 HydrophobicContact CG-CB 4.33Å; R39-I127 HydrophobicContact CG-CD1 4.45Å; I40-I127 PolarHBondContact N-O 2.72Å; I40-I127 VanDerWaalsContact N-O 3.16Å; T104-I127 HydrophobicContact CG2-CG2 4.44Å; K125-I127 HydrophobicContact CG-CG1 4.44Å; I127-L129 HydrophobicContact CG2-CD2 3.98Å
128V98.1Very high97.2Very high0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-83.8122.5173.7-174.60000108.5I40 E42 V99 T100 D103 T104 L126 S159I40-V128 CarbonylContact O-C 3.58Å; I40-V128 VanDerWaalsContact O-CA 3.3Å; I40-V128 WeakPolarHBondContact O-CA 3.45Å; E42-V128 HydrophobicContact CB-CG1 3.92Å; E42-V128 HydrophobicContact CG-CG1 3.96Å; V99-V128 HydrophobicContact CB-CG1 4.46Å; V99-V128 HydrophobicContact CB-CG2 3.9Å; V99-V128 HydrophobicContact CG2-CB 4.44Å; V99-V128 HydrophobicContact CG2-CG1 3.83Å; V99-V128 HydrophobicContact CG2-CG2 3.74Å; T100-V128 WeakPolarHBondContact O-CG2 3.28Å; D103-V128 HydrophobicContact CB-CG2 4.17Å; T104-V128 WeakPolarHBondContact OG1-CB 3.43Å; T104-V128 PolarHBondContact OG1-N 2.88Å; L126-V128 HydrophobicContact CD2-CG2 4.09Å; L126-V128 HydrophobicContact CG-CG2 4.04Å; V128-S159 VanDerWaalsContact O-CB 3.22Å; V128-S159 WeakPolarHBondContact O-CB 3.31Å; V128-S159 PolarHBondContact O-OG 2.86Å; V128-S159 VanDerWaalsContact O-OG 3.11Å
129L98.2Very high97.5Very high23 Ų2344.5 Ų44.512%0.1223%0.234CC..EExtended strand (participates in β ladder)trans-91.4122.3-171.3-52.4174.6000110.9R39 I40 E42 I127 S159 Y218R39-L129 HydrophobicContact CB-CD1 4.35Å; I40-L129 PolarHBondContact O-N 3.23Å; E42-L129 PolarHBondContact N-O 3.37Å; I127-L129 HydrophobicContact CG2-CD2 3.98Å; L129-S159 CarbonylContact C-O 3.59Å; L129-S159 WeakPolarHBondContact CA-O 3.34Å; L129-Y218 HydrophobicContact CB-CD1 3.66Å; L129-Y218 HydrophobicContact CB-CD2 4.04Å; L129-Y218 HydrophobicContact CB-CE1 3.79Å; L129-Y218 HydrophobicContact CB-CE2 4.19Å; L129-Y218 HydrophobicContact CB-CG 3.79Å; L129-Y218 HydrophobicContact CD1-CD2 3.83Å; L129-Y218 HydrophobicContact CD1-CE2 3.98Å; L129-Y218 HydrophobicContact CD1-CG 4.33Å; L129-Y218 HydrophobicContact CG-CD2 4.49Å
130V97.6Very high97.6Very high11 Ų1140.6 Ų40.67%0.06722%0.224CC..BIsolated β-bridgetrans-130.9128.6176.5-177.10000107.7E42 R101 D157 S159 N216E42-V130 HydrophobicContact CB-CG2 3.89Å; E42-V130 HydrophobicContact CG-CG2 4.14Å; R101-V130 HydrophobicContact CB-CG2 4.14Å; V130-D157 WeakPolarHBondContact CB-O 3.32Å; V130-D157 WeakPolarHBondContact CG1-O 3.37Å; V130-S159 PolarHBondContact N-O 3.23Å; V130-S159 PolarHBondContact O-N 2.72Å; V130-N216 PolarHBondContact O-ND2 2.79Å
131P97.2Very high97.6Very high59 Ų5944.1 Ų44.138%0.38325%0.247SC..  trans-67.5155.6176.830.8-36000111
132P97.1Very high97.6Very high8 Ų843.9 Ų43.95%0.05225%0.254CS..  trans-61.7139.9176.327.2-34.6000111E155 A214 T220 M222P132-E155 HydrophobicContact CB-CG 4.13Å; P132-A214 HydrophobicContact CB-CB 4.12Å; P132-A214 WeakPolarHBondContact CG-O 3.28Å; P132-T220 WeakPolarHBondContact CG-O 3.26Å; P132-M222 HydrophobicContact CG-CG 4.41Å; P132-M222 VanDerWaalsContact O-CG 3.28Å; P132-M222 WeakPolarHBondContact O-CG 3.31Å
133S96.3Very high97.5Very high41 Ų4143.3 Ų43.329%0.28725%0.252SS..  trans-80.2-179.4164.672.80000110.9P135 E155 D157 M222S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.32Å; S133-E155 PolarHBondContact N-OE1 2.82Å; S133-E155 VanDerWaalsContact O-CG 3.28Å; S133-E155 WeakPolarHBondContact O-CG 3.45Å; S133-E155 PolarHBondContact OG-OE1 2.58Å; S133-D157 WeakPolarHBondContact CB-OD2 3.41Å; S133-D157 PolarHBondContact OG-OD2 3.33Å; S133-M222 WeakPolarHBondContact O-CB 3.37Å
134K97.8Very high97.3Very high103 Ų10340.3 Ų40.345%0.44824%0.243SC..PPolyproline II helixtrans-71.1118.2-178.2-178.5165.3177.3170.70110.5M222 T223 N225K134-M222 HydrophobicContact CB-CE 3.99Å; K134-T223 VanDerWaalsContact CE-O 3.31Å; K134-T223 WeakPolarHBondContact CE-O 3.38Å; K134-N225 WeakPolarHBondContact CE-OD1 3.31Å; K134-N225 PolarHBondContact NZ-OD1 3.32Å
135P98Very high97.2Very high4 Ų442.7 Ų42.73%0.02626%0.255CS..PPolyproline II helixtrans-65.8138.6-177.524.2-32.3000112.1S133 S154 E155 A214 M222 S224S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.32Å; P135-S154 CarbonylContact C-O 3.53Å; P135-S154 WeakPolarHBondContact CA-O 3.06Å; P135-E155 HydrophobicContact CB-CB 4.26Å; P135-A214 HydrophobicContact CB-CB 4.14Å; P135-A214 HydrophobicContact CG-CB 3.97Å; P135-M222 WeakPolarHBondContact CD-O 3.37Å; P135-M222 VanDerWaalsContact CG-O 3.28Å; P135-M222 WeakPolarHBondContact CG-O 3.4Å; P135-S224 WeakPolarHBondContact O-CB 3.44Å
136T98Very high97Very high100 Ų10040.9 Ų40.961%0.61326%0.262SS*.EExtended strand (participates in β ladder)trans-91.5132.3172.3-61.10000109.3S154T136-S154 PolarHBondContact N-O 2.68Å; T136-S154 PolarHBondContact O-N 2.99Å; T136-S154 PolarHBondContact O-OG 3.08Å
137V98.1Very high96.9Very high29 Ų2943.5 Ų43.518%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-111.5142.5179-73.80000112.1I139 T152 C153 W166 C212 V227V137-I139 HydrophobicContact CB-CD1 3.75Å; V137-I139 HydrophobicContact CB-CG1 4.14Å; V137-I139 HydrophobicContact CG1-CD1 4.24Å; V137-I139 HydrophobicContact CG2-CD1 3.85Å; V137-T152 CarbonylContact C-O 3.46Å; V137-T152 WeakPolarHBondContact CA-O 3.48Å; V137-C153 HydrophobicContact CG1-CB 4.14Å; V137-W166 HydrophobicContact CG1-CH2 4.18Å; V137-C212 WeakPolarHBondContact CG1-SG 3.25Å; V137-V227 HydrophobicContact CG2-CG2 4.03Å
138S98.1Very high96.8Very high76 Ų7649.8 Ų49.853%0.53130%0.299SS..EExtended strand (participates in β ladder)trans-113.4108.6166-169.30000108.3L151 T152S138-L151 WeakPolarHBondContact O-CA 3.44Å; S138-T152 WeakPolarHBondContact CB-OG1 3.37Å; S138-T152 PolarHBondContact N-O 3.48Å; S138-T152 PolarHBondContact O-N 3.47Å
139I97.9Very high96.8Very high20 Ų2050.2 Ų50.210%0.10330%0.302CS..  trans-135.3121.2-175.4-63.1162.3000106.4V137 L151 W166 V227 M229V137-I139 HydrophobicContact CB-CD1 3.75Å; V137-I139 HydrophobicContact CB-CG1 4.14Å; V137-I139 HydrophobicContact CG1-CD1 4.24Å; V137-I139 HydrophobicContact CG2-CD1 3.85Å; I139-L151 HydrophobicContact CB-CG 4.38Å; I139-L151 HydrophobicContact CG1-CB 4.28Å; I139-L151 HydrophobicContact CG1-CD2 4.04Å; I139-L151 HydrophobicContact CG1-CG 4.03Å; I139-L151 HydrophobicContact CG2-CD2 4.02Å; I139-L151 HydrophobicContact CG2-CG 4.19Å; I139-W166 HydrophobicContact CD1-CH2 4.11Å; I139-W166 HydrophobicContact CD1-CZ3 3.93Å; I139-W166 HydrophobicContact CG1-CH2 4.11Å; I139-W166 HydrophobicContact CG1-CZ3 4.32Å; I139-V227 HydrophobicContact CB-CB 3.99Å; I139-V227 HydrophobicContact CB-CG1 3.95Å; I139-V227 HydrophobicContact CD1-CB 3.77Å; I139-V227 HydrophobicContact CD1-CG2 4.05Å; I139-V227 HydrophobicContact CG1-CB 4.48Å; I139-V227 HydrophobicContact CG2-CB 4.05Å; I139-V227 HydrophobicContact CG2-CG1 3.91Å; I139-M229 HydrophobicContact CG2-CB 4.06Å
140P96.3Very high96.8Very high45 Ų4551.5 Ų51.529%0.29231%0.311SS..  trans-71.3139.6177.930.6-33.9000110.1S142 A143 M229P140-S142 VanDerWaalsContact C-N 3.26Å; P140-S142 PolarHBondContact O-N 2.88Å; P140-A143 HydrophobicContact CG-CB 4.25Å; P140-M229 HydrophobicContact CG-SD 4.06Å; P140-M229 WeakPolarHBondContact O-CB 3.32Å; P140-M229 WeakPolarHBondContact O-CG 3.33Å
141S95.8Very high96.8Very high94 Ų9451 Ų5166%0.65731%0.308SS*.SBendtrans-63.6-33.3176.650.70000112.4E230S141-E230 PolarHBondContact O-N 2.92Å
142S95.6Very high96.9Very high69 Ų6950.4 Ų50.448%0.48330%0.304SS..EExtended strand (participates in β ladder)trans-141.8147.8168.561.70000112.3P140 E230P140-S142 VanDerWaalsContact C-N 3.26Å; P140-S142 PolarHBondContact O-N 2.88Å; S142-E230 CarbonylContact C-O 3.4Å; S142-E230 WeakPolarHBondContact CA-O 3.35Å
143A95.7Very high96.9Very high15 Ų1550.1 Ų50.112%0.12430%0.302CS..EExtended strand (participates in β ladder)trans-139.2151.8176.500000110.3P140 A149 L202 M229 E230 A231 V232P140-A143 HydrophobicContact CG-CB 4.25Å; A143-A149 HydrophobicContact CB-CB 4.14Å; A143-L202 HydrophobicContact CB-CD2 3.49Å; A143-L202 VanDerWaalsContact CB-CD2 3.49Å; A143-M229 HydrophobicContact CB-SD 4.13Å; A143-E230 PolarHBondContact N-O 3.03Å; A143-A231 CarbonylContact O-C 3.59Å; A143-A231 WeakPolarHBondContact O-CA 3.43Å; A143-V232 PolarHBondContact O-N 3.42Å
144T95.3Very high97Very high49 Ų4950.6 Ų50.630%0.30131%0.305SS..EExtended strand (participates in β ladder)trans-85.2127.3-170.5-52.60000112.2G146 N147 V232 R234T144-G146 PolarHBondContact O-N 3.29Å; T144-N147 WeakPolarHBondContact CB-ND2 3.26Å; T144-N147 WeakPolarHBondContact O-CB 3.31Å; T144-N147 PolarHBondContact O-N 2.83Å; T144-N147 VanDerWaalsContact O-N 3.11Å; T144-V232 CarbonylContact C-O 3.53Å; T144-V232 WeakPolarHBondContact CA-O 3.48Å; T144-R234 HydrophobicContact CG2-CG 3.3Å
145I96Very high96.9Very high49 Ų4946.7 Ų46.725%0.25129%0.288SS..THydrogen-bonded Turntrans-56.1136.1174-68.2166.7000110.2N147 A204 A231 V232 E233I145-N147 VanDerWaalsContact C-N 3.26Å; I145-N147 PolarHBondContact O-N 3.49Å; I145-A204 HydrophobicContact CD1-CB 3.86Å; I145-A231 HydrophobicContact CD1-CB 4.28Å; I145-A231 WeakPolarHBondContact CD1-O 3.31Å; I145-A231 HydrophobicContact CG1-CB 3.8Å; I145-V232 PolarHBondContact N-O 2.97Å; I145-E233 HydrophobicContact CD1-CG 3.85Å
146G94.8Very high96.5Very high51 Ų5155.2 Ų55.253%0.52633%0.325SS..THydrogen-bonded Turntrans81.4-8.8-177.300000115.3T144 L202T144-G146 PolarHBondContact O-N 3.29Å; G146-L202 PolarHBondContact N-O 3.35Å
147N95.1Very high96.2Very high55 Ų5553 Ų5329%0.29431%0.31SS..SBendtrans-89.5162.6169.4-67.54.8000110.9T144 I145 L202 R234T144-N147 WeakPolarHBondContact CB-ND2 3.26Å; T144-N147 WeakPolarHBondContact O-CB 3.31Å; T144-N147 PolarHBondContact O-N 2.83Å; T144-N147 VanDerWaalsContact O-N 3.11Å; I145-N147 VanDerWaalsContact C-N 3.26Å; I145-N147 PolarHBondContact O-N 3.49Å; N147-L202 WeakPolarHBondContact O-CB 3.46Å; N147-L202 PolarHBondContact O-N 2.87Å; N147-R234 PolarHBondContact ND2-NH2 3.48Å; N147-R234 PolarHBondContact OD1-NE 3.47Å; N147-R234 PolarHBondContact OD1-NH2 3.4Å
148R96.9Very high96.1Very high144 Ų14452.3 Ų52.354%0.54331%0.308SS..  trans-68.7135.2161.4-175.1178.6-179.4-103.3-3110.7V150 V198 F199 D200R148-V150 VanDerWaalsContact NH1-CG2 3.34Å; R148-V198 HydrophobicContact CG-CG1 4.12Å; R148-F199 CarbonylContact C-O 3.54Å; R148-F199 VanDerWaalsContact CA-O 3.27Å; R148-F199 WeakPolarHBondContact CA-O 3.44Å; R148-D200 HydrophobicContact CB-CB 4.39Å; R148-D200 VanDerWaalsContact CD-OD2 3.31Å; R148-D200 WeakPolarHBondContact CD-OD2 3.27Å; R148-D200 HydrophobicContact CG-CB 4.1Å; R148-D200 WeakPolarHBondContact CG-OD2 3.41Å; R148-D200 IonicContact NE-OD2 2.74Å
149A97.3Very high96Very high9 Ų949.3 Ų49.37%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-124.3147.8170.800000110.6A143 V198 F199 L202A143-A149 HydrophobicContact CB-CB 4.14Å; A149-V198 CarbonylContact O-C 3.58Å; A149-V198 WeakPolarHBondContact O-CA 3.49Å; A149-F199 HydrophobicContact CB-CB 4.37Å; A149-F199 PolarHBondContact N-O 2.96Å; A149-F199 PolarHBondContact O-N 2.82Å; A149-L202 HydrophobicContact CB-CD1 4.28Å; A149-L202 HydrophobicContact CB-CD2 4.42Å
150V97.9Very high95.8Very high51 Ų5150 Ų5031%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-130.3125178.8-176.40000109.1R148 T152 V198R148-V150 VanDerWaalsContact NH1-CG2 3.34Å; V150-T152 HydrophobicContact CG1-CG2 4.1Å; V150-V198 HydrophobicContact CG1-CG2 4.29Å; V150-V198 HydrophobicContact CG2-CG1 4.4Å; V150-V198 HydrophobicContact CG2-CG2 4.26Å
151L98.3Very high95.7Very high0 Ų053.1 Ų53.10%031%0.313CS..EExtended strand (participates in β ladder)trans-110.4142.9169.7-72.161.9000107S138 I139 W166 L197 F199 Y210 M229S138-L151 WeakPolarHBondContact O-CA 3.44Å; I139-L151 HydrophobicContact CB-CG 4.38Å; I139-L151 HydrophobicContact CG1-CB 4.28Å; I139-L151 HydrophobicContact CG1-CD2 4.04Å; I139-L151 HydrophobicContact CG1-CG 4.03Å; I139-L151 HydrophobicContact CG2-CD2 4.02Å; I139-L151 HydrophobicContact CG2-CG 4.19Å; L151-W166 HydrophobicContact CB-CH2 3.81Å; L151-W166 HydrophobicContact CB-CZ2 4.07Å; L151-W166 HydrophobicContact CB-CZ3 4.48Å; L151-W166 HydrophobicContact CD2-CH2 4.45Å; L151-W166 HydrophobicContact CD2-CZ3 4.35Å; L151-L197 HydrophobicContact CB-CB 4.21Å; L151-L197 HydrophobicContact CD2-CD2 4.04Å; L151-L197 PolarHBondContact N-O 2.89Å; L151-L197 PolarHBondContact O-N 3.35Å; L151-F199 HydrophobicContact CD1-CD2 4.04Å; L151-F199 HydrophobicContact CD1-CE2 3.85Å; L151-F199 HydrophobicContact CD2-CE2 4.17Å; L151-Y210 HydrophobicContact CD2-CD1 3.99Å; L151-Y210 HydrophobicContact CD2-CD2 4.29Å; L151-Y210 HydrophobicContact CD2-CE1 4.44Å; L151-Y210 HydrophobicContact CD2-CG 3.9Å; L151-M229 HydrophobicContact CD1-CE 4.29Å; L151-M229 HydrophobicContact CD1-SD 3.84Å
152T98.3Very high95.7Very high47 Ų4749 Ų4929%0.28828%0.284SS..EExtended strand (participates in β ladder)trans-127.8148.9176.370.60000111.6V137 S138 V150 E196V137-T152 CarbonylContact C-O 3.46Å; V137-T152 WeakPolarHBondContact CA-O 3.48Å; S138-T152 WeakPolarHBondContact CB-OG1 3.37Å; S138-T152 PolarHBondContact N-O 3.48Å; S138-T152 PolarHBondContact O-N 3.47Å; V150-T152 HydrophobicContact CG1-CG2 4.1Å; T152-E196 HydrophobicContact CG2-CG 4.34Å
153C98.1Very high95.8Very high1 Ų149.8 Ų49.81%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-129.3132.2172.8175.80000107.4V137 Y164 W166 G195 C212V137-C153 HydrophobicContact CG1-CB 4.14Å; C153-Y164 HydrophobicContact CB-CD1 4.28Å; C153-Y164 WeakPolarHBondContact SG-CD1 3.43Å; C153-W166 HydrophobicContact CB-CH2 4.23Å; C153-W166 HydrophobicContact CB-CZ2 3.62Å; C153-G195 PolarHBondContact N-O 2.85Å; C153-G195 WeakPolarHBondContact O-CA 3.42Å; C153-C212 HydrophobicContact CB-CB 3.65Å; C153-C212 WeakPolarHBondContact CB-SG 3.38Å; C153-C212 WeakPolarHBondContact SG-CB 3.48Å; C153-C212 CovalentContact SG-SG 2.02Å; C153-C212 PolarHBondContact SG-SG 2.99Å
154S97.1Very high95.9Very high52 Ų5250.1 Ų50.136%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-150.3143.9-177.460.50000113.2P135 T136P135-S154 CarbonylContact C-O 3.53Å; P135-S154 WeakPolarHBondContact CA-O 3.06Å; T136-S154 PolarHBondContact N-O 2.68Å; T136-S154 PolarHBondContact O-N 2.99Å; T136-S154 PolarHBondContact O-OG 3.08Å
155E95.8Very high96.1Very high20 Ų2049.3 Ų49.39%0.09327%0.274CS..  trans-140.8153.1-175.9-165.8-82120.900107.3P132 S133 P135 D157 G158 S162 Y164 A214P132-E155 HydrophobicContact CB-CG 4.13Å; S133-E155 PolarHBondContact N-OE1 2.82Å; S133-E155 VanDerWaalsContact O-CG 3.28Å; S133-E155 WeakPolarHBondContact O-CG 3.45Å; S133-E155 PolarHBondContact OG-OE1 2.58Å; P135-E155 HydrophobicContact CB-CB 4.26Å; E155-D157 WeakPolarHBondContact OE1-CA 3.44Å; E155-D157 WeakPolarHBondContact OE1-CB 3.45Å; E155-D157 PolarHBondContact OE1-N 3.05Å; E155-G158 PolarHBondContact OE1-N 3.2Å; E155-G158 WeakPolarHBondContact OE2-CA 3.45Å; E155-G158 PolarHBondContact OE2-N 3.47Å; E155-S162 WeakPolarHBondContact OE2-CB 3.34Å; E155-S162 PolarHBondContact OE2-OG 3.5Å; E155-Y164 HydrophobicContact CB-CE1 3.86Å; E155-Y164 PolarHBondContact N-OH 3.23Å; E155-Y164 PolarHBondContact O-OH 3.39Å; E155-A214 HydrophobicContact CB-CB 4.05Å; E155-A214 HydrophobicContact CG-CB 3.97Å
156K90.8Very high96.2Very high183 Ų18347.1 Ų47.180%0.79626%0.262SS*.SBendtrans-138.2-5.7-164.6-69.5-171.1178-177.70115.7
157D92Very high96.3Very high54 Ų5446.4 Ų46.429%0.28925%0.245SC..SBendtrans-106.4-30.7-175-62.8-75.6000112.5R101 V130 S133 E155 S159R101-D157 IonicContact CZ-OD1 2.79Å; R101-D157 VanDerWaalsContact CZ-OD1 3.22Å; R101-D157 IonicContact NH1-OD1 2.69Å; R101-D157 PolarHBondContact NH1-OD1 2.95Å; R101-D157 IonicContact NH2-OD1 2.68Å; R101-D157 PolarHBondContact NH2-OD1 3.14Å; V130-D157 WeakPolarHBondContact CB-O 3.32Å; V130-D157 WeakPolarHBondContact CG1-O 3.37Å; S133-D157 WeakPolarHBondContact CB-OD2 3.41Å; S133-D157 PolarHBondContact OG-OD2 3.33Å; E155-D157 WeakPolarHBondContact OE1-CA 3.44Å; E155-D157 WeakPolarHBondContact OE1-CB 3.45Å; E155-D157 PolarHBondContact OE1-N 3.05Å; D157-S159 PolarHBondContact O-N 2.86Å
158G94.6Very high96.5Very high14 Ų1445.1 Ų45.114%0.14424%0.237CC..  trans-53.3120.817800000112.9E155 P160E155-G158 PolarHBondContact OE1-N 3.2Å; E155-G158 WeakPolarHBondContact OE2-CA 3.45Å; E155-G158 PolarHBondContact OE2-N 3.47Å; G158-P160 CarbonylContact C-O 3.5Å; G158-P160 CarbonylContact O-C 3.55Å; G158-P160 VanDerWaalsContact O-O 3.11Å
159S96.1Very high96.5Very high13 Ų1342.3 Ų42.39%0.09123%0.232CC..BIsolated β-bridgetrans-129.9117.8171.3-159.10000109V128 L129 V130 D157 N216V128-S159 VanDerWaalsContact O-CB 3.22Å; V128-S159 WeakPolarHBondContact O-CB 3.31Å; V128-S159 PolarHBondContact O-OG 2.86Å; V128-S159 VanDerWaalsContact O-OG 3.11Å; L129-S159 CarbonylContact C-O 3.59Å; L129-S159 WeakPolarHBondContact CA-O 3.34Å; V130-S159 PolarHBondContact N-O 3.23Å; V130-S159 PolarHBondContact O-N 2.72Å; D157-S159 PolarHBondContact O-N 2.86Å; S159-N216 PolarHBondContact N-ND2 2.89Å; S159-N216 PolarHBondContact O-ND2 3.11Å
160P94.8Very high96.4Very high36 Ų3644.9 Ų44.923%0.23426%0.26CS..SBendcis-60.7167.5-1.329.9-36.8000112.9G158 N216G158-P160 CarbonylContact C-O 3.5Å; G158-P160 CarbonylContact O-C 3.55Å; G158-P160 VanDerWaalsContact O-O 3.11Å; P160-N216 HydrophobicContact CG-CB 4.34Å; P160-N216 WeakPolarHBondContact O-CB 3.31Å; P160-N216 PolarHBondContact O-ND2 3.4Å
161P93.7Very high96.3Very high110 Ų11047.1 Ų47.171%0.71427%0.269SS*.PPolyproline II helixtrans-56143.2-179.5-2735.9000113.4
162S96.7Very high96.3Very high6 Ų650.8 Ų50.84%0.04229%0.292CS..PPolyproline II helixtrans-74.3138.9-176.4-67.40000113.8E155 Y164E155-S162 WeakPolarHBondContact OE2-CB 3.34Å; E155-S162 PolarHBondContact OE2-OG 3.5Å; S162-Y164 WeakPolarHBondContact O-CE2 3.39Å
163E97.3Very high96.2Very high87 Ų8748.9 Ų48.941%0.40728%0.28SS..EExtended strand (participates in β ladder)trans-86.2146.1159.7-69.1179.2-168.200110P192 R215E163-P192 CarbonylContact C-O 3.59Å; E163-P192 VanDerWaalsContact CA-O 3.25Å; E163-P192 WeakPolarHBondContact CA-O 3.47Å; E163-R215 PolarHBondContact N-O 2.83Å; E163-R215 WeakPolarHBondContact O-CG 3.46Å; E163-R215 PolarHBondContact O-N 2.91Å; E163-R215 IonicContact OE2-CZ 3.23Å; E163-R215 IonicContact OE2-NH1 2.72Å; E163-R215 PolarHBondContact OE2-NH1 2.95Å; E163-R215 IonicContact OE2-NH2 3.22Å; E163-R215 PolarHBondContact OE2-NH2 3.34Å
164Y98Very high96Very high21 Ų2150.2 Ų50.28%0.08229%0.288CS..EExtended strand (participates in β ladder)trans-112.3129.5-175.7-56.7-78000111.9C153 E155 S162 P192 G195 E213 A214C153-Y164 HydrophobicContact CB-CD1 4.28Å; C153-Y164 WeakPolarHBondContact SG-CD1 3.43Å; E155-Y164 HydrophobicContact CB-CE1 3.86Å; E155-Y164 PolarHBondContact N-OH 3.23Å; E155-Y164 PolarHBondContact O-OH 3.39Å; S162-Y164 WeakPolarHBondContact O-CE2 3.39Å; Y164-P192 WeakPolarHBondContact CD2-O 3.41Å; Y164-P192 PolarHBondContact N-O 3.49Å; Y164-G195 VanDerWaalsContact CD2-CA 3.45Å; Y164-E213 CarbonylContact C-O 3.6Å; Y164-E213 WeakPolarHBondContact CA-O 3.35Å; Y164-A214 HydrophobicContact CD1-CB 4.06Å; Y164-A214 HydrophobicContact CE1-CB 3.99Å
165T98.1Very high95.8Very high33 Ų3352.2 Ų52.220%0.20230%0.298CS..EExtended strand (participates in β ladder)trans-110.1119.3172.1-58.30000109F167 V172 C212 E213T165-F167 HydrophobicContact CG2-CE2 3.84Å; T165-F167 HydrophobicContact CG2-CZ 4.12Å; T165-F167 WeakPolarHBondContact O-CD2 3.34Å; T165-F167 WeakPolarHBondContact O-CE2 3.49Å; T165-V172 HydrophobicContact CG2-CG1 3.81Å; T165-V172 HydrophobicContact CG2-CG2 4.48Å; T165-C212 CarbonylContact O-C 3.59Å; T165-C212 WeakPolarHBondContact O-CA 3.47Å; T165-E213 PolarHBondContact N-O 2.81Å; T165-E213 PolarHBondContact O-N 2.86Å
166W98.4Very high95.6Very high2 Ų255.6 Ų55.61%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-86.1146.9176.5-84.398.2000111.8V137 I139 L151 C153 M173 G195 L197 S211 C212V137-W166 HydrophobicContact CG1-CH2 4.18Å; I139-W166 HydrophobicContact CD1-CH2 4.11Å; I139-W166 HydrophobicContact CD1-CZ3 3.93Å; I139-W166 HydrophobicContact CG1-CH2 4.11Å; I139-W166 HydrophobicContact CG1-CZ3 4.32Å; L151-W166 HydrophobicContact CB-CH2 3.81Å; L151-W166 HydrophobicContact CB-CZ2 4.07Å; L151-W166 HydrophobicContact CB-CZ3 4.48Å; L151-W166 HydrophobicContact CD2-CH2 4.45Å; L151-W166 HydrophobicContact CD2-CZ3 4.35Å; C153-W166 HydrophobicContact CB-CH2 4.23Å; C153-W166 HydrophobicContact CB-CZ2 3.62Å; W166-M173 HydrophobicContact CB-CB 4.2Å; W166-M173 HydrophobicContact CB-CG 4.35Å; W166-M173 HydrophobicContact CB-SD 3.98Å; W166-M173 PolarHBondContact O-N 2.89Å; W166-G195 WeakPolarHBondContact CZ2-O 3.32Å; W166-G195 PolarHBondContact NE1-O 2.97Å; W166-L197 HydrophobicContact CB-CD2 4.4Å; W166-L197 HydrophobicContact CD2-CB 4.03Å; W166-L197 HydrophobicContact CD2-CD2 3.72Å; W166-L197 HydrophobicContact CE3-CD2 3.84Å; W166-L197 HydrophobicContact CG-CB 4.2Å; W166-L197 HydrophobicContact CG-CD2 3.99Å; W166-L197 HydrophobicContact CZ2-CB 4.06Å; W166-L197 HydrophobicContact CZ3-CD2 4.39Å; W166-S211 VanDerWaalsContact CE3-O 3.25Å; W166-C212 HydrophobicContact CD2-CB 4.17Å; W166-C212 HydrophobicContact CE3-CB 4.21Å; W166-C212 HydrophobicContact CZ3-CB 4.5Å
167F98.3Very high95.4Very high37 Ų3747.6 Ų47.616%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-127.8145.2176.6-61.9-107.8000109.7T165 I171 V172 Y210 S211 E213T165-F167 HydrophobicContact CG2-CE2 3.84Å; T165-F167 HydrophobicContact CG2-CZ 4.12Å; T165-F167 WeakPolarHBondContact O-CD2 3.34Å; T165-F167 WeakPolarHBondContact O-CE2 3.49Å; F167-I171 CarbonylContact C-O 3.53Å; F167-I171 VanDerWaalsContact CA-O 3.27Å; F167-I171 WeakPolarHBondContact CA-O 3.48Å; F167-V172 HydrophobicContact CD1-CG2 3.86Å; F167-V172 HydrophobicContact CE1-CG2 3.4Å; F167-V172 HydrophobicContact CZ-CG2 3.95Å; F167-Y210 WeakPolarHBondContact O-CA 3.41Å; F167-S211 PolarHBondContact N-O 2.65Å; F167-S211 PolarHBondContact O-N 3Å; F167-S211 VanDerWaalsContact O-N 3.16Å; F167-E213 HydrophobicContact CE2-CB 3.69Å; F167-E213 HydrophobicContact CZ-CB 4.32Å
168K97.9Very high95.3Very high28 Ų2853 Ų5312%0.12231%0.305CS..EExtended strand (participates in β ladder)trans-129.1125.8168.8-169.7-158.5179.8-150.30109.2G170 I171 M173 F183 S205 T207 E209 Y210K168-G170 PolarHBondContact O-N 2.85Å; K168-G170 VanDerWaalsContact O-N 3.16Å; K168-I171 PolarHBondContact N-O 2.88Å; K168-I171 WeakPolarHBondContact O-CA 3.01Å; K168-I171 WeakPolarHBondContact O-CB 3.35Å; K168-I171 PolarHBondContact O-N 2.83Å; K168-M173 HydrophobicContact CB-CG 4.09Å; K168-M173 HydrophobicContact CB-SD 4Å; K168-F183 HydrophobicContact CB-CE1 4.06Å; K168-F183 HydrophobicContact CB-CZ 4.31Å; K168-F183 HydrophobicContact CD-CE1 4.18Å; K168-S205 PolarHBondContact NZ-O 2.8Å; K168-T207 WeakPolarHBondContact CE-O 3.34Å; K168-T207 PolarHBondContact NZ-O 2.76Å; K168-E209 CarbonylContact C-O 3.51Å; K168-E209 WeakPolarHBondContact CA-O 3.37Å; K168-Y210 HydrophobicContact CB-CD1 4.17Å; K168-Y210 HydrophobicContact CB-CE1 3.83Å; K168-Y210 HydrophobicContact CD-CE1 4.2Å; K168-Y210 HydrophobicContact CD-CE2 4.46Å; K168-Y210 WeakPolarHBondContact CD-OH 3.34Å; K168-Y210 WeakPolarHBondContact CE-OH 3.02Å; K168-Y210 HydrophobicContact CG-CD1 4.19Å; K168-Y210 HydrophobicContact CG-CE1 3.66Å; K168-Y210 HydrophobicContact CG-CE2 4.04Å
169D97.3Very high95.1Very high84 Ų8455.8 Ų55.845%0.44932%0.322SS..THydrogen-bonded Turntrans52.935.3-179.5-50.5-52.9000111.9I171 G208 E209D169-I171 VanDerWaalsContact C-N 3.31Å; D169-I171 PolarHBondContact O-N 2.88Å; D169-G208 WeakPolarHBondContact OD1-CA 3.39Å; D169-E209 PolarHBondContact N-O 3.23Å; D169-E209 PolarHBondContact OD1-N 3Å
170G96Very high94.6Very high64 Ų6457.8 Ų57.866%0.6633%0.334SS*.THydrogen-bonded Turntrans80.7-5.1-174.700000116K168K168-G170 PolarHBondContact O-N 2.85Å; K168-G170 VanDerWaalsContact O-N 3.16Å
171I95.9Very high94.2Very high97 Ų9767.5 Ų67.550%0.49737%0.365SS..EExtended strand (participates in β ladder)trans-95.8128.9-177.4-52.7177.3000110.3F167 K168 D169 M173 F183F167-I171 CarbonylContact C-O 3.53Å; F167-I171 VanDerWaalsContact CA-O 3.27Å; F167-I171 WeakPolarHBondContact CA-O 3.48Å; K168-I171 PolarHBondContact N-O 2.88Å; K168-I171 WeakPolarHBondContact O-CA 3.01Å; K168-I171 WeakPolarHBondContact O-CB 3.35Å; K168-I171 PolarHBondContact O-N 2.83Å; D169-I171 VanDerWaalsContact C-N 3.31Å; D169-I171 PolarHBondContact O-N 2.88Å; I171-M173 PolarHBondContact O-N 2.02Å; I171-F183 HydrophobicContact CB-CZ 4.42Å; I171-F183 HydrophobicContact CG2-CE2 3.98Å; I171-F183 HydrophobicContact CG2-CZ 4.2Å
172V96.9Very high93.9Very high78 Ų7865.8 Ų65.847%0.47336%0.36SS..EExtended strand (participates in β ladder)trans-57.5127.1174.1176.20000110.8T165 F167 P174 F183T165-V172 HydrophobicContact CG2-CG1 3.81Å; T165-V172 HydrophobicContact CG2-CG2 4.48Å; F167-V172 HydrophobicContact CD1-CG2 3.86Å; F167-V172 HydrophobicContact CE1-CG2 3.4Å; F167-V172 HydrophobicContact CZ-CG2 3.95Å; V172-P174 WeakPolarHBondContact O-CD 3.25Å; V172-F183 WeakPolarHBondContact O-CE2 3.45Å
173M96.8Very high93.6Very high7 Ų766.2 Ų66.23%0.03436%0.362CS..PPolyproline II helixtrans-82.6117.9174.9-62.1-175.668.100110W166 K168 I171 F183 Y188 L190 L197 F199 Y210W166-M173 HydrophobicContact CB-CB 4.2Å; W166-M173 HydrophobicContact CB-CG 4.35Å; W166-M173 HydrophobicContact CB-SD 3.98Å; W166-M173 PolarHBondContact O-N 2.89Å; K168-M173 HydrophobicContact CB-CG 4.09Å; K168-M173 HydrophobicContact CB-SD 4Å; I171-M173 PolarHBondContact O-N 2.02Å; M173-F183 HydrophobicContact CB-CZ 4.46Å; M173-F183 HydrophobicContact CE-CD1 4.5Å; M173-F183 HydrophobicContact CE-CE1 4.31Å; M173-F183 HydrophobicContact CG-CE1 3.86Å; M173-F183 HydrophobicContact CG-CZ 3.83Å; M173-Y188 HydrophobicContact CE-CD1 3.45Å; M173-Y188 VanDerWaalsContact CE-CD1 3.45Å; M173-Y188 HydrophobicContact CE-CD2 4.28Å; M173-Y188 HydrophobicContact CE-CE1 3.31Å; M173-Y188 HydrophobicContact CE-CE2 4.2Å; M173-Y188 HydrophobicContact CE-CG 3.97Å; M173-L190 HydrophobicContact CB-CD2 4.04Å; M173-L197 HydrophobicContact CE-CD1 3.82Å; M173-L197 HydrophobicContact CE-CD2 3.93Å; M173-L197 HydrophobicContact SD-CD2 3.76Å; M173-F199 HydrophobicContact CE-CZ 4.34Å; M173-Y210 HydrophobicContact CE-CE1 4.16Å; M173-Y210 HydrophobicContact SD-CD1 4.06Å; M173-Y210 HydrophobicContact SD-CE1 3.72Å
174P94.5Very high93.3Very high29 Ų2964.3 Ų64.319%0.18836%0.358CS..PPolyproline II helixtrans-70.9146.3177.929.4-35.7000111.5V172 N176 S179 T180 F183 Y188V172-P174 WeakPolarHBondContact O-CD 3.25Å; P174-N176 CarbonylContact O-C 3.53Å; P174-N176 PolarHBondContact O-N 3.05Å; P174-S179 WeakPolarHBondContact CB-OG 3.32Å; P174-T180 HydrophobicContact CG-CG2 4.02Å; P174-F183 HydrophobicContact CG-CD2 4.01Å; P174-Y188 VanDerWaalsContact CD-OH 3.24Å; P174-Y188 WeakPolarHBondContact CD-OH 3.21Å; P174-Y188 VanDerWaalsContact O-CE2 3.31Å; P174-Y188 WeakPolarHBondContact O-CE2 3.36Å; P174-Y188 PolarHBondContact O-OH 2.83Å
175T91.9Very high93Very high94 Ų9469.6 Ų69.658%0.57739%0.388SS*.SBendtrans-55.1-25.8-179.3-39.90000114.1L190 P192T175-L190 HydrophobicContact CG2-CD1 3.96Å; T175-P192 HydrophobicContact CG2-CG 4.41Å
176N90.9Very high92.7Very high91 Ų9168.6 Ų68.649%0.48738%0.382SS..SBendtrans-116.9114170.5176.3-6.6000109.2P174 K178 S179P174-N176 CarbonylContact O-C 3.53Å; P174-N176 PolarHBondContact O-N 3.05Å; N176-K178 PolarHBondContact O-N 2.89Å; N176-K178 WeakPolarHBondContact OD1-CB 3.49Å; N176-K178 PolarHBondContact OD1-N 3.28Å; N176-S179 WeakPolarHBondContact O-CB 3.42Å; N176-S179 PolarHBondContact O-N 3.26Å; N176-S179 VanDerWaalsContact O-N 3.12Å; N176-S179 PolarHBondContact O-OG 2.84Å
177P88.1Confident92.5Very high14 Ų1470.5 Ų70.59%0.09140%0.396CS..G310 helixtrans-57-36-179.419.9-31.7000113.1S179 T180 F183 S184 S186 Y188P177-S179 PolarHBondContact O-N 3.16Å; P177-S179 VanDerWaalsContact O-N 3.15Å; P177-T180 PolarHBondContact O-N 2.82Å; P177-F183 HydrophobicContact CB-CB 4.28Å; P177-F183 WeakPolarHBondContact CB-O 3.39Å; P177-F183 CarbonylContact O-C 3.31Å; P177-F183 VanDerWaalsContact O-C 3.31Å; P177-S184 PolarHBondContact O-N 2.91Å; P177-S186 WeakPolarHBondContact CB-O 3.4Å; P177-Y188 HydrophobicContact CB-CD1 4.11Å; P177-Y188 HydrophobicContact CB-CE1 3.69Å; P177-Y188 HydrophobicContact CB-CE2 4.18Å; P177-Y188 HydrophobicContact CG-CD2 4.47Å; P177-Y188 HydrophobicContact CG-CE2 4.33Å; P177-Y188 WeakPolarHBondContact CG-O 3.43Å
178K90.1Very high92.5Very high169 Ų16969 Ų6974%0.73539%0.389SS*.G310 helixtrans-73.6-3.7-176.9-58.6-171.9179.5-1770114N176 T180N176-K178 PolarHBondContact O-N 2.89Å; N176-K178 WeakPolarHBondContact OD1-CB 3.49Å; N176-K178 PolarHBondContact OD1-N 3.28Å; K178-T180 VanDerWaalsContact C-N 3.34Å
179S88.9Confident92.4Very high72 Ų7272.6 Ų72.650%0.50341%0.413SS..G310 helixtrans-75-18.7175.8650000114.1P174 N176 P177P174-S179 WeakPolarHBondContact CB-OG 3.32Å; N176-S179 WeakPolarHBondContact O-CB 3.42Å; N176-S179 PolarHBondContact O-N 3.26Å; N176-S179 VanDerWaalsContact O-N 3.12Å; N176-S179 PolarHBondContact O-OG 2.84Å; P177-S179 PolarHBondContact O-N 3.16Å; P177-S179 VanDerWaalsContact O-N 3.15Å
180T87.3Confident92.3Very high55 Ų5569.3 Ų69.334%0.33740%0.395SS..SBendtrans-136.6149.4-177.668.70000111.9P174 P177 K178 A182 F183 S184P174-T180 HydrophobicContact CG-CG2 4.02Å; P177-T180 PolarHBondContact O-N 2.82Å; K178-T180 VanDerWaalsContact C-N 3.34Å; T180-A182 PolarHBondContact O-N 2.73Å; T180-F183 PolarHBondContact O-N 2.93Å; T180-S184 WeakPolarHBondContact O-CB 3.21Å; T180-S184 PolarHBondContact O-N 2.79Å
181R86.3Confident92.3Very high239 Ų23969.1 Ų69.190%0.90238%0.379SS*.THydrogen-bonded Turntrans-68.9-19.4178.7-64.1-173.3-178.1-167.51.1114.1S184R181-S184 PolarHBondContact O-OG 2.69Å
182A85.8Confident92.3Very high74 Ų7466.4 Ų66.461%0.61237%0.368SS*.THydrogen-bonded Turntrans-72-32.517700000112.1T180T180-A182 PolarHBondContact O-N 2.73Å
183F92.1Very high92.2Very high15 Ų1567.7 Ų67.77%0.06638%0.376CS..THydrogen-bonded Turntrans-116-3.3-174.2-64.3-74000114K168 I171 V172 M173 P174 P177 T180 N185 S186 Y188K168-F183 HydrophobicContact CB-CE1 4.06Å; K168-F183 HydrophobicContact CB-CZ 4.31Å; K168-F183 HydrophobicContact CD-CE1 4.18Å; I171-F183 HydrophobicContact CB-CZ 4.42Å; I171-F183 HydrophobicContact CG2-CE2 3.98Å; I171-F183 HydrophobicContact CG2-CZ 4.2Å; V172-F183 WeakPolarHBondContact O-CE2 3.45Å; M173-F183 HydrophobicContact CB-CZ 4.46Å; M173-F183 HydrophobicContact CE-CD1 4.5Å; M173-F183 HydrophobicContact CE-CE1 4.31Å; M173-F183 HydrophobicContact CG-CE1 3.86Å; M173-F183 HydrophobicContact CG-CZ 3.83Å; P174-F183 HydrophobicContact CG-CD2 4.01Å; P177-F183 HydrophobicContact CB-CB 4.28Å; P177-F183 WeakPolarHBondContact CB-O 3.39Å; P177-F183 CarbonylContact O-C 3.31Å; P177-F183 VanDerWaalsContact O-C 3.31Å; T180-F183 PolarHBondContact O-N 2.93Å; F183-N185 PolarHBondContact O-N 3.38Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 2.96Å; F183-Y188 HydrophobicContact CB-CE1 3.99Å; F183-Y188 AromaticContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CG-CE1 4.13Å
184S90.4Very high92.1Very high48 Ų4870.6 Ų70.634%0.33640%0.395SS..THydrogen-bonded Turntrans-59.8-20.1-176.458.10000115.6P177 T180 R181P177-S184 PolarHBondContact O-N 2.91Å; T180-S184 WeakPolarHBondContact O-CB 3.21Å; T180-S184 PolarHBondContact O-N 2.79Å; R181-S184 PolarHBondContact O-OG 2.69Å
185N90.4Very high92.3Very high132 Ų13269.2 Ų69.271%0.70639%0.386SS*.THydrogen-bonded Turntrans-93.6-0.7178.9-62.55.8000112.8F183F183-N185 PolarHBondContact O-N 3.38Å
186S93.3Very high92.5Very high11 Ų1168.7 Ų68.78%0.07738%0.376CS..  trans-102141.4179.8-166.60000111.2P177 F183 Y188 D206P177-S186 WeakPolarHBondContact CB-O 3.4Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 2.96Å; S186-Y188 WeakPolarHBondContact OG-CD1 3.45Å; S186-D206 VanDerWaalsContact CB-OD1 3.25Å; S186-D206 WeakPolarHBondContact CB-OD1 3.47Å; S186-D206 VanDerWaalsContact OG-CG 3.31Å; S186-D206 PolarHBondContact OG-OD1 2.85Å
187S94.4Very high92.9Very high43 Ų4364.3 Ų64.330%0.30135%0.353SS..  trans-104.347.8-178.422.60000111.7D200 P201S187-D200 PolarHBondContact O-N 2.88Å; S187-P201 PolarHBondContact OG-O 2.77Å
188Y96.6Very high93.4Very high5 Ų564.7 Ų64.72%0.0236%0.355CS..EExtended strand (participates in β ladder)trans-92.7154.9176.474.9-107.5000114.3M173 P174 P177 F183 S186 L190 L197 V198 F199M173-Y188 HydrophobicContact CE-CD1 3.45Å; M173-Y188 VanDerWaalsContact CE-CD1 3.45Å; M173-Y188 HydrophobicContact CE-CD2 4.28Å; M173-Y188 HydrophobicContact CE-CE1 3.31Å; M173-Y188 HydrophobicContact CE-CE2 4.2Å; M173-Y188 HydrophobicContact CE-CG 3.97Å; P174-Y188 VanDerWaalsContact CD-OH 3.24Å; P174-Y188 WeakPolarHBondContact CD-OH 3.21Å; P174-Y188 VanDerWaalsContact O-CE2 3.31Å; P174-Y188 WeakPolarHBondContact O-CE2 3.36Å; P174-Y188 PolarHBondContact O-OH 2.83Å; P177-Y188 HydrophobicContact CB-CD1 4.11Å; P177-Y188 HydrophobicContact CB-CE1 3.69Å; P177-Y188 HydrophobicContact CB-CE2 4.18Å; P177-Y188 HydrophobicContact CG-CD2 4.47Å; P177-Y188 HydrophobicContact CG-CE2 4.33Å; P177-Y188 WeakPolarHBondContact CG-O 3.43Å; F183-Y188 HydrophobicContact CB-CE1 3.99Å; F183-Y188 AromaticContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CG-CE1 4.13Å; S186-Y188 WeakPolarHBondContact OG-CD1 3.45Å; Y188-L190 HydrophobicContact CD2-CD2 4.35Å; Y188-L190 HydrophobicContact CE2-CD2 3.76Å; Y188-L190 HydrophobicContact CE2-CG 4.3Å; Y188-L197 HydrophobicContact CD2-CD1 3.78Å; Y188-L197 HydrophobicContact CG-CD1 3.81Å; Y188-V198 CarbonylContact C-O 3.54Å; Y188-V198 WeakPolarHBondContact CA-O 3.32Å; Y188-F199 HydrophobicContact CD1-CE1 4.17Å; Y188-F199 HydrophobicContact CG-CE1 4.44Å
189V96.6Very high93.7Very high104 Ų10456.7 Ų56.763%0.6332%0.32SS*.EExtended strand (participates in β ladder)trans-123.5133.8161.3-179.90000107.3V198V189-V198 PolarHBondContact N-O 2.76Å; V189-V198 PolarHBondContact O-N 2.81Å
190L95.8Very high94.1Very high14 Ų1457.8 Ų57.87%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-120.8145.8173.170.683.3000111.2M173 T175 Y188 P192 E196 L197M173-L190 HydrophobicContact CB-CD2 4.04Å; T175-L190 HydrophobicContact CG2-CD1 3.96Å; Y188-L190 HydrophobicContact CD2-CD2 4.35Å; Y188-L190 HydrophobicContact CE2-CD2 3.76Å; Y188-L190 HydrophobicContact CE2-CG 4.3Å; L190-P192 HydrophobicContact CD1-CG 3.98Å; L190-E196 WeakPolarHBondContact CA-O 3.38Å; L190-L197 HydrophobicContact CB-CD1 4.01Å
191N96.3Very high94.5Very high60 Ų6058.2 Ų58.232%0.32132%0.324SS..  trans-117.1108.2178.3-178.3-26.3000109.5T193 T194 G195 E196N191-T193 PolarHBondContact O-N 2.94Å; N191-T193 VanDerWaalsContact O-N 3.11Å; N191-T193 PolarHBondContact OD1-N 3.12Å; N191-T194 VanDerWaalsContact CB-OG1 3.3Å; N191-T194 WeakPolarHBondContact CB-OG1 3.33Å; N191-T194 PolarHBondContact ND2-OG1 3.23Å; N191-T194 PolarHBondContact OD1-N 2.93Å; N191-T194 VanDerWaalsContact OD1-N 3.12Å; N191-G195 WeakPolarHBondContact O-CA 3.47Å; N191-G195 PolarHBondContact O-N 3.16Å; N191-E196 PolarHBondContact N-O 2.84Å
192P95.6Very high95Very high40 Ų4047 Ų4726%0.2628%0.282SS..THydrogen-bonded Turntrans-63.3-15.6-178.3-23.935.1000114.8E163 Y164 T175 L190E163-P192 CarbonylContact C-O 3.59Å; E163-P192 VanDerWaalsContact CA-O 3.25Å; E163-P192 WeakPolarHBondContact CA-O 3.47Å; Y164-P192 WeakPolarHBondContact CD2-O 3.41Å; Y164-P192 PolarHBondContact N-O 3.49Å; T175-P192 HydrophobicContact CG2-CG 4.41Å; L190-P192 HydrophobicContact CD1-CG 3.98Å
193T94.5Very high95.5Very high105 Ų10545.3 Ų45.364%0.64427%0.266SS*.THydrogen-bonded Turntrans-102.4-30.3-176.3-43.30000112.9N191N191-T193 PolarHBondContact O-N 2.94Å; N191-T193 VanDerWaalsContact O-N 3.11Å; N191-T193 PolarHBondContact OD1-N 3.12Å
194T95.5Very high95.6Very high69 Ų6947.5 Ų47.542%0.42329%0.287SS..THydrogen-bonded Turntrans-94.7-14.3173.266.10000113.6N191 E196N191-T194 VanDerWaalsContact CB-OG1 3.3Å; N191-T194 WeakPolarHBondContact CB-OG1 3.33Å; N191-T194 PolarHBondContact ND2-OG1 3.23Å; N191-T194 PolarHBondContact OD1-N 2.93Å; N191-T194 VanDerWaalsContact OD1-N 3.12Å; T194-E196 PolarHBondContact O-N 3.11Å; T194-E196 PolarHBondContact OG1-N 3.45Å
195G96.9Very high95.8Very high0 Ų047.7 Ų47.70%029%0.288CS..  trans71.67.5-176.800000114C153 Y164 W166 N191C153-G195 PolarHBondContact N-O 2.85Å; C153-G195 WeakPolarHBondContact O-CA 3.42Å; Y164-G195 VanDerWaalsContact CD2-CA 3.45Å; W166-G195 WeakPolarHBondContact CZ2-O 3.32Å; W166-G195 PolarHBondContact NE1-O 2.97Å; N191-G195 WeakPolarHBondContact O-CA 3.47Å; N191-G195 PolarHBondContact O-N 3.16Å
196E97.8Very high96.1Very high82 Ų8241.6 Ų41.638%0.38326%0.256SS..EExtended strand (participates in β ladder)trans-73.3137.8174.6-66-174.5127.200111.7T152 L190 N191 T194T152-E196 HydrophobicContact CG2-CG 4.34Å; L190-E196 WeakPolarHBondContact CA-O 3.38Å; N191-E196 PolarHBondContact N-O 2.84Å; T194-E196 PolarHBondContact O-N 3.11Å; T194-E196 PolarHBondContact OG1-N 3.45Å
197L98.2Very high96.3Very high0 Ų043 Ų430%026%0.264CS..EExtended strand (participates in β ladder)trans-126.9112.2169.6167.963.7000107.8L151 W166 M173 Y188 L190 F199 Y210L151-L197 HydrophobicContact CB-CB 4.21Å; L151-L197 HydrophobicContact CD2-CD2 4.04Å; L151-L197 PolarHBondContact N-O 2.89Å; L151-L197 PolarHBondContact O-N 3.35Å; W166-L197 HydrophobicContact CB-CD2 4.4Å; W166-L197 HydrophobicContact CD2-CB 4.03Å; W166-L197 HydrophobicContact CD2-CD2 3.72Å; W166-L197 HydrophobicContact CE3-CD2 3.84Å; W166-L197 HydrophobicContact CG-CB 4.2Å; W166-L197 HydrophobicContact CG-CD2 3.99Å; W166-L197 HydrophobicContact CZ2-CB 4.06Å; W166-L197 HydrophobicContact CZ3-CD2 4.39Å; M173-L197 HydrophobicContact CE-CD1 3.82Å; M173-L197 HydrophobicContact CE-CD2 3.93Å; M173-L197 HydrophobicContact SD-CD2 3.76Å; Y188-L197 HydrophobicContact CD2-CD1 3.78Å; Y188-L197 HydrophobicContact CG-CD1 3.81Å; L190-L197 HydrophobicContact CB-CD1 4.01Å; L197-F199 HydrophobicContact CD1-CE2 4.28Å; L197-F199 HydrophobicContact CD1-CZ 4.26Å; L197-F199 HydrophobicContact CD2-CE2 3.95Å; L197-F199 HydrophobicContact CD2-CZ 4.05Å; L197-F199 HydrophobicContact CG-CE2 3.79Å; L197-F199 HydrophobicContact CG-CZ 4.14Å; L197-Y210 HydrophobicContact CD2-CD1 4.06Å; L197-Y210 HydrophobicContact CD2-CE1 4.06Å
198V98.1Very high96.4Very high22 Ų2241 Ų4113%0.13325%0.25CS..EExtended strand (participates in β ladder)trans-116.3120-171.81800000109.4R148 A149 V150 Y188 V189R148-V198 HydrophobicContact CG-CG1 4.12Å; A149-V198 CarbonylContact O-C 3.58Å; A149-V198 WeakPolarHBondContact O-CA 3.49Å; V150-V198 HydrophobicContact CG1-CG2 4.29Å; V150-V198 HydrophobicContact CG2-CG1 4.4Å; V150-V198 HydrophobicContact CG2-CG2 4.26Å; Y188-V198 CarbonylContact C-O 3.54Å; Y188-V198 WeakPolarHBondContact CA-O 3.32Å; V189-V198 PolarHBondContact N-O 2.76Å; V189-V198 PolarHBondContact O-N 2.81Å
199F98Very high96.5Very high0 Ų045.5 Ų45.50%027%0.271CS..EExtended strand (participates in β ladder)trans-95.4126.5170.3-59.9-96.5000109.1R148 A149 L151 M173 Y188 L197 L202 D206 Y210 M229R148-F199 CarbonylContact C-O 3.54Å; R148-F199 VanDerWaalsContact CA-O 3.27Å; R148-F199 WeakPolarHBondContact CA-O 3.44Å; A149-F199 HydrophobicContact CB-CB 4.37Å; A149-F199 PolarHBondContact N-O 2.96Å; A149-F199 PolarHBondContact O-N 2.82Å; L151-F199 HydrophobicContact CD1-CD2 4.04Å; L151-F199 HydrophobicContact CD1-CE2 3.85Å; L151-F199 HydrophobicContact CD2-CE2 4.17Å; M173-F199 HydrophobicContact CE-CZ 4.34Å; Y188-F199 HydrophobicContact CD1-CE1 4.17Å; Y188-F199 HydrophobicContact CG-CE1 4.44Å; L197-F199 HydrophobicContact CD1-CE2 4.28Å; L197-F199 HydrophobicContact CD1-CZ 4.26Å; L197-F199 HydrophobicContact CD2-CE2 3.95Å; L197-F199 HydrophobicContact CD2-CZ 4.05Å; L197-F199 HydrophobicContact CG-CE2 3.79Å; L197-F199 HydrophobicContact CG-CZ 4.14Å; F199-L202 HydrophobicContact CB-CB 4.28Å; F199-L202 HydrophobicContact CB-CD1 3.81Å; F199-L202 HydrophobicContact CD1-CD1 4.08Å; F199-L202 HydrophobicContact CD2-CD1 4.15Å; F199-L202 HydrophobicContact CG-CD1 3.75Å; F199-D206 HydrophobicContact CD1-CB 3.91Å; F199-D206 WeakPolarHBondContact CD1-OD2 3.4Å; F199-D206 HydrophobicContact CE1-CB 3.74Å; F199-D206 HydrophobicContact CZ-CB 4.45Å; F199-Y210 HydrophobicContact CE2-CE1 4.5Å; F199-Y210 AromaticContact CZ-CE1 3.84Å; F199-Y210 HydrophobicContact CZ-CE1 3.84Å; F199-Y210 AromaticContact CZ-CZ 3.82Å; F199-Y210 WeakPolarHBondContact CZ-OH 3.39Å; F199-M229 HydrophobicContact CD2-CE 4.44Å; F199-M229 HydrophobicContact CE2-CE 4.05Å; F199-M229 HydrophobicContact CZ-CE 4.4Å
200D96.4Very high96.6Very high95 Ų9540.6 Ų40.651%0.50824%0.241SC..SBendtrans-151.699.4176.2-152.9-11.2000111.7R148 S187R148-D200 HydrophobicContact CB-CB 4.39Å; R148-D200 VanDerWaalsContact CD-OD2 3.31Å; R148-D200 WeakPolarHBondContact CD-OD2 3.27Å; R148-D200 HydrophobicContact CG-CB 4.1Å; R148-D200 WeakPolarHBondContact CG-OD2 3.41Å; R148-D200 IonicContact NE-OD2 2.74Å; S187-D200 PolarHBondContact O-N 2.88Å
201P96.3Very high96.7Very high64 Ų6440.8 Ų40.842%0.41624%0.244SC..SBendcis-74.3164.1-5.732.5-36.7000113.1S187S187-P201 PolarHBondContact OG-O 2.77Å
202L96.6Very high96.8Very high3 Ų338 Ų382%0.01623%0.229CC..  trans-76.8134.7163.1-173.874.8000111.6A143 G146 N147 A149 F199 D206 M229 A231A143-L202 HydrophobicContact CB-CD2 3.49Å; A143-L202 VanDerWaalsContact CB-CD2 3.49Å; G146-L202 PolarHBondContact N-O 3.35Å; N147-L202 WeakPolarHBondContact O-CB 3.46Å; N147-L202 PolarHBondContact O-N 2.87Å; A149-L202 HydrophobicContact CB-CD1 4.28Å; A149-L202 HydrophobicContact CB-CD2 4.42Å; F199-L202 HydrophobicContact CB-CB 4.28Å; F199-L202 HydrophobicContact CB-CD1 3.81Å; F199-L202 HydrophobicContact CD1-CD1 4.08Å; F199-L202 HydrophobicContact CD2-CD1 4.15Å; F199-L202 HydrophobicContact CG-CD1 3.75Å; L202-D206 HydrophobicContact CD1-CB 3.6Å; L202-D206 HydrophobicContact CG-CB 4.48Å; L202-M229 HydrophobicContact CD1-CE 3.86Å; L202-A231 HydrophobicContact CD2-CB 3.93Å; L202-A231 HydrophobicContact CG-CB 4.19Å
203S95.8Very high96.9Very high39 Ų3938.2 Ų38.227%0.27323%0.227SC..  trans-108.5157.8176.9175.80000112.1S205 D206 A231S203-S205 VanDerWaalsContact CB-OG 3.31Å; S203-S205 WeakPolarHBondContact CB-OG 3.46Å; S203-S205 PolarHBondContact O-N 2.96Å; S203-S205 PolarHBondContact OG-N 3.05Å; S203-S205 PolarHBondContact OG-OG 2.94Å; S203-D206 WeakPolarHBondContact CB-OD2 3.36Å; S203-D206 PolarHBondContact N-OD2 2.94Å; S203-D206 WeakPolarHBondContact O-CB 3.41Å; S203-D206 PolarHBondContact O-N 2.97Å; S203-A231 VanDerWaalsContact O-CB 3.26Å; S203-A231 WeakPolarHBondContact O-CB 3.45Å
204A94.7Very high97.1Very high61 Ų6133.2 Ų33.250%0.50420%0.196SC..G310 helixtrans-55.5-32.3169.900000112.6I145 D206 T207I145-A204 HydrophobicContact CD1-CB 3.86Å; A204-D206 PolarHBondContact O-N 2.84Å; A204-T207 WeakPolarHBondContact O-CB 3.2Å; A204-T207 PolarHBondContact O-N 2.88Å; A204-T207 PolarHBondContact O-OG1 2.85Å; A204-T207 VanDerWaalsContact O-OG1 3.14Å
205S94.3Very high97.2Very high52 Ų5234.5 Ų34.536%0.36419%0.193SC..G310 helixtrans-64.4-14.7175.956.30000114.5K168 S203 T207K168-S205 PolarHBondContact NZ-O 2.8Å; S203-S205 VanDerWaalsContact CB-OG 3.31Å; S203-S205 WeakPolarHBondContact CB-OG 3.46Å; S203-S205 PolarHBondContact O-N 2.96Å; S203-S205 PolarHBondContact OG-N 3.05Å; S203-S205 PolarHBondContact OG-OG 2.94Å; S205-T207 VanDerWaalsContact C-N 3.3Å
206D96.6Very high97.2Very high4 Ų435.5 Ų35.52%0.02120%0.198CC..G310 helixtrans-90.94.3-179.1-51.3-31.2000111.8S186 F199 L202 S203 A204 Y210 M229S186-D206 VanDerWaalsContact CB-OD1 3.25Å; S186-D206 WeakPolarHBondContact CB-OD1 3.47Å; S186-D206 VanDerWaalsContact OG-CG 3.31Å; S186-D206 PolarHBondContact OG-OD1 2.85Å; F199-D206 HydrophobicContact CD1-CB 3.91Å; F199-D206 WeakPolarHBondContact CD1-OD2 3.4Å; F199-D206 HydrophobicContact CE1-CB 3.74Å; F199-D206 HydrophobicContact CZ-CB 4.45Å; L202-D206 HydrophobicContact CD1-CB 3.6Å; L202-D206 HydrophobicContact CG-CB 4.48Å; S203-D206 WeakPolarHBondContact CB-OD2 3.36Å; S203-D206 PolarHBondContact N-OD2 2.94Å; S203-D206 WeakPolarHBondContact O-CB 3.41Å; S203-D206 PolarHBondContact O-N 2.97Å; A204-D206 PolarHBondContact O-N 2.84Å; D206-Y210 WeakPolarHBondContact O-CE2 3.24Å; D206-Y210 PolarHBondContact O-OH 2.59Å; D206-M229 WeakPolarHBondContact O-CE 3.42Å
207T97.3Very high97.1Very high41 Ų4135.4 Ų35.425%0.25222%0.22SC..  trans-64.9130.6163.4-61.20000110.1K168 A204 S205 M229 E230 A231K168-T207 WeakPolarHBondContact CE-O 3.34Å; K168-T207 PolarHBondContact NZ-O 2.76Å; A204-T207 WeakPolarHBondContact O-CB 3.2Å; A204-T207 PolarHBondContact O-N 2.88Å; A204-T207 PolarHBondContact O-OG1 2.85Å; A204-T207 VanDerWaalsContact O-OG1 3.14Å; S205-T207 VanDerWaalsContact C-N 3.3Å; T207-M229 WeakPolarHBondContact CA-O 3.48Å; T207-E230 HydrophobicContact CG2-CB 4.4Å; T207-E230 HydrophobicContact CG2-CG 4.28Å; T207-A231 WeakPolarHBondContact OG1-CB 3.3Å; T207-A231 PolarHBondContact OG1-N 3.14Å
208G97.3Very high97Very high1 Ų139.3 Ų39.31%0.0124%0.235CC..EExtended strand (participates in β ladder)trans169.7-177.2176.600000113.8D169 Y210 R228 M229D169-G208 WeakPolarHBondContact OD1-CA 3.39Å; G208-Y210 WeakPolarHBondContact O-CD2 3.12Å; G208-R228 WeakPolarHBondContact O-CA 3.39Å; G208-M229 PolarHBondContact N-O 3.35Å; G208-M229 PolarHBondContact O-N 2.99Å
209E98.4Very high96.9Very high99 Ų9941 Ų4146%0.46326%0.256SS..EExtended strand (participates in β ladder)trans-95.9119.6175.3-178.6166.7-90.600111K168 D169 A226K168-E209 CarbonylContact C-O 3.51Å; K168-E209 WeakPolarHBondContact CA-O 3.37Å; D169-E209 PolarHBondContact N-O 3.23Å; D169-E209 PolarHBondContact OD1-N 3Å; E209-A226 HydrophobicContact CG-CB 3.7Å
210Y98.6Very high96.8Very high1 Ų146 Ų460%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-109.7138.2-173.5-73.7-90.5000112L151 F167 K168 M173 L197 F199 D206 G208 A226 V227 M229L151-Y210 HydrophobicContact CD2-CD1 3.99Å; L151-Y210 HydrophobicContact CD2-CD2 4.29Å; L151-Y210 HydrophobicContact CD2-CE1 4.44Å; L151-Y210 HydrophobicContact CD2-CG 3.9Å; F167-Y210 WeakPolarHBondContact O-CA 3.41Å; K168-Y210 HydrophobicContact CB-CD1 4.17Å; K168-Y210 HydrophobicContact CB-CE1 3.83Å; K168-Y210 HydrophobicContact CD-CE1 4.2Å; K168-Y210 HydrophobicContact CD-CE2 4.46Å; K168-Y210 WeakPolarHBondContact CD-OH 3.34Å; K168-Y210 WeakPolarHBondContact CE-OH 3.02Å; K168-Y210 HydrophobicContact CG-CD1 4.19Å; K168-Y210 HydrophobicContact CG-CE1 3.66Å; K168-Y210 HydrophobicContact CG-CE2 4.04Å; M173-Y210 HydrophobicContact CE-CE1 4.16Å; M173-Y210 HydrophobicContact SD-CD1 4.06Å; M173-Y210 HydrophobicContact SD-CE1 3.72Å; L197-Y210 HydrophobicContact CD2-CD1 4.06Å; L197-Y210 HydrophobicContact CD2-CE1 4.06Å; F199-Y210 HydrophobicContact CE2-CE1 4.5Å; F199-Y210 AromaticContact CZ-CE1 3.84Å; F199-Y210 HydrophobicContact CZ-CE1 3.84Å; F199-Y210 AromaticContact CZ-CZ 3.82Å; F199-Y210 WeakPolarHBondContact CZ-OH 3.39Å; D206-Y210 WeakPolarHBondContact O-CE2 3.24Å; D206-Y210 PolarHBondContact O-OH 2.59Å; G208-Y210 WeakPolarHBondContact O-CD2 3.12Å; Y210-A226 CarbonylContact O-C 3.58Å; Y210-A226 WeakPolarHBondContact O-CA 3.47Å; Y210-V227 PolarHBondContact N-O 3.2Å; Y210-V227 PolarHBondContact O-N 3.46Å; Y210-M229 HydrophobicContact CD2-CB 4.17Å; Y210-M229 HydrophobicContact CD2-CE 4.48Å; Y210-M229 HydrophobicContact CE2-CB 4.32Å; Y210-M229 HydrophobicContact CE2-CE 3.8Å
211S98.4Very high96.8Very high19 Ų1944 Ų4413%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-146.1168.417164.80000110.5W166 F167 S224W166-S211 VanDerWaalsContact CE3-O 3.25Å; F167-S211 PolarHBondContact N-O 2.65Å; F167-S211 PolarHBondContact O-N 3Å; F167-S211 VanDerWaalsContact O-N 3.16Å; S211-S224 WeakPolarHBondContact CA-OG 3.27Å; S211-S224 WeakPolarHBondContact CB-OG 3.46Å
212C98.2Very high96.9Very high0 Ų044.2 Ų44.20%028%0.276CS..EExtended strand (participates in β ladder)trans-134.9152.8173.464.80000111.9V137 C153 T165 W166 T223 S224V137-C212 WeakPolarHBondContact CG1-SG 3.25Å; C153-C212 HydrophobicContact CB-CB 3.65Å; C153-C212 WeakPolarHBondContact CB-SG 3.38Å; C153-C212 WeakPolarHBondContact SG-CB 3.48Å; C153-C212 CovalentContact SG-SG 2.02Å; C153-C212 PolarHBondContact SG-SG 2.99Å; T165-C212 CarbonylContact O-C 3.59Å; T165-C212 WeakPolarHBondContact O-CA 3.47Å; W166-C212 HydrophobicContact CD2-CB 4.17Å; W166-C212 HydrophobicContact CE3-CB 4.21Å; W166-C212 HydrophobicContact CZ3-CB 4.5Å; C212-T223 CarbonylContact O-C 3.54Å; C212-T223 WeakPolarHBondContact O-CA 3.34Å; C212-T223 WeakPolarHBondContact O-CG2 3.46Å; C212-S224 PolarHBondContact N-OG 2.95Å; C212-S224 PolarHBondContact O-N 3.49Å; C212-S224 PolarHBondContact O-OG 3.5Å
213E98.3Very high97Very high46 Ų4647.3 Ų47.322%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-109.1133.3168.1-177.7-175.59300109.6Y164 T165 F167 P221 M222Y164-E213 CarbonylContact C-O 3.6Å; Y164-E213 WeakPolarHBondContact CA-O 3.35Å; T165-E213 PolarHBondContact N-O 2.81Å; T165-E213 PolarHBondContact O-N 2.86Å; F167-E213 HydrophobicContact CE2-CB 3.69Å; F167-E213 HydrophobicContact CZ-CB 4.32Å; E213-P221 HydrophobicContact CG-CB 3.78Å; E213-M222 WeakPolarHBondContact CA-O 3.17Å
214A98.4Very high97.1Very high0 Ų046 Ų460%029%0.285CS..EExtended strand (participates in β ladder)trans-99.4129.2169.500000110.1P132 P135 E155 Y164 P221 M222P132-A214 HydrophobicContact CB-CB 4.12Å; P132-A214 WeakPolarHBondContact CG-O 3.28Å; P135-A214 HydrophobicContact CB-CB 4.14Å; P135-A214 HydrophobicContact CG-CB 3.97Å; E155-A214 HydrophobicContact CB-CB 4.05Å; E155-A214 HydrophobicContact CG-CB 3.97Å; Y164-A214 HydrophobicContact CD1-CB 4.06Å; Y164-A214 HydrophobicContact CE1-CB 3.99Å; A214-P221 WeakPolarHBondContact O-CA 3.39Å; A214-M222 PolarHBondContact N-O 3.32Å; A214-M222 PolarHBondContact O-N 2.74Å
215R97.3Very high97.2Very high96 Ų9648 Ų4836%0.36229%0.288SS..EExtended strand (participates in β ladder)trans-142.4127.618044.8167.3-86.5-74.2-8.5111.7E163 P221E163-R215 PolarHBondContact N-O 2.83Å; E163-R215 WeakPolarHBondContact O-CG 3.46Å; E163-R215 PolarHBondContact O-N 2.91Å; E163-R215 IonicContact OE2-CZ 3.23Å; E163-R215 IonicContact OE2-NH1 2.72Å; E163-R215 PolarHBondContact OE2-NH1 2.95Å; E163-R215 IonicContact OE2-NH2 3.22Å; E163-R215 PolarHBondContact OE2-NH2 3.34Å; R215-P221 HydrophobicContact CB-CB 3.96Å
216N96.5Very high97.4Very high20 Ų2047.9 Ų47.911%0.10729%0.29CS..  trans-115.37.9174.771.3-5.6000114.4V130 S159 P160 Y218V130-N216 PolarHBondContact O-ND2 2.79Å; S159-N216 PolarHBondContact N-ND2 2.89Å; S159-N216 PolarHBondContact O-ND2 3.11Å; P160-N216 HydrophobicContact CG-CB 4.34Å; P160-N216 WeakPolarHBondContact O-CB 3.31Å; P160-N216 PolarHBondContact O-ND2 3.4Å; N216-Y218 VanDerWaalsContact C-N 3.32Å; N216-Y218 PolarHBondContact OD1-N 3.47Å; N216-Y218 PolarHBondContact OD1-O 2.91Å
217G95.2Very high97.5Very high81 Ų8149.9 Ų49.984%0.83530%0.302SS*.SBendtrans80.46.7-177.200000114.8
218Y96.1Very high97.5Very high82 Ų8253.9 Ų53.932%0.32231%0.313SS..SBendtrans-126.3140.6173.4-174.9-108.7000112.2P41 L129 N216P41-Y218 WeakPolarHBondContact CB-OH 3.45Å; P41-Y218 HydrophobicContact CG-CE2 4.47Å; P41-Y218 VanDerWaalsContact CG-OH 3.3Å; P41-Y218 WeakPolarHBondContact CG-OH 3.26Å; L129-Y218 HydrophobicContact CB-CD1 3.66Å; L129-Y218 HydrophobicContact CB-CD2 4.04Å; L129-Y218 HydrophobicContact CB-CE1 3.79Å; L129-Y218 HydrophobicContact CB-CE2 4.19Å; L129-Y218 HydrophobicContact CB-CG 3.79Å; L129-Y218 HydrophobicContact CD1-CD2 3.83Å; L129-Y218 HydrophobicContact CD1-CE2 3.98Å; L129-Y218 HydrophobicContact CD1-CG 4.33Å; L129-Y218 HydrophobicContact CG-CD2 4.49Å; N216-Y218 VanDerWaalsContact C-N 3.32Å; N216-Y218 PolarHBondContact OD1-N 3.47Å; N216-Y218 PolarHBondContact OD1-O 2.91Å
219G95.4Very high97.6Very high56 Ų5653.8 Ų53.858%0.57731%0.312SS*.SBendtrans65.2-137.8-176.600000113.4
220T96.7Very high97.5Very high105 Ų10553.2 Ų53.264%0.64431%0.309SS*.  trans-111.2135-178.4-520000109.4P132P132-T220 WeakPolarHBondContact CG-O 3.26Å
221P97.4Very high97.4Very high55 Ų5553.9 Ų53.936%0.35732%0.315SS..  trans-69152.917533.2-38.3000111.1E213 A214 R215E213-P221 HydrophobicContact CG-CB 3.78Å; A214-P221 WeakPolarHBondContact O-CA 3.39Å; R215-P221 HydrophobicContact CB-CB 3.96Å
222M98.1Very high97.2Very high68 Ų6856 Ų5634%0.33533%0.327SS..EExtended strand (participates in β ladder)trans-124.5127.6-172.9-72.4-64.2-70.600112.1P132 S133 K134 P135 E213 A214P132-M222 HydrophobicContact CG-CG 4.41Å; P132-M222 VanDerWaalsContact O-CG 3.28Å; P132-M222 WeakPolarHBondContact O-CG 3.31Å; S133-M222 WeakPolarHBondContact O-CB 3.37Å; K134-M222 HydrophobicContact CB-CE 3.99Å; P135-M222 WeakPolarHBondContact CD-O 3.37Å; P135-M222 VanDerWaalsContact CG-O 3.28Å; P135-M222 WeakPolarHBondContact CG-O 3.4Å; E213-M222 WeakPolarHBondContact CA-O 3.17Å; A214-M222 PolarHBondContact N-O 3.32Å; A214-M222 PolarHBondContact O-N 2.74Å
223T98.2Very high96.8Very high68 Ų6863.1 Ų63.142%0.41736%0.361SS..EExtended strand (participates in β ladder)trans-93.3143179.6-32.10000112.1K134 C212K134-T223 VanDerWaalsContact CE-O 3.31Å; K134-T223 WeakPolarHBondContact CE-O 3.38Å; C212-T223 CarbonylContact O-C 3.54Å; C212-T223 WeakPolarHBondContact O-CA 3.34Å; C212-T223 WeakPolarHBondContact O-CG2 3.46Å
224S98.3Very high95.9Very high10 Ų1067.9 Ų67.97%0.0738%0.377CS..  trans-67.4177.9175.371.70000112.4P135 S211 C212P135-S224 WeakPolarHBondContact O-CB 3.44Å; S211-S224 WeakPolarHBondContact CA-OG 3.27Å; S211-S224 WeakPolarHBondContact CB-OG 3.46Å; C212-S224 PolarHBondContact N-OG 2.95Å; C212-S224 PolarHBondContact O-N 3.49Å; C212-S224 PolarHBondContact O-OG 3.5Å
225N97.1Very high94.9Very high103 Ų10373.4 Ų73.455%0.55141%0.406SS*.  trans-66.4148.8155.2-67-16.2000109.3K134K134-N225 WeakPolarHBondContact CE-OD1 3.31Å; K134-N225 PolarHBondContact NZ-OD1 3.32Å
226A97.9Very high93.9Very high50 Ų5072.9 Ų72.941%0.41341%0.413SS..  trans-81.9140.1167.800000110E209 Y210E209-A226 HydrophobicContact CG-CB 3.7Å; Y210-A226 CarbonylContact O-C 3.58Å; Y210-A226 WeakPolarHBondContact O-CA 3.47Å
227V98.4Very high92.9Very high47 Ų4774.7 Ų74.729%0.28544%0.436SS..EExtended strand (participates in β ladder)trans-137.6127.4-179.6-173.80000109.6V137 I139 Y210V137-V227 HydrophobicContact CG2-CG2 4.03Å; I139-V227 HydrophobicContact CB-CB 3.99Å; I139-V227 HydrophobicContact CB-CG1 3.95Å; I139-V227 HydrophobicContact CD1-CB 3.77Å; I139-V227 HydrophobicContact CD1-CG2 4.05Å; I139-V227 HydrophobicContact CG1-CB 4.48Å; I139-V227 HydrophobicContact CG2-CB 4.05Å; I139-V227 HydrophobicContact CG2-CG1 3.91Å; Y210-V227 PolarHBondContact N-O 3.2Å; Y210-V227 PolarHBondContact O-N 3.46Å
228R98.1Very high92.2Very high124 Ų12475.5 Ų75.547%0.46843%0.425SS..EExtended strand (participates in β ladder)trans-78.9128.6175.9-173.1174177.777.47111.4G208 E230G208-R228 WeakPolarHBondContact O-CA 3.39Å; R228-E230 HydrophobicContact CG-CG 4.29Å; R228-E230 IonicContact CZ-OE1 2.82Å; R228-E230 VanDerWaalsContact CZ-OE1 3.23Å; R228-E230 IonicContact NE-OE1 3.81Å; R228-E230 PolarHBondContact NE-OE1 3.45Å; R228-E230 IonicContact NH2-OE1 2.72Å; R228-E230 PolarHBondContact NH2-OE1 2.99Å
229M97.9Very high91.5Very high0 Ų076.2 Ų76.20%043%0.433CS..EExtended strand (participates in β ladder)trans-111.4134.8167.8178.2179.567.900109.3I139 P140 A143 L151 F199 L202 D206 T207 G208 Y210I139-M229 HydrophobicContact CG2-CB 4.06Å; P140-M229 HydrophobicContact CG-SD 4.06Å; P140-M229 WeakPolarHBondContact O-CB 3.32Å; P140-M229 WeakPolarHBondContact O-CG 3.33Å; A143-M229 HydrophobicContact CB-SD 4.13Å; L151-M229 HydrophobicContact CD1-CE 4.29Å; L151-M229 HydrophobicContact CD1-SD 3.84Å; F199-M229 HydrophobicContact CD2-CE 4.44Å; F199-M229 HydrophobicContact CE2-CE 4.05Å; F199-M229 HydrophobicContact CZ-CE 4.4Å; L202-M229 HydrophobicContact CD1-CE 3.86Å; D206-M229 WeakPolarHBondContact O-CE 3.42Å; T207-M229 WeakPolarHBondContact CA-O 3.48Å; G208-M229 PolarHBondContact N-O 3.35Å; G208-M229 PolarHBondContact O-N 2.99Å; Y210-M229 HydrophobicContact CD2-CB 4.17Å; Y210-M229 HydrophobicContact CD2-CE 4.48Å; Y210-M229 HydrophobicContact CE2-CB 4.32Å; Y210-M229 HydrophobicContact CE2-CE 3.8Å
230E97.3Very high91Very high86 Ų8677.1 Ų77.140%0.40243%0.428SS..EExtended strand (participates in β ladder)trans-113.8129.1174.3-53.5-15513600111.8S141 S142 A143 T207 R228S141-E230 PolarHBondContact O-N 2.92Å; S142-E230 CarbonylContact C-O 3.4Å; S142-E230 WeakPolarHBondContact CA-O 3.35Å; A143-E230 PolarHBondContact N-O 3.03Å; T207-E230 HydrophobicContact CG2-CB 4.4Å; T207-E230 HydrophobicContact CG2-CG 4.28Å; R228-E230 HydrophobicContact CG-CG 4.29Å; R228-E230 IonicContact CZ-OE1 2.82Å; R228-E230 VanDerWaalsContact CZ-OE1 3.23Å; R228-E230 IonicContact NE-OE1 3.81Å; R228-E230 PolarHBondContact NE-OE1 3.45Å; R228-E230 IonicContact NH2-OE1 2.72Å; R228-E230 PolarHBondContact NH2-OE1 2.99Å
231A96.1Very high90.7Very high15 Ų1574.5 Ų74.512%0.12442%0.417CS..EExtended strand (participates in β ladder)trans-88111.4178.300000109.7A143 I145 L202 S203 T207A143-A231 CarbonylContact O-C 3.59Å; A143-A231 WeakPolarHBondContact O-CA 3.43Å; I145-A231 HydrophobicContact CD1-CB 4.28Å; I145-A231 WeakPolarHBondContact CD1-O 3.31Å; I145-A231 HydrophobicContact CG1-CB 3.8Å; L202-A231 HydrophobicContact CD2-CB 3.93Å; L202-A231 HydrophobicContact CG-CB 4.19Å; S203-A231 VanDerWaalsContact O-CB 3.26Å; S203-A231 WeakPolarHBondContact O-CB 3.45Å; T207-A231 WeakPolarHBondContact OG1-CB 3.3Å; T207-A231 PolarHBondContact OG1-N 3.14Å
232V94.8Very high90.4Very high64 Ų6474.6 Ų74.639%0.38842%0.422SS..EExtended strand (participates in β ladder)trans-110.3136.6-170.1-174.70000110.9A143 T144 I145A143-V232 PolarHBondContact O-N 3.42Å; T144-V232 CarbonylContact C-O 3.53Å; T144-V232 WeakPolarHBondContact CA-O 3.48Å; I145-V232 PolarHBondContact N-O 2.97Å
233E90.1Very high90.2Very high150 Ų15074.9 Ų74.970%0.70143%0.427SS*.  trans-68.8152.4175.1-64.6-171.2164.500112.2I145 N235I145-E233 HydrophobicContact CD1-CG 3.85Å; E233-N235 PolarHBondContact O-N 3.28Å
234R79.1Confident90.1Very high146 Ų14676.2 Ų76.255%0.55143%0.431SS*.  trans-72.3119.7167.8-68.3-173.2180-128.78.7109.3T144 N147 V236T144-R234 HydrophobicContact CG2-CG 3.3Å; N147-R234 PolarHBondContact ND2-NH2 3.48Å; N147-R234 PolarHBondContact OD1-NE 3.47Å; N147-R234 PolarHBondContact OD1-NH2 3.4Å; R234-V236 HydrophobicContact CB-CG2 4.01Å; R234-V236 PolarHBondContact O-N 2.97Å
235N78Confident90.1Very high116 Ų11679.7 Ų79.762%0.6245%0.452SS*.  trans-69.766.7168.1-62.486.7000111.7E233 G237 V238 I239E233-N235 PolarHBondContact O-N 3.28Å; N235-G237 PolarHBondContact O-N 3.4Å; N235-G237 VanDerWaalsContact O-N 3.15Å; N235-V238 HydrophobicContact CB-CB 4.23Å; N235-V238 HydrophobicContact CB-CG2 3.91Å; N235-V238 WeakPolarHBondContact O-CB 3.34Å; N235-V238 PolarHBondContact O-N 3.49Å; N235-I239 PolarHBondContact O-N 2.95Å
236V75.7Confident90Very high85 Ų8578.5 Ų78.552%0.51545%0.448SS..Hα-helixtrans-55-35.3-178.9179.20000111.3R234 V238 I239 V240R234-V236 HydrophobicContact CB-CG2 4.01Å; R234-V236 PolarHBondContact O-N 2.97Å; V236-V238 VanDerWaalsContact C-N 3.29Å; V236-V238 PolarHBondContact O-N 3.03Å; V236-I239 PolarHBondContact O-N 3.41Å; V236-I239 VanDerWaalsContact O-N 3.15Å; V236-V240 HydrophobicContact CG1-CG2 4Å; V236-V240 WeakPolarHBondContact O-CG2 3.43Å; V236-V240 PolarHBondContact O-N 2.99Å
237G75.4Confident90Very high57 Ų5781 Ų8159%0.58846%0.455SS*.Hα-helixtrans-58.3-34.5174.600000114.4N235 A241N235-G237 PolarHBondContact O-N 3.4Å; N235-G237 VanDerWaalsContact O-N 3.15Å; G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.26Å
238V79.8Confident90Very high99 Ų9983.8 Ų83.860%0.647%0.467SS*.Hα-helixtrans-71.7-40.7175.9177.30000110.6N235 V236 A241 A242N235-V238 HydrophobicContact CB-CB 4.23Å; N235-V238 HydrophobicContact CB-CG2 3.91Å; N235-V238 WeakPolarHBondContact O-CB 3.34Å; N235-V238 PolarHBondContact O-N 3.49Å; V236-V238 VanDerWaalsContact C-N 3.29Å; V236-V238 PolarHBondContact O-N 3.03Å; V238-A241 PolarHBondContact O-N 3.47Å; V238-A242 WeakPolarHBondContact O-CB 3.41Å; V238-A242 PolarHBondContact O-N 3.31Å
239I81.4Confident89.9Confident96 Ų9682.9 Ų82.949%0.49247%0.471SS..Hα-helixtrans-63.8-48176.5-56.8174.8000110N235 V236 A242 V243N235-I239 PolarHBondContact O-N 2.95Å; V236-I239 PolarHBondContact O-N 3.41Å; V236-I239 VanDerWaalsContact O-N 3.15Å; I239-A242 PolarHBondContact O-N 3.33Å; I239-V243 WeakPolarHBondContact O-CG2 3.34Å; I239-V243 PolarHBondContact O-N 3.44Å
240V85.4Confident89.9Confident76 Ų7687.3 Ų87.346%0.46149%0.494SS..Hα-helixtrans-63.1-43177.9172.10000111.1V236 A242 V243 L244V236-V240 HydrophobicContact CG1-CG2 4Å; V236-V240 WeakPolarHBondContact O-CG2 3.43Å; V236-V240 PolarHBondContact O-N 2.99Å; V240-A242 PolarHBondContact O-N 3.32Å; V240-V243 PolarHBondContact O-N 3.36Å; V240-L244 HydrophobicContact CG1-CD1 3.87Å; V240-L244 HydrophobicContact CG1-CG 4.32Å; V240-L244 WeakPolarHBondContact O-CB 3.31Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.47Å; V240-L244 PolarHBondContact O-N 3.43Å
241A89.3Confident89.9Confident50 Ų5085.1 Ų85.141%0.41349%0.494SS..Hα-helixtrans-61.1-44.3175.300000112.2G237 V238 V243 L244 V245G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.26Å; V238-A241 PolarHBondContact O-N 3.47Å; A241-V243 PolarHBondContact O-N 2.87Å; A241-L244 PolarHBondContact O-N 3.33Å; A241-V245 WeakPolarHBondContact O-CB 3.42Å; A241-V245 VanDerWaalsContact O-CG2 3.31Å; A241-V245 WeakPolarHBondContact O-CG2 3.31Å; A241-V245 PolarHBondContact O-N 2.96Å
242A91.8Very high90Very high56 Ų5689.7 Ų89.746%0.46352%0.515SS..Hα-helixtrans-63.8-40.2176.800000112.6V238 I239 V240 T246V238-A242 WeakPolarHBondContact O-CB 3.41Å; V238-A242 PolarHBondContact O-N 3.31Å; I239-A242 PolarHBondContact O-N 3.33Å; V240-A242 PolarHBondContact O-N 3.32Å; A242-T246 WeakPolarHBondContact O-CG2 3.44Å; A242-T246 PolarHBondContact O-N 3.2Å; A242-T246 PolarHBondContact O-OG1 2.93Å
243V94.9Very high90.1Very high75 Ų7591.6 Ų91.646%0.45552%0.523SS..Hα-helixtrans-66.4-42.6175.21710000111.3I239 V240 A241 T246 L247I239-V243 WeakPolarHBondContact O-CG2 3.34Å; I239-V243 PolarHBondContact O-N 3.44Å; V240-V243 PolarHBondContact O-N 3.36Å; A241-V243 PolarHBondContact O-N 2.87Å; V243-T246 WeakPolarHBondContact CA-OG1 3.34Å; V243-T246 PolarHBondContact O-N 3.3Å; V243-T246 PolarHBondContact O-OG1 3.03Å; V243-L247 HydrophobicContact CG1-CD1 3.9Å; V243-L247 HydrophobicContact CG1-CG 4.45Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 VanDerWaalsContact O-CG 3.26Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 3.48Å
244L96.2Very high90.4Very high95 Ų9590 Ų9050%0.49752%0.518SS..Hα-helixtrans-63.4-44.3175.8-72.1171000111.9V240 A241 L247 I248V240-L244 HydrophobicContact CG1-CD1 3.87Å; V240-L244 HydrophobicContact CG1-CG 4.32Å; V240-L244 WeakPolarHBondContact O-CB 3.31Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.47Å; V240-L244 PolarHBondContact O-N 3.43Å; A241-L244 PolarHBondContact O-N 3.33Å; L244-L247 PolarHBondContact O-N 3.46Å; L244-I248 WeakPolarHBondContact O-CB 3.21Å; L244-I248 WeakPolarHBondContact O-CD1 3.23Å; L244-I248 VanDerWaalsContact O-CG1 3.23Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 3.15Å
245V97.1Very high91.2Very high84 Ų8488.8 Ų88.851%0.50952%0.517SS..Hα-helixtrans-62.5-44.5177.4168.80000111.5A241 I248 L249A241-V245 WeakPolarHBondContact O-CB 3.42Å; A241-V245 VanDerWaalsContact O-CG2 3.31Å; A241-V245 WeakPolarHBondContact O-CG2 3.31Å; A241-V245 PolarHBondContact O-N 2.96Å; V245-I248 PolarHBondContact O-N 3.12Å; V245-L249 HydrophobicContact CG1-CD1 3.96Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.38Å; V245-L249 PolarHBondContact O-N 2.63Å
246T96.3Very high92Very high77 Ų7785 Ų8547%0.47251%0.505SS..Hα-helixtrans-66.4-39.5178.148.90000112.4A242 V243 L249 L250A242-T246 WeakPolarHBondContact O-CG2 3.44Å; A242-T246 PolarHBondContact O-N 3.2Å; A242-T246 PolarHBondContact O-OG1 2.93Å; V243-T246 WeakPolarHBondContact CA-OG1 3.34Å; V243-T246 PolarHBondContact O-N 3.3Å; V243-T246 PolarHBondContact O-OG1 3.03Å; T246-L249 PolarHBondContact O-N 2.82Å; T246-L250 WeakPolarHBondContact O-CB 3.47Å; T246-L250 VanDerWaalsContact O-CG 3.31Å; T246-L250 WeakPolarHBondContact O-CG 3.29Å; T246-L250 PolarHBondContact O-N 3.31Å
247L97.2Very high92.8Very high104 Ų10486.1 Ų86.155%0.54551%0.508SS..Hα-helixtrans-63.7-40.1173.6-71.5171.5000112.7V243 L244 L250 G251V243-L247 HydrophobicContact CG1-CD1 3.9Å; V243-L247 HydrophobicContact CG1-CG 4.45Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 VanDerWaalsContact O-CG 3.26Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 3.48Å; L244-L247 PolarHBondContact O-N 3.46Å; L247-L250 PolarHBondContact O-N 2.93Å; L247-G251 PolarHBondContact O-N 3.21Å
248I97.6Very high93.7Very high104 Ų10490.8 Ų90.853%0.53351%0.507SS..Hα-helixtrans-63.7-45.8175.6-71163.9000110.8L244 V245 L250 G251 I252L244-I248 WeakPolarHBondContact O-CB 3.21Å; L244-I248 WeakPolarHBondContact O-CD1 3.23Å; L244-I248 VanDerWaalsContact O-CG1 3.23Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 3.15Å; V245-I248 PolarHBondContact O-N 3.12Å; I248-L250 PolarHBondContact O-N 2.91Å; I248-G251 PolarHBondContact O-N 3Å; I248-I252 HydrophobicContact CG2-CD1 3.85Å; I248-I252 WeakPolarHBondContact O-CG1 3.34Å; I248-I252 PolarHBondContact O-N 2.9Å
249L97.4Very high94.3Very high106 Ų10689.9 Ų89.956%0.55550%0.496SS*.Hα-helixtrans-63.2-40.6178.1-70.5170.7000112.2V245 T246 I252 L253V245-L249 HydrophobicContact CG1-CD1 3.96Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.38Å; V245-L249 PolarHBondContact O-N 2.63Å; T246-L249 PolarHBondContact O-N 2.82Å; L249-I252 PolarHBondContact O-N 2.67Å; L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 PolarHBondContact O-N 2.75Å
250L97.4Very high94.6Very high93 Ų9387.9 Ų87.949%0.48749%0.493SS..Hα-helixtrans-64.1-41.5173.2-72.5169.8000111.9T246 L247 I248 L253 I254T246-L250 WeakPolarHBondContact O-CB 3.47Å; T246-L250 VanDerWaalsContact O-CG 3.31Å; T246-L250 WeakPolarHBondContact O-CG 3.29Å; T246-L250 PolarHBondContact O-N 3.31Å; L247-L250 PolarHBondContact O-N 2.93Å; I248-L250 PolarHBondContact O-N 2.91Å; L250-L253 PolarHBondContact O-N 3.15Å; L250-I254 WeakPolarHBondContact O-CB 3.26Å; L250-I254 WeakPolarHBondContact O-CD1 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.26Å; L250-I254 WeakPolarHBondContact O-CG1 3.42Å; L250-I254 PolarHBondContact O-N 2.91Å
251G97.4Very high94.6Very high40 Ų4093.6 Ų93.641%0.41251%0.508SS..Hα-helixtrans-60.1-44.1174.700000112.8L247 I248 F255L247-G251 PolarHBondContact O-N 3.21Å; I248-G251 PolarHBondContact O-N 3Å; G251-F255 VanDerWaalsContact O-CB 3.29Å; G251-F255 WeakPolarHBondContact O-CB 3.26Å; G251-F255 PolarHBondContact O-N 3.15Å
252I97.3Very high94.3Very high110 Ų11094.4 Ų94.456%0.56451%0.51SS*.Hα-helixtrans-63.1-42.8175.4-68.1164.8000111I248 L249 G256I248-I252 HydrophobicContact CG2-CD1 3.85Å; I248-I252 WeakPolarHBondContact O-CG1 3.34Å; I248-I252 PolarHBondContact O-N 2.9Å; L249-I252 PolarHBondContact O-N 2.67Å; I252-G256 PolarHBondContact O-N 2.85Å
253L96.8Very high93.7Very high105 Ų105100.6 Ų100.655%0.5552%0.522SS..Hα-helixtrans-63.4-48.4177.9-179.963.6000112L249 L250 G256 I257L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 PolarHBondContact O-N 2.75Å; L250-L253 PolarHBondContact O-N 3.15Å; L253-G256 PolarHBondContact O-N 3.42Å; L253-I257 HydrophobicContact CD1-CD1 4.18Å; L253-I257 HydrophobicContact CG-CD1 4.08Å; L253-I257 WeakPolarHBondContact O-CG1 3.15Å; L253-I257 PolarHBondContact O-N 3.4Å
254I96.8Very high92.2Very high116 Ų11699.5 Ų99.560%0.59553%0.525SS*.Hα-helixtrans-61.9-45178.3-68.3164.1000110.4L250 G256 I257 W258L250-I254 WeakPolarHBondContact O-CB 3.26Å; L250-I254 WeakPolarHBondContact O-CD1 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.26Å; L250-I254 WeakPolarHBondContact O-CG1 3.42Å; L250-I254 PolarHBondContact O-N 2.91Å; I254-G256 PolarHBondContact O-N 3.34Å; I254-I257 PolarHBondContact O-N 2.99Å; I254-W258 WeakPolarHBondContact O-CB 3.29Å; I254-W258 PolarHBondContact O-N 3.35Å
255F95.9Very high90.4Very high120 Ų120102.9 Ų102.953%0.52654%0.538SS..Hα-helixtrans-62.2-42.2175.8-177.6-100000111.8G251 W258 F259G251-F255 VanDerWaalsContact O-CB 3.29Å; G251-F255 WeakPolarHBondContact O-CB 3.26Å; G251-F255 PolarHBondContact O-N 3.15Å; F255-W258 HydrophobicContact CD2-CE3 4.11Å; F255-W258 HydrophobicContact CD2-CZ3 4.43Å; F255-W258 AromaticContact CE2-CE3 3.98Å; F255-W258 HydrophobicContact CE2-CE3 3.98Å; F255-W258 AromaticContact CE2-CZ3 3.86Å; F255-W258 HydrophobicContact CE2-CZ3 3.86Å; F255-W258 PolarHBondContact O-N 3.5Å; F255-F259 HydrophobicContact CE1-CD2 4.31Å; F255-F259 HydrophobicContact CZ-CD2 4.23Å; F255-F259 WeakPolarHBondContact O-CB 3.39Å; F255-F259 PolarHBondContact O-N 2.87Å
256G94.5Very high88.4Confident37 Ų37108.2 Ų108.238%0.38156%0.555SS.*Hα-helixtrans-61-43.8176.600000113.2I252 L253 I254 F259 A260I252-G256 PolarHBondContact O-N 2.85Å; L253-G256 PolarHBondContact O-N 3.42Å; I254-G256 PolarHBondContact O-N 3.34Å; G256-F259 PolarHBondContact O-N 2.95Å; G256-A260 WeakPolarHBondContact O-CB 3.46Å; G256-A260 PolarHBondContact O-N 2.94Å
257I93.3Very high86.1Confident109 Ų109110.1 Ų110.156%0.55956%0.562SS**Hα-helixtrans-63.5-47.6175.3-66.9164.7000110.6L253 I254 F259 A260 Y261L253-I257 HydrophobicContact CD1-CD1 4.18Å; L253-I257 HydrophobicContact CG-CD1 4.08Å; L253-I257 WeakPolarHBondContact O-CG1 3.15Å; L253-I257 PolarHBondContact O-N 3.4Å; I254-I257 PolarHBondContact O-N 2.99Å; I257-F259 VanDerWaalsContact C-N 3.32Å; I257-F259 PolarHBondContact O-N 2.93Å; I257-A260 PolarHBondContact O-N 3.22Å; I257-Y261 PolarHBondContact O-N 2.86Å
258W93.4Very high83.8Confident155 Ų155114.7 Ų114.759%0.58757%0.572SS**Hα-helixtrans-63.5-36.3177.817785000112.7I254 F255 Y261 S262I254-W258 WeakPolarHBondContact O-CB 3.29Å; I254-W258 PolarHBondContact O-N 3.35Å; F255-W258 HydrophobicContact CD2-CE3 4.11Å; F255-W258 HydrophobicContact CD2-CZ3 4.43Å; F255-W258 AromaticContact CE2-CE3 3.98Å; F255-W258 HydrophobicContact CE2-CE3 3.98Å; F255-W258 AromaticContact CE2-CZ3 3.86Å; F255-W258 HydrophobicContact CE2-CZ3 3.86Å; F255-W258 PolarHBondContact O-N 3.5Å; W258-Y261 PolarHBondContact O-N 2.93Å; W258-S262 VanDerWaalsContact O-CB 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.4Å; W258-S262 PolarHBondContact O-N 2.8Å; W258-S262 PolarHBondContact O-OG 3.35Å
259F92.3Very high81.4Confident80 Ų80114.8 Ų114.835%0.35158%0.578SS.*Hα-helixtrans-69.7-40.7176.9-174.4-98.9000112.1F255 G256 I257 S262 R263F255-F259 HydrophobicContact CE1-CD2 4.31Å; F255-F259 HydrophobicContact CZ-CD2 4.23Å; F255-F259 WeakPolarHBondContact O-CB 3.39Å; F255-F259 PolarHBondContact O-N 2.87Å; G256-F259 PolarHBondContact O-N 2.95Å; I257-F259 VanDerWaalsContact C-N 3.32Å; I257-F259 PolarHBondContact O-N 2.93Å; F259-S262 WeakPolarHBondContact CA-OG 3.41Å; F259-S262 PolarHBondContact O-OG 3.5Å; F259-R263 VanDerWaalsContact CZ-NE 3.31Å; F259-R263 WeakPolarHBondContact O-CB 3.3Å; F259-R263 PolarHBondContact O-N 2.97Å
260A88.4Confident78.7Confident54 Ų54119.9 Ų119.945%0.44660%0.596SS.*Hα-helixtrans-63.8-40.2173.700000112.2G256 I257 G264 H265G256-A260 WeakPolarHBondContact O-CB 3.46Å; G256-A260 PolarHBondContact O-N 2.94Å; I257-A260 PolarHBondContact O-N 3.22Å; A260-G264 PolarHBondContact O-N 2.91Å; A260-H265 PolarHBondContact O-N 2.91Å
261Y86.1Confident76Confident196 Ų196125 Ų12577%0.76961%0.614SS**Hα-helixtrans-66.8-51.4175.2-174.4-96.8000112I257 W258 R263 G264I257-Y261 PolarHBondContact O-N 2.86Å; W258-Y261 PolarHBondContact O-N 2.93Å; Y261-R263 VanDerWaalsContact C-N 3.33Å; Y261-R263 PolarHBondContact O-N 3.01Å; Y261-G264 PolarHBondContact O-N 3.37Å
262S82.4Confident73Confident66 Ų66127 Ų12746%0.46263%0.634SS.*Hα-helixtrans-69.2-24.5-177.155.40000114.4W258 F259 G264W258-S262 VanDerWaalsContact O-CB 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.4Å; W258-S262 PolarHBondContact O-N 2.8Å; W258-S262 PolarHBondContact O-OG 3.35Å; F259-S262 WeakPolarHBondContact CA-OG 3.41Å; F259-S262 PolarHBondContact O-OG 3.5Å; S262-G264 VanDerWaalsContact C-N 3.33Å
263R79.6Confident69.9Low187 Ų187127.7 Ų127.771%0.70665%0.649SS**THydrogen-bonded Turntrans-86.95.1169.2-71.7-167.9168.5-167.1-0.7114.5F259 Y261 H265F259-R263 VanDerWaalsContact CZ-NE 3.31Å; F259-R263 WeakPolarHBondContact O-CB 3.3Å; F259-R263 PolarHBondContact O-N 2.97Å; Y261-R263 VanDerWaalsContact C-N 3.33Å; Y261-R263 PolarHBondContact O-N 3.01Å; R263-H265 PolarHBondContact O-N 3.33Å
264G63Low66.8Low51 Ų51128.4 Ų128.453%0.52666%0.663SS.*THydrogen-bonded Turntrans66.828.6167.200000115.3A260 Y261 S262 F266A260-G264 PolarHBondContact O-N 2.91Å; Y261-G264 PolarHBondContact O-N 3.37Å; S262-G264 VanDerWaalsContact C-N 3.33Å; G264-F266 PolarHBondContact O-N 2.74Å
265H57.7Low64.3Low166 Ų166127.8 Ų127.877%0.76967%0.669SS**  trans-75.830.3-175.2-156.4-64.9000113.6A260 R263A260-H265 PolarHBondContact O-N 2.91Å; R263-H265 PolarHBondContact O-N 3.33Å
266F56Low61.4Low197 Ų197131.6 Ų131.686%0.86469%0.685SS**SBendtrans-142.643.1-171.8-140.2-87.7000113.9G264G264-F266 PolarHBondContact O-N 2.74Å
267D47.3Very low59Low117 Ų117139 Ų13963%0.62671%0.707SS**  trans-163.5148.7175.5-106.7-13.3000107.9
268R50Low56.3Low199 Ų199140.4 Ų140.475%0.75172%0.72SS**  cis-165.8159.8-0.7-131.5141.768.6-155.23.6106.2
269T46.8Very low53.9Low107 Ų107139.9 Ų139.966%0.65673%0.727SS**  cis-162.6153.15.3-22.10000110.5
270K39.6Very low51.5Low212 Ų212147.3 Ų147.392%0.92276%0.755SS**  trans-133.695146.4-88.3-171.5177.2178.90107.7
271K41.8Very low49.1Very low201 Ų201150.3 Ų150.387%0.87477%0.772SS**  75.7106.155.7-146.8-173.6-160.3-173.50112.4
272G33.4Very low47Very low81 Ų81149.8 Ų149.884%0.83578%0.777SS**  trans-166.9141.1173.600000108.7
273S32.8Very low44.9Very low126 Ų126152.8 Ų152.888%0.88180%0.795SS**  trans-127.1137.2-167.9179.90000112.1
274S32.1Very low42.8Very low119 Ų119149.8 Ų149.883%0.83280%0.803SS**  -168.1160.1129.1-161.60000111
275S44Very low41.6Very low103 Ų103151.6 Ų151.672%0.7281%0.813SS**  trans-101.3141.4-178.8176.70000112
276K34.3Very low40.6Very low201 Ų201154.1 Ų154.187%0.87482%0.815SS**  trans-160.8147.5140.2-111159.9-171.5178.70113.1
277K45.5Very low39.7Very low193 Ų193149 Ų14984%0.83980%0.804SS**  trans-88134.5-179.6-178.1-178.5-177.8-179.50109.3
278V36.7Very low39.4Very low137 Ų137150.7 Ų150.783%0.8381%0.808SS**  trans-125.4143.9177.4-1780000109.7
279I42.6Very low38.7Very low145 Ų145144.8 Ų144.874%0.74481%0.81SS**  trans-106.3149.9-178.4-64.9170.2000108.4
280Y41.7Very low38.2Very low235 Ų235148.4 Ų148.492%0.92282%0.819SS**  trans-61.6136.9178.7-76.9-91.8000113.3
281S37.5Very low38.2Very low117 Ų117145.6 Ų145.682%0.81881%0.807SS**  trans-150.6152.4154.156.20000109.9
282Q41.4Very low37.9Very low186 Ų186145.2 Ų145.287%0.86981%0.805SS**PPolyproline II helixtrans-82.3150.6-173-62.1161.7-94.700112.4
283P39.7Very low38.4Very low128 Ų128148.6 Ų148.683%0.83180%0.799SS**PPolyproline II helixtrans-76.8140.8156.6-523.2000110.7
284S34.7Very low38.6Very low125 Ų125149.5 Ų149.587%0.87480%0.8SS**PPolyproline II helixtrans-100.2171.3166.9-165.90000111.1
285A38.4Very low39.1Very low89 Ų89148.1 Ų148.174%0.73679%0.79SS**PPolyproline II helixtrans-80.8173-163.700000116.5
286R35.7Very low39Very low219 Ų219148.3 Ų148.383%0.82679%0.791SS**  trans72.7156.5166.8-105178.4159.6137.7-3.5116.2E288R286-E288 IonicContact CZ-OE1 2.81Å; R286-E288 IonicContact NE-OE1 3.99Å; R286-E288 PolarHBondContact NE-OE1 2.87Å; R286-E288 IonicContact NH2-OE1 2.76Å; R286-E288 PolarHBondContact NH2-OE1 3.01Å
287S38Very low39.5Very low89 Ų89147.1 Ų147.162%0.62279%0.786SS**  cis-146.5138.95.552.60000110.8
288E40.6Very low39.4Very low152 Ų152145 Ų14571%0.7178%0.784SS**  72.6137.2107.4-61.6171.4-169.100117.1R286R286-E288 IonicContact CZ-OE1 2.81Å; R286-E288 IonicContact NE-OE1 3.99Å; R286-E288 PolarHBondContact NE-OE1 2.87Å; R286-E288 IonicContact NH2-OE1 2.76Å; R286-E288 PolarHBondContact NH2-OE1 3.01Å
289G35.8Very low39.7Very low76 Ų76148.3 Ų148.378%0.78480%0.803SS**  trans89.3143.2168.500000116.7
290E36.3Very low39.6Very low182 Ų182148.5 Ų148.585%0.8581%0.806SS**  cis-154.8176.6-20.8-145.8-160.1107.700110.6
291F39.3Very low39.5Very low153 Ų153143.9 Ų143.967%0.67180%0.8SS**  trans-73.3143-176.1-139.2-109.9000112.3Q293F291-Q293 HydrophobicContact CE1-CB 4.28Å
292K34.9Very low39.6Very low194 Ų194145.4 Ų145.484%0.84380%0.799SS**  -165.2134.4116.4-105.6150.6-169.7159.90114.7
293Q43.5Very low39.5Very low151 Ų151143 Ų14371%0.70680%0.795SS**  trans-100.7140.7173.4175-173.610.900108.4F291F291-Q293 HydrophobicContact CE1-CB 4.28Å
294T37.5Very low39.5Very low146 Ų146143.9 Ų143.990%0.89679%0.793SS**  trans-141.9139.2160.35.90000109.5
295S43.2Very low39.8Very low90 Ų90145.2 Ų145.263%0.62979%0.788SS**  trans-129.2140.4-176.3173.50000109.5
296S42.2Very low39.9Very low106 Ų106149.2 Ų149.274%0.74179%0.791SS**  trans-172.8140.3145.547.80000108
297F44.3Very low40.2Very low176 Ų176143.8 Ų143.877%0.77279%0.789SS**  59.5131.352.3-74.1-69.1000110.7
298L43.3Very low40.4Very low149 Ų149148.4 Ų148.478%0.7880%0.803SS**  cis-140.6-175.28.3-83.2122.3000108.1
299V43.9Very low40.4Very low206 Ų206148.1 Ų148.1100%1.24881%0.811SS**  cis-129.507-177.30000108.6

Retrieved 299 of 299 residues in 515.3 ms (Link to these results)