A0A077Z1C2_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1C2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,127 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
1M51.4Low67.7Low210 Ų210120.2 Ų120.2100%1.03462%0.619SS**  0-44.90-74.9-179.9172.300114.1I3 L4M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 2.83Å; M1-I3 VanDerWaalsContact O-N 3.08Å; M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.12Å
2S58.6Low68.5Low86 Ų86125.1 Ų125.160%0.60162%0.624SS**Hα-helixtrans-44.3-45.6-170.9-165.60000116.8L4 H5 H6S2-L4 PolarHBondContact O-N 2.71Å; S2-H5 WeakPolarHBondContact O-CB 3.09Å; S2-H5 PolarHBondContact O-N 2.71Å; S2-H6 PolarHBondContact O-N 3.35Å
3I61.8Low69Low135 Ų135124.2 Ų124.269%0.69262%0.622SS**Hα-helixtrans-57.6-35.9-179.9-59.4172.7000112.3M1 H5 H6 W7M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 2.83Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-H5 VanDerWaalsContact C-N 3.3Å; I3-H5 PolarHBondContact O-N 2.92Å; I3-H6 PolarHBondContact O-N 2.71Å; I3-W7 PolarHBondContact O-N 3.14Å; I3-W7 VanDerWaalsContact O-N 3.15Å
4L64Low69.3Low130 Ų130122.7 Ų122.768%0.68162%0.616SS**Hα-helixtrans-69.1-28.7179.1-15673.1000112.2M1 S2 T8M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.12Å; S2-L4 PolarHBondContact O-N 2.71Å; L4-T8 WeakPolarHBondContact O-CG2 3.45Å; L4-T8 PolarHBondContact O-N 2.95Å; L4-T8 PolarHBondContact O-OG1 3.35Å
5H66.4Low69.4Low126 Ų126118.7 Ų118.758%0.58360%0.603SS**Hα-helixtrans-71.5-35.5172.3-85.6-66.5000112.6S2 I3 T8 T9S2-H5 WeakPolarHBondContact O-CB 3.09Å; S2-H5 PolarHBondContact O-N 2.71Å; I3-H5 VanDerWaalsContact C-N 3.3Å; I3-H5 PolarHBondContact O-N 2.92Å; H5-T8 WeakPolarHBondContact CA-OG1 2.91Å; H5-T8 PolarHBondContact O-OG1 3.38Å; H5-T9 WeakPolarHBondContact O-CB 3.2Å; H5-T9 WeakPolarHBondContact O-CG2 3.15Å; H5-T9 PolarHBondContact O-N 3.4Å; H5-T9 PolarHBondContact O-OG1 2.79Å
6H65.9Low69.3Low133 Ų133115.8 Ų115.862%0.61659%0.589SS**Hα-helixtrans-68.6-40.1174-82.9-49.1000112.7S2 I3 T9 C10S2-H6 PolarHBondContact O-N 3.35Å; I3-H6 PolarHBondContact O-N 2.71Å; H6-T9 WeakPolarHBondContact CA-OG1 3.21Å; H6-T9 PolarHBondContact O-OG1 3.4Å; H6-T9 VanDerWaalsContact O-OG1 3.07Å; H6-C10 WeakPolarHBondContact O-CB 3.4Å; H6-C10 PolarHBondContact O-N 3.13Å
7W72.6Confident68.8Low183 Ų183119.8 Ų119.869%0.69360%0.597SS**Hα-helixtrans-65.5-43.3174.8-83.373.6000112.6I3 C10 L11I3-W7 PolarHBondContact O-N 3.14Å; I3-W7 VanDerWaalsContact O-N 3.15Å; W7-C10 PolarHBondContact O-N 3.23Å; W7-L11 WeakPolarHBondContact O-CB 3.27Å; W7-L11 PolarHBondContact O-N 3.17Å
8T75.3Confident68Low75 Ų75117.3 Ų117.346%0.4659%0.593SS.*Hα-helixtrans-67.4-38.9177.246.10000112.9L4 H5 L11 W12L4-T8 WeakPolarHBondContact O-CG2 3.45Å; L4-T8 PolarHBondContact O-N 2.95Å; L4-T8 PolarHBondContact O-OG1 3.35Å; H5-T8 WeakPolarHBondContact CA-OG1 2.91Å; H5-T8 PolarHBondContact O-OG1 3.38Å; T8-L11 PolarHBondContact O-N 3.37Å; T8-W12 WeakPolarHBondContact O-CB 3.14Å; T8-W12 PolarHBondContact O-N 3.46Å
9T74.2Confident67Low71 Ų71118.1 Ų118.144%0.43660%0.598SS.*Hα-helixtrans-66.7-37.8174.148.70000112.7H5 H6 W12 L13H5-T9 WeakPolarHBondContact O-CB 3.2Å; H5-T9 WeakPolarHBondContact O-CG2 3.15Å; H5-T9 PolarHBondContact O-N 3.4Å; H5-T9 PolarHBondContact O-OG1 2.79Å; H6-T9 WeakPolarHBondContact CA-OG1 3.21Å; H6-T9 PolarHBondContact O-OG1 3.4Å; H6-T9 VanDerWaalsContact O-OG1 3.07Å; T9-W12 PolarHBondContact O-N 2.85Å; T9-L13 WeakPolarHBondContact O-CG 3.36Å; T9-L13 PolarHBondContact O-N 3.37Å
10C77.2Confident65.7Low71 Ų71120.4 Ų120.448%0.4861%0.607SS.*Hα-helixtrans-67.1-43.4175.1-164.40000112H6 W7 W12 L13 L14H6-C10 WeakPolarHBondContact O-CB 3.4Å; H6-C10 PolarHBondContact O-N 3.13Å; W7-C10 PolarHBondContact O-N 3.23Å; C10-W12 VanDerWaalsContact C-N 3.31Å; C10-W12 PolarHBondContact O-N 3.44Å; C10-L13 PolarHBondContact O-N 3.09Å; C10-L14 WeakPolarHBondContact O-CB 3.38Å; C10-L14 PolarHBondContact O-N 3.32Å
11L77.7Confident64.2Low102 Ų102121.7 Ų121.753%0.53461%0.611SS.*Hα-helixtrans-61.1-36.7171.1-92.1158.8000112.6W7 T8 L14 C15W7-L11 WeakPolarHBondContact O-CB 3.27Å; W7-L11 PolarHBondContact O-N 3.17Å; T8-L11 PolarHBondContact O-N 3.37Å; L11-L14 PolarHBondContact O-N 2.73Å; L11-C15 VanDerWaalsContact O-CB 3.31Å; L11-C15 WeakPolarHBondContact O-CB 3.46Å; L11-C15 PolarHBondContact O-N 2.99Å; L11-C15 PolarHBondContact O-SG 2.69Å
12W76.8Confident63.4Low179 Ų179119.6 Ų119.668%0.67860%0.598SS**Hα-helixtrans-70.6-37.9177.3-155.166000111.9T8 T9 C10 C15 L16T8-W12 WeakPolarHBondContact O-CB 3.14Å; T8-W12 PolarHBondContact O-N 3.46Å; T9-W12 PolarHBondContact O-N 2.85Å; C10-W12 VanDerWaalsContact C-N 3.31Å; C10-W12 PolarHBondContact O-N 3.44Å; W12-C15 PolarHBondContact O-N 3.09Å; W12-L16 HydrophobicContact CD2-CD1 4.07Å; W12-L16 HydrophobicContact CE3-CD1 3.63Å; W12-L16 HydrophobicContact CH2-CD1 4.28Å; W12-L16 HydrophobicContact CZ3-CD1 3.75Å; W12-L16 WeakPolarHBondContact O-CB 3.37Å; W12-L16 VanDerWaalsContact O-CG 3.29Å; W12-L16 WeakPolarHBondContact O-CG 3.23Å; W12-L16 PolarHBondContact O-N 2.79Å
13L75.2Confident62.3Low113 Ų113121.4 Ų121.459%0.59261%0.605SS**Hα-helixtrans-65.7-42.7171.8-75166000112.1T9 C10 L16 Y17T9-L13 WeakPolarHBondContact O-CG 3.36Å; T9-L13 PolarHBondContact O-N 3.37Å; C10-L13 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.34Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 3.07Å
14L73.4Confident61.5Low104 Ų104118.8 Ų118.855%0.54560%0.596SS.*Hα-helixtrans-65.2-38173.7-79.2163.9000112.2C10 L11 Y17 S18C10-L14 WeakPolarHBondContact O-CB 3.38Å; C10-L14 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 2.73Å; L14-Y17 PolarHBondContact O-N 2.85Å; L14-S18 WeakPolarHBondContact O-CB 2.98Å; L14-S18 PolarHBondContact O-N 3.45Å; L14-S18 PolarHBondContact O-OG 3.02Å
15C71Confident61.1Low62 Ų62114.1 Ų114.142%0.41957%0.574SS.*Hα-helixtrans-64.4-43.7171.9-75.30000111.7L11 W12 S18 L19L11-C15 VanDerWaalsContact O-CB 3.31Å; L11-C15 WeakPolarHBondContact O-CB 3.46Å; L11-C15 PolarHBondContact O-N 2.99Å; L11-C15 PolarHBondContact O-SG 2.69Å; W12-C15 PolarHBondContact O-N 3.09Å; C15-S18 PolarHBondContact O-N 2.81Å; C15-L19 VanDerWaalsContact O-CB 3.28Å; C15-L19 WeakPolarHBondContact O-CB 3.12Å; C15-L19 WeakPolarHBondContact O-CD1 3.44Å; C15-L19 PolarHBondContact O-N 3.07Å
16L67.3Low61.5Low73 Ų73111.9 Ų111.938%0.38256%0.564SS.*Hα-helixtrans-62.2-41.9175.5-77.8167.1000111.7W12 L13 S18 L19 Q20W12-L16 HydrophobicContact CD2-CD1 4.07Å; W12-L16 HydrophobicContact CE3-CD1 3.63Å; W12-L16 HydrophobicContact CH2-CD1 4.28Å; W12-L16 HydrophobicContact CZ3-CD1 3.75Å; W12-L16 WeakPolarHBondContact O-CB 3.37Å; W12-L16 VanDerWaalsContact O-CG 3.29Å; W12-L16 WeakPolarHBondContact O-CG 3.23Å; W12-L16 PolarHBondContact O-N 2.79Å; L13-L16 PolarHBondContact O-N 3.34Å; L16-S18 VanDerWaalsContact C-N 3.35Å; L16-L19 PolarHBondContact O-N 3.24Å; L16-Q20 PolarHBondContact O-N 2.92Å; L16-Q20 VanDerWaalsContact O-N 3.13Å
17Y61.4Low62.6Low183 Ų183106 Ų10672%0.71854%0.538SS*.Hα-helixtrans-64.4-39.7175.9-148-94.8000111.7L13 L14 Q20L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 3.07Å; L14-Y17 PolarHBondContact O-N 2.85Å; Y17-Q20 PolarHBondContact O-N 2.79Å
18S54.2Low63.3Low75 Ų7597.4 Ų97.452%0.52451%0.505SS..Hα-helixtrans-69.2-36.3174.4-54.60000112.4L14 C15 L16 Q20 Q21L14-S18 WeakPolarHBondContact O-CB 2.98Å; L14-S18 PolarHBondContact O-N 3.45Å; L14-S18 PolarHBondContact O-OG 3.02Å; C15-S18 PolarHBondContact O-N 2.81Å; L16-S18 VanDerWaalsContact C-N 3.35Å; S18-Q20 PolarHBondContact O-N 3.36Å; S18-Q21 WeakPolarHBondContact O-CB 3.37Å; S18-Q21 PolarHBondContact O-N 2.89Å
19L48.1Very low64Low133 Ų13396 Ų9670%0.69649%0.493SS*.Hα-helixtrans-71.5-9174.3-87.5153.5000113.5C15 L16 Q21C15-L19 VanDerWaalsContact O-CB 3.28Å; C15-L19 WeakPolarHBondContact O-CB 3.12Å; C15-L19 WeakPolarHBondContact O-CD1 3.44Å; C15-L19 PolarHBondContact O-N 3.07Å; L16-L19 PolarHBondContact O-N 3.24Å; L19-Q21 VanDerWaalsContact C-N 3.33Å
20Q41.9Very low64.8Low164 Ų16492.7 Ų92.777%0.76647%0.473SS*.THydrogen-bonded Turntrans-83.9-6.2165.7-69-168.5-91.400113.2L16 Y17 S18L16-Q20 PolarHBondContact O-N 2.92Å; L16-Q20 VanDerWaalsContact O-N 3.13Å; Y17-Q20 PolarHBondContact O-N 2.79Å; S18-Q20 PolarHBondContact O-N 3.36Å
21Q33.5Very low65.3Low148 Ų14892.3 Ų92.369%0.69248%0.475SS*.SBendtrans-91.4153.2167.8-67.1-176-37.700111.6S18 L19 V23S18-Q21 WeakPolarHBondContact O-CB 3.37Å; S18-Q21 PolarHBondContact O-N 2.89Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; Q21-V23 PolarHBondContact O-N 2.86Å
22E34.9Very low65.8Low165 Ų16593.5 Ų93.577%0.77148%0.476SS*.  trans64.634164.1-59.4-118.2114.200119.2T24E22-T24 HydrophobicContact CB-CG2 4.28Å; E22-T24 PolarHBondContact O-N 3.18Å
23V36.2Very low66.3Low125 Ų12586.4 Ų86.476%0.75845%0.45SS*.  trans-68.785.2149.7-177.10000108.3Q21 S25Q21-V23 PolarHBondContact O-N 2.86Å; V23-S25 PolarHBondContact O-N 3.32Å
24T44.8Very low66.8Low79 Ų7983.8 Ų83.849%0.48545%0.45SS..  trans-71.492.2-166.1390000113.1E22 Q26E22-T24 HydrophobicContact CB-CG2 4.28Å; E22-T24 PolarHBondContact O-N 3.18Å; T24-Q26 PolarHBondContact O-N 2.87Å; T24-Q26 VanDerWaalsContact O-N 3.1Å
25S55.4Low67.4Low33 Ų3379.6 Ų79.623%0.23143%0.432CS..  trans-63.6108.8173.755.50000111.9V23 C27 H78 R240V23-S25 PolarHBondContact O-N 3.32Å; S25-C27 PolarHBondContact O-N 2.9Å; S25-H78 WeakPolarHBondContact CA-NE2 3.22Å; S25-R240 PolarHBondContact O-NH1 3.15Å; S25-R240 PolarHBondContact OG-NH1 2.9Å
26Q74.7Confident68.2Low79 Ų7980.8 Ų80.837%0.36943%0.431SS..  trans-68.76.3-175.6-63.3-179.5-7.700114.9T24 Y33T24-Q26 PolarHBondContact O-N 2.87Å; T24-Q26 VanDerWaalsContact O-N 3.1Å; Q26-Y33 VanDerWaalsContact CB-OH 3.29Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.49Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.25Å; Q26-Y33 PolarHBondContact OE1-OH 2.9Å
27C88.5Confident69.1Low10 Ų1080.4 Ų80.47%0.06844%0.435CS..THydrogen-bonded Turntrans-72.1158.4174.756.10000111.4S25 E29 P70 P163 C165 R240S25-C27 PolarHBondContact O-N 2.9Å; C27-E29 PolarHBondContact O-N 2.9Å; C27-E29 VanDerWaalsContact O-N 3.15Å; C27-P70 HydrophobicContact CB-CG 4.34Å; C27-P163 HydrophobicContact CB-CG 4.22Å; C27-C165 HydrophobicContact CB-CB 4.01Å; C27-C165 WeakPolarHBondContact CB-SG 3.26Å; C27-C165 PolarHBondContact O-SG 2.77Å; C27-C165 WeakPolarHBondContact SG-CA 3.2Å; C27-C165 WeakPolarHBondContact SG-CB 3.39Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 2.75Å; C27-R240 VanDerWaalsContact O-CD 3.31Å; C27-R240 WeakPolarHBondContact O-CD 3.12Å; C27-R240 WeakPolarHBondContact O-CG 3.5Å
28G88.2Confident70.2Confident1 Ų172.5 Ų72.51%0.0141%0.405CS..THydrogen-bonded Turntrans68.78.6175.100000115.3I38 P163 A241G28-I38 WeakPolarHBondContact O-CD1 3.26Å; G28-P163 PolarHBondContact N-O 2.81Å; G28-A241 WeakPolarHBondContact CA-O 3.32Å; G28-A241 PolarHBondContact O-N 3.03Å; G28-A241 VanDerWaalsContact O-N 3.17Å
29E90Very high71.5Confident45 Ų4573 Ų7321%0.2140%0.399CS..  trans-129.987.1178.6-72.4176.5-147.900110.9C27 A31 K32 R240C27-E29 PolarHBondContact O-N 2.9Å; C27-E29 VanDerWaalsContact O-N 3.15Å; E29-A31 PolarHBondContact O-N 2.92Å; E29-A31 VanDerWaalsContact O-N 3.14Å; E29-K32 HydrophobicContact CB-CG 3.85Å; E29-K32 WeakPolarHBondContact O-CB 3.17Å; E29-K32 PolarHBondContact O-N 2.71Å; E29-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 WeakPolarHBondContact OE2-CE 3.46Å; E29-K32 IonicContact OE2-NZ 2.63Å; E29-R240 HydrophobicContact CG-CG 4.2Å; E29-R240 IonicContact OE1-CZ 3.43Å; E29-R240 IonicContact OE1-NE 3.86Å; E29-R240 PolarHBondContact OE1-NE 3.18Å; E29-R240 IonicContact OE1-NH2 2.92Å; E29-R240 PolarHBondContact OE1-NH2 2.97Å
30P89.5Confident73.3Confident2 Ų267.8 Ų67.81%0.01338%0.375CS..G310 helixtrans-61.5-26.8-173.6-24.935.2000115.1K32 Y33 G34 G35 Y41 P50 W51P30-K32 PolarHBondContact O-N 2.78Å; P30-Y33 PolarHBondContact O-N 3.03Å; P30-G34 PolarHBondContact O-N 3.42Å; P30-G35 PolarHBondContact O-N 3.07Å; P30-Y41 HydrophobicContact CB-CE2 3.88Å; P30-Y41 HydrophobicContact CG-CD2 4.45Å; P30-Y41 HydrophobicContact CG-CE2 4.11Å; P30-P50 HydrophobicContact CB-CG 3.67Å; P30-P50 HydrophobicContact CG-CG 3.54Å; P30-W51 HydrophobicContact CG-CH2 4.39Å; P30-W51 HydrophobicContact CG-CZ3 3.79Å
31A88.4Confident75.1Confident63 Ų6361 Ų6152%0.52134%0.342SS..G310 helixtrans-56.4-30.617500000113.1E29 Y33 G34 G35E29-A31 PolarHBondContact O-N 2.92Å; E29-A31 VanDerWaalsContact O-N 3.14Å; A31-Y33 PolarHBondContact O-N 3.19Å; A31-Y33 VanDerWaalsContact O-N 3.15Å; A31-G34 PolarHBondContact O-N 3.29Å; A31-G34 VanDerWaalsContact O-N 3.13Å; A31-G35 WeakPolarHBondContact CA-O 3.02Å
32K87.4Confident77.3Confident127 Ų12755.7 Ų55.755%0.55232%0.319SS*.G310 helixtrans-64.7-16.4175.8-58.1-65.4-179.5177.50113.4E29 P30E29-K32 HydrophobicContact CB-CG 3.85Å; E29-K32 WeakPolarHBondContact O-CB 3.17Å; E29-K32 PolarHBondContact O-N 2.71Å; E29-K32 VanDerWaalsContact O-N 3.08Å; E29-K32 WeakPolarHBondContact OE2-CE 3.46Å; E29-K32 IonicContact OE2-NZ 2.63Å; P30-K32 PolarHBondContact O-N 2.78Å
33Y87.3Confident79.4Confident31 Ų3152.9 Ų52.912%0.12231%0.309CS..G310 helixtrans-115.113.8177.8-56-70.6000112.9Q26 P30 A31 F157 N158 K159 P163Q26-Y33 VanDerWaalsContact CB-OH 3.29Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.49Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.25Å; Q26-Y33 PolarHBondContact OE1-OH 2.9Å; P30-Y33 PolarHBondContact O-N 3.03Å; A31-Y33 PolarHBondContact O-N 3.19Å; A31-Y33 VanDerWaalsContact O-N 3.15Å; Y33-F157 HydrophobicContact CD1-CB 3.58Å; Y33-F157 HydrophobicContact CD1-CD2 4.32Å; Y33-F157 HydrophobicContact CD1-CG 4.41Å; Y33-F157 HydrophobicContact CE1-CB 3.91Å; Y33-F157 AromaticContact CE1-CD2 3.76Å; Y33-F157 HydrophobicContact CE1-CD2 3.76Å; Y33-F157 HydrophobicContact CE1-CG 4.31Å; Y33-F157 HydrophobicContact CE2-CD2 4.4Å; Y33-F157 HydrophobicContact CG-CB 3.92Å; Y33-F157 AromaticContact CZ-CD2 3.8Å; Y33-N158 CarbonylContact O-C 3.59Å; Y33-K159 PolarHBondContact O-N 3.1Å; Y33-P163 HydrophobicContact CE2-CG 4.45Å
34G86.4Confident81.1Confident58 Ų5848.8 Ų48.860%0.59829%0.286SS*.THydrogen-bonded Turntrans82.511.6-179.700000115.2P30 A31 K159P30-G34 PolarHBondContact O-N 3.42Å; A31-G34 PolarHBondContact O-N 3.29Å; A31-G34 VanDerWaalsContact O-N 3.13Å; G34-K159 WeakPolarHBondContact O-CB 3.44Å
35G86.2Confident82Confident16 Ų1653.5 Ų53.517%0.16530%0.3CS..  trans-81177.317100000112.4P30 A31 K159P30-G35 PolarHBondContact O-N 3.07Å; A31-G35 WeakPolarHBondContact CA-O 3.02Å; G35-K159 WeakPolarHBondContact CA-O 3.43Å
36Q86.8Confident82.4Confident86 Ų8655.3 Ų55.340%0.40231%0.312SS..  trans-69.2171.1174-52.4-148.846.800112.6A40 Y41 E47Q36-A40 HydrophobicContact CB-CB 4.02Å; Q36-Y41 HydrophobicContact CB-CD2 3.99Å; Q36-Y41 HydrophobicContact CB-CE2 3.75Å; Q36-Y41 HydrophobicContact CG-CE2 4.49Å; Q36-E47 PolarHBondContact NE2-OE1 3.49Å; Q36-E47 PolarHBondContact NE2-OE2 2.87Å
37S87.2Confident82.3Confident66 Ų6654.5 Ų54.546%0.46231%0.308SS..  trans-65.3152.7166.575.50000110.3Q39 A40 Y41S37-Q39 PolarHBondContact O-N 2.83Å; S37-A40 PolarHBondContact O-N 3.35Å; S37-A40 VanDerWaalsContact O-N 3.14Å; S37-A40 WeakPolarHBondContact OG-CB 3.41Å; S37-A40 PolarHBondContact OG-N 3.01Å; S37-Y41 WeakPolarHBondContact O-CD2 3.44Å; S37-Y41 PolarHBondContact O-N 2.98Å
38I84.5Confident82Confident16 Ų1655 Ų558%0.08231%0.311CS..Hα-helixtrans-60.7-36.1-180-40.1172.3000110.7G28 Y41 L42 L49 W51 L236 G239 A241G28-I38 WeakPolarHBondContact O-CD1 3.26Å; I38-Y41 WeakPolarHBondContact O-CB 3.4Å; I38-Y41 PolarHBondContact O-N 3.48Å; I38-L42 HydrophobicContact CG2-CD1 4.2Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.26Å; I38-L42 PolarHBondContact O-N 3.43Å; I38-L42 VanDerWaalsContact O-N 3.16Å; I38-L49 HydrophobicContact CG2-CD2 4.29Å; I38-W51 HydrophobicContact CG2-CH2 4.19Å; I38-L236 HydrophobicContact CD1-CD2 4.18Å; I38-L236 HydrophobicContact CG2-CD2 3.82Å; I38-G239 WeakPolarHBondContact CD1-O 3.32Å; I38-A241 HydrophobicContact CD1-CB 4.01Å
39Q82.5Confident82.1Confident85 Ų8555.1 Ų55.140%0.39731%0.312SS..Hα-helixtrans-62.4-43.9177.5-170.95454.300111.2S37 Y41 L42 D43S37-Q39 PolarHBondContact O-N 2.83Å; Q39-Y41 VanDerWaalsContact C-N 3.34Å; Q39-Y41 PolarHBondContact O-N 2.95Å; Q39-L42 PolarHBondContact O-N 3.28Å; Q39-D43 WeakPolarHBondContact CG-OD2 3.49Å; Q39-D43 PolarHBondContact NE2-OD1 3.21Å; Q39-D43 PolarHBondContact NE2-OD2 2.96Å; Q39-D43 VanDerWaalsContact O-CG 3.31Å; Q39-D43 PolarHBondContact O-N 3.09Å; Q39-D43 VanDerWaalsContact O-OD2 3.13Å
40A84.2Confident82.2Confident25 Ų2553.2 Ų53.221%0.20730%0.303CS..Hα-helixtrans-62-38175.700000113Q36 S37 L42 S44Q36-A40 HydrophobicContact CB-CB 4.02Å; S37-A40 PolarHBondContact O-N 3.35Å; S37-A40 VanDerWaalsContact O-N 3.14Å; S37-A40 WeakPolarHBondContact OG-CB 3.41Å; S37-A40 PolarHBondContact OG-N 3.01Å; A40-L42 VanDerWaalsContact C-N 3.26Å; A40-L42 PolarHBondContact O-N 3.39Å; A40-S44 WeakPolarHBondContact O-CB 3.34Å; A40-S44 PolarHBondContact O-N 3.05Å
41Y81.3Confident82.4Confident20 Ų2053.1 Ų53.18%0.07830%0.302CS..Hα-helixtrans-61.9-31171.5-81.6-76.8000113.3P30 Q36 S37 I38 Q39 E47 V48 L49 P50 K159P30-Y41 HydrophobicContact CB-CE2 3.88Å; P30-Y41 HydrophobicContact CG-CD2 4.45Å; P30-Y41 HydrophobicContact CG-CE2 4.11Å; Q36-Y41 HydrophobicContact CB-CD2 3.99Å; Q36-Y41 HydrophobicContact CB-CE2 3.75Å; Q36-Y41 HydrophobicContact CG-CE2 4.49Å; S37-Y41 WeakPolarHBondContact O-CD2 3.44Å; S37-Y41 PolarHBondContact O-N 2.98Å; I38-Y41 WeakPolarHBondContact O-CB 3.4Å; I38-Y41 PolarHBondContact O-N 3.48Å; Q39-Y41 VanDerWaalsContact C-N 3.34Å; Q39-Y41 PolarHBondContact O-N 2.95Å; Y41-E47 HydrophobicContact CD1-CB 3.8Å; Y41-E47 HydrophobicContact CE1-CB 4.23Å; Y41-V48 WeakPolarHBondContact CE1-O 3.39Å; Y41-L49 HydrophobicContact CG-CD2 4.2Å; Y41-P50 HydrophobicContact CE1-CG 4.48Å; Y41-P50 HydrophobicContact CE2-CG 4.08Å; Y41-K159 PolarHBondContact OH-O 3.09Å
42L79.1Confident82.7Confident37 Ų3750.3 Ų50.319%0.19428%0.279CS..Hα-helixtrans-87-31.4-177.9-65.8169.9000112.7I38 Q39 A40 F180 L236I38-L42 HydrophobicContact CG2-CD1 4.2Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.26Å; I38-L42 PolarHBondContact O-N 3.43Å; I38-L42 VanDerWaalsContact O-N 3.16Å; Q39-L42 PolarHBondContact O-N 3.28Å; A40-L42 VanDerWaalsContact C-N 3.26Å; A40-L42 PolarHBondContact O-N 3.39Å; L42-F180 HydrophobicContact CD1-CD2 4.4Å; L42-F180 HydrophobicContact CD1-CE1 4.35Å; L42-F180 HydrophobicContact CD1-CE2 3.68Å; L42-F180 HydrophobicContact CD1-CZ 3.65Å; L42-F180 HydrophobicContact CD2-CD1 3.78Å; L42-F180 HydrophobicContact CD2-CD2 4.12Å; L42-F180 HydrophobicContact CD2-CE1 3.67Å; L42-F180 HydrophobicContact CD2-CE2 4.03Å; L42-F180 HydrophobicContact CD2-CG 4Å; L42-F180 HydrophobicContact CD2-CZ 3.81Å; L42-F180 HydrophobicContact CG-CE1 4.49Å; L42-F180 HydrophobicContact CG-CZ 4.26Å; L42-L236 HydrophobicContact CD1-CD1 3.85Å
43D79.2Confident83Confident107 Ų10744.2 Ų44.257%0.57225%0.252SS*.Hα-helixtrans-76.1-38173-62-36.1000111Q39 K45Q39-D43 WeakPolarHBondContact CG-OD2 3.49Å; Q39-D43 PolarHBondContact NE2-OD1 3.21Å; Q39-D43 PolarHBondContact NE2-OD2 2.96Å; Q39-D43 VanDerWaalsContact O-CG 3.31Å; Q39-D43 PolarHBondContact O-N 3.09Å; Q39-D43 VanDerWaalsContact O-OD2 3.13Å; D43-K45 PolarHBondContact O-N 3.36Å
44S72.4Confident83.3Confident38 Ų3842.8 Ų42.827%0.26625%0.247SC..  trans-74.885.8174.5-170.50000110.8A40 S46 E47A40-S44 WeakPolarHBondContact O-CB 3.34Å; A40-S44 PolarHBondContact O-N 3.05Å; S44-S46 PolarHBondContact O-N 3.47Å; S44-E47 VanDerWaalsContact CB-OE1 3.26Å; S44-E47 WeakPolarHBondContact CB-OE1 3.32Å; S44-E47 PolarHBondContact O-N 3.01Å; S44-E47 WeakPolarHBondContact OG-CG 3.32Å; S44-E47 PolarHBondContact OG-OE1 3.41Å
45K63.3Low83.6Confident178 Ų17840 Ų4077%0.77422%0.218SC*.THydrogen-bonded Turntrans-54.912.6172.6-66-177.3178.51730115.4D43 R188D43-K45 PolarHBondContact O-N 3.36Å; K45-R188 PolarHBondContact O-NH2 2.84Å
46S62.6Low83.8Confident71 Ų7140.8 Ų40.850%0.49722%0.216SC..THydrogen-bonded Turntrans-128.61.1174.4-73.10000114.8S44 R188S44-S46 PolarHBondContact O-N 3.47Å; S46-R188 VanDerWaalsContact CA-NH1 3.32Å; S46-R188 VanDerWaalsContact CB-NH1 3.3Å; S46-R188 PolarHBondContact OG-NH1 3.35Å
47E73.1Confident83.8Confident62 Ų6237.2 Ų37.229%0.2920%0.202SC..  trans-103.1152.3177.6-69.2177-11600111.2Q36 Y41 S44Q36-E47 PolarHBondContact NE2-OE1 3.49Å; Q36-E47 PolarHBondContact NE2-OE2 2.87Å; Y41-E47 HydrophobicContact CD1-CB 3.8Å; Y41-E47 HydrophobicContact CE1-CB 4.23Å; S44-E47 VanDerWaalsContact CB-OE1 3.26Å; S44-E47 WeakPolarHBondContact CB-OE1 3.32Å; S44-E47 PolarHBondContact O-N 3.01Å; S44-E47 WeakPolarHBondContact OG-CG 3.32Å; S44-E47 PolarHBondContact OG-OE1 3.41Å
48V83.3Confident83.3Confident20 Ų2041.6 Ų41.612%0.12121%0.213CC..  trans-111.6136.6-174.1-179.20000107Y41 T52 L189Y41-V48 WeakPolarHBondContact CE1-O 3.39Å; V48-T52 HydrophobicContact CG1-CG2 4.1Å; V48-L189 HydrophobicContact CB-CB 4.37Å; V48-L189 HydrophobicContact CG1-CB 3.69Å; V48-L189 HydrophobicContact CG1-CD1 4.01Å; V48-L189 HydrophobicContact CG1-CG 4.48Å; V48-L189 HydrophobicContact CG2-CB 3.68Å
49L90Very high82.7Confident5 Ų550.4 Ų50.43%0.02625%0.251CS..  trans-62.4133.3-179.2-69.6166.7000109.9I38 Y41 W51 T52 E191I38-L49 HydrophobicContact CG2-CD2 4.29Å; Y41-L49 HydrophobicContact CG-CD2 4.2Å; L49-W51 HydrophobicContact CB-CD2 4.28Å; L49-W51 HydrophobicContact CB-CZ2 3.94Å; L49-W51 HydrophobicContact CD1-CZ2 3.83Å; L49-W51 HydrophobicContact CD2-CH2 4.18Å; L49-W51 HydrophobicContact CD2-CZ2 3.74Å; L49-W51 HydrophobicContact CG-CZ2 4.05Å; L49-W51 PolarHBondContact O-N 3.09Å; L49-T52 VanDerWaalsContact O-CB 3.23Å; L49-T52 WeakPolarHBondContact O-CB 3.48Å; L49-T52 PolarHBondContact O-N 2.88Å; L49-T52 PolarHBondContact O-OG1 3.06Å; L49-E191 HydrophobicContact CD1-CG 3.86Å; L49-E191 HydrophobicContact CG-CG 3.93Å; L49-E191 PolarHBondContact N-OE1 2.83Å
50P92.1Very high82.2Confident4 Ų447.7 Ų47.73%0.02625%0.245CC..THydrogen-bonded Turntrans-71.6-5.3-165.423.9-32.6000114.8P30 Y41 V161 S162P30-P50 HydrophobicContact CB-CG 3.67Å; P30-P50 HydrophobicContact CG-CG 3.54Å; Y41-P50 HydrophobicContact CE1-CG 4.48Å; Y41-P50 HydrophobicContact CE2-CG 4.08Å; P50-V161 WeakPolarHBondContact O-CA 3.41Å; P50-S162 CarbonylContact C-O 3.56Å; P50-S162 WeakPolarHBondContact CG-OG 3.37Å; P50-S162 PolarHBondContact O-N 3.36Å
51W93.8Very high82Confident0 Ų049 Ų490%025%0.254CS..THydrogen-bonded Turntrans-87.4-19.116743.175.9000113.7P30 I38 L49 V53 S67 I68 S162 V164 V234 A241P30-W51 HydrophobicContact CG-CH2 4.39Å; P30-W51 HydrophobicContact CG-CZ3 3.79Å; I38-W51 HydrophobicContact CG2-CH2 4.19Å; L49-W51 HydrophobicContact CB-CD2 4.28Å; L49-W51 HydrophobicContact CB-CZ2 3.94Å; L49-W51 HydrophobicContact CD1-CZ2 3.83Å; L49-W51 HydrophobicContact CD2-CH2 4.18Å; L49-W51 HydrophobicContact CD2-CZ2 3.74Å; L49-W51 HydrophobicContact CG-CZ2 4.05Å; L49-W51 PolarHBondContact O-N 3.09Å; W51-V53 PolarHBondContact O-N 2.79Å; W51-S67 CarbonylContact O-C 3.49Å; W51-S67 VanDerWaalsContact O-CA 3.29Å; W51-S67 WeakPolarHBondContact O-CA 3.38Å; W51-I68 PolarHBondContact O-N 2.74Å; W51-S162 WeakPolarHBondContact CA-O 3.29Å; W51-S162 WeakPolarHBondContact CB-O 3.37Å; W51-S162 PolarHBondContact N-O 3.07Å; W51-V164 HydrophobicContact CB-CB 3.95Å; W51-V164 HydrophobicContact CB-CG1 4.44Å; W51-V164 HydrophobicContact CD2-CB 3.7Å; W51-V164 HydrophobicContact CD2-CG2 4.01Å; W51-V164 HydrophobicContact CE3-CB 4.03Å; W51-V164 HydrophobicContact CE3-CG2 4.34Å; W51-V164 HydrophobicContact CG-CB 3.69Å; W51-V164 HydrophobicContact CG-CG1 4.42Å; W51-V164 HydrophobicContact CG-CG2 4.34Å; W51-V164 HydrophobicContact CZ2-CG2 4.4Å; W51-V234 HydrophobicContact CZ2-CG1 4.06Å; W51-A241 HydrophobicContact CH2-CB 3.23Å; W51-A241 HydrophobicContact CZ2-CB 3.59Å; W51-A241 HydrophobicContact CZ3-CB 3.98Å
52T93.7Very high82.3Confident4 Ų449.4 Ų49.43%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-71.4126.2-174-600000110.6V48 L49 G66 S182 E191V48-T52 HydrophobicContact CG1-CG2 4.1Å; L49-T52 VanDerWaalsContact O-CB 3.23Å; L49-T52 WeakPolarHBondContact O-CB 3.48Å; L49-T52 PolarHBondContact O-N 2.88Å; L49-T52 PolarHBondContact O-OG1 3.06Å; T52-G66 WeakPolarHBondContact CA-O 3.35Å; T52-S182 PolarHBondContact OG1-OG 3.13Å; T52-E191 PolarHBondContact OG1-OE1 2.89Å
53V94.4Very high82.8Confident0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-123.9146-178.3-60.70000113.3W51 L65 G66 I68 I85 V108 F109 A110 F155W51-V53 PolarHBondContact O-N 2.79Å; V53-L65 CarbonylContact O-C 3.55Å; V53-L65 VanDerWaalsContact O-CA 3.25Å; V53-L65 WeakPolarHBondContact O-CA 3.45Å; V53-G66 PolarHBondContact N-O 2.88Å; V53-G66 PolarHBondContact O-N 3.08Å; V53-I68 HydrophobicContact CG1-CD1 3.85Å; V53-I68 HydrophobicContact CG1-CG1 3.63Å; V53-I85 HydrophobicContact CG1-CD1 4.43Å; V53-I85 HydrophobicContact CG2-CD1 4.35Å; V53-I85 HydrophobicContact CG2-CG2 3.52Å; V53-V108 HydrophobicContact CB-CG1 3.83Å; V53-V108 HydrophobicContact CG1-CG1 4.44Å; V53-V108 HydrophobicContact CG2-CG1 3.79Å; V53-F109 CarbonylContact C-O 3.59Å; V53-F109 VanDerWaalsContact CA-O 3.31Å; V53-F109 WeakPolarHBondContact CA-O 3.45Å; V53-F109 VanDerWaalsContact CB-O 3.28Å; V53-F109 WeakPolarHBondContact CB-O 3.3Å; V53-A110 HydrophobicContact CG1-CB 3.67Å; V53-F155 HydrophobicContact CG1-CE2 4.21Å
54A93.1Very high83.4Confident0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-100123.3176.100000111.2F62 F109 L115 L189A54-F62 HydrophobicContact CB-CE2 4.5Å; A54-F109 PolarHBondContact N-O 3.04Å; A54-F109 PolarHBondContact O-N 2.73Å; A54-L115 HydrophobicContact CB-CD1 4.05Å; A54-L115 HydrophobicContact CB-CD2 4.48Å; A54-L189 HydrophobicContact CB-CD1 4.42Å
55I93.1Very high84.4Confident0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-95118.4174.9-53.2-177.8000108.8K63 C64 T87 F92 Y106 V108I55-K63 HydrophobicContact CG2-CB 4.41Å; I55-K63 WeakPolarHBondContact O-CB 3.17Å; I55-K63 PolarHBondContact O-N 2.85Å; I55-C64 HydrophobicContact CB-CB 4.4Å; I55-C64 HydrophobicContact CD1-CB 4.41Å; I55-C64 PolarHBondContact N-O 3.01Å; I55-C64 PolarHBondContact O-N 3.22Å; I55-T87 HydrophobicContact CD1-CG2 3.68Å; I55-T87 WeakPolarHBondContact CD1-OG1 3.37Å; I55-F92 HydrophobicContact CD1-CZ 4.06Å; I55-F92 HydrophobicContact CG2-CE1 4.29Å; I55-Y106 HydrophobicContact CG2-CD1 4.28Å; I55-V108 HydrophobicContact CG1-CG2 4.36Å
56R89.3Confident85.9Confident33 Ų3335.6 Ų35.613%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-112.2139.3-179.9-154.2175.8-178-153-13.1109.6G60 S61 Y106 K107 F109 L115 R116 L117R56-G60 PolarHBondContact NE-O 3.48Å; R56-G60 VanDerWaalsContact NH2-CA 3.31Å; R56-G60 PolarHBondContact NH2-O 2.86Å; R56-G60 VanDerWaalsContact NH2-O 3.09Å; R56-S61 WeakPolarHBondContact CG-O 3.28Å; R56-Y106 CarbonylContact O-C 3.06Å; R56-Y106 WeakPolarHBondContact O-CA 3.49Å; R56-K107 PolarHBondContact N-O 3.28Å; R56-K107 PolarHBondContact O-N 2.89Å; R56-F109 HydrophobicContact CB-CD2 4.2Å; R56-F109 HydrophobicContact CB-CE2 3.77Å; R56-F109 HydrophobicContact CG-CE2 4.49Å; R56-L115 HydrophobicContact CG-CD2 4.19Å; R56-R116 PolarHBondContact NH1-O 2.79Å; R56-L117 PolarHBondContact NH1-O 3.11Å; R56-L117 PolarHBondContact NH2-O 2.84Å
57G86.7Confident87.5Confident10 Ų1032.2 Ų32.210%0.10316%0.16CC..EExtended strand (participates in β ladder)trans-73.4152.3165.800000110.8F59 G60 S61G57-F59 PolarHBondContact O-N 3.19Å; G57-F59 VanDerWaalsContact O-N 3.08Å; G57-G60 PolarHBondContact O-N 3.02Å; G57-S61 PolarHBondContact N-O 3.05Å
58K77.1Confident88.6Confident158 Ų15829.2 Ų29.269%0.68715%0.147SC*.THydrogen-bonded Turntrans-54.6-31.4-177.3-169.2168.4-176.1170.80113.8G60 S105K58-G60 PolarHBondContact O-N 3.32Å; K58-S105 WeakPolarHBondContact CB-O 3.33Å; K58-S105 PolarHBondContact N-O 3.16Å
59F73Confident89Confident202 Ų20228.7 Ų28.789%0.88614%0.143SC*.THydrogen-bonded Turntrans-83.526.6173.7-56.3-73.7000114.2G57 S61G57-F59 PolarHBondContact O-N 3.19Å; G57-F59 VanDerWaalsContact O-N 3.08Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.13Å; F59-S61 VanDerWaalsContact O-N 3.13Å
60G72.1Confident88.9Confident27 Ų2729.9 Ų29.928%0.27815%0.151SC..SBendtrans80.2-10.6166.800000117.4R56 G57 K58R56-G60 PolarHBondContact NE-O 3.48Å; R56-G60 VanDerWaalsContact NH2-CA 3.31Å; R56-G60 PolarHBondContact NH2-O 2.86Å; R56-G60 VanDerWaalsContact NH2-O 3.09Å; G57-G60 PolarHBondContact O-N 3.02Å; K58-G60 PolarHBondContact O-N 3.32Å
61S79.6Confident88.4Confident54 Ų5431.2 Ų31.238%0.37816%0.157SC..  trans-70.9135.2174.265.80000111.9R56 G57 F59 K63R56-S61 WeakPolarHBondContact CG-O 3.28Å; G57-S61 PolarHBondContact N-O 3.05Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.13Å; F59-S61 VanDerWaalsContact O-N 3.13Å; S61-K63 WeakPolarHBondContact OG-CE 3.43Å; S61-K63 PolarHBondContact OG-NZ 2.85Å
62F87.4Confident87.1Confident27 Ų2736.4 Ų36.412%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-53152.5160.2179.6-88.2000110.8A54 C64 L65 L115 Y184 K227A54-F62 HydrophobicContact CB-CE2 4.5Å; F62-C64 WeakPolarHBondContact CE2-O 3.43Å; F62-C64 WeakPolarHBondContact CZ-O 3.5Å; F62-L65 HydrophobicContact CE2-CD2 3.87Å; F62-L65 HydrophobicContact CZ-CD2 3.79Å; F62-L65 HydrophobicContact CZ-CG 4.03Å; F62-L115 HydrophobicContact CB-CD2 4.31Å; F62-L115 HydrophobicContact CD2-CD2 4.02Å; F62-Y184 HydrophobicContact CB-CD1 4.4Å; F62-Y184 HydrophobicContact CB-CE1 3.68Å; F62-Y184 AromaticContact CD1-CD1 3.69Å; F62-Y184 HydrophobicContact CD1-CD1 3.69Å; F62-Y184 AromaticContact CD1-CE1 3.85Å; F62-Y184 HydrophobicContact CD1-CE1 3.85Å; F62-Y184 HydrophobicContact CD1-CG 4.46Å; F62-Y184 AromaticContact CD2-CD1 3.54Å; F62-Y184 HydrophobicContact CD2-CD1 3.54Å; F62-Y184 AromaticContact CD2-CD2 3.9Å; F62-Y184 HydrophobicContact CD2-CD2 3.9Å; F62-Y184 AromaticContact CD2-CE1 3.41Å; F62-Y184 HydrophobicContact CD2-CE1 3.41Å; F62-Y184 VanDerWaalsContact CD2-CE1 3.41Å; F62-Y184 AromaticContact CD2-CE2 3.77Å; F62-Y184 HydrophobicContact CD2-CE2 3.77Å; F62-Y184 AromaticContact CD2-CG 3.77Å; F62-Y184 HydrophobicContact CD2-CG 3.77Å; F62-Y184 AromaticContact CD2-CZ 3.5Å; F62-Y184 AromaticContact CE1-CD1 3.72Å; F62-Y184 HydrophobicContact CE1-CD1 3.72Å; F62-Y184 HydrophobicContact CE1-CE1 4.34Å; F62-Y184 HydrophobicContact CE1-CG 4.15Å; F62-Y184 AromaticContact CE2-CD1 3.54Å; F62-Y184 HydrophobicContact CE2-CD1 3.54Å; F62-Y184 AromaticContact CE2-CD2 3.63Å; F62-Y184 HydrophobicContact CE2-CD2 3.63Å; F62-Y184 AromaticContact CE2-CE1 3.93Å; F62-Y184 HydrophobicContact CE2-CE1 3.93Å; F62-Y184 AromaticContact CE2-CE2 3.99Å; F62-Y184 HydrophobicContact CE2-CE2 3.99Å; F62-Y184 AromaticContact CE2-CG 3.37Å; F62-Y184 HydrophobicContact CE2-CG 3.37Å; F62-Y184 AromaticContact CG-CD1 3.61Å; F62-Y184 HydrophobicContact CG-CD1 3.61Å; F62-Y184 AromaticContact CG-CE1 3.36Å; F62-Y184 HydrophobicContact CG-CE1 3.36Å; F62-Y184 HydrophobicContact CG-CG 4.3Å; F62-Y184 AromaticContact CG-CZ 3.85Å; F62-Y184 AromaticContact CZ-CD1 3.63Å; F62-Y184 HydrophobicContact CZ-CD1 3.63Å; F62-Y184 HydrophobicContact CZ-CD2 4.29Å; F62-Y184 HydrophobicContact CZ-CE1 4.36Å; F62-Y184 AromaticContact CZ-CG 3.58Å; F62-Y184 HydrophobicContact CZ-CG 3.58Å; F62-K227 HydrophobicContact CD1-CB 4.45Å; F62-K227 HydrophobicContact CD1-CD 4.24Å; F62-K227 HydrophobicContact CE1-CB 3.85Å; F62-K227 HydrophobicContact CE1-CD 4.47Å; F62-K227 HydrophobicContact CE1-CG 4.46Å
63K88.5Confident85.1Confident70 Ų7039.4 Ų39.430%0.30420%0.2SC..EExtended strand (participates in β ladder)trans-126.6-57174-70-77.5153.4-87.20111.3I55 S61 Y106I55-K63 HydrophobicContact CG2-CB 4.41Å; I55-K63 WeakPolarHBondContact O-CB 3.17Å; I55-K63 PolarHBondContact O-N 2.85Å; S61-K63 WeakPolarHBondContact OG-CE 3.43Å; S61-K63 PolarHBondContact OG-NZ 2.85Å; K63-Y106 HydrophobicContact CD-CE1 4.44Å; K63-Y106 HydrophobicContact CG-CD1 4.42Å; K63-Y106 HydrophobicContact CG-CE1 4.26Å
64C91.9Very high82.6Confident0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-158.6171.6-171.8-76.70000112I55 F62 C91 L229I55-C64 HydrophobicContact CB-CB 4.4Å; I55-C64 HydrophobicContact CD1-CB 4.41Å; I55-C64 PolarHBondContact N-O 3.01Å; I55-C64 PolarHBondContact O-N 3.22Å; F62-C64 WeakPolarHBondContact CE2-O 3.43Å; F62-C64 WeakPolarHBondContact CZ-O 3.5Å; C64-C91 HydrophobicContact CB-CB 3.66Å; C64-C91 WeakPolarHBondContact CB-SG 3.36Å; C64-C91 WeakPolarHBondContact SG-CA 3.29Å; C64-C91 WeakPolarHBondContact SG-CB 3.39Å; C64-C91 CovalentContact SG-SG 2Å; C64-C91 PolarHBondContact SG-SG 3.15Å; C64-L229 VanDerWaalsContact CA-O 3.31Å; C64-L229 WeakPolarHBondContact CA-O 3.27Å; C64-L229 VanDerWaalsContact CB-O 3.25Å; C64-L229 WeakPolarHBondContact CB-O 3.39Å
65L94.2Very high80.1Confident0 Ų055.7 Ų55.70%028%0.278CS..EExtended strand (participates in β ladder)trans-91.3-178.7162.4-57.7179.4000111.5V53 F62 T87 S182 L189 L229 G230V53-L65 CarbonylContact O-C 3.55Å; V53-L65 VanDerWaalsContact O-CA 3.25Å; V53-L65 WeakPolarHBondContact O-CA 3.45Å; F62-L65 HydrophobicContact CE2-CD2 3.87Å; F62-L65 HydrophobicContact CZ-CD2 3.79Å; F62-L65 HydrophobicContact CZ-CG 4.03Å; L65-T87 WeakPolarHBondContact O-CB 3.47Å; L65-T87 PolarHBondContact O-OG1 2.98Å; L65-S182 WeakPolarHBondContact CD1-O 3.41Å; L65-L189 HydrophobicContact CD2-CD2 3.19Å; L65-L229 PolarHBondContact N-O 3.47Å; L65-G230 CarbonylContact C-O 3.54Å
66G95Very high78Confident0 Ų060.2 Ų60.20%031%0.31CS..EExtended strand (participates in β ladder)trans-176.8179.5171.100000110.6T52 V53 L86 G230T52-G66 WeakPolarHBondContact CA-O 3.35Å; V53-G66 PolarHBondContact N-O 2.88Å; V53-G66 PolarHBondContact O-N 3.08Å; G66-L86 CarbonylContact C-O 3.55Å; G66-L86 WeakPolarHBondContact CA-O 3.23Å; G66-G230 WeakPolarHBondContact CA-O 3.33Å; G66-G230 PolarHBondContact N-O 3.19Å
67S96Very high76.4Confident0 Ų068.1 Ų68.10%034%0.34CS..EExtended strand (participates in β ladder)trans-126.7144.2176.748.50000112.3W51 I85 L86 Q243W51-S67 CarbonylContact O-C 3.49Å; W51-S67 VanDerWaalsContact O-CA 3.29Å; W51-S67 WeakPolarHBondContact O-CA 3.38Å; S67-I85 CarbonylContact O-C 3.54Å; S67-I85 VanDerWaalsContact O-CA 3.26Å; S67-I85 WeakPolarHBondContact O-CA 3.24Å; S67-L86 PolarHBondContact N-O 2.85Å; S67-L86 PolarHBondContact O-N 2.93Å; S67-Q243 VanDerWaalsContact OG-CD 3.29Å; S67-Q243 PolarHBondContact OG-NE2 3.02Å; S67-Q243 PolarHBondContact OG-OE1 2.82Å
68I95.4Very high75.1Confident0 Ų070.7 Ų70.70%035%0.349CS..EExtended strand (participates in β ladder)trans-79.2127.2166.8-58.5168.1000108.9W51 V53 I85 A110 F155 F157 V161 P163 V164W51-I68 PolarHBondContact O-N 2.74Å; V53-I68 HydrophobicContact CG1-CD1 3.85Å; V53-I68 HydrophobicContact CG1-CG1 3.63Å; I68-I85 HydrophobicContact CB-CD1 4.4Å; I68-I85 HydrophobicContact CG1-CD1 3.69Å; I68-A110 HydrophobicContact CD1-CB 3.96Å; I68-F155 HydrophobicContact CD1-CD2 3.84Å; I68-F155 HydrophobicContact CG1-CD2 4.13Å; I68-F157 HydrophobicContact CG2-CE1 3.96Å; I68-V161 HydrophobicContact CD1-CG1 3.51Å; I68-P163 HydrophobicContact CG2-CB 4.21Å; I68-P163 WeakPolarHBondContact O-CA 3.12Å; I68-V164 PolarHBondContact O-N 2.68Å
69I92.5Very high74.9Confident8 Ų865.4 Ų65.44%0.04133%0.326CS..  trans-114.5155.4175.363.8161.6000110.6S82 L84 L86 L148 V164 V166 L274I69-S82 VanDerWaalsContact O-CB 3.26Å; I69-S82 WeakPolarHBondContact O-CB 3.21Å; I69-S82 PolarHBondContact O-OG 2.87Å; I69-L84 HydrophobicContact CD1-CB 4.08Å; I69-L84 HydrophobicContact CD1-CD1 4.42Å; I69-L84 HydrophobicContact CG1-CB 3.61Å; I69-L84 PolarHBondContact N-O 2.91Å; I69-L86 HydrophobicContact CD1-CD1 4.3Å; I69-L86 HydrophobicContact CD1-CD2 4.39Å; I69-L86 HydrophobicContact CD1-CG 3.99Å; I69-L86 HydrophobicContact CG1-CG 4.43Å; I69-L86 HydrophobicContact CG2-CB 4.45Å; I69-L86 HydrophobicContact CG2-CD1 3.73Å; I69-L86 HydrophobicContact CG2-CG 3.87Å; I69-L148 HydrophobicContact CD1-CD1 4.04Å; I69-V164 HydrophobicContact CG2-CG1 4.34Å; I69-V166 HydrophobicContact CB-CG2 3.87Å; I69-V166 HydrophobicContact CG2-CG2 3.46Å; I69-V166 VanDerWaalsContact CG2-CG2 3.46Å; I69-L274 HydrophobicContact CD1-CD2 4.14Å
70P88.2Confident75.5Confident31 Ų3160.8 Ų60.820%0.20131%0.311CS..  trans-63.8144.1179.725.4-34.8000112.7C27 V164C27-P70 HydrophobicContact CB-CG 4.34Å; P70-V164 VanDerWaalsContact CD-O 3.25Å; P70-V164 WeakPolarHBondContact CD-O 3.39Å
71E81.2Confident76.4Confident31 Ų3160.6 Ų60.615%0.14531%0.305CS..  trans-105.292.1172.5-170.3-169.2123.300109.1K79 R83 L84E71-K79 VanDerWaalsContact OE1-CE 3.3Å; E71-K79 WeakPolarHBondContact OE1-CE 3.4Å; E71-K79 IonicContact OE1-NZ 3.83Å; E71-K79 PolarHBondContact OE1-NZ 3.31Å; E71-R83 VanDerWaalsContact CD-NH1 3.33Å; E71-R83 IonicContact OE1-NH1 3.81Å; E71-R83 PolarHBondContact OE1-NH1 3.28Å; E71-R83 VanDerWaalsContact OE2-CB 3.3Å; E71-R83 WeakPolarHBondContact OE2-CB 3.16Å; E71-R83 VanDerWaalsContact OE2-CG 3.3Å; E71-R83 WeakPolarHBondContact OE2-CG 3.39Å; E71-R83 PolarHBondContact OE2-N 3.04Å; E71-R83 IonicContact OE2-NH1 3.77Å; E71-R83 PolarHBondContact OE2-NH1 3.24Å; E71-R83 VanDerWaalsContact OE2-NH1 3.1Å; E71-L84 HydrophobicContact CB-CD1 4.18Å; E71-L84 HydrophobicContact CB-CG 4.36Å; E71-L84 HydrophobicContact CG-CD1 4.14Å; E71-L84 HydrophobicContact CG-CG 4.31Å
72N66.4Low77Confident109 Ų10958 Ų5858%0.58329%0.287SS*.BIsolated β-bridgetrans-65.3134.9178.9-64.54.1000111.1
73D51.3Low77.3Confident67 Ų6760.7 Ų60.736%0.35830%0.296SS..  trans-82.9163.4166.9-89.8-45.7000112.8N75 S76 R77 K79D73-N75 PolarHBondContact O-N 3.23Å; D73-N75 VanDerWaalsContact O-N 3.13Å; D73-S76 PolarHBondContact O-N 2.89Å; D73-R77 PolarHBondContact N-O 3.17Å; D73-K79 VanDerWaalsContact OD1-CE 3.29Å; D73-K79 WeakPolarHBondContact OD1-CE 3.35Å; D73-K79 IonicContact OD1-NZ 3.64Å; D73-K79 PolarHBondContact OD1-NZ 2.88Å; D73-K79 WeakPolarHBondContact OD2-CE 3.41Å; D73-K79 VanDerWaalsContact OD2-CG 3.22Å; D73-K79 WeakPolarHBondContact OD2-CG 3.35Å; D73-K79 IonicContact OD2-NZ 3.61Å; D73-K79 PolarHBondContact OD2-NZ 2.96Å; D73-K79 VanDerWaalsContact OD2-NZ 3.12Å
74F42.5Very low77.5Confident207 Ų20759 Ų5991%0.90829%0.29SS*.THydrogen-bonded Turntrans-54.6-28.8177-76.9-90.7000113.6
75N41.4Very low77.7Confident136 Ų13659 Ų5973%0.72729%0.29SS*.THydrogen-bonded Turntrans-98.126-179.9-61.411.9000112.2D73 R77D73-N75 PolarHBondContact O-N 3.23Å; D73-N75 VanDerWaalsContact O-N 3.13Å; N75-R77 PolarHBondContact O-N 3.09Å
76S49.4Very low77.7Confident95 Ų9559.1 Ų59.166%0.66429%0.291SS*.SBendtrans57.8-0.7-179.2-59.20000117.1D73D73-S76 PolarHBondContact O-N 2.89Å
77R54.1Low77.8Confident199 Ų19959.1 Ų59.175%0.75129%0.291SS*.PPolyproline II helixtrans-67.8138.7174.7-64.3-174.2-178.7-172.1-0.6110.4D73 N75D73-R77 PolarHBondContact N-O 3.17Å; N75-R77 PolarHBondContact O-N 3.09Å
78H59.3Low77.6Confident64 Ų6459.1 Ų59.130%0.29629%0.291SS..BIsolated β-bridgetrans-80.8133.3172.7-62.8-55.6000110.4S25S25-H78 WeakPolarHBondContact CA-NE2 3.22Å
79K73.4Confident77.4Confident46 Ų4659.1 Ų59.120%0.229%0.291CS..PPolyproline II helixtrans-76.9141.2168.1-66.5-170.5-17985.50110.1E71 D73 S81 F157E71-K79 VanDerWaalsContact OE1-CE 3.3Å; E71-K79 WeakPolarHBondContact OE1-CE 3.4Å; E71-K79 IonicContact OE1-NZ 3.83Å; E71-K79 PolarHBondContact OE1-NZ 3.31Å; D73-K79 VanDerWaalsContact OD1-CE 3.29Å; D73-K79 WeakPolarHBondContact OD1-CE 3.35Å; D73-K79 IonicContact OD1-NZ 3.64Å; D73-K79 PolarHBondContact OD1-NZ 2.88Å; D73-K79 WeakPolarHBondContact OD2-CE 3.41Å; D73-K79 VanDerWaalsContact OD2-CG 3.22Å; D73-K79 WeakPolarHBondContact OD2-CG 3.35Å; D73-K79 IonicContact OD2-NZ 3.61Å; D73-K79 PolarHBondContact OD2-NZ 2.96Å; D73-K79 VanDerWaalsContact OD2-NZ 3.12Å; K79-S81 WeakPolarHBondContact CB-O 3.29Å; K79-S81 PolarHBondContact O-N 2.98Å; K79-F157 WeakPolarHBondContact O-CE2 3.44Å
80N86.5Confident77.3Confident106 Ų10659.2 Ų59.257%0.56729%0.292SS*.SBendtrans-73.227.4166.5-66.9-7.7000112.7F157N80-F157 VanDerWaalsContact C-CD2 3.43Å; N80-F157 PolarHBondContact O-N 3.49Å
81S90Very high77.4Confident22 Ų2258 Ų5815%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-165.2155.6-179.6740000110.4K79 F155K79-S81 WeakPolarHBondContact CB-O 3.29Å; K79-S81 PolarHBondContact O-N 2.98Å; S81-F155 CarbonylContact C-O 3.25Å; S81-F155 WeakPolarHBondContact CA-O 3.39Å; S81-F155 WeakPolarHBondContact CB-O 2.94Å
82S92.1Very high77.9Confident0 Ų056.6 Ų56.60%028%0.278CS..EExtended strand (participates in β ladder)trans-140.3142.1175.4177.10000112.9I69 L84 P154 F155I69-S82 VanDerWaalsContact O-CB 3.26Å; I69-S82 WeakPolarHBondContact O-CB 3.21Å; I69-S82 PolarHBondContact O-OG 2.87Å; S82-L84 PolarHBondContact OG-N 3.43Å; S82-P154 CarbonylContact O-C 3.57Å; S82-P154 VanDerWaalsContact O-CA 3.26Å; S82-P154 WeakPolarHBondContact O-CA 3.32Å; S82-P154 WeakPolarHBondContact O-CB 3.27Å; S82-F155 PolarHBondContact N-O 2.92Å; S82-F155 PolarHBondContact O-N 2.88Å
83R93.9Very high78.7Confident84 Ų8452.5 Ų52.532%0.31725%0.254SS..EExtended strand (participates in β ladder)trans-91.3-3.7168.1-59.3177.9-173.581-2.9113.2E71 T150 L151 P154E71-R83 VanDerWaalsContact CD-NH1 3.33Å; E71-R83 IonicContact OE1-NH1 3.81Å; E71-R83 PolarHBondContact OE1-NH1 3.28Å; E71-R83 VanDerWaalsContact OE2-CB 3.3Å; E71-R83 WeakPolarHBondContact OE2-CB 3.16Å; E71-R83 VanDerWaalsContact OE2-CG 3.3Å; E71-R83 WeakPolarHBondContact OE2-CG 3.39Å; E71-R83 PolarHBondContact OE2-N 3.04Å; E71-R83 IonicContact OE2-NH1 3.77Å; E71-R83 PolarHBondContact OE2-NH1 3.24Å; E71-R83 VanDerWaalsContact OE2-NH1 3.1Å; R83-T150 HydrophobicContact CB-CG2 4.2Å; R83-T150 CarbonylContact O-C 3.16Å; R83-T150 WeakPolarHBondContact O-CA 3.43Å; R83-L151 HydrophobicContact CB-CB 4.37Å; R83-L151 PolarHBondContact O-N 3.18Å; R83-P154 HydrophobicContact CG-CB 3.75Å
84L93.6Very high79.6Confident35 Ų3552.7 Ų52.718%0.18325%0.253CS..EExtended strand (participates in β ladder)trans-102.7121.5-164.5-58.7-176.8000112.1I69 E71 S82 L148 T150I69-L84 HydrophobicContact CD1-CB 4.08Å; I69-L84 HydrophobicContact CD1-CD1 4.42Å; I69-L84 HydrophobicContact CG1-CB 3.61Å; I69-L84 PolarHBondContact N-O 2.91Å; E71-L84 HydrophobicContact CB-CD1 4.18Å; E71-L84 HydrophobicContact CB-CG 4.36Å; E71-L84 HydrophobicContact CG-CD1 4.14Å; E71-L84 HydrophobicContact CG-CG 4.31Å; S82-L84 PolarHBondContact OG-N 3.43Å; L84-L148 HydrophobicContact CB-CD1 4.26Å; L84-L148 HydrophobicContact CD2-CD1 4.42Å; L84-T150 HydrophobicContact CD2-CG2 4.46Å
85I95.9Very high80.4Confident0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-122.8128.2177.8-48.9-64.3000109.7V53 S67 I68 V108 L148 V149 L151 F155V53-I85 HydrophobicContact CG1-CD1 4.43Å; V53-I85 HydrophobicContact CG2-CD1 4.35Å; V53-I85 HydrophobicContact CG2-CG2 3.52Å; S67-I85 CarbonylContact O-C 3.54Å; S67-I85 VanDerWaalsContact O-CA 3.26Å; S67-I85 WeakPolarHBondContact O-CA 3.24Å; I68-I85 HydrophobicContact CB-CD1 4.4Å; I68-I85 HydrophobicContact CG1-CD1 3.69Å; I85-V108 HydrophobicContact CG1-CG1 4.38Å; I85-L148 WeakPolarHBondContact O-CA 3.38Å; I85-V149 HydrophobicContact CB-CB 4.14Å; I85-V149 PolarHBondContact N-O 2.89Å; I85-V149 PolarHBondContact O-N 2.8Å; I85-L151 HydrophobicContact CD1-CD1 4.18Å; I85-L151 HydrophobicContact CG1-CD1 4.02Å; I85-L151 HydrophobicContact CG1-CD2 4.46Å; I85-L151 HydrophobicContact CG1-CG 4.17Å; I85-F155 HydrophobicContact CD1-CD2 3.97Å; I85-F155 HydrophobicContact CD1-CE2 3.83Å
86L94.7Very high81.1Confident1 Ų148.6 Ų48.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-91.9141.4167.9-72.5-177000110.9G66 S67 I69 I146 L148 V166 I246 V270 V273 L274G66-L86 CarbonylContact C-O 3.55Å; G66-L86 WeakPolarHBondContact CA-O 3.23Å; S67-L86 PolarHBondContact N-O 2.85Å; S67-L86 PolarHBondContact O-N 2.93Å; I69-L86 HydrophobicContact CD1-CD1 4.3Å; I69-L86 HydrophobicContact CD1-CD2 4.39Å; I69-L86 HydrophobicContact CD1-CG 3.99Å; I69-L86 HydrophobicContact CG1-CG 4.43Å; I69-L86 HydrophobicContact CG2-CB 4.45Å; I69-L86 HydrophobicContact CG2-CD1 3.73Å; I69-L86 HydrophobicContact CG2-CG 3.87Å; L86-I146 HydrophobicContact CD2-CG2 4.44Å; L86-L148 HydrophobicContact CD2-CB 4.3Å; L86-L148 HydrophobicContact CD2-CD1 3.84Å; L86-V166 HydrophobicContact CD1-CG2 4.4Å; L86-I246 HydrophobicContact CB-CD1 3.87Å; L86-V270 HydrophobicContact CD1-CB 4.31Å; L86-V270 HydrophobicContact CD1-CG1 4.03Å; L86-V273 HydrophobicContact CD2-CG1 3.53Å; L86-L274 HydrophobicContact CD2-CD2 4.38Å
87T95.4Very high81.4Confident0 Ų051.5 Ų51.50%024%0.239CC..EExtended strand (participates in β ladder)trans-163.4-178.6178.2-174.10000110.5I55 L65 C91 F92 A147 V149I55-T87 HydrophobicContact CD1-CG2 3.68Å; I55-T87 WeakPolarHBondContact CD1-OG1 3.37Å; L65-T87 WeakPolarHBondContact O-CB 3.47Å; L65-T87 PolarHBondContact O-OG1 2.98Å; T87-C91 PolarHBondContact OG1-SG 2.6Å; T87-F92 HydrophobicContact CG2-CE2 3.53Å; T87-F92 HydrophobicContact CG2-CZ 3.86Å; T87-A147 HydrophobicContact CG2-CB 3.98Å; T87-A147 PolarHBondContact N-O 3.43Å; T87-A147 PolarHBondContact O-N 3Å; T87-A147 VanDerWaalsContact O-O 3.13Å; T87-V149 HydrophobicContact CG2-CG2 4.02Å
88A93.5Very high81.9Confident0 Ų043.4 Ų43.40%021%0.209CC..EExtended strand (participates in β ladder)trans-80.2147.5175.100000111.8S90 C91 L229 I246 L248A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 2.75Å; A88-C91 VanDerWaalsContact O-CB 3.27Å; A88-C91 WeakPolarHBondContact O-CB 3.45Å; A88-C91 PolarHBondContact O-N 2.8Å; A88-C91 PolarHBondContact O-SG 2.9Å; A88-L229 HydrophobicContact CB-CD1 4Å; A88-L229 HydrophobicContact CB-CG 4.37Å; A88-I246 HydrophobicContact CB-CG2 4.41Å; A88-L248 HydrophobicContact CB-CD2 3.5Å
89G90.9Very high82.5Confident0 Ų046 Ų460%022%0.217CC..G310 helixtrans-62.1-34.7173.400000112.9C91 F92 W100 N144 G145G89-C91 PolarHBondContact O-N 2.81Å; G89-F92 PolarHBondContact O-N 2.88Å; G89-W100 WeakPolarHBondContact O-CZ3 3.16Å; G89-N144 WeakPolarHBondContact CA-O 3.37Å; G89-G145 PolarHBondContact N-O 3.33Å
90S89.6Confident83Confident11 Ų1147.3 Ų47.38%0.07722%0.22CC..G310 helixtrans-52.7-28.6178.9-61.30000113.7A88 F92 R93 N141 N144A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 2.75Å; S90-F92 PolarHBondContact O-N 3.14Å; S90-R93 PolarHBondContact O-N 2.98Å; S90-R93 VanDerWaalsContact O-N 3.11Å; S90-N141 PolarHBondContact OG-O 3.04Å; S90-N144 WeakPolarHBondContact OG-CB 3.35Å; S90-N144 PolarHBondContact OG-ND2 3.16Å
91C90.5Very high82.7Confident5 Ų542.7 Ų42.73%0.03420%0.197CC..G310 helixtrans-57.2-30.8177.7-53.40000113.7C64 T87 A88 G89 Y106C64-C91 HydrophobicContact CB-CB 3.66Å; C64-C91 WeakPolarHBondContact CB-SG 3.36Å; C64-C91 WeakPolarHBondContact SG-CA 3.29Å; C64-C91 WeakPolarHBondContact SG-CB 3.39Å; C64-C91 CovalentContact SG-SG 2Å; C64-C91 PolarHBondContact SG-SG 3.15Å; T87-C91 PolarHBondContact OG1-SG 2.6Å; A88-C91 VanDerWaalsContact O-CB 3.27Å; A88-C91 WeakPolarHBondContact O-CB 3.45Å; A88-C91 PolarHBondContact O-N 2.8Å; A88-C91 PolarHBondContact O-SG 2.9Å; G89-C91 PolarHBondContact O-N 2.81Å; C91-Y106 WeakPolarHBondContact O-CE1 3.15Å
92F90.6Very high82.5Confident1 Ų145.4 Ų45.40%0.00421%0.213CC..G310 helixtrans-100.7-6.2-177.9-52.2-65.3000113.1I55 T87 G89 S90 W100 G101 Y106 I130 I132 A147 V149 L287I55-F92 HydrophobicContact CD1-CZ 4.06Å; I55-F92 HydrophobicContact CG2-CE1 4.29Å; T87-F92 HydrophobicContact CG2-CE2 3.53Å; T87-F92 HydrophobicContact CG2-CZ 3.86Å; G89-F92 PolarHBondContact O-N 2.88Å; S90-F92 PolarHBondContact O-N 3.14Å; F92-W100 HydrophobicContact CB-CE3 4.13Å; F92-W100 HydrophobicContact CB-CZ3 4.48Å; F92-W100 CarbonylContact O-C 3.54Å; F92-W100 VanDerWaalsContact O-CA 3.27Å; F92-W100 WeakPolarHBondContact O-CA 3.36Å; F92-G101 PolarHBondContact O-N 3.3Å; F92-Y106 WeakPolarHBondContact CA-OH 3.22Å; F92-Y106 HydrophobicContact CD1-CD1 4.08Å; F92-Y106 AromaticContact CD1-CD2 3.79Å; F92-Y106 HydrophobicContact CD1-CD2 3.79Å; F92-Y106 AromaticContact CD1-CE1 3.95Å; F92-Y106 HydrophobicContact CD1-CE1 3.95Å; F92-Y106 AromaticContact CD1-CE2 3.69Å; F92-Y106 HydrophobicContact CD1-CE2 3.69Å; F92-Y106 HydrophobicContact CD1-CG 4.01Å; F92-Y106 AromaticContact CD1-CZ 3.78Å; F92-Y106 HydrophobicContact CE1-CD1 4.2Å; F92-Y106 HydrophobicContact CE1-CD2 4.17Å; F92-Y106 HydrophobicContact CE1-CE1 4.49Å; F92-Y106 HydrophobicContact CE1-CE2 4.49Å; F92-Y106 HydrophobicContact CE1-CG 4.04Å; F92-Y106 PolarHBondContact O-OH 3.41Å; F92-Y106 VanDerWaalsContact O-OH 3.11Å; F92-I130 HydrophobicContact CD1-CD1 3.55Å; F92-I130 HydrophobicContact CD2-CD1 4.37Å; F92-I130 HydrophobicContact CD2-CG2 3.7Å; F92-I130 HydrophobicContact CE1-CD1 3.76Å; F92-I130 HydrophobicContact CE1-CG1 4.42Å; F92-I130 HydrophobicContact CE2-CG2 3.75Å; F92-I130 HydrophobicContact CG-CD1 3.88Å; F92-I130 HydrophobicContact CG-CG2 4.24Å; F92-I130 HydrophobicContact CZ-CD1 4.27Å; F92-I130 HydrophobicContact CZ-CG1 4.49Å; F92-I130 HydrophobicContact CZ-CG2 4.35Å; F92-I132 HydrophobicContact CB-CD1 4.18Å; F92-I132 HydrophobicContact CD2-CD1 4.16Å; F92-A147 HydrophobicContact CD2-CB 3.91Å; F92-A147 HydrophobicContact CE2-CB 3.68Å; F92-V149 HydrophobicContact CE2-CG2 3.87Å; F92-V149 HydrophobicContact CZ-CG2 3.49Å; F92-V149 VanDerWaalsContact CZ-CG2 3.49Å; F92-L287 HydrophobicContact CB-CD1 4.42Å
93R83.5Confident82.3Confident23 Ų2346 Ų469%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-92.3110.9175.7-174.9170.5172.8151.5-6.5109.9S90 V95 W100 E140 N144S90-R93 PolarHBondContact O-N 2.98Å; S90-R93 VanDerWaalsContact O-N 3.11Å; R93-V95 PolarHBondContact O-N 2.87Å; R93-W100 HydrophobicContact CB-CE3 4.06Å; R93-W100 HydrophobicContact CB-CH2 4.31Å; R93-W100 HydrophobicContact CB-CZ3 3.73Å; R93-E140 IonicContact CZ-OE1 3.98Å; R93-E140 IonicContact NE-OE1 3.13Å; R93-E140 PolarHBondContact NE-OE1 3.35Å; R93-E140 IonicContact NH2-OE1 3.36Å; R93-E140 PolarHBondContact NH2-OE1 3.05Å; R93-N144 WeakPolarHBondContact CD-ND2 3.37Å; R93-N144 WeakPolarHBondContact CD-OD1 3Å; R93-N144 PolarHBondContact NH1-OD1 3.01Å
94H69.8Low82Confident72 Ų7245.2 Ų45.233%0.33322%0.224SC..EExtended strand (participates in β ladder)trans-70.299.8172.3-65.1-88.9000110.3L96 R97 K98 R99H94-L96 PolarHBondContact O-N 3.34Å; H94-R97 HydrophobicContact CB-CB 3.73Å; H94-R97 CarbonylContact O-C 3.52Å; H94-R97 VanDerWaalsContact O-C 3.22Å; H94-R97 VanDerWaalsContact O-CA 3.32Å; H94-R97 WeakPolarHBondContact O-CA 3.28Å; H94-R97 PolarHBondContact O-N 3.36Å; H94-K98 PolarHBondContact O-N 3.25Å; H94-R99 PolarHBondContact N-O 3.03Å
95V60.8Low81.7Confident99 Ų9944.9 Ų44.960%0.623%0.225SC*.G310 helixtrans-43.2-65.5-176.5-176.50000113.1R93 R97 K98R93-V95 PolarHBondContact O-N 2.87Å; V95-R97 PolarHBondContact O-N 2.68Å; V95-K98 PolarHBondContact O-N 3.34Å
96L54.9Low81.5Confident158 Ų15845.3 Ų45.383%0.82723%0.227SC*.G310 helixtrans-55.6-9.4177.5-66174.5000115.3H94H94-L96 PolarHBondContact O-N 3.34Å
97R56.7Low81.4Confident156 Ų15649 Ų4959%0.58924%0.243SC*.G310 helixtrans-130.73.2-168.3-88.1-172.7175-164.40.3112.6H94 V95 R99 K411H94-R97 HydrophobicContact CB-CB 3.73Å; H94-R97 CarbonylContact O-C 3.52Å; H94-R97 VanDerWaalsContact O-C 3.22Å; H94-R97 VanDerWaalsContact O-CA 3.32Å; H94-R97 WeakPolarHBondContact O-CA 3.28Å; H94-R97 PolarHBondContact O-N 3.36Å; V95-R97 PolarHBondContact O-N 2.68Å; R97-R99 PolarHBondContact O-N 3.29Å; R97-K411 WeakPolarHBondContact O-CD 3.27Å; R97-K411 WeakPolarHBondContact O-CE 3.34Å; R97-K411 PolarHBondContact O-NZ 2.62Å
98K63.3Low81.3Confident28 Ų2849 Ų4912%0.12224%0.243CC..THydrogen-bonded Turntrans21.454.1-177.2-62.7-169.1-170.3-103.80114.2H94 V95 E140 R413 E480H94-K98 PolarHBondContact O-N 3.25Å; V95-K98 PolarHBondContact O-N 3.34Å; K98-E140 IonicContact NZ-OE1 2.77Å; K98-E140 PolarHBondContact NZ-OE1 2.91Å; K98-E140 IonicContact NZ-OE2 2.81Å; K98-E140 PolarHBondContact NZ-OE2 2.88Å; K98-R413 PolarHBondContact O-NH1 3.35Å; K98-R413 VanDerWaalsContact O-NH1 3.16Å; K98-E480 WeakPolarHBondContact CD-O 3.41Å; K98-E480 WeakPolarHBondContact CE-O 3.42Å; K98-E480 IonicContact NZ-OE1 3.1Å; K98-E480 PolarHBondContact NZ-OE1 2.97Å; K98-E480 IonicContact NZ-OE2 2.77Å; K98-E480 PolarHBondContact NZ-OE2 2.77Å
99R73.6Confident81.3Confident120 Ų12049.9 Ų49.945%0.45325%0.246SC..EExtended strand (participates in β ladder)trans-143.5147.1175.1-80.5-164.1-155.8162-1.2109H94 R97 K411H94-R99 PolarHBondContact N-O 3.03Å; R97-R99 PolarHBondContact O-N 3.29Å; R99-K411 HydrophobicContact CG-CD 4.21Å; R99-K411 VanDerWaalsContact CG-NZ 3.26Å
100W82Confident81.4Confident73 Ų7349.9 Ų49.928%0.27725%0.246SC..EExtended strand (participates in β ladder)trans-61141.6161.5-52.6116.1000111G89 F92 R93 I132 N144 I285 L287G89-W100 WeakPolarHBondContact O-CZ3 3.16Å; F92-W100 HydrophobicContact CB-CE3 4.13Å; F92-W100 HydrophobicContact CB-CZ3 4.48Å; F92-W100 CarbonylContact O-C 3.54Å; F92-W100 VanDerWaalsContact O-CA 3.27Å; F92-W100 WeakPolarHBondContact O-CA 3.36Å; R93-W100 HydrophobicContact CB-CE3 4.06Å; R93-W100 HydrophobicContact CB-CH2 4.31Å; R93-W100 HydrophobicContact CB-CZ3 3.73Å; W100-I132 HydrophobicContact CD2-CD1 4.43Å; W100-I132 HydrophobicContact CE3-CD1 3.71Å; W100-I132 HydrophobicContact CH2-CD1 4.05Å; W100-I132 HydrophobicContact CZ3-CD1 3.48Å; W100-I132 VanDerWaalsContact CZ3-CD1 3.48Å; W100-N144 HydrophobicContact CH2-CB 4.3Å; W100-I285 HydrophobicContact CH2-CD1 4.39Å; W100-I285 HydrophobicContact CZ2-CD1 3.47Å; W100-I285 VanDerWaalsContact CZ2-CD1 3.47Å; W100-L287 HydrophobicContact CB-CD1 3.9Å; W100-L287 HydrophobicContact CB-CD2 3.71Å; W100-L287 HydrophobicContact CB-CG 4.5Å; W100-L287 HydrophobicContact CE3-CD1 4.48Å; W100-L287 HydrophobicContact CG-CD1 4.29Å; W100-L287 HydrophobicContact CG-CD2 3.99Å
101G81.2Confident81.3Confident8 Ų850 Ų508%0.08225%0.249CC..PPolyproline II helixtrans-80.4163.2163.800000111.2F92F92-G101 PolarHBondContact O-N 3.3Å
102T85.8Confident81.1Confident79 Ų7950.7 Ų50.749%0.48525%0.253SS..PPolyproline II helixtrans-77152.7170.856.80000110.2S104 S105 Y106T102-S104 WeakPolarHBondContact CB-OG 3.44Å; T102-S104 PolarHBondContact O-N 3.23Å; T102-S104 VanDerWaalsContact O-N 3.17Å; T102-S104 PolarHBondContact OG1-OG 3.06Å; T102-S105 PolarHBondContact N-OG 3.28Å; T102-S105 WeakPolarHBondContact O-CB 3.27Å; T102-S105 PolarHBondContact O-N 2.75Å; T102-S105 PolarHBondContact O-OG 3.36Å; T102-Y106 VanDerWaalsContact O-CD2 3.23Å; T102-Y106 WeakPolarHBondContact O-CD2 3.45Å; T102-Y106 WeakPolarHBondContact O-CE2 3.18Å
103P88.5Confident80.5Confident13 Ų1353.8 Ų53.88%0.08427%0.269CS..G310 helixtrans-51.1-40.2173.4-28.836.4000112.6S105 Y106 P127 I130 L287P103-S105 PolarHBondContact O-N 3.44Å; P103-S105 VanDerWaalsContact O-N 3.09Å; P103-Y106 PolarHBondContact O-N 3.22Å; P103-P127 HydrophobicContact CB-CB 3.79Å; P103-P127 WeakPolarHBondContact CB-O 3.33Å; P103-I130 HydrophobicContact CB-CD1 4.33Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.44Å; P103-L287 HydrophobicContact CG-CB 4.2Å; P103-L287 WeakPolarHBondContact CG-O 3.46Å
104S87.7Confident80.4Confident67 Ų6758.9 Ų58.947%0.46929%0.289SS..G310 helixtrans-65.5-3.1175.157.20000116.5T102T102-S104 WeakPolarHBondContact CB-OG 3.44Å; T102-S104 PolarHBondContact O-N 3.23Å; T102-S104 VanDerWaalsContact O-N 3.17Å; T102-S104 PolarHBondContact OG1-OG 3.06Å
105S87.4Confident80.6Confident28 Ų2855.9 Ų55.920%0.19628%0.275CS..G310 helixtrans-98.51.4175.970.40000113.9K58 T102 P103K58-S105 WeakPolarHBondContact CB-O 3.33Å; K58-S105 PolarHBondContact N-O 3.16Å; T102-S105 PolarHBondContact N-OG 3.28Å; T102-S105 WeakPolarHBondContact O-CB 3.27Å; T102-S105 PolarHBondContact O-N 2.75Å; T102-S105 PolarHBondContact O-OG 3.36Å; P103-S105 PolarHBondContact O-N 3.44Å; P103-S105 VanDerWaalsContact O-N 3.09Å
106Y91.7Very high81.1Confident9 Ų957.4 Ų57.44%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-125.3158.4179-55.7-87.2000111.5I55 R56 K63 C91 F92 T102 P103 P127I55-Y106 HydrophobicContact CG2-CD1 4.28Å; R56-Y106 CarbonylContact O-C 3.06Å; R56-Y106 WeakPolarHBondContact O-CA 3.49Å; K63-Y106 HydrophobicContact CD-CE1 4.44Å; K63-Y106 HydrophobicContact CG-CD1 4.42Å; K63-Y106 HydrophobicContact CG-CE1 4.26Å; C91-Y106 WeakPolarHBondContact O-CE1 3.15Å; F92-Y106 WeakPolarHBondContact CA-OH 3.22Å; F92-Y106 HydrophobicContact CD1-CD1 4.08Å; F92-Y106 AromaticContact CD1-CD2 3.79Å; F92-Y106 HydrophobicContact CD1-CD2 3.79Å; F92-Y106 AromaticContact CD1-CE1 3.95Å; F92-Y106 HydrophobicContact CD1-CE1 3.95Å; F92-Y106 AromaticContact CD1-CE2 3.69Å; F92-Y106 HydrophobicContact CD1-CE2 3.69Å; F92-Y106 HydrophobicContact CD1-CG 4.01Å; F92-Y106 AromaticContact CD1-CZ 3.78Å; F92-Y106 HydrophobicContact CE1-CD1 4.2Å; F92-Y106 HydrophobicContact CE1-CD2 4.17Å; F92-Y106 HydrophobicContact CE1-CE1 4.49Å; F92-Y106 HydrophobicContact CE1-CE2 4.49Å; F92-Y106 HydrophobicContact CE1-CG 4.04Å; F92-Y106 PolarHBondContact O-OH 3.41Å; F92-Y106 VanDerWaalsContact O-OH 3.11Å; T102-Y106 VanDerWaalsContact O-CD2 3.23Å; T102-Y106 WeakPolarHBondContact O-CD2 3.45Å; T102-Y106 WeakPolarHBondContact O-CE2 3.18Å; P103-Y106 PolarHBondContact O-N 3.22Å; Y106-P127 WeakPolarHBondContact O-CD 3.36Å
107K92.2Very high81.3Confident78 Ų7855 Ų5534%0.33926%0.257SS..EExtended strand (participates in β ladder)trans-141.9130.3171.1-174.4164.2173.91650109R56 F109 S124R56-K107 PolarHBondContact N-O 3.28Å; R56-K107 PolarHBondContact O-N 2.89Å; K107-F109 HydrophobicContact CB-CE2 3.98Å; K107-F109 HydrophobicContact CB-CZ 4.43Å; K107-F109 HydrophobicContact CD-CE1 4.41Å; K107-F109 HydrophobicContact CD-CE2 4.17Å; K107-F109 HydrophobicContact CD-CZ 3.76Å; K107-F109 HydrophobicContact CG-CD2 4.39Å; K107-F109 HydrophobicContact CG-CE2 3.71Å; K107-F109 HydrophobicContact CG-CZ 3.83Å; K107-S124 WeakPolarHBondContact CE-OG 3.32Å; K107-S124 PolarHBondContact NZ-OG 2.87Å
108V93.8Very high81.3Confident0 Ų056.1 Ų56.10%027%0.266CS..EExtended strand (participates in β ladder)trans-96.9143.5179.1-171.50000108.7V53 I55 I85 S124 G125 P127 L151 F155V53-V108 HydrophobicContact CB-CG1 3.83Å; V53-V108 HydrophobicContact CG1-CG1 4.44Å; V53-V108 HydrophobicContact CG2-CG1 3.79Å; I55-V108 HydrophobicContact CG1-CG2 4.36Å; I85-V108 HydrophobicContact CG1-CG1 4.38Å; V108-S124 CarbonylContact O-C 3.56Å; V108-S124 VanDerWaalsContact O-CA 3.29Å; V108-S124 WeakPolarHBondContact O-CA 3.45Å; V108-G125 PolarHBondContact N-O 3.42Å; V108-G125 PolarHBondContact O-N 3.08Å; V108-P127 HydrophobicContact CG2-CG 4.28Å; V108-L151 HydrophobicContact CB-CD2 4.13Å; V108-L151 HydrophobicContact CG2-CD2 3.85Å; V108-F155 HydrophobicContact CB-CZ 4.18Å; V108-F155 HydrophobicContact CG1-CE2 3.93Å; V108-F155 HydrophobicContact CG1-CZ 3.99Å
109F92.8Very high81.1Confident19 Ų1957.8 Ų57.88%0.08329%0.292CS..EExtended strand (participates in β ladder)trans-130.6137.5178-62-99.9000110.4V53 A54 R56 K107 L112 L115 N120 Q123V53-F109 CarbonylContact C-O 3.59Å; V53-F109 VanDerWaalsContact CA-O 3.31Å; V53-F109 WeakPolarHBondContact CA-O 3.45Å; V53-F109 VanDerWaalsContact CB-O 3.28Å; V53-F109 WeakPolarHBondContact CB-O 3.3Å; A54-F109 PolarHBondContact N-O 3.04Å; A54-F109 PolarHBondContact O-N 2.73Å; R56-F109 HydrophobicContact CB-CD2 4.2Å; R56-F109 HydrophobicContact CB-CE2 3.77Å; R56-F109 HydrophobicContact CG-CE2 4.49Å; K107-F109 HydrophobicContact CB-CE2 3.98Å; K107-F109 HydrophobicContact CB-CZ 4.43Å; K107-F109 HydrophobicContact CD-CE1 4.41Å; K107-F109 HydrophobicContact CD-CE2 4.17Å; K107-F109 HydrophobicContact CD-CZ 3.76Å; K107-F109 HydrophobicContact CG-CD2 4.39Å; K107-F109 HydrophobicContact CG-CE2 3.71Å; K107-F109 HydrophobicContact CG-CZ 3.83Å; F109-L112 HydrophobicContact CB-CD2 3.56Å; F109-L115 HydrophobicContact CD2-CD1 4.22Å; F109-L115 HydrophobicContact CG-CD1 4.37Å; F109-N120 HydrophobicContact CD1-CB 4.27Å; F109-N120 WeakPolarHBondContact CD1-ND2 3.06Å; F109-N120 HydrophobicContact CE1-CB 4.41Å; F109-N120 WeakPolarHBondContact CE1-ND2 3.29Å; F109-Q123 WeakPolarHBondContact CA-O 3.47Å
110A92.5Very high80.5Confident0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-131.8149.1-178.800000111V53 I68 G122 Q123 F155 V161V53-A110 HydrophobicContact CG1-CB 3.67Å; I68-A110 HydrophobicContact CD1-CB 3.96Å; A110-G122 CarbonylContact O-C 3.52Å; A110-G122 VanDerWaalsContact O-CA 3.32Å; A110-G122 WeakPolarHBondContact O-CA 3.17Å; A110-Q123 PolarHBondContact N-O 3.43Å; A110-Q123 PolarHBondContact O-N 3.03Å; A110-F155 HydrophobicContact CB-CD1 4.33Å; A110-F155 HydrophobicContact CB-CD2 3.78Å; A110-F155 HydrophobicContact CB-CE1 4.23Å; A110-F155 HydrophobicContact CB-CE2 3.66Å; A110-F155 HydrophobicContact CB-CG 4.12Å; A110-F155 HydrophobicContact CB-CZ 3.9Å; A110-V161 HydrophobicContact CB-CG1 4.17Å; A110-V161 HydrophobicContact CB-CG2 4.13Å
111G88.3Confident80Confident13 Ų1361.1 Ų61.113%0.13431%0.307CS..SBendtrans68.264.2-17800000113G122 E160G111-G122 WeakPolarHBondContact O-CA 3.43Å; G111-E160 WeakPolarHBondContact CA-O 3.15Å
112L86Confident80Confident20 Ų2061.7 Ų61.711%0.10531%0.313CS..  trans-155.5145.5174.553.8141.5000112.1F109 L115F109-L112 HydrophobicContact CB-CD2 3.56Å; L112-L115 HydrophobicContact CD1-CB 4.37Å; L112-L115 HydrophobicContact CD1-CD1 3.85Å
113D78.8Confident80.3Confident66 Ų6660.3 Ų60.335%0.35330%0.301SS..SBendtrans-78-41173.371.5-44.1000112.4R188 L189D113-R188 WeakPolarHBondContact O-CA 3.25Å; D113-L189 PolarHBondContact O-N 2.72Å; D113-L189 VanDerWaalsContact O-N 3.07Å
114R80.2Confident80.4Confident131 Ų13162.5 Ų62.549%0.49432%0.316SS..BIsolated β-bridgetrans-136.8130.3-168-72168.4-161.4-147.2-1.3111.3R116 K187 R188R114-R116 PolarHBondContact O-N 2.89Å; R114-R116 VanDerWaalsContact O-N 3.08Å; R114-K187 WeakPolarHBondContact CA-O 3.3Å; R114-R188 HydrophobicContact CG-CB 4.17Å
115L74.5Confident80.5Confident8 Ų859.5 Ų59.54%0.04230%0.296CS..  trans-81.689.7176-165.273.1000110.2A54 R56 F62 F109 L112 Y184 K187A54-L115 HydrophobicContact CB-CD1 4.05Å; A54-L115 HydrophobicContact CB-CD2 4.48Å; R56-L115 HydrophobicContact CG-CD2 4.19Å; F62-L115 HydrophobicContact CB-CD2 4.31Å; F62-L115 HydrophobicContact CD2-CD2 4.02Å; F109-L115 HydrophobicContact CD2-CD1 4.22Å; F109-L115 HydrophobicContact CG-CD1 4.37Å; L112-L115 HydrophobicContact CD1-CB 4.37Å; L112-L115 HydrophobicContact CD1-CD1 3.85Å; L115-Y184 HydrophobicContact CB-CE2 4.08Å; L115-K187 PolarHBondContact N-O 3.14Å
116R71.1Confident80.7Confident132 Ų13262.4 Ų62.450%0.49831%0.307SS..  trans-73.8161.6176.4-52.3-176.6-173.9-151.8-0.6110.4R56 R114 F118 N120R56-R116 PolarHBondContact NH1-O 2.79Å; R114-R116 PolarHBondContact O-N 2.89Å; R114-R116 VanDerWaalsContact O-N 3.08Å; R116-F118 VanDerWaalsContact CB-O 3.24Å; R116-F118 WeakPolarHBondContact CB-O 3.47Å; R116-N120 WeakPolarHBondContact CA-OD1 3.34Å; R116-N120 WeakPolarHBondContact CB-OD1 3.24Å; R116-N120 PolarHBondContact N-OD1 3.04Å; R116-N120 PolarHBondContact O-OD1 2.86Å
117L59Low80.8Confident107 Ų10762.1 Ų62.156%0.5631%0.306SS*.SBendtrans-69-42.5176-90.377.1000111.3R56R56-L117 PolarHBondContact NH1-O 3.11Å; R56-L117 PolarHBondContact NH2-O 2.84Å
118F57.2Low80.8Confident179 Ų17964.5 Ų64.579%0.78532%0.316SS*.SBendtrans-131.7159.8178-49.8-81000108.8R116R116-F118 VanDerWaalsContact CB-O 3.24Å; R116-F118 WeakPolarHBondContact CB-O 3.47Å
119G59.3Low80.7Confident64 Ų6464.5 Ų64.566%0.6632%0.316SS*.  trans65.939.3171.700000115.6R121G119-R121 PolarHBondContact O-N 3.33Å
120N61.5Low80.7Confident29 Ų2963.6 Ų63.616%0.15531%0.312CS..  trans-66.2121.5168.8-70-14.8000109.3F109 R116 G122F109-N120 HydrophobicContact CD1-CB 4.27Å; F109-N120 WeakPolarHBondContact CD1-ND2 3.06Å; F109-N120 HydrophobicContact CE1-CB 4.41Å; F109-N120 WeakPolarHBondContact CE1-ND2 3.29Å; R116-N120 WeakPolarHBondContact CA-OD1 3.34Å; R116-N120 WeakPolarHBondContact CB-OD1 3.24Å; R116-N120 PolarHBondContact N-OD1 3.04Å; R116-N120 PolarHBondContact O-OD1 2.86Å; N120-G122 PolarHBondContact O-N 2.82Å
121R69.8Low80.5Confident233 Ų23365.8 Ų65.888%0.87932%0.32SS*.  trans-80.235.9178.7-70.2-172.5169.8-172.9-3.7113.5G119G119-R121 PolarHBondContact O-N 3.33Å
122G81.9Confident80.6Confident21 Ų2165.2 Ų65.222%0.21631%0.314CS..SBendtrans-131.6164.2-175.600000112.7A110 G111 N120A110-G122 CarbonylContact O-C 3.52Å; A110-G122 VanDerWaalsContact O-CA 3.32Å; A110-G122 WeakPolarHBondContact O-CA 3.17Å; G111-G122 WeakPolarHBondContact O-CA 3.43Å; N120-G122 PolarHBondContact O-N 2.82Å
123Q91.3Very high80.5Confident50 Ų5064.9 Ų64.923%0.23431%0.312CS..EExtended strand (participates in β ladder)trans-64.2149.4175-62.1-174.24700110.4F109 A110 F155 V156 V161F109-Q123 WeakPolarHBondContact CA-O 3.47Å; A110-Q123 PolarHBondContact N-O 3.43Å; A110-Q123 PolarHBondContact O-N 3.03Å; Q123-F155 HydrophobicContact CB-CD1 3.65Å; Q123-F155 HydrophobicContact CB-CE1 3.93Å; Q123-V156 PolarHBondContact NE2-O 2.81Å; Q123-V161 HydrophobicContact CG-CG2 4.47Å
124S90.8Very high80.7Confident58 Ų5863.4 Ų63.441%0.40631%0.307SS..EExtended strand (participates in β ladder)trans-143.1131.7-180770000113.7K107 V108K107-S124 WeakPolarHBondContact CE-OG 3.32Å; K107-S124 PolarHBondContact NZ-OG 2.87Å; V108-S124 CarbonylContact O-C 3.56Å; V108-S124 VanDerWaalsContact O-CA 3.29Å; V108-S124 WeakPolarHBondContact O-CA 3.45Å
125G90.9Very high80.5Confident4 Ų457.9 Ų57.94%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-126140.3-170.300000112.3V108V108-G125 PolarHBondContact N-O 3.42Å; V108-G125 PolarHBondContact O-N 3.08Å
126E92.3Very high80.1Confident90 Ų9062.1 Ų62.142%0.42131%0.308SS..  trans-92.6131.8170-70-169.315600110.2K128 L151 R152E126-K128 PolarHBondContact O-N 2.98Å; E126-L151 CarbonylContact O-C 3.37Å; E126-L151 WeakPolarHBondContact O-CA 3.39Å; E126-R152 HydrophobicContact CB-CG 4.36Å; E126-R152 PolarHBondContact O-N 3.2Å; E126-R152 WeakPolarHBondContact OE2-CD 3.48Å; E126-R152 IonicContact OE2-CZ 2.73Å; E126-R152 IonicContact OE2-NE 2.9Å; E126-R152 IonicContact OE2-NH1 2.62Å; E126-R152 PolarHBondContact OE2-NH1 2.86Å
127P93.2Very high79.6Confident2 Ų255.9 Ų55.91%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-59.5124.4169.3-28.639.5000112.6P103 Y106 V108 I130 V149P103-P127 HydrophobicContact CB-CB 3.79Å; P103-P127 WeakPolarHBondContact CB-O 3.33Å; Y106-P127 WeakPolarHBondContact O-CD 3.36Å; V108-P127 HydrophobicContact CG2-CG 4.28Å; P127-I130 HydrophobicContact CB-CG1 4.36Å; P127-V149 HydrophobicContact CB-CG1 3.69Å; P127-V149 HydrophobicContact CG-CG1 3.82Å
128K92.5Very high79.4Confident129 Ų12956.9 Ų56.956%0.56130%0.295SS*.EExtended strand (participates in β ladder)trans-76.5-48165.2-177.8-176.2176.8-176.10109.6E126 T150 R152E126-K128 PolarHBondContact O-N 2.98Å; K128-T150 WeakPolarHBondContact CA-O 3.45Å; K128-T150 WeakPolarHBondContact CB-O 3.25Å; K128-T150 PolarHBondContact N-O 2.89Å; K128-R152 HydrophobicContact CB-CG 3.75Å; K128-R152 HydrophobicContact CG-CG 4.46Å
129G91.1Very high79.8Confident0 Ų050.8 Ų50.80%027%0.271CS..EExtended strand (participates in β ladder)trans-151.2162.6178.800000112T150 L287G129-T150 PolarHBondContact N-O 2.82Å; G129-T150 PolarHBondContact O-N 3.42Å; G129-L287 CarbonylContact C-O 2.99Å; G129-L287 VanDerWaalsContact CA-O 3.22Å; G129-L287 WeakPolarHBondContact CA-O 2.99Å
130I91.9Very high79.9Confident0 Ų050.2 Ų50.20%025%0.251CS..EExtended strand (participates in β ladder)trans-135.8130.4177.2-53.1155.5000107.4F92 P103 P127 I132 A147 L148 V149 E286 L287F92-I130 HydrophobicContact CD1-CD1 3.55Å; F92-I130 HydrophobicContact CD2-CD1 4.37Å; F92-I130 HydrophobicContact CD2-CG2 3.7Å; F92-I130 HydrophobicContact CE1-CD1 3.76Å; F92-I130 HydrophobicContact CE1-CG1 4.42Å; F92-I130 HydrophobicContact CE2-CG2 3.75Å; F92-I130 HydrophobicContact CG-CD1 3.88Å; F92-I130 HydrophobicContact CG-CG2 4.24Å; F92-I130 HydrophobicContact CZ-CD1 4.27Å; F92-I130 HydrophobicContact CZ-CG1 4.49Å; F92-I130 HydrophobicContact CZ-CG2 4.35Å; P103-I130 HydrophobicContact CB-CD1 4.33Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.44Å; P127-I130 HydrophobicContact CB-CG1 4.36Å; I130-I132 HydrophobicContact CG2-CD1 4.12Å; I130-I132 HydrophobicContact CG2-CG1 3.78Å; I130-A147 HydrophobicContact CG2-CB 4.1Å; I130-L148 WeakPolarHBondContact CA-O 3.5Å; I130-V149 HydrophobicContact CG1-CG1 4.11Å; I130-V149 HydrophobicContact CG1-CG2 4.43Å; I130-V149 HydrophobicContact CG2-CG2 4.4Å; I130-E286 CarbonylContact O-C 3.51Å; I130-E286 WeakPolarHBondContact O-CA 3.05Å; I130-L287 HydrophobicContact CB-CB 4.21Å; I130-L287 HydrophobicContact CB-CD1 4.27Å; I130-L287 HydrophobicContact CD1-CD1 4.19Å; I130-L287 PolarHBondContact N-O 3.4Å; I130-L287 PolarHBondContact O-N 3.02Å
131R90Very high80.1Confident46 Ų4651.9 Ų51.917%0.17426%0.26CS..EExtended strand (participates in β ladder)trans-117.6120.2176.2178.2175.2179-1294.5108.2A147 L148 V273 D275 F284 E286R131-A147 WeakPolarHBondContact O-CA 3.24Å; R131-L148 PolarHBondContact N-O 3.31Å; R131-L148 PolarHBondContact O-N 3.06Å; R131-V273 PolarHBondContact NH1-O 2.92Å; R131-D275 PolarHBondContact NH2-O 3.22Å; R131-D275 VanDerWaalsContact NH2-O 3.12Å; R131-F284 HydrophobicContact CG-CB 4.12Å; R131-F284 HydrophobicContact CG-CD1 3.57Å; R131-F284 HydrophobicContact CG-CE1 4.27Å; R131-F284 HydrophobicContact CG-CG 4.08Å; R131-F284 VanDerWaalsContact CZ-CE1 3.49Å; R131-E286 HydrophobicContact CB-CG 4.4Å; R131-E286 HydrophobicContact CG-CG 4.21Å
132I89Confident80.4Confident0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-118.2128.1-172.4-45.3-176.7000109.9F92 W100 I130 N144 I146 A147 F284 I285 L287F92-I132 HydrophobicContact CB-CD1 4.18Å; F92-I132 HydrophobicContact CD2-CD1 4.16Å; W100-I132 HydrophobicContact CD2-CD1 4.43Å; W100-I132 HydrophobicContact CE3-CD1 3.71Å; W100-I132 HydrophobicContact CH2-CD1 4.05Å; W100-I132 HydrophobicContact CZ3-CD1 3.48Å; W100-I132 VanDerWaalsContact CZ3-CD1 3.48Å; I130-I132 HydrophobicContact CG2-CD1 4.12Å; I130-I132 HydrophobicContact CG2-CG1 3.78Å; I132-N144 VanDerWaalsContact CG2-O 3.24Å; I132-N144 WeakPolarHBondContact CG2-O 3.11Å; I132-I146 CarbonylContact C-O 3.59Å; I132-I146 WeakPolarHBondContact CA-O 3.11Å; I132-I146 WeakPolarHBondContact CG2-O 3.32Å; I132-A147 HydrophobicContact CB-CB 4.42Å; I132-A147 HydrophobicContact CD1-CB 4.48Å; I132-A147 HydrophobicContact CG1-CB 3.87Å; I132-A147 HydrophobicContact CG2-CB 4.3Å; I132-F284 CarbonylContact O-C 3.41Å; I132-F284 WeakPolarHBondContact O-CA 3.44Å; I132-I285 HydrophobicContact CB-CB 4.28Å; I132-I285 PolarHBondContact N-O 3.34Å; I132-I285 PolarHBondContact O-N 2.91Å; I132-L287 HydrophobicContact CD1-CD1 4Å
133M85.2Confident80.1Confident13 Ų1342.8 Ų42.86%0.06422%0.219CC..EExtended strand (participates in β ladder)trans-98.7109.6168.1179.363.290.200109.1G145 I146 T272 V273 N280 R283 F284M133-G145 CarbonylContact O-C 3.59Å; M133-G145 VanDerWaalsContact O-CA 3.26Å; M133-G145 WeakPolarHBondContact O-CA 3.44Å; M133-I146 PolarHBondContact N-O 2.76Å; M133-I146 PolarHBondContact O-N 3.11Å; M133-T272 WeakPolarHBondContact CE-O 3.31Å; M133-T272 WeakPolarHBondContact CG-O 3.5Å; M133-V273 HydrophobicContact CB-CB 4.42Å; M133-V273 HydrophobicContact CB-CG2 4.26Å; M133-N280 HydrophobicContact CE-CB 4.14Å; M133-R283 HydrophobicContact CE-CB 4.17Å; M133-R283 HydrophobicContact SD-CB 3.72Å; M133-F284 HydrophobicContact CB-CD1 4.16Å; M133-F284 HydrophobicContact CB-CE1 3.94Å; M133-F284 HydrophobicContact CE-CD1 4.3Å; M133-F284 HydrophobicContact CE-CD2 4.2Å; M133-F284 HydrophobicContact CE-CE1 3.75Å; M133-F284 HydrophobicContact CE-CE2 3.59Å; M133-F284 HydrophobicContact CE-CZ 3.34Å
134P83Confident79.7Confident36 Ų3640.6 Ų40.623%0.23421%0.209CC..  trans-75.8162.3173.233.2-34.6000112.1W143 R283P134-W143 CarbonylContact C-O 3.59Å; P134-W143 VanDerWaalsContact CA-O 3.27Å; P134-W143 WeakPolarHBondContact CA-O 3.32Å; P134-W143 WeakPolarHBondContact CB-O 3.47Å; P134-R283 WeakPolarHBondContact CD-O 3.39Å
135Y76.2Confident79.5Confident15 Ų1537.8 Ų37.86%0.05919%0.19CC..  trans-115.9150.9173-61.8-26.3000111.2A137 I142 W143 I146 T213 L248 F266 G268 H269 T272Y135-A137 PolarHBondContact O-N 2.86Å; Y135-I142 HydrophobicContact CD2-CG2 3.99Å; Y135-I142 WeakPolarHBondContact CD2-O 3.41Å; Y135-W143 PolarHBondContact N-O 2.98Å; Y135-W143 WeakPolarHBondContact O-CA 3.36Å; Y135-I146 WeakPolarHBondContact OH-CD1 3.44Å; Y135-T213 HydrophobicContact CD2-CG2 4.33Å; Y135-T213 HydrophobicContact CG-CG2 4.29Å; Y135-L248 HydrophobicContact CD2-CD1 3.96Å; Y135-L248 HydrophobicContact CE2-CD1 3.64Å; Y135-F266 HydrophobicContact CD2-CE1 4.48Å; Y135-F266 HydrophobicContact CE2-CE1 4.27Å; Y135-G268 VanDerWaalsContact OH-CA 3.26Å; Y135-G268 WeakPolarHBondContact OH-CA 3.4Å; Y135-H269 PolarHBondContact OH-N 2.94Å; Y135-T272 HydrophobicContact CE1-CG2 4.07Å; Y135-T272 PolarHBondContact OH-OG1 2.96Å
136N64.3Low79.5Confident96 Ų9637.6 Ų37.651%0.51319%0.188SC..  trans-86.692.5169.7-68.2-1.2000108.4
137A60.9Low79.5Confident1 Ų133.3 Ų33.31%0.00817%0.168CC..  trans-153.3139.5-179.600000112.2Y135 N139 I142 E209 L210Y135-A137 PolarHBondContact O-N 2.86Å; A137-N139 PolarHBondContact O-N 2.82Å; A137-I142 HydrophobicContact CB-CB 4.19Å; A137-I142 HydrophobicContact CB-CG2 3.63Å; A137-E209 WeakPolarHBondContact CA-OE2 3.41Å; A137-L210 HydrophobicContact CB-CD2 4.45Å
138V55.5Low79.6Confident129 Ų12934.2 Ų34.278%0.78217%0.172SC*.SBendtrans-44.7-33.7-176.3-162.50000115.8E209V138-E209 WeakPolarHBondContact CG2-OE2 3.45Å; V138-E209 PolarHBondContact N-OE2 2.87Å
139N65.5Low79.7Confident51 Ų5128 Ų2827%0.27315%0.145SC..SBendtrans-89.4123.6-171178.4-18.8000112.2A137 N141 I142 W143 S249A137-N139 PolarHBondContact O-N 2.82Å; N139-N141 PolarHBondContact O-N 3.17Å; N139-N141 WeakPolarHBondContact OD1-CB 3.24Å; N139-N141 PolarHBondContact OD1-N 3.37Å; N139-I142 HydrophobicContact CB-CB 4.26Å; N139-I142 HydrophobicContact CB-CD1 4.08Å; N139-I142 HydrophobicContact CB-CG1 4.09Å; N139-I142 PolarHBondContact O-N 2.85Å; N139-W143 WeakPolarHBondContact O-CB 3.48Å; N139-W143 PolarHBondContact O-N 3.1Å; N139-S249 PolarHBondContact ND2-OG 2.79Å
140E61.7Low79.8Confident52 Ų5229.8 Ų29.824%0.24316%0.156CC..Hα-helixtrans-49.8-30.8178.8-97.6-147.6113.100114.4R93 K98 N144R93-E140 IonicContact CZ-OE1 3.98Å; R93-E140 IonicContact NE-OE1 3.13Å; R93-E140 PolarHBondContact NE-OE1 3.35Å; R93-E140 IonicContact NH2-OE1 3.36Å; R93-E140 PolarHBondContact NH2-OE1 3.05Å; K98-E140 IonicContact NZ-OE1 2.77Å; K98-E140 PolarHBondContact NZ-OE1 2.91Å; K98-E140 IonicContact NZ-OE2 2.81Å; K98-E140 PolarHBondContact NZ-OE2 2.88Å; E140-N144 PolarHBondContact O-ND2 2.91Å
141N65.1Low80Confident63 Ų6329.8 Ų29.834%0.33716%0.156SC..Hα-helixtrans-77.3-40.9179.2-71.8-24.1000112.4S90 N139 L248S90-N141 PolarHBondContact OG-O 3.04Å; N139-N141 PolarHBondContact O-N 3.17Å; N139-N141 WeakPolarHBondContact OD1-CB 3.24Å; N139-N141 PolarHBondContact OD1-N 3.37Å; N141-L248 WeakPolarHBondContact CB-O 3.32Å
142I76.4Confident80.1Confident1 Ų134.6 Ų34.61%0.00517%0.174CC..Hα-helixtrans-73.2-38.3177.8-58.5179.7000109.9Y135 A137 N139 N144 G145 L210 L248 L251 F266Y135-I142 HydrophobicContact CD2-CG2 3.99Å; Y135-I142 WeakPolarHBondContact CD2-O 3.41Å; A137-I142 HydrophobicContact CB-CB 4.19Å; A137-I142 HydrophobicContact CB-CG2 3.63Å; N139-I142 HydrophobicContact CB-CB 4.26Å; N139-I142 HydrophobicContact CB-CD1 4.08Å; N139-I142 HydrophobicContact CB-CG1 4.09Å; N139-I142 PolarHBondContact O-N 2.85Å; I142-N144 PolarHBondContact O-N 2.85Å; I142-N144 VanDerWaalsContact O-N 3.1Å; I142-G145 WeakPolarHBondContact O-CA 3.36Å; I142-G145 PolarHBondContact O-N 2.93Å; I142-L210 HydrophobicContact CD1-CD2 4Å; I142-L248 HydrophobicContact CG1-CB 4.41Å; I142-L248 HydrophobicContact CG2-CD1 4.48Å; I142-L251 HydrophobicContact CD1-CD2 3.76Å; I142-F266 HydrophobicContact CD1-CB 4.17Å; I142-F266 HydrophobicContact CD1-CD1 3.91Å; I142-F266 HydrophobicContact CD1-CD2 4.26Å; I142-F266 HydrophobicContact CD1-CE1 4.44Å; I142-F266 HydrophobicContact CD1-CG 3.83Å; I142-F266 HydrophobicContact CG1-CD1 4Å; I142-F266 HydrophobicContact CG1-CE1 4.42Å; I142-F266 HydrophobicContact CG1-CG 4.42Å; I142-F266 HydrophobicContact CG2-CD1 4.12Å; I142-F266 HydrophobicContact CG2-CE1 3.67Å; I142-F266 HydrophobicContact CG2-CZ 3.99Å
143W74.8Confident80.3Confident62 Ų6242.4 Ų42.424%0.23521%0.208CC..Hα-helixtrans-49.6-37.9177.6-176.8-68.3000113.4P134 Y135 N139 G145P134-W143 CarbonylContact C-O 3.59Å; P134-W143 VanDerWaalsContact CA-O 3.27Å; P134-W143 WeakPolarHBondContact CA-O 3.32Å; P134-W143 WeakPolarHBondContact CB-O 3.47Å; Y135-W143 PolarHBondContact N-O 2.98Å; Y135-W143 WeakPolarHBondContact O-CA 3.36Å; N139-W143 WeakPolarHBondContact O-CB 3.48Å; N139-W143 PolarHBondContact O-N 3.1Å; W143-G145 PolarHBondContact O-N 3.11Å
144N82.7Confident80.6Confident4 Ų443.6 Ų43.62%0.02122%0.217CC..THydrogen-bonded Turntrans-76.2-9.9-178.8-53.8-53.7000113.5G89 S90 R93 W100 I132 E140 I142G89-N144 WeakPolarHBondContact CA-O 3.37Å; S90-N144 WeakPolarHBondContact OG-CB 3.35Å; S90-N144 PolarHBondContact OG-ND2 3.16Å; R93-N144 WeakPolarHBondContact CD-ND2 3.37Å; R93-N144 WeakPolarHBondContact CD-OD1 3Å; R93-N144 PolarHBondContact NH1-OD1 3.01Å; W100-N144 HydrophobicContact CH2-CB 4.3Å; I132-N144 VanDerWaalsContact CG2-O 3.24Å; I132-N144 WeakPolarHBondContact CG2-O 3.11Å; E140-N144 PolarHBondContact O-ND2 2.91Å; I142-N144 PolarHBondContact O-N 2.85Å; I142-N144 VanDerWaalsContact O-N 3.1Å
145G87.2Confident81.1Confident0 Ų042 Ų420%021%0.206CC..  trans50.7-135.7178.200000113.6G89 M133 I142 W143 L248G89-G145 PolarHBondContact N-O 3.33Å; M133-G145 CarbonylContact O-C 3.59Å; M133-G145 VanDerWaalsContact O-CA 3.26Å; M133-G145 WeakPolarHBondContact O-CA 3.44Å; I142-G145 WeakPolarHBondContact O-CA 3.36Å; I142-G145 PolarHBondContact O-N 2.93Å; W143-G145 PolarHBondContact O-N 3.11Å; G145-L248 WeakPolarHBondContact O-CD2 3.4Å
146I91.4Very high81.9Confident0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-107.2144.9-173-64.5-178.1000111.1L86 I132 M133 Y135 I246 G268 H269 V273L86-I146 HydrophobicContact CD2-CG2 4.44Å; I132-I146 CarbonylContact C-O 3.59Å; I132-I146 WeakPolarHBondContact CA-O 3.11Å; I132-I146 WeakPolarHBondContact CG2-O 3.32Å; M133-I146 PolarHBondContact N-O 2.76Å; M133-I146 PolarHBondContact O-N 3.11Å; Y135-I146 WeakPolarHBondContact OH-CD1 3.44Å; I146-I246 HydrophobicContact CB-CD1 4.33Å; I146-I246 HydrophobicContact CD1-CD1 3.97Å; I146-I246 HydrophobicContact CD1-CG1 4.37Å; I146-I246 HydrophobicContact CG1-CD1 4.02Å; I146-I246 HydrophobicContact CG2-CD1 3.52Å; I146-G268 WeakPolarHBondContact CD1-O 3.45Å; I146-H269 VanDerWaalsContact CD1-O 3.28Å; I146-H269 WeakPolarHBondContact CD1-O 3.19Å; I146-V273 HydrophobicContact CB-CB 4.07Å; I146-V273 HydrophobicContact CB-CG1 4.43Å; I146-V273 HydrophobicContact CG2-CB 3.57Å; I146-V273 HydrophobicContact CG2-CG1 3.44Å; I146-V273 VanDerWaalsContact CG2-CG1 3.44Å; I146-V273 HydrophobicContact CG2-CG2 4.1Å
147A92.8Very high83.2Confident0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-117.6137.4169.500000112.5T87 F92 I130 R131 I132T87-A147 HydrophobicContact CG2-CB 3.98Å; T87-A147 PolarHBondContact N-O 3.43Å; T87-A147 PolarHBondContact O-N 3Å; T87-A147 VanDerWaalsContact O-O 3.13Å; F92-A147 HydrophobicContact CD2-CB 3.91Å; F92-A147 HydrophobicContact CE2-CB 3.68Å; I130-A147 HydrophobicContact CG2-CB 4.1Å; R131-A147 WeakPolarHBondContact O-CA 3.24Å; I132-A147 HydrophobicContact CB-CB 4.42Å; I132-A147 HydrophobicContact CD1-CB 4.48Å; I132-A147 HydrophobicContact CG1-CB 3.87Å; I132-A147 HydrophobicContact CG2-CB 4.3Å
148L93.8Very high84.6Confident20 Ų2044.1 Ų44.111%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-102.3121.9163.6177.766.6000108.4I69 L84 I85 L86 I130 R131 V273 L274I69-L148 HydrophobicContact CD1-CD1 4.04Å; L84-L148 HydrophobicContact CB-CD1 4.26Å; L84-L148 HydrophobicContact CD2-CD1 4.42Å; I85-L148 WeakPolarHBondContact O-CA 3.38Å; L86-L148 HydrophobicContact CD2-CB 4.3Å; L86-L148 HydrophobicContact CD2-CD1 3.84Å; I130-L148 WeakPolarHBondContact CA-O 3.5Å; R131-L148 PolarHBondContact N-O 3.31Å; R131-L148 PolarHBondContact O-N 3.06Å; L148-V273 HydrophobicContact CB-CG1 4.31Å; L148-V273 HydrophobicContact CB-CG2 4.02Å; L148-L274 HydrophobicContact CD2-CD2 4.39Å
149V94.8Very high86.2Confident0 Ų043.8 Ų43.80%021%0.208CC..EExtended strand (participates in β ladder)trans-100.7134.7175-169.50000109.2I85 T87 F92 P127 I130 L151I85-V149 HydrophobicContact CB-CB 4.14Å; I85-V149 PolarHBondContact N-O 2.89Å; I85-V149 PolarHBondContact O-N 2.8Å; T87-V149 HydrophobicContact CG2-CG2 4.02Å; F92-V149 HydrophobicContact CE2-CG2 3.87Å; F92-V149 HydrophobicContact CZ-CG2 3.49Å; F92-V149 VanDerWaalsContact CZ-CG2 3.49Å; P127-V149 HydrophobicContact CB-CG1 3.69Å; P127-V149 HydrophobicContact CG-CG1 3.82Å; I130-V149 HydrophobicContact CG1-CG1 4.11Å; I130-V149 HydrophobicContact CG1-CG2 4.43Å; I130-V149 HydrophobicContact CG2-CG2 4.4Å; V149-L151 HydrophobicContact CG1-CD2 4.35Å
150T94.5Very high87.3Confident36 Ų3645.2 Ų45.222%0.22121%0.213CC..EExtended strand (participates in β ladder)trans-106.3118.4168.5-48.50000109.1R83 L84 K128 G129R83-T150 HydrophobicContact CB-CG2 4.2Å; R83-T150 CarbonylContact O-C 3.16Å; R83-T150 WeakPolarHBondContact O-CA 3.43Å; L84-T150 HydrophobicContact CD2-CG2 4.46Å; K128-T150 WeakPolarHBondContact CA-O 3.45Å; K128-T150 WeakPolarHBondContact CB-O 3.25Å; K128-T150 PolarHBondContact N-O 2.89Å; G129-T150 PolarHBondContact N-O 2.82Å; G129-T150 PolarHBondContact O-N 3.42Å
151L94.8Very high88.7Confident0 Ų042.8 Ų42.80%020%0.202CC..EExtended strand (participates in β ladder)trans-77.9154.9177.8-58.7176.4000112.4R83 I85 V108 E126 V149 K153 F155R83-L151 HydrophobicContact CB-CB 4.37Å; R83-L151 PolarHBondContact O-N 3.18Å; I85-L151 HydrophobicContact CD1-CD1 4.18Å; I85-L151 HydrophobicContact CG1-CD1 4.02Å; I85-L151 HydrophobicContact CG1-CD2 4.46Å; I85-L151 HydrophobicContact CG1-CG 4.17Å; V108-L151 HydrophobicContact CB-CD2 4.13Å; V108-L151 HydrophobicContact CG2-CD2 3.85Å; E126-L151 CarbonylContact O-C 3.37Å; E126-L151 WeakPolarHBondContact O-CA 3.39Å; V149-L151 HydrophobicContact CG1-CD2 4.35Å; L151-K153 WeakPolarHBondContact CB-O 3.34Å; L151-F155 HydrophobicContact CD1-CD1 4.45Å; L151-F155 HydrophobicContact CD1-CD2 3.78Å; L151-F155 HydrophobicContact CD1-CE1 4.25Å; L151-F155 HydrophobicContact CD1-CE2 3.55Å; L151-F155 HydrophobicContact CD1-CG 4.23Å; L151-F155 HydrophobicContact CD1-CZ 3.81Å
152R92.5Very high90Very high147 Ų14739.9 Ų39.956%0.55519%0.186SC*.EExtended strand (participates in β ladder)trans-69.2-44.5174.5-73177.9165.4-167.7-15.8112.3E126 K128E126-R152 HydrophobicContact CB-CG 4.36Å; E126-R152 PolarHBondContact O-N 3.2Å; E126-R152 WeakPolarHBondContact OE2-CD 3.48Å; E126-R152 IonicContact OE2-CZ 2.73Å; E126-R152 IonicContact OE2-NE 2.9Å; E126-R152 IonicContact OE2-NH1 2.62Å; E126-R152 PolarHBondContact OE2-NH1 2.86Å; K128-R152 HydrophobicContact CB-CG 3.75Å; K128-R152 HydrophobicContact CG-CG 4.46Å
153K92.3Very high90.8Very high165 Ų16539.9 Ų39.972%0.71719%0.187SC*.EExtended strand (participates in β ladder)trans-114.5141170.3-63.5-172.3177.4-1710107.8L151L151-K153 WeakPolarHBondContact CB-O 3.34Å
154P92.8Very high91.7Very high38 Ų3837 Ų3725%0.24718%0.176CC..EExtended strand (participates in β ladder)trans-68.6158.6174.331.4-35.4000111S82 R83S82-P154 CarbonylContact O-C 3.57Å; S82-P154 VanDerWaalsContact O-CA 3.26Å; S82-P154 WeakPolarHBondContact O-CA 3.32Å; S82-P154 WeakPolarHBondContact O-CB 3.27Å; R83-P154 HydrophobicContact CG-CB 3.75Å
155F93.7Very high92.1Very high3 Ų336.9 Ų36.91%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-81.1130.8157.6-65.7-42.5000109V53 I68 S81 S82 I85 V108 A110 Q123 L151 V161V53-F155 HydrophobicContact CG1-CE2 4.21Å; I68-F155 HydrophobicContact CD1-CD2 3.84Å; I68-F155 HydrophobicContact CG1-CD2 4.13Å; S81-F155 CarbonylContact C-O 3.25Å; S81-F155 WeakPolarHBondContact CA-O 3.39Å; S81-F155 WeakPolarHBondContact CB-O 2.94Å; S82-F155 PolarHBondContact N-O 2.92Å; S82-F155 PolarHBondContact O-N 2.88Å; I85-F155 HydrophobicContact CD1-CD2 3.97Å; I85-F155 HydrophobicContact CD1-CE2 3.83Å; V108-F155 HydrophobicContact CB-CZ 4.18Å; V108-F155 HydrophobicContact CG1-CE2 3.93Å; V108-F155 HydrophobicContact CG1-CZ 3.99Å; A110-F155 HydrophobicContact CB-CD1 4.33Å; A110-F155 HydrophobicContact CB-CD2 3.78Å; A110-F155 HydrophobicContact CB-CE1 4.23Å; A110-F155 HydrophobicContact CB-CE2 3.66Å; A110-F155 HydrophobicContact CB-CG 4.12Å; A110-F155 HydrophobicContact CB-CZ 3.9Å; Q123-F155 HydrophobicContact CB-CD1 3.65Å; Q123-F155 HydrophobicContact CB-CE1 3.93Å; L151-F155 HydrophobicContact CD1-CD1 4.45Å; L151-F155 HydrophobicContact CD1-CD2 3.78Å; L151-F155 HydrophobicContact CD1-CE1 4.25Å; L151-F155 HydrophobicContact CD1-CE2 3.55Å; L151-F155 HydrophobicContact CD1-CG 4.23Å; L151-F155 HydrophobicContact CD1-CZ 3.81Å; F155-V161 HydrophobicContact CB-CG1 4.12Å
156V92.1Very high92.2Very high83 Ų8338.7 Ų38.750%0.50319%0.186SC..EExtended strand (participates in β ladder)trans-84.2138.1177-178.70000108.5Q123Q123-V156 PolarHBondContact NE2-O 2.81Å
157F91.6Very high91.5Very high20 Ų2041.8 Ų41.89%0.08820%0.2CC..PPolyproline II helixtrans-78.8135.9-179.1-54.6-28.9000111.4Y33 I68 K79 N80 V161 P163Y33-F157 HydrophobicContact CD1-CB 3.58Å; Y33-F157 HydrophobicContact CD1-CD2 4.32Å; Y33-F157 HydrophobicContact CD1-CG 4.41Å; Y33-F157 HydrophobicContact CE1-CB 3.91Å; Y33-F157 AromaticContact CE1-CD2 3.76Å; Y33-F157 HydrophobicContact CE1-CD2 3.76Å; Y33-F157 HydrophobicContact CE1-CG 4.31Å; Y33-F157 HydrophobicContact CE2-CD2 4.4Å; Y33-F157 HydrophobicContact CG-CB 3.92Å; Y33-F157 AromaticContact CZ-CD2 3.8Å; I68-F157 HydrophobicContact CG2-CE1 3.96Å; K79-F157 WeakPolarHBondContact O-CE2 3.44Å; N80-F157 VanDerWaalsContact C-CD2 3.43Å; N80-F157 PolarHBondContact O-N 3.49Å; F157-V161 CarbonylContact C-O 3.39Å; F157-V161 WeakPolarHBondContact CA-O 3.21Å; F157-P163 HydrophobicContact CD2-CG 4.2Å; F157-P163 HydrophobicContact CE1-CB 4.26Å; F157-P163 HydrophobicContact CE1-CG 4.18Å; F157-P163 HydrophobicContact CE2-CB 4.35Å; F157-P163 HydrophobicContact CE2-CG 3.59Å; F157-P163 HydrophobicContact CZ-CB 3.84Å; F157-P163 HydrophobicContact CZ-CG 3.58Å
158N90.2Very high90.1Very high52 Ų5245.3 Ų45.328%0.27823%0.229SC..BIsolated β-bridgetrans-155.6-173.8179.976.8-7000109.6Y33 E160 V161Y33-N158 CarbonylContact O-C 3.59Å; N158-E160 PolarHBondContact O-N 3.2Å; N158-E160 PolarHBondContact OD1-N 3.1Å; N158-V161 PolarHBondContact N-O 3.04Å; N158-V161 CarbonylContact O-C 3.59Å; N158-V161 PolarHBondContact O-N 2.85Å; N158-V161 VanDerWaalsContact O-N 3.11Å; N158-V161 WeakPolarHBondContact OD1-CB 2.98Å; N158-V161 PolarHBondContact OD1-N 2.97Å
159K89.1Confident88.7Confident122 Ų12249.7 Ų49.753%0.5326%0.256SS..THydrogen-bonded Turntrans-56.2-22.8179.862167.7-167.7166.40116Y33 G34 G35 Y41Y33-K159 PolarHBondContact O-N 3.1Å; G34-K159 WeakPolarHBondContact O-CB 3.44Å; G35-K159 WeakPolarHBondContact CA-O 3.43Å; Y41-K159 PolarHBondContact OH-O 3.09Å
160E88.1Confident87.5Confident82 Ų8253.6 Ų53.638%0.38327%0.272SS..THydrogen-bonded Turntrans-105.7-10.5-177.6-69.7142.5-171.900112.8G111 N158G111-E160 WeakPolarHBondContact CA-O 3.15Å; N158-E160 PolarHBondContact O-N 3.2Å; N158-E160 PolarHBondContact OD1-N 3.1Å
161V91.7Very high86.7Confident1 Ų153.2 Ų53.21%0.00627%0.272CS..BIsolated β-bridgetrans-145.1113.4-168.2-177.10000110.3P50 I68 A110 Q123 F155 F157 N158P50-V161 WeakPolarHBondContact O-CA 3.41Å; I68-V161 HydrophobicContact CD1-CG1 3.51Å; A110-V161 HydrophobicContact CB-CG1 4.17Å; A110-V161 HydrophobicContact CB-CG2 4.13Å; Q123-V161 HydrophobicContact CG-CG2 4.47Å; F155-V161 HydrophobicContact CB-CG1 4.12Å; F157-V161 CarbonylContact C-O 3.39Å; F157-V161 WeakPolarHBondContact CA-O 3.21Å; N158-V161 PolarHBondContact N-O 3.04Å; N158-V161 CarbonylContact O-C 3.59Å; N158-V161 PolarHBondContact O-N 2.85Å; N158-V161 VanDerWaalsContact O-N 3.11Å; N158-V161 WeakPolarHBondContact OD1-CB 2.98Å; N158-V161 PolarHBondContact OD1-N 2.97Å
162S92.5Very high86Confident1 Ų157.2 Ų57.21%0.00729%0.292CS..  trans-149.7160.6177.8690000111.6P50 W51P50-S162 CarbonylContact C-O 3.56Å; P50-S162 WeakPolarHBondContact CG-OG 3.37Å; P50-S162 PolarHBondContact O-N 3.36Å; W51-S162 WeakPolarHBondContact CA-O 3.29Å; W51-S162 WeakPolarHBondContact CB-O 3.37Å; W51-S162 PolarHBondContact N-O 3.07Å
163P93.8Very high85.5Confident2 Ų250.4 Ų50.41%0.01327%0.267CS..PPolyproline II helixtrans-87.2142.2-176.334.1-33.6000112.2C27 G28 Y33 I68 F157C27-P163 HydrophobicContact CB-CG 4.22Å; G28-P163 PolarHBondContact N-O 2.81Å; Y33-P163 HydrophobicContact CE2-CG 4.45Å; I68-P163 HydrophobicContact CG2-CB 4.21Å; I68-P163 WeakPolarHBondContact O-CA 3.12Å; F157-P163 HydrophobicContact CD2-CG 4.2Å; F157-P163 HydrophobicContact CE1-CB 4.26Å; F157-P163 HydrophobicContact CE1-CG 4.18Å; F157-P163 HydrophobicContact CE2-CB 4.35Å; F157-P163 HydrophobicContact CE2-CG 3.59Å; F157-P163 HydrophobicContact CZ-CB 3.84Å; F157-P163 HydrophobicContact CZ-CG 3.58Å
164V93.5Very high84.7Confident0 Ų044.5 Ų44.50%025%0.253CS..PPolyproline II helixtrans-80.6147.116673.90000109.9W51 I68 I69 P70 V234 A241 Q243W51-V164 HydrophobicContact CB-CB 3.95Å; W51-V164 HydrophobicContact CB-CG1 4.44Å; W51-V164 HydrophobicContact CD2-CB 3.7Å; W51-V164 HydrophobicContact CD2-CG2 4.01Å; W51-V164 HydrophobicContact CE3-CB 4.03Å; W51-V164 HydrophobicContact CE3-CG2 4.34Å; W51-V164 HydrophobicContact CG-CB 3.69Å; W51-V164 HydrophobicContact CG-CG1 4.42Å; W51-V164 HydrophobicContact CG-CG2 4.34Å; W51-V164 HydrophobicContact CZ2-CG2 4.4Å; I68-V164 PolarHBondContact O-N 2.68Å; I69-V164 HydrophobicContact CG2-CG1 4.34Å; P70-V164 VanDerWaalsContact CD-O 3.25Å; P70-V164 WeakPolarHBondContact CD-O 3.39Å; V164-V234 HydrophobicContact CG2-CG1 3.86Å; V164-V234 HydrophobicContact CG2-CG2 4.19Å; V164-A241 HydrophobicContact CG2-CB 4.19Å; V164-Q243 HydrophobicContact CG1-CB 3.88Å; V164-Q243 HydrophobicContact CG2-CB 4.25Å
165C91.7Very high83.6Confident3 Ų347.4 Ų47.42%0.0227%0.267CS..EExtended strand (participates in β ladder)trans-71149.8169.1-67.60000110.5C27 R240 A241 Y242 Q243C27-C165 HydrophobicContact CB-CB 4.01Å; C27-C165 WeakPolarHBondContact CB-SG 3.26Å; C27-C165 PolarHBondContact O-SG 2.77Å; C27-C165 WeakPolarHBondContact SG-CA 3.2Å; C27-C165 WeakPolarHBondContact SG-CB 3.39Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 2.75Å; C165-R240 VanDerWaalsContact SG-CD 3.57Å; C165-A241 PolarHBondContact N-O 2.76Å; C165-Y242 HydrophobicContact CB-CD1 3.56Å; C165-Y242 HydrophobicContact CB-CE1 3.75Å; C165-Y242 HydrophobicContact CB-CG 4.2Å; C165-Y242 CarbonylContact O-C 3.36Å; C165-Y242 WeakPolarHBondContact O-CA 3.45Å; C165-Q243 PolarHBondContact O-N 3.1Å
166V87.9Confident82.5Confident37 Ų3754 Ų5422%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-107.4130.4171.3-168.70000108.3I69 L86 V270 L274I69-V166 HydrophobicContact CB-CG2 3.87Å; I69-V166 HydrophobicContact CG2-CG2 3.46Å; I69-V166 VanDerWaalsContact CG2-CG2 3.46Å; L86-V166 HydrophobicContact CD1-CG2 4.4Å; V166-V270 HydrophobicContact CG1-CB 3.84Å; V166-V270 HydrophobicContact CG1-CG1 4.43Å; V166-V270 HydrophobicContact CG1-CG2 3.42Å; V166-V270 VanDerWaalsContact CG1-CG2 3.42Å; V166-L274 HydrophobicContact CB-CD1 4.43Å; V166-L274 HydrophobicContact CG1-CD1 3.75Å
167K76.4Confident81.8Confident65 Ų6551.3 Ų51.328%0.28329%0.293SS..PPolyproline II helixtrans-74158.9179-15471.3176.2-179.60111.1A171 Y242 Q243 F244K167-A171 HydrophobicContact CB-CB 4.23Å; K167-A171 HydrophobicContact CG-CB 3.48Å; K167-A171 VanDerWaalsContact CG-CB 3.48Å; K167-Y242 HydrophobicContact CB-CD1 4.5Å; K167-Y242 HydrophobicContact CD-CD1 3.58Å; K167-Y242 HydrophobicContact CD-CE1 4.05Å; K167-Y242 HydrophobicContact CD-CG 3.97Å; K167-Q243 PolarHBondContact N-O 2.9Å; K167-Q243 VanDerWaalsContact N-O 3.14Å; K167-F244 HydrophobicContact CB-CD1 4.22Å; K167-F244 HydrophobicContact CB-CE1 4.12Å; K167-F244 HydrophobicContact CB-CZ 4.34Å; K167-F244 HydrophobicContact CD-CE1 4.4Å; K167-F244 HydrophobicContact CD-CZ 4.12Å; K167-F244 HydrophobicContact CG-CD1 4.33Å; K167-F244 HydrophobicContact CG-CE1 3.76Å; K167-F244 HydrophobicContact CG-CZ 3.96Å
168A64.3Low81.5Confident74 Ų7456.5 Ų56.561%0.61232%0.315SS*.PPolyproline II helixtrans-63.5171.6-177.900000113.5Y170 A171A168-Y170 PolarHBondContact O-N 3.21Å; A168-A171 WeakPolarHBondContact O-CB 3.18Å; A168-A171 PolarHBondContact O-N 2.74Å; A168-A171 VanDerWaalsContact O-N 3.14Å
169V64.9Low81.5Confident112 Ų11254 Ų5468%0.67930%0.302SS*.THydrogen-bonded Turntrans-59.5116.9-169177.20000112.1A171 A271V169-A171 VanDerWaalsContact C-N 3.26Å; V169-A171 PolarHBondContact O-N 3.11Å; V169-A271 HydrophobicContact CB-CB 4.35Å; V169-A271 HydrophobicContact CG1-CB 4.25Å; V169-A271 HydrophobicContact CG2-CB 4.37Å
170Y68.2Low81.6Confident83 Ų8349.3 Ų49.333%0.32528%0.281SS..THydrogen-bonded Turntrans56.926.2-176.8-53.3-62000116.2A168 K214 H269 T272A168-Y170 PolarHBondContact O-N 3.21Å; Y170-K214 HydrophobicContact CD1-CB 4.07Å; Y170-K214 HydrophobicContact CD1-CD 3.62Å; Y170-K214 HydrophobicContact CD1-CG 4.48Å; Y170-K214 HydrophobicContact CD2-CD 4.25Å; Y170-K214 HydrophobicContact CE1-CB 4.27Å; Y170-K214 HydrophobicContact CE1-CD 3.86Å; Y170-K214 HydrophobicContact CE2-CD 4.48Å; Y170-K214 HydrophobicContact CG-CD 3.85Å; Y170-H269 VanDerWaalsContact CA-CE1 3.45Å; Y170-H269 WeakPolarHBondContact CA-CE1 3.39Å; Y170-H269 WeakPolarHBondContact CA-NE2 2.98Å; Y170-H269 AromaticContact CD1-ND1 3.88Å; Y170-H269 PolarHBondContact N-CE1 2.98Å; Y170-H269 VanDerWaalsContact N-CE1 3.3Å; Y170-T272 HydrophobicContact CE1-CG2 3.88Å
171A79.3Confident81.7Confident28 Ų2845.4 Ų45.423%0.23126%0.263CS..  trans-6913817000000111.6K167 A168 V169 F244 H269K167-A171 HydrophobicContact CB-CB 4.23Å; K167-A171 HydrophobicContact CG-CB 3.48Å; K167-A171 VanDerWaalsContact CG-CB 3.48Å; A168-A171 WeakPolarHBondContact O-CB 3.18Å; A168-A171 PolarHBondContact O-N 2.74Å; A168-A171 VanDerWaalsContact O-N 3.14Å; V169-A171 VanDerWaalsContact C-N 3.26Å; V169-A171 PolarHBondContact O-N 3.11Å; A171-F244 HydrophobicContact CB-CE1 4.5Å; A171-F244 WeakPolarHBondContact O-CD1 3.12Å; A171-H269 PolarHBondContact N-NE2 2.91Å; A171-H269 PolarHBondContact O-NE2 3.26Å
172I79.8Confident81.6Confident83 Ų8345.4 Ų45.443%0.42626%0.263SS..  trans-112.2146-174.8-62.5156.7000108.9V201 F244I172-V201 HydrophobicContact CD1-CG2 3.5Å; I172-V201 HydrophobicContact CG1-CG2 4.02Å; I172-V201 HydrophobicContact CG2-CG2 4.38Å; I172-F244 VanDerWaalsContact C-CE1 3.49Å
173P81.6Confident81.4Confident4 Ų446.2 Ų46.23%0.02627%0.268CS..  trans-62.9138.1170.5-19.132.1000110.8M196 S200 F244P173-M196 HydrophobicContact CG-CE 4.26Å; P173-S200 PolarHBondContact O-OG 3.22Å; P173-F244 HydrophobicContact CG-CB 4.09Å; P173-F244 HydrophobicContact CG-CD1 3.73Å; P173-F244 HydrophobicContact CG-CD2 4.18Å; P173-F244 HydrophobicContact CG-CE1 4.13Å; P173-F244 HydrophobicContact CG-CG 3.75Å
174G75.3Confident81Confident41 Ų4147.3 Ų47.342%0.42327%0.272SS..  trans-71.6147.6167.300000110.1T176 S177G174-T176 PolarHBondContact O-N 3.1Å; G174-S177 PolarHBondContact N-OG 3.34Å; G174-S177 WeakPolarHBondContact O-CB 3.37Å; G174-S177 PolarHBondContact O-N 3.36Å; G174-S177 PolarHBondContact O-OG 3.4Å
175D69.5Low80.3Confident99 Ų9951.9 Ų51.953%0.52929%0.293SS..THydrogen-bonded Turntrans-62.8-16.4-169.7-61.9-36000114.5G199 S200D175-G199 PolarHBondContact OD1-N 2.95Å; D175-G199 VanDerWaalsContact OD1-N 3.1Å; D175-G199 PolarHBondContact OD2-N 3.34Å; D175-S200 PolarHBondContact OD1-OG 2.76Å
176T70.7Confident79.6Confident142 Ų14260.2 Ų60.287%0.87133%0.329SS*.THydrogen-bonded Turntrans-87.1-0.7172.8550000114.6G174G174-T176 PolarHBondContact O-N 3.1Å
177S77.2Confident79Confident27 Ų2764.6 Ų64.619%0.18935%0.345CS..  trans-72.5127.9-175.1-54.10000111.9G174 C179G174-S177 PolarHBondContact N-OG 3.34Å; G174-S177 WeakPolarHBondContact O-CB 3.37Å; G174-S177 PolarHBondContact O-N 3.36Å; G174-S177 PolarHBondContact O-OG 3.4Å; S177-C179 PolarHBondContact O-N 3.11Å
178K87Confident79.3Confident128 Ų12864.1 Ų64.156%0.55734%0.342SS*.  trans-70.1103.5168-67.9-175.9-179.3179.70109.3F180 C235 L236K178-F180 HydrophobicContact CB-CE2 4Å; K178-F180 HydrophobicContact CB-CZ 4.29Å; K178-C235 WeakPolarHBondContact O-CA 3.43Å; K178-L236 HydrophobicContact CB-CD1 4.46Å; K178-L236 PolarHBondContact O-N 3.14Å
179C90.2Very high80.2Confident0 Ų060.8 Ų60.80%031%0.313CS..EExtended strand (participates in β ladder)trans-110.7143.5-177.9-66.40000111.9S177 V194 M196 L233 V234 C235S177-C179 PolarHBondContact O-N 3.11Å; C179-V194 HydrophobicContact CB-CG2 3.7Å; C179-V194 PolarHBondContact O-N 3.07Å; C179-M196 HydrophobicContact CB-SD 3.91Å; C179-L233 HydrophobicContact CB-CD1 4.13Å; C179-V234 CarbonylContact C-O 3.41Å; C179-V234 WeakPolarHBondContact CA-O 3.38Å; C179-C235 HydrophobicContact CB-CB 4.05Å; C179-C235 WeakPolarHBondContact CB-SG 3.27Å; C179-C235 WeakPolarHBondContact SG-CB 3.4Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 2.86Å
180F89.5Confident81Confident24 Ų2457.6 Ų57.611%0.10529%0.293CS..EExtended strand (participates in β ladder)trans-134.7150.5-176.4-55.2-91.1000110.8L42 K178 E192 L193 L233 V234 L236L42-F180 HydrophobicContact CD1-CD2 4.4Å; L42-F180 HydrophobicContact CD1-CE1 4.35Å; L42-F180 HydrophobicContact CD1-CE2 3.68Å; L42-F180 HydrophobicContact CD1-CZ 3.65Å; L42-F180 HydrophobicContact CD2-CD1 3.78Å; L42-F180 HydrophobicContact CD2-CD2 4.12Å; L42-F180 HydrophobicContact CD2-CE1 3.67Å; L42-F180 HydrophobicContact CD2-CE2 4.03Å; L42-F180 HydrophobicContact CD2-CG 4Å; L42-F180 HydrophobicContact CD2-CZ 3.81Å; L42-F180 HydrophobicContact CG-CE1 4.49Å; L42-F180 HydrophobicContact CG-CZ 4.26Å; K178-F180 HydrophobicContact CB-CE2 4Å; K178-F180 HydrophobicContact CB-CZ 4.29Å; F180-E192 CarbonylContact C-O 3.6Å; F180-E192 VanDerWaalsContact CA-O 3.23Å; F180-E192 WeakPolarHBondContact CA-O 3.23Å; F180-L193 HydrophobicContact CD1-CB 4.01Å; F180-L193 HydrophobicContact CD1-CD1 3.96Å; F180-L193 HydrophobicContact CE1-CB 3.92Å; F180-L193 HydrophobicContact CE1-CD1 3.4Å; F180-L193 VanDerWaalsContact CE1-CD1 3.4Å; F180-L193 HydrophobicContact CE1-CG 4.25Å; F180-L193 HydrophobicContact CE2-CD1 4.38Å; F180-L193 HydrophobicContact CZ-CD1 3.64Å; F180-L233 WeakPolarHBondContact O-CA 3.46Å; F180-V234 PolarHBondContact N-O 2.95Å; F180-V234 PolarHBondContact O-N 2.72Å; F180-L236 HydrophobicContact CE2-CD1 4.25Å; F180-L236 HydrophobicContact CE2-CG 4.24Å
181V90.4Very high81.8Confident0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-126.9133.4170.667.20000111E192 V194 P232 Y267V181-E192 HydrophobicContact CG1-CB 4.08Å; V181-E192 PolarHBondContact N-O 3.02Å; V181-E192 PolarHBondContact O-N 2.05Å; V181-V194 HydrophobicContact CB-CG1 4.03Å; V181-V194 HydrophobicContact CG1-CG1 3.53Å; V181-P232 WeakPolarHBondContact CA-O 2.83Å; V181-Y267 HydrophobicContact CB-CE1 4.13Å; V181-Y267 HydrophobicContact CG2-CE1 3.8Å
182S90.1Very high81.9Confident1 Ų156.1 Ų56.11%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-71.6142.6174.6-40.90000111.4T52 L65 E191 P232T52-S182 PolarHBondContact OG1-OG 3.13Å; L65-S182 WeakPolarHBondContact CD1-O 3.41Å; S182-E191 WeakPolarHBondContact CA-OE2 3.49Å; S182-E191 WeakPolarHBondContact CB-OE2 3.3Å; S182-E191 PolarHBondContact N-OE2 3.11Å; S182-E191 PolarHBondContact OG-OE1 2.94Å; S182-E191 PolarHBondContact OG-OE2 3.43Å; S182-P232 WeakPolarHBondContact OG-CD 3.31Å
183T87.7Confident82.2Confident18 Ų1857.6 Ų57.611%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-131.3166.4-177.377.80000111.2D190 E192 S228T183-D190 PolarHBondContact N-O 3.21Å; T183-D190 PolarHBondContact O-N 3.48Å; T183-D190 PolarHBondContact OG1-O 3.41Å; T183-E192 HydrophobicContact CG2-CB 3.73Å; T183-S228 WeakPolarHBondContact CG2-OG 3.28Å
184Y86.2Confident82.4Confident24 Ų2457.7 Ų57.79%0.09429%0.293CS..EExtended strand (participates in β ladder)trans-136.992.5179178.2-105.8000112.5F62 L115 R188 L189 K227F62-Y184 HydrophobicContact CB-CD1 4.4Å; F62-Y184 HydrophobicContact CB-CE1 3.68Å; F62-Y184 AromaticContact CD1-CD1 3.69Å; F62-Y184 HydrophobicContact CD1-CD1 3.69Å; F62-Y184 AromaticContact CD1-CE1 3.85Å; F62-Y184 HydrophobicContact CD1-CE1 3.85Å; F62-Y184 HydrophobicContact CD1-CG 4.46Å; F62-Y184 AromaticContact CD2-CD1 3.54Å; F62-Y184 HydrophobicContact CD2-CD1 3.54Å; F62-Y184 AromaticContact CD2-CD2 3.9Å; F62-Y184 HydrophobicContact CD2-CD2 3.9Å; F62-Y184 AromaticContact CD2-CE1 3.41Å; F62-Y184 HydrophobicContact CD2-CE1 3.41Å; F62-Y184 VanDerWaalsContact CD2-CE1 3.41Å; F62-Y184 AromaticContact CD2-CE2 3.77Å; F62-Y184 HydrophobicContact CD2-CE2 3.77Å; F62-Y184 AromaticContact CD2-CG 3.77Å; F62-Y184 HydrophobicContact CD2-CG 3.77Å; F62-Y184 AromaticContact CD2-CZ 3.5Å; F62-Y184 AromaticContact CE1-CD1 3.72Å; F62-Y184 HydrophobicContact CE1-CD1 3.72Å; F62-Y184 HydrophobicContact CE1-CE1 4.34Å; F62-Y184 HydrophobicContact CE1-CG 4.15Å; F62-Y184 AromaticContact CE2-CD1 3.54Å; F62-Y184 HydrophobicContact CE2-CD1 3.54Å; F62-Y184 AromaticContact CE2-CD2 3.63Å; F62-Y184 HydrophobicContact CE2-CD2 3.63Å; F62-Y184 AromaticContact CE2-CE1 3.93Å; F62-Y184 HydrophobicContact CE2-CE1 3.93Å; F62-Y184 AromaticContact CE2-CE2 3.99Å; F62-Y184 HydrophobicContact CE2-CE2 3.99Å; F62-Y184 AromaticContact CE2-CG 3.37Å; F62-Y184 HydrophobicContact CE2-CG 3.37Å; F62-Y184 AromaticContact CG-CD1 3.61Å; F62-Y184 HydrophobicContact CG-CD1 3.61Å; F62-Y184 AromaticContact CG-CE1 3.36Å; F62-Y184 HydrophobicContact CG-CE1 3.36Å; F62-Y184 HydrophobicContact CG-CG 4.3Å; F62-Y184 AromaticContact CG-CZ 3.85Å; F62-Y184 AromaticContact CZ-CD1 3.63Å; F62-Y184 HydrophobicContact CZ-CD1 3.63Å; F62-Y184 HydrophobicContact CZ-CD2 4.29Å; F62-Y184 HydrophobicContact CZ-CE1 4.36Å; F62-Y184 AromaticContact CZ-CG 3.58Å; F62-Y184 HydrophobicContact CZ-CG 3.58Å; L115-Y184 HydrophobicContact CB-CE2 4.08Å; Y184-R188 CarbonylContact C-O 3.58Å; Y184-R188 WeakPolarHBondContact CA-O 3.3Å; Y184-R188 VanDerWaalsContact CD2-O 3.32Å; Y184-R188 WeakPolarHBondContact CD2-O 3.31Å; Y184-L189 HydrophobicContact CD2-CD2 3.85Å; Y184-L189 HydrophobicContact CD2-CG 4.43Å; Y184-K227 HydrophobicContact CD1-CB 4.32Å; Y184-K227 HydrophobicContact CD1-CD 4.04Å; Y184-K227 HydrophobicContact CE1-CD 4.47Å
185H79.6Confident82.8Confident97 Ų9764 Ų6445%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-115.6136.9-175.2-178.9-140.5000111.1K187 R188H185-K187 PolarHBondContact O-N 3.03Å; H185-R188 PolarHBondContact N-O 2.82Å; H185-R188 VanDerWaalsContact N-O 3.08Å; H185-R188 PolarHBondContact O-N 3.09Å; H185-R188 VanDerWaalsContact O-O 3.13Å
186K75.4Confident83.6Confident177 Ų17760.5 Ų60.577%0.7728%0.284SS*.THydrogen-bonded Turntrans48.536175.3-70.3168.5-177.5170.40115.5R188K186-R188 VanDerWaalsContact C-N 3.3Å
187K76.4Confident83.9Confident129 Ų12954.8 Ų54.856%0.56125%0.249SC*.THydrogen-bonded Turntrans74.83.6-176.9-50.3174.4-175.4167.40116.2R114 L115 H185R114-K187 WeakPolarHBondContact CA-O 3.3Å; L115-K187 PolarHBondContact N-O 3.14Å; H185-K187 PolarHBondContact O-N 3.03Å
188R81.5Confident83.6Confident56 Ų5658.9 Ų58.921%0.21128%0.275CS..EExtended strand (participates in β ladder)trans-102.9149.4175.5167163.9143156.6-23.2110.2K45 S46 D113 R114 Y184 H185 K186 D190K45-R188 PolarHBondContact O-NH2 2.84Å; S46-R188 VanDerWaalsContact CA-NH1 3.32Å; S46-R188 VanDerWaalsContact CB-NH1 3.3Å; S46-R188 PolarHBondContact OG-NH1 3.35Å; D113-R188 WeakPolarHBondContact O-CA 3.25Å; R114-R188 HydrophobicContact CG-CB 4.17Å; Y184-R188 CarbonylContact C-O 3.58Å; Y184-R188 WeakPolarHBondContact CA-O 3.3Å; Y184-R188 VanDerWaalsContact CD2-O 3.32Å; Y184-R188 WeakPolarHBondContact CD2-O 3.31Å; H185-R188 PolarHBondContact N-O 2.82Å; H185-R188 VanDerWaalsContact N-O 3.08Å; H185-R188 PolarHBondContact O-N 3.09Å; H185-R188 VanDerWaalsContact O-O 3.13Å; K186-R188 VanDerWaalsContact C-N 3.3Å; R188-D190 IonicContact CZ-OD2 3.11Å; R188-D190 IonicContact NE-OD2 3.55Å; R188-D190 PolarHBondContact NE-OD2 2.86Å; R188-D190 IonicContact NH2-OD2 3.34Å; R188-D190 PolarHBondContact NH2-OD2 2.96Å
189L84.6Confident82.8Confident3 Ų354.9 Ų54.92%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-88.2139.3166.2-62.8168.2000108V48 A54 L65 D113 Y184V48-L189 HydrophobicContact CB-CB 4.37Å; V48-L189 HydrophobicContact CG1-CB 3.69Å; V48-L189 HydrophobicContact CG1-CD1 4.01Å; V48-L189 HydrophobicContact CG1-CG 4.48Å; V48-L189 HydrophobicContact CG2-CB 3.68Å; A54-L189 HydrophobicContact CB-CD1 4.42Å; L65-L189 HydrophobicContact CD2-CD2 3.19Å; D113-L189 PolarHBondContact O-N 2.72Å; D113-L189 VanDerWaalsContact O-N 3.07Å; Y184-L189 HydrophobicContact CD2-CD2 3.85Å; Y184-L189 HydrophobicContact CD2-CG 4.43Å
190D80.9Confident81.8Confident46 Ų4654.9 Ų54.925%0.24627%0.271CS..EExtended strand (participates in β ladder)trans-149.7158.4-175.5-130-54.4000108.7T183 R188T183-D190 PolarHBondContact N-O 3.21Å; T183-D190 PolarHBondContact O-N 3.48Å; T183-D190 PolarHBondContact OG1-O 3.41Å; R188-D190 IonicContact CZ-OD2 3.11Å; R188-D190 IonicContact NE-OD2 3.55Å; R188-D190 PolarHBondContact NE-OD2 2.86Å; R188-D190 IonicContact NH2-OD2 3.34Å; R188-D190 PolarHBondContact NH2-OD2 2.96Å
191E84.5Confident81.1Confident35 Ų3555.9 Ų55.916%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-121.8127.8-173-53-73.9169.300110.3L49 T52 S182L49-E191 HydrophobicContact CD1-CG 3.86Å; L49-E191 HydrophobicContact CG-CG 3.93Å; L49-E191 PolarHBondContact N-OE1 2.83Å; T52-E191 PolarHBondContact OG1-OE1 2.89Å; S182-E191 WeakPolarHBondContact CA-OE2 3.49Å; S182-E191 WeakPolarHBondContact CB-OE2 3.3Å; S182-E191 PolarHBondContact N-OE2 3.11Å; S182-E191 PolarHBondContact OG-OE1 2.94Å; S182-E191 PolarHBondContact OG-OE2 3.43Å
192E82.9Confident80.3Confident45 Ų4555.9 Ų55.921%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-109.1123.4-173.9-176.4-179.4-178.700110.7F180 V181 T183 V194 H220 T225F180-E192 CarbonylContact C-O 3.6Å; F180-E192 VanDerWaalsContact CA-O 3.23Å; F180-E192 WeakPolarHBondContact CA-O 3.23Å; V181-E192 HydrophobicContact CG1-CB 4.08Å; V181-E192 PolarHBondContact N-O 3.02Å; V181-E192 PolarHBondContact O-N 2.05Å; T183-E192 HydrophobicContact CG2-CB 3.73Å; E192-V194 WeakPolarHBondContact O-CG1 3.49Å; E192-H220 VanDerWaalsContact CD-ND1 3.31Å; E192-H220 IonicContact OE1-CE1 2.73Å; E192-H220 IonicContact OE1-CG 2.79Å; E192-H220 IonicContact OE1-ND1 3.08Å; E192-H220 PolarHBondContact OE1-ND1 2.64Å; E192-H220 IonicContact OE2-CE1 2.86Å; E192-H220 IonicContact OE2-ND1 3.39Å; E192-T225 VanDerWaalsContact OE2-CG2 3.32Å; E192-T225 WeakPolarHBondContact OE2-CG2 3.09Å
193L85.3Confident79.3Confident113 Ų11361.3 Ų61.359%0.59231%0.307SS*.EExtended strand (participates in β ladder)trans-67.5130.4171.6178.475.7000109.8F180F180-L193 HydrophobicContact CD1-CB 4.01Å; F180-L193 HydrophobicContact CD1-CD1 3.96Å; F180-L193 HydrophobicContact CE1-CB 3.92Å; F180-L193 HydrophobicContact CE1-CD1 3.4Å; F180-L193 VanDerWaalsContact CE1-CD1 3.4Å; F180-L193 HydrophobicContact CE1-CG 4.25Å; F180-L193 HydrophobicContact CE2-CD1 4.38Å; F180-L193 HydrophobicContact CZ-CD1 3.64Å
194V85.3Confident78Confident7 Ų762.8 Ų62.84%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-116.7146.2-176.2-40.70000111.6C179 V181 E192 M196 H220 L233C179-V194 HydrophobicContact CB-CG2 3.7Å; C179-V194 PolarHBondContact O-N 3.07Å; V181-V194 HydrophobicContact CB-CG1 4.03Å; V181-V194 HydrophobicContact CG1-CG1 3.53Å; E192-V194 WeakPolarHBondContact O-CG1 3.49Å; V194-M196 HydrophobicContact CG2-SD 3.83Å; V194-H220 WeakPolarHBondContact CG1-CE1 3.2Å; V194-H220 WeakPolarHBondContact CG1-NE2 3.06Å; V194-L233 HydrophobicContact CG2-CD1 3.72Å
195R85Confident76.3Confident173 Ų17365 Ų6565%0.65334%0.342SS*.EExtended strand (participates in β ladder)trans-99.7120.8173.1-64.6-176.8-175.6-1572.5109.2S218 T219R195-S218 CarbonylContact O-C 3.54Å; R195-S218 WeakPolarHBondContact O-CA 3.21Å; R195-S218 WeakPolarHBondContact O-CB 3.21Å; R195-T219 PolarHBondContact O-N 2.7Å; R195-T219 PolarHBondContact O-OG1 2.81Å
196M85.4Confident75.1Confident25 Ų2568.4 Ų68.412%0.12336%0.358CS..EExtended strand (participates in β ladder)trans-68.3148.8178.9-55-47.8-61.200111.3P173 C179 V194 S200 I216 C217 L233P173-M196 HydrophobicContact CG-CE 4.26Å; C179-M196 HydrophobicContact CB-SD 3.91Å; V194-M196 HydrophobicContact CG2-SD 3.83Å; M196-S200 VanDerWaalsContact CB-OG 3.27Å; M196-S200 WeakPolarHBondContact CB-OG 3.29Å; M196-I216 HydrophobicContact CE-CG2 3.33Å; M196-C217 WeakPolarHBondContact CE-O 3.46Å; M196-L233 HydrophobicContact CE-CD2 4.17Å
197V77.8Confident74.2Confident23 Ų2364.7 Ų64.714%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-67.9145162.8175.30000107.9G199 S200 F204 C217 T219 L264V197-G199 PolarHBondContact O-N 2.71Å; V197-S200 WeakPolarHBondContact O-CA 3.43Å; V197-S200 PolarHBondContact O-N 3.46Å; V197-F204 HydrophobicContact CG1-CE1 4.49Å; V197-C217 HydrophobicContact CB-CB 4.3Å; V197-C217 HydrophobicContact CG2-CB 3.87Å; V197-C217 PolarHBondContact N-O 2.86Å; V197-T219 HydrophobicContact CG2-CG2 4.16Å; V197-L264 HydrophobicContact CG2-CD1 3.75Å
198P70.4Confident73.3Confident112 Ų11262 Ų6273%0.72734%0.337SS*.EExtended strand (participates in β ladder)trans-53133.5177.1-28.736.4000113S200P198-S200 PolarHBondContact O-N 3.3Å
199G69.1Low72.2Confident45 Ų4563.5 Ų63.546%0.46435%0.347SS..EExtended strand (participates in β ladder)trans70.4-0.4-171.600000114.6D175 V197 V201D175-G199 PolarHBondContact OD1-N 2.95Å; D175-G199 VanDerWaalsContact OD1-N 3.1Å; D175-G199 PolarHBondContact OD2-N 3.34Å; V197-G199 PolarHBondContact O-N 2.71Å; G199-V201 PolarHBondContact O-N 3.42Å
200S69.4Low71.3Confident0 Ų064 Ų640%035%0.35CS..EExtended strand (participates in β ladder)trans56.5-1.3170.5-70.60000118.4P173 D175 M196 V197 P198 I216 C217P173-S200 PolarHBondContact O-OG 3.22Å; D175-S200 PolarHBondContact OD1-OG 2.76Å; M196-S200 VanDerWaalsContact CB-OG 3.27Å; M196-S200 WeakPolarHBondContact CB-OG 3.29Å; V197-S200 WeakPolarHBondContact O-CA 3.43Å; V197-S200 PolarHBondContact O-N 3.46Å; P198-S200 PolarHBondContact O-N 3.3Å; S200-I216 VanDerWaalsContact O-CA 3.27Å; S200-I216 WeakPolarHBondContact O-CA 3.35Å; S200-I216 WeakPolarHBondContact O-CG2 3.42Å; S200-C217 PolarHBondContact O-N 2.85Å
201V74.2Confident70.5Confident45 Ų4563.2 Ų63.227%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-97.3143.1178.61780000111.3I172 G199 N203I172-V201 HydrophobicContact CD1-CG2 3.5Å; I172-V201 HydrophobicContact CG1-CG2 4.02Å; I172-V201 HydrophobicContact CG2-CG2 4.38Å; G199-V201 PolarHBondContact O-N 3.42Å; V201-N203 HydrophobicContact CG1-CB 4.18Å; V201-N203 PolarHBondContact O-N 3.3Å
202C74.1Confident69.7Low0 Ų069.6 Ų69.60%038%0.376CS..  trans-73.548.2174.4-58.60000113.8F204 G215 I216 C217 F266C202-F204 HydrophobicContact CB-CE2 3.91Å; C202-F204 PolarHBondContact O-N 2.97Å; C202-G215 PolarHBondContact N-O 2.88Å; C202-I216 PolarHBondContact SG-O 2.81Å; C202-C217 HydrophobicContact CB-CB 4.1Å; C202-C217 WeakPolarHBondContact CB-SG 3.03Å; C202-C217 VanDerWaalsContact SG-CA 3.6Å; C202-C217 WeakPolarHBondContact SG-CB 3.47Å; C202-C217 PolarHBondContact SG-N 3.36Å; C202-C217 CovalentContact SG-SG 2.04Å; C202-C217 PolarHBondContact SG-SG 2.89Å; C202-F266 HydrophobicContact CB-CD2 4.1Å; C202-F266 HydrophobicContact CB-CE2 4.11Å; C202-F266 WeakPolarHBondContact SG-CD2 3.27Å
203N68.8Low69.1Low114 Ų11468.1 Ų68.161%0.6137%0.371SS*.  trans-93.876.5179.5-170.529000111.6V201 A211V201-N203 HydrophobicContact CG1-CB 4.18Å; V201-N203 PolarHBondContact O-N 3.3Å; N203-A211 WeakPolarHBondContact OD1-CB 3.44Å
204F60.3Low68.7Low50 Ų5068.1 Ų68.122%0.21937%0.366CS..  trans-95.5122.4170.3-45.3-76.8000108.1V197 C202 H206 F207 C217 L264V197-F204 HydrophobicContact CG1-CE1 4.49Å; C202-F204 HydrophobicContact CB-CE2 3.91Å; C202-F204 PolarHBondContact O-N 2.97Å; F204-H206 PolarHBondContact O-N 2Å; F204-F207 HydrophobicContact CB-CD2 3.98Å; F204-F207 HydrophobicContact CD2-CD2 4.44Å; F204-F207 HydrophobicContact CG-CD2 4.49Å; F204-F207 PolarHBondContact O-N 2.83Å; F204-C217 HydrophobicContact CZ-CB 4.3Å; F204-L264 HydrophobicContact CE1-CD2 4.28Å; F204-L264 HydrophobicContact CE2-CD2 3.75Å; F204-L264 HydrophobicContact CZ-CD1 4.07Å; F204-L264 HydrophobicContact CZ-CD2 3.56Å; F204-L264 HydrophobicContact CZ-CG 4.42Å
205G51.7Low68.6Low69 Ų6967.8 Ų67.871%0.71136%0.364SS*.THydrogen-bonded Turntrans-55-30.1-175.800000114.2F207G205-F207 VanDerWaalsContact C-N 3.26Å; G205-F207 PolarHBondContact O-N 2.94Å
206H54.1Low68.8Low169 Ų16959.6 Ų59.678%0.78233%0.333SS*.THydrogen-bonded Turntrans-73.3-7.8175.9-49.2-59.1000114.9F204F204-H206 PolarHBondContact O-N 2Å
207F55.7Low68.9Low100 Ų10058.4 Ų58.444%0.43933%0.327SS..  trans-13163.1-177.5-61.5-62.7000112.4F204 G205 E209 L210 A211F204-F207 HydrophobicContact CB-CD2 3.98Å; F204-F207 HydrophobicContact CD2-CD2 4.44Å; F204-F207 HydrophobicContact CG-CD2 4.49Å; F204-F207 PolarHBondContact O-N 2.83Å; G205-F207 VanDerWaalsContact C-N 3.26Å; G205-F207 PolarHBondContact O-N 2.94Å; F207-E209 PolarHBondContact O-N 3.11Å; F207-E209 VanDerWaalsContact O-N 3.09Å; F207-L210 HydrophobicContact CB-CB 4.27Å; F207-L210 HydrophobicContact CB-CD1 3.87Å; F207-L210 HydrophobicContact CB-CG 4.08Å; F207-L210 HydrophobicContact CG-CD1 4.23Å; F207-L210 WeakPolarHBondContact O-CB 3.09Å; F207-L210 PolarHBondContact O-N 3.05Å; F207-A211 PolarHBondContact O-N 3.03Å
208P58.1Low69.3Low71 Ų7157.3 Ų57.346%0.46132%0.321SS..Hα-helixtrans-62.4-20.3-175.625.5-35.6000114.3K212P208-K212 WeakPolarHBondContact O-CD 3.34Å; P208-K212 VanDerWaalsContact O-CG 3.31Å; P208-K212 WeakPolarHBondContact O-CG 3.11Å; P208-K212 PolarHBondContact O-N 2.95Å
209E58.7Low69.7Low88 Ų8853.7 Ų53.741%0.41130%0.296SS..Hα-helixtrans-63.8-40.8168.8-71-172.1-155.400112.4A137 V138 F207 K212A137-E209 WeakPolarHBondContact CA-OE2 3.41Å; V138-E209 WeakPolarHBondContact CG2-OE2 3.45Å; V138-E209 PolarHBondContact N-OE2 2.87Å; F207-E209 PolarHBondContact O-N 3.11Å; F207-E209 VanDerWaalsContact O-N 3.09Å; E209-K212 PolarHBondContact O-N 2.96Å
210L64.8Low70Confident15 Ų1551.8 Ų51.88%0.07928%0.275CS..Hα-helixtrans-70.9-41.6-179.7-63.1-179.2000111.2A137 I142 F207 K212 T213 L251 F266A137-L210 HydrophobicContact CB-CD2 4.45Å; I142-L210 HydrophobicContact CD1-CD2 4Å; F207-L210 HydrophobicContact CB-CB 4.27Å; F207-L210 HydrophobicContact CB-CD1 3.87Å; F207-L210 HydrophobicContact CB-CG 4.08Å; F207-L210 HydrophobicContact CG-CD1 4.23Å; F207-L210 WeakPolarHBondContact O-CB 3.09Å; F207-L210 PolarHBondContact O-N 3.05Å; L210-K212 VanDerWaalsContact C-N 3.27Å; L210-K212 PolarHBondContact O-N 3.04Å; L210-T213 WeakPolarHBondContact O-CB 3.21Å; L210-T213 PolarHBondContact O-N 3.2Å; L210-T213 PolarHBondContact O-OG1 3.2Å; L210-L251 HydrophobicContact CD1-CD1 3.76Å; L210-L251 HydrophobicContact CD1-CD2 3.95Å; L210-F266 HydrophobicContact CB-CE2 4.48Å; L210-F266 HydrophobicContact CD2-CD2 4.13Å; L210-F266 HydrophobicContact CD2-CE2 3.92Å
211A64.8Low69.7Low29 Ų2957.4 Ų57.424%0.2431%0.305CS..Hα-helixtrans-54.1-44.1174.700000111.8N203 F207 T213 K214N203-A211 WeakPolarHBondContact OD1-CB 3.44Å; F207-A211 PolarHBondContact O-N 3.03Å; A211-T213 PolarHBondContact O-N 2.88Å; A211-T213 VanDerWaalsContact O-N 3.14Å; A211-K214 PolarHBondContact O-N 3.18Å; A211-K214 VanDerWaalsContact O-N 3.17Å
212K68.7Low68.9Low168 Ų16863.7 Ų63.773%0.7332%0.324SS*.THydrogen-bonded Turntrans-63-17177.6-72169.2-175.8174.50114.5P208 E209 L210P208-K212 WeakPolarHBondContact O-CD 3.34Å; P208-K212 VanDerWaalsContact O-CG 3.31Å; P208-K212 WeakPolarHBondContact O-CG 3.11Å; P208-K212 PolarHBondContact O-N 2.95Å; E209-K212 PolarHBondContact O-N 2.96Å; L210-K212 VanDerWaalsContact C-N 3.27Å; L210-K212 PolarHBondContact O-N 3.04Å
213T70.5Confident67.8Low14 Ų1468 Ų689%0.08636%0.355CS..THydrogen-bonded Turntrans-82.1-14.9176.768.10000114.6Y135 L210 A211 G215 F266Y135-T213 HydrophobicContact CD2-CG2 4.33Å; Y135-T213 HydrophobicContact CG-CG2 4.29Å; L210-T213 WeakPolarHBondContact O-CB 3.21Å; L210-T213 PolarHBondContact O-N 3.2Å; L210-T213 PolarHBondContact O-OG1 3.2Å; A211-T213 PolarHBondContact O-N 2.88Å; A211-T213 VanDerWaalsContact O-N 3.14Å; T213-G215 PolarHBondContact O-N 2.93Å; T213-G215 PolarHBondContact OG1-N 3.12Å; T213-G215 VanDerWaalsContact OG1-N 3.16Å; T213-F266 VanDerWaalsContact OG1-CZ 3.3Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.45Å
214K76.6Confident67.1Low114 Ų11469.9 Ų69.950%0.49636%0.36SS..THydrogen-bonded Turntrans52.134.4-165.6-58-170175-166.70113.2Y170 A211 H269Y170-K214 HydrophobicContact CD1-CB 4.07Å; Y170-K214 HydrophobicContact CD1-CD 3.62Å; Y170-K214 HydrophobicContact CD1-CG 4.48Å; Y170-K214 HydrophobicContact CD2-CD 4.25Å; Y170-K214 HydrophobicContact CE1-CB 4.27Å; Y170-K214 HydrophobicContact CE1-CD 3.86Å; Y170-K214 HydrophobicContact CE2-CD 4.48Å; Y170-K214 HydrophobicContact CG-CD 3.85Å; A211-K214 PolarHBondContact O-N 3.18Å; A211-K214 VanDerWaalsContact O-N 3.17Å; K214-H269 WeakPolarHBondContact O-CB 3.5Å
215G82.6Confident66.8Low0 Ų068.6 Ų68.60%036%0.356CS..  trans-68.6151.5175.600000112.9C202 T213 Y267C202-G215 PolarHBondContact N-O 2.88Å; T213-G215 PolarHBondContact O-N 2.93Å; T213-G215 PolarHBondContact OG1-N 3.12Å; T213-G215 VanDerWaalsContact OG1-N 3.16Å; G215-Y267 CarbonylContact C-O 3.52Å; G215-Y267 WeakPolarHBondContact CA-O 3.45Å
216I88.7Confident66.9Low1 Ų171.8 Ų71.81%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-98.6145.2176.4-73.1167.2000109.2M196 S200 C202 L233 F244 Y267M196-I216 HydrophobicContact CE-CG2 3.33Å; S200-I216 VanDerWaalsContact O-CA 3.27Å; S200-I216 WeakPolarHBondContact O-CA 3.35Å; S200-I216 WeakPolarHBondContact O-CG2 3.42Å; C202-I216 PolarHBondContact SG-O 2.81Å; I216-L233 HydrophobicContact CB-CD2 4.39Å; I216-L233 HydrophobicContact CG2-CD2 3.47Å; I216-L233 VanDerWaalsContact CG2-CD2 3.47Å; I216-F244 HydrophobicContact CD1-CB 3.9Å; I216-Y267 PolarHBondContact N-O 3.32Å; I216-Y267 WeakPolarHBondContact O-CD2 3.42Å; I216-Y267 PolarHBondContact O-N 3.12Å
217C87.5Confident67.7Low0 Ų067.8 Ų67.80%033%0.333CS..EExtended strand (participates in β ladder)trans-129.1140.3-176.1-91.10000113.9M196 V197 S200 C202 F204 L264 H265M196-C217 WeakPolarHBondContact CE-O 3.46Å; V197-C217 HydrophobicContact CB-CB 4.3Å; V197-C217 HydrophobicContact CG2-CB 3.87Å; V197-C217 PolarHBondContact N-O 2.86Å; S200-C217 PolarHBondContact O-N 2.85Å; C202-C217 HydrophobicContact CB-CB 4.1Å; C202-C217 WeakPolarHBondContact CB-SG 3.03Å; C202-C217 VanDerWaalsContact SG-CA 3.6Å; C202-C217 WeakPolarHBondContact SG-CB 3.47Å; C202-C217 PolarHBondContact SG-N 3.36Å; C202-C217 CovalentContact SG-SG 2.04Å; C202-C217 PolarHBondContact SG-SG 2.89Å; F204-C217 HydrophobicContact CZ-CB 4.3Å; C217-L264 HydrophobicContact CB-CD1 4.13Å; C217-H265 WeakPolarHBondContact CA-O 3.45Å
218S87.2Confident69.1Low0 Ų063.1 Ų63.10%031%0.312CS..EExtended strand (participates in β ladder)trans-132.5151173.172.40000112.1R195 H220 H265 Y267R195-S218 CarbonylContact O-C 3.54Å; R195-S218 WeakPolarHBondContact O-CA 3.21Å; R195-S218 WeakPolarHBondContact O-CB 3.21Å; S218-H220 PolarHBondContact OG-CD2 2.75Å; S218-H220 VanDerWaalsContact OG-CD2 3.22Å; S218-H220 PolarHBondContact OG-NE2 3.41Å; S218-H265 PolarHBondContact N-O 2.88Å; S218-H265 VanDerWaalsContact N-O 3.14Å; S218-H265 PolarHBondContact O-N 2.84Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.18Å; S218-Y267 PolarHBondContact OG-OH 2.69Å
219T78.8Confident70.6Confident35 Ų3561.5 Ų61.522%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-92144.3170.655.50000110.8R195 V197R195-T219 PolarHBondContact O-N 2.7Å; R195-T219 PolarHBondContact O-OG1 2.81Å; V197-T219 HydrophobicContact CG2-CG2 4.16Å
220H74.8Confident72.2Confident5 Ų557.4 Ų57.42%0.02328%0.281CS..EExtended strand (participates in β ladder)trans-136.8139.6-180-76-113.6000110.9E192 V194 S218 R222 S263 H265 Y267E192-H220 VanDerWaalsContact CD-ND1 3.31Å; E192-H220 IonicContact OE1-CE1 2.73Å; E192-H220 IonicContact OE1-CG 2.79Å; E192-H220 IonicContact OE1-ND1 3.08Å; E192-H220 PolarHBondContact OE1-ND1 2.64Å; E192-H220 IonicContact OE2-CE1 2.86Å; E192-H220 IonicContact OE2-ND1 3.39Å; V194-H220 WeakPolarHBondContact CG1-CE1 3.2Å; V194-H220 WeakPolarHBondContact CG1-NE2 3.06Å; S218-H220 PolarHBondContact OG-CD2 2.75Å; S218-H220 VanDerWaalsContact OG-CD2 3.22Å; S218-H220 PolarHBondContact OG-NE2 3.41Å; H220-R222 VanDerWaalsContact C-N 3.26Å; H220-R222 PolarHBondContact O-N 3.02Å; H220-S263 PolarHBondContact N-O 2.74Å; H220-S263 PolarHBondContact O-N 2.86Å; H220-S263 PolarHBondContact O-OG 3.24Å; H220-H265 AromaticContact CD2-CE1 3.57Å; H220-H265 AromaticContact CD2-CG 3.47Å; H220-H265 VanDerWaalsContact CD2-CG 3.47Å; H220-H265 AromaticContact CD2-ND1 2.97Å; H220-H265 PolarHBondContact CD2-ND1 2.73Å; H220-H265 AromaticContact CE1-CE1 3.66Å; H220-H265 AromaticContact CE1-ND1 3.24Å; H220-H265 PolarHBondContact CE1-ND1 3.43Å; H220-H265 AromaticContact CG-CE1 3.37Å; H220-H265 AromaticContact CG-ND1 3.29Å; H220-H265 VanDerWaalsContact CG-ND1 3.29Å; H220-H265 AromaticContact ND1-CE1 3.43Å; H220-H265 PolarHBondContact ND1-CE1 2.66Å; H220-H265 AromaticContact ND1-ND1 3.44Å; H220-H265 PolarHBondContact ND1-ND1 3.08Å; H220-H265 AromaticContact NE2-CE1 3.75Å; H220-H265 AromaticContact NE2-CG 3.72Å; H220-H265 AromaticContact NE2-ND1 2.93Å; H220-H265 PolarHBondContact NE2-ND1 3.23Å; H220-Y267 PolarHBondContact NE2-OH 3.17Å; H220-Y267 VanDerWaalsContact NE2-OH 3.16Å
221D63Low73.6Confident118 Ų11856.7 Ų56.763%0.63128%0.277SS*.SBendtrans-81.70.7-177.7-57.2-38.2000113.5
222R57.7Low75Confident177 Ų17755.3 Ų55.367%0.66827%0.266SS*.  trans-141.8117-173.8-75.8-174.9168.2168.6-3.1113.7H220 E224 S263H220-R222 VanDerWaalsContact C-N 3.26Å; H220-R222 PolarHBondContact O-N 3.02Å; R222-E224 PolarHBondContact O-N 3.3Å; R222-S263 PolarHBondContact O-OG 3.05Å
223S51.8Low76.2Confident92 Ų9247.3 Ų47.364%0.64323%0.231SC*.SBendtrans-73.925.7167.369.20000114.1
224E52.8Low77.3Confident152 Ų15246.8 Ų46.871%0.7123%0.228SC*.  trans-114.625.8-177.9-68.8-162151.700112.5R222 E226R222-E224 PolarHBondContact O-N 3.3Å; E224-E226 PolarHBondContact O-N 3.34Å
225T53.8Low78Confident24 Ų2441.4 Ų41.415%0.14720%0.204CC..  trans-74.654.2175.651.40000112.8E192 K227 H265E192-T225 VanDerWaalsContact OE2-CG2 3.32Å; E192-T225 WeakPolarHBondContact OE2-CG2 3.09Å; T225-K227 VanDerWaalsContact C-N 3.28Å; T225-K227 PolarHBondContact O-N 2.88Å; T225-H265 PolarHBondContact OG1-CE1 3.02Å; T225-H265 PolarHBondContact OG1-NE2 3.34Å
226E54.8Low78.3Confident135 Ų13543.1 Ų43.163%0.63121%0.213SC*.THydrogen-bonded Turntrans-63.976.8-178.4-108.2-140.6-161.800112.1E224E224-E226 PolarHBondContact O-N 3.34Å
227K71.3Confident78.2Confident86 Ų8645.4 Ų45.437%0.37423%0.227SC..THydrogen-bonded Turntrans104.638.4171.3-52.9155.2-140.478.10116.7F62 Y184 T225 L229F62-K227 HydrophobicContact CD1-CB 4.45Å; F62-K227 HydrophobicContact CD1-CD 4.24Å; F62-K227 HydrophobicContact CE1-CB 3.85Å; F62-K227 HydrophobicContact CE1-CD 4.47Å; F62-K227 HydrophobicContact CE1-CG 4.46Å; Y184-K227 HydrophobicContact CD1-CB 4.32Å; Y184-K227 HydrophobicContact CD1-CD 4.04Å; Y184-K227 HydrophobicContact CE1-CD 4.47Å; T225-K227 VanDerWaalsContact C-N 3.28Å; T225-K227 PolarHBondContact O-N 2.88Å; K227-L229 PolarHBondContact O-N 2.9Å
228S84.3Confident77.7Confident1 Ų149.5 Ų49.51%0.00727%0.269CS..  trans-712.1163.5-46.60000114T183 G230 G231 Y247T183-S228 WeakPolarHBondContact CG2-OG 3.28Å; S228-G230 PolarHBondContact O-N 2.92Å; S228-G231 WeakPolarHBondContact O-CA 3.25Å; S228-G231 PolarHBondContact O-N 2.91Å; S228-Y247 VanDerWaalsContact C-CD1 3.43Å; S228-Y247 VanDerWaalsContact O-CD1 3.25Å; S228-Y247 WeakPolarHBondContact O-CD1 3.34Å
229L90.2Very high77.5Confident38 Ų3852.4 Ų52.420%0.19930%0.299CS..THydrogen-bonded Turntrans-55.9122.1-177.7-174.364.4000112.8C64 L65 A88 K227 G231 L248C64-L229 VanDerWaalsContact CA-O 3.31Å; C64-L229 WeakPolarHBondContact CA-O 3.27Å; C64-L229 VanDerWaalsContact CB-O 3.25Å; C64-L229 WeakPolarHBondContact CB-O 3.39Å; L65-L229 PolarHBondContact N-O 3.47Å; A88-L229 HydrophobicContact CB-CD1 4Å; A88-L229 HydrophobicContact CB-CG 4.37Å; K227-L229 PolarHBondContact O-N 2.9Å; L229-G231 VanDerWaalsContact C-N 3.27Å; L229-L248 VanDerWaalsContact CD1-O 3.32Å; L229-L248 WeakPolarHBondContact CD1-O 2.94Å
230G92.3Very high77.9Confident1 Ų152.8 Ų52.81%0.0130%0.297CS..THydrogen-bonded Turntrans81.21.9-175.200000114.4L65 G66 S228 Y247L65-G230 CarbonylContact C-O 3.54Å; G66-G230 WeakPolarHBondContact CA-O 3.33Å; G66-G230 PolarHBondContact N-O 3.19Å; S228-G230 PolarHBondContact O-N 2.92Å; G230-Y247 PolarHBondContact N-O 2.98Å
231G92.9Very high78.7Confident0 Ų052.6 Ų52.60%030%0.296CS..  trans-63.7133.4176.300000111.1S228 L229 I246 Y247S228-G231 WeakPolarHBondContact O-CA 3.25Å; S228-G231 PolarHBondContact O-N 2.91Å; L229-G231 VanDerWaalsContact C-N 3.27Å; G231-I246 CarbonylContact O-C 3.53Å; G231-I246 WeakPolarHBondContact O-CA 3.39Å; G231-Y247 PolarHBondContact O-N 2.97Å
232P95.1Very high80Confident0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-70.1137.6176.132.4-37.3000110.4V181 S182 V234 Q243V181-P232 WeakPolarHBondContact CA-O 2.83Å; S182-P232 WeakPolarHBondContact OG-CD 3.31Å; P232-V234 HydrophobicContact CB-CG2 3.76Å; P232-V234 HydrophobicContact CG-CG2 4.01Å; P232-Q243 HydrophobicContact CB-CG 3.97Å
233L93.5Very high81.7Confident0 Ų040.6 Ų40.60%024%0.242CC..EExtended strand (participates in β ladder)trans-87.5109163.5176.766000107.9C179 F180 V194 M196 I216 Q243 F244 G245 Y267C179-L233 HydrophobicContact CB-CD1 4.13Å; F180-L233 WeakPolarHBondContact O-CA 3.46Å; V194-L233 HydrophobicContact CG2-CD1 3.72Å; M196-L233 HydrophobicContact CE-CD2 4.17Å; I216-L233 HydrophobicContact CB-CD2 4.39Å; I216-L233 HydrophobicContact CG2-CD2 3.47Å; I216-L233 VanDerWaalsContact CG2-CD2 3.47Å; L233-Q243 WeakPolarHBondContact O-CA 3.25Å; L233-Q243 WeakPolarHBondContact O-CG 3.28Å; L233-F244 PolarHBondContact O-N 2.83Å; L233-G245 PolarHBondContact N-O 3.09Å; L233-G245 PolarHBondContact O-N 2.78Å; L233-Y267 HydrophobicContact CB-CD1 3.59Å; L233-Y267 HydrophobicContact CB-CE1 3.89Å; L233-Y267 HydrophobicContact CB-CG 4.26Å; L233-Y267 HydrophobicContact CD1-CD1 4.47Å; L233-Y267 HydrophobicContact CD1-CE1 4.09Å; L233-Y267 HydrophobicContact CD2-CD1 4.06Å; L233-Y267 HydrophobicContact CD2-CD2 4.21Å; L233-Y267 HydrophobicContact CD2-CE1 4.43Å; L233-Y267 HydrophobicContact CD2-CG 3.93Å; L233-Y267 HydrophobicContact CG-CD1 4.25Å; L233-Y267 HydrophobicContact CG-CE1 4.36Å
234V93.4Very high83.6Confident4 Ų436.4 Ų36.42%0.02421%0.212CC..EExtended strand (participates in β ladder)trans-117.7124.7-174.3-175.70000109.5W51 V164 C179 F180 P232 A241 Y242 Q243W51-V234 HydrophobicContact CZ2-CG1 4.06Å; V164-V234 HydrophobicContact CG2-CG1 3.86Å; V164-V234 HydrophobicContact CG2-CG2 4.19Å; C179-V234 CarbonylContact C-O 3.41Å; C179-V234 WeakPolarHBondContact CA-O 3.38Å; F180-V234 PolarHBondContact N-O 2.95Å; F180-V234 PolarHBondContact O-N 2.72Å; P232-V234 HydrophobicContact CB-CG2 3.76Å; P232-V234 HydrophobicContact CG-CG2 4.01Å; V234-A241 HydrophobicContact CG1-CB 3.73Å; V234-Y242 CarbonylContact C-O 3.12Å; V234-Y242 WeakPolarHBondContact CA-O 3.31Å; V234-Q243 HydrophobicContact CG2-CB 4.38Å; V234-Q243 HydrophobicContact CG2-CG 4.43Å
235C91.9Very high85.5Confident0 Ų029.2 Ų29.20%018%0.179CC..EExtended strand (participates in β ladder)trans-117.7144.7176.9-47.70000110.9K178 C179 Y242 F244K178-C235 WeakPolarHBondContact O-CA 3.43Å; C179-C235 HydrophobicContact CB-CB 4.05Å; C179-C235 WeakPolarHBondContact CB-SG 3.27Å; C179-C235 WeakPolarHBondContact SG-CB 3.4Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 2.86Å; C235-Y242 PolarHBondContact N-O 2.92Å; C235-Y242 PolarHBondContact O-N 2.65Å; C235-F244 HydrophobicContact CB-CD2 3.97Å; C235-F244 HydrophobicContact CB-CE2 3.76Å
236L89.3Confident87.4Confident36 Ų3628 Ų2819%0.18817%0.172CC..EExtended strand (participates in β ladder)trans-80.4122.6174.2-56.7-178.7000109.7I38 L42 K178 F180 A241I38-L236 HydrophobicContact CD1-CD2 4.18Å; I38-L236 HydrophobicContact CG2-CD2 3.82Å; L42-L236 HydrophobicContact CD1-CD1 3.85Å; K178-L236 HydrophobicContact CB-CD1 4.46Å; K178-L236 PolarHBondContact O-N 3.14Å; F180-L236 HydrophobicContact CE2-CD1 4.25Å; F180-L236 HydrophobicContact CE2-CG 4.24Å; L236-A241 HydrophobicContact CD2-CB 4.32Å
237V85.2Confident89.2Confident49 Ų4922.4 Ų22.430%0.29715%0.145SC..EExtended strand (participates in β ladder)trans-133.3115.1176.5-173.50000108.2G239 R240 Y242 F244V237-G239 VanDerWaalsContact C-N 3.31Å; V237-G239 PolarHBondContact O-N 2.72Å; V237-R240 PolarHBondContact N-O 3.02Å; V237-R240 PolarHBondContact O-N 2.82Å; V237-Y242 HydrophobicContact CB-CD2 3.79Å; V237-Y242 HydrophobicContact CB-CE2 4.09Å; V237-Y242 HydrophobicContact CG2-CD2 4.21Å; V237-F244 HydrophobicContact CG2-CE2 4.14Å; V237-F244 HydrophobicContact CG2-CZ 4.08Å
238G78.6Confident90.1Very high86 Ų8618.4 Ų18.489%0.88713%0.127SC*.THydrogen-bonded Turntrans59.938.4-175.600000113.3R240G238-R240 PolarHBondContact O-N 2.83Å; G238-R240 VanDerWaalsContact O-N 3.13Å
239G81.4Confident90.1Very high61 Ų6118.8 Ų18.863%0.62913%0.13SC*.THydrogen-bonded Turntrans75.1-10-177.800000115.9I38 V237I38-G239 WeakPolarHBondContact CD1-O 3.32Å; V237-G239 VanDerWaalsContact C-N 3.31Å; V237-G239 PolarHBondContact O-N 2.72Å
240R87.6Confident89.7Confident44 Ų4419.8 Ų19.817%0.16613%0.134CC..EExtended strand (participates in β ladder)trans-100.4143.3178.8-175.3177-61.3162.96111.5S25 C27 E29 C165 V237 G238 Y242S25-R240 PolarHBondContact O-NH1 3.15Å; S25-R240 PolarHBondContact OG-NH1 2.9Å; C27-R240 VanDerWaalsContact O-CD 3.31Å; C27-R240 WeakPolarHBondContact O-CD 3.12Å; C27-R240 WeakPolarHBondContact O-CG 3.5Å; E29-R240 HydrophobicContact CG-CG 4.2Å; E29-R240 IonicContact OE1-CZ 3.43Å; E29-R240 IonicContact OE1-NE 3.86Å; E29-R240 PolarHBondContact OE1-NE 3.18Å; E29-R240 IonicContact OE1-NH2 2.92Å; E29-R240 PolarHBondContact OE1-NH2 2.97Å; C165-R240 VanDerWaalsContact SG-CD 3.57Å; V237-R240 PolarHBondContact N-O 3.02Å; V237-R240 PolarHBondContact O-N 2.82Å; G238-R240 PolarHBondContact O-N 2.83Å; G238-R240 VanDerWaalsContact O-N 3.13Å; R240-Y242 HydrophobicContact CB-CE2 3.91Å; R240-Y242 HydrophobicContact CG-CE2 4.02Å; R240-Y242 WeakPolarHBondContact O-CD2 3.35Å
241A91.4Very high88.8Confident0 Ų020.9 Ų20.90%014%0.139CC..EExtended strand (participates in β ladder)trans-82.8120.9177.800000112.8G28 I38 W51 V164 C165 V234 L236G28-A241 WeakPolarHBondContact CA-O 3.32Å; G28-A241 PolarHBondContact O-N 3.03Å; G28-A241 VanDerWaalsContact O-N 3.17Å; I38-A241 HydrophobicContact CD1-CB 4.01Å; W51-A241 HydrophobicContact CH2-CB 3.23Å; W51-A241 HydrophobicContact CZ2-CB 3.59Å; W51-A241 HydrophobicContact CZ3-CB 3.98Å; V164-A241 HydrophobicContact CG2-CB 4.19Å; C165-A241 PolarHBondContact N-O 2.76Å; V234-A241 HydrophobicContact CG1-CB 3.73Å; L236-A241 HydrophobicContact CD2-CB 4.32Å
242Y91.6Very high87.3Confident44 Ų4427.1 Ų27.117%0.17317%0.171CC..EExtended strand (participates in β ladder)trans-117.3130.7175.1-70.6-92.4000111.2C165 K167 V234 C235 V237 R240 F244C165-Y242 HydrophobicContact CB-CD1 3.56Å; C165-Y242 HydrophobicContact CB-CE1 3.75Å; C165-Y242 HydrophobicContact CB-CG 4.2Å; C165-Y242 CarbonylContact O-C 3.36Å; C165-Y242 WeakPolarHBondContact O-CA 3.45Å; K167-Y242 HydrophobicContact CB-CD1 4.5Å; K167-Y242 HydrophobicContact CD-CD1 3.58Å; K167-Y242 HydrophobicContact CD-CE1 4.05Å; K167-Y242 HydrophobicContact CD-CG 3.97Å; V234-Y242 CarbonylContact C-O 3.12Å; V234-Y242 WeakPolarHBondContact CA-O 3.31Å; C235-Y242 PolarHBondContact N-O 2.92Å; C235-Y242 PolarHBondContact O-N 2.65Å; V237-Y242 HydrophobicContact CB-CD2 3.79Å; V237-Y242 HydrophobicContact CB-CE2 4.09Å; V237-Y242 HydrophobicContact CG2-CD2 4.21Å; R240-Y242 HydrophobicContact CB-CE2 3.91Å; R240-Y242 HydrophobicContact CG-CE2 4.02Å; R240-Y242 WeakPolarHBondContact O-CD2 3.35Å; Y242-F244 VanDerWaalsContact O-CD2 3.32Å; Y242-F244 WeakPolarHBondContact O-CD2 3.39Å
243Q93.1Very high85.3Confident0 Ų029 Ų290%018%0.183CC..EExtended strand (participates in β ladder)trans-84.1128.7169.4-168.3-175.8-600110.8S67 V164 C165 K167 P232 L233 V234 G245 V270S67-Q243 VanDerWaalsContact OG-CD 3.29Å; S67-Q243 PolarHBondContact OG-NE2 3.02Å; S67-Q243 PolarHBondContact OG-OE1 2.82Å; V164-Q243 HydrophobicContact CG1-CB 3.88Å; V164-Q243 HydrophobicContact CG2-CB 4.25Å; C165-Q243 PolarHBondContact O-N 3.1Å; K167-Q243 PolarHBondContact N-O 2.9Å; K167-Q243 VanDerWaalsContact N-O 3.14Å; P232-Q243 HydrophobicContact CB-CG 3.97Å; L233-Q243 WeakPolarHBondContact O-CA 3.25Å; L233-Q243 WeakPolarHBondContact O-CG 3.28Å; V234-Q243 HydrophobicContact CG2-CB 4.38Å; V234-Q243 HydrophobicContact CG2-CG 4.43Å; Q243-G245 WeakPolarHBondContact CG-O 3.29Å; Q243-G245 PolarHBondContact NE2-O 3.2Å; Q243-V270 HydrophobicContact CG-CG1 3.85Å
244F91.8Very high83.1Confident4 Ų438.6 Ų38.62%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-109-35.4177.6-72.4-100.4000112K167 A171 I172 P173 I216 L233 C235 V237 Y242 V270K167-F244 HydrophobicContact CB-CD1 4.22Å; K167-F244 HydrophobicContact CB-CE1 4.12Å; K167-F244 HydrophobicContact CB-CZ 4.34Å; K167-F244 HydrophobicContact CD-CE1 4.4Å; K167-F244 HydrophobicContact CD-CZ 4.12Å; K167-F244 HydrophobicContact CG-CD1 4.33Å; K167-F244 HydrophobicContact CG-CE1 3.76Å; K167-F244 HydrophobicContact CG-CZ 3.96Å; A171-F244 HydrophobicContact CB-CE1 4.5Å; A171-F244 WeakPolarHBondContact O-CD1 3.12Å; I172-F244 VanDerWaalsContact C-CE1 3.49Å; P173-F244 HydrophobicContact CG-CB 4.09Å; P173-F244 HydrophobicContact CG-CD1 3.73Å; P173-F244 HydrophobicContact CG-CD2 4.18Å; P173-F244 HydrophobicContact CG-CE1 4.13Å; P173-F244 HydrophobicContact CG-CG 3.75Å; I216-F244 HydrophobicContact CD1-CB 3.9Å; L233-F244 PolarHBondContact O-N 2.83Å; C235-F244 HydrophobicContact CB-CD2 3.97Å; C235-F244 HydrophobicContact CB-CE2 3.76Å; V237-F244 HydrophobicContact CG2-CE2 4.14Å; V237-F244 HydrophobicContact CG2-CZ 4.08Å; Y242-F244 VanDerWaalsContact O-CD2 3.32Å; Y242-F244 WeakPolarHBondContact O-CD2 3.39Å; F244-V270 WeakPolarHBondContact O-CG2 3.43Å; F244-V270 PolarHBondContact O-N 2.72Å; F244-V270 VanDerWaalsContact O-N 3.14Å
245G91.7Very high80.7Confident0 Ų047.6 Ų47.60%026%0.261CS..EExtended strand (participates in β ladder)trans-145-176.9-175.300000115.1L233 Q243 G268L233-G245 PolarHBondContact N-O 3.09Å; L233-G245 PolarHBondContact O-N 2.78Å; Q243-G245 WeakPolarHBondContact CG-O 3.29Å; Q243-G245 PolarHBondContact NE2-O 3.2Å; G245-G268 CarbonylContact C-O 3.54Å; G245-G268 WeakPolarHBondContact CA-O 3.19Å
246I93.6Very high78.4Confident0 Ų050.6 Ų50.60%029%0.286CS..EExtended strand (participates in β ladder)trans-139.5125.2174.1-57.7176.1000108.4L86 A88 I146 G231 L248 Y267 G268 V270L86-I246 HydrophobicContact CB-CD1 3.87Å; A88-I246 HydrophobicContact CB-CG2 4.41Å; I146-I246 HydrophobicContact CB-CD1 4.33Å; I146-I246 HydrophobicContact CD1-CD1 3.97Å; I146-I246 HydrophobicContact CD1-CG1 4.37Å; I146-I246 HydrophobicContact CG1-CD1 4.02Å; I146-I246 HydrophobicContact CG2-CD1 3.52Å; G231-I246 CarbonylContact O-C 3.53Å; G231-I246 WeakPolarHBondContact O-CA 3.39Å; I246-L248 HydrophobicContact CG2-CD2 4.31Å; I246-L248 PolarHBondContact O-N 2.57Å; I246-Y267 CarbonylContact O-C 3.04Å; I246-Y267 VanDerWaalsContact O-CA 3.24Å; I246-Y267 WeakPolarHBondContact O-CA 3.1Å; I246-G268 PolarHBondContact N-O 3.2Å; I246-G268 PolarHBondContact O-N 3.18Å; I246-V270 HydrophobicContact CG1-CG1 4.33Å
247Y93Very high76.1Confident17 Ų1756 Ų567%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-64.3123.6-179.8175.7-87.5000111.1S228 G230 G231 E250 H265 Y267S228-Y247 VanDerWaalsContact C-CD1 3.43Å; S228-Y247 VanDerWaalsContact O-CD1 3.25Å; S228-Y247 WeakPolarHBondContact O-CD1 3.34Å; G230-Y247 PolarHBondContact N-O 2.98Å; G231-Y247 PolarHBondContact O-N 2.97Å; Y247-E250 PolarHBondContact OH-N 2.81Å; Y247-E250 VanDerWaalsContact OH-N 3.12Å; Y247-H265 HydrophobicContact CD2-CB 4.08Å; Y247-H265 HydrophobicContact CE2-CB 3.83Å; Y247-H265 AromaticContact CE2-CD2 3.69Å; Y247-H265 AromaticContact CE2-CE1 3.99Å; Y247-H265 AromaticContact CE2-CG 3.47Å; Y247-H265 VanDerWaalsContact CE2-CG 3.47Å; Y247-H265 AromaticContact CE2-ND1 3.63Å; Y247-H265 AromaticContact CE2-NE2 3.98Å; Y247-Y267 HydrophobicContact CD2-CE1 4.04Å; Y247-Y267 HydrophobicContact CG-CE1 4.37Å
248L89.4Confident74Confident1 Ų158.9 Ų58.91%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-110.9-40.8178.8-54-170.2000112.9A88 Y135 N141 I142 G145 L229 I246 F266A88-L248 HydrophobicContact CB-CD2 3.5Å; Y135-L248 HydrophobicContact CD2-CD1 3.96Å; Y135-L248 HydrophobicContact CE2-CD1 3.64Å; N141-L248 WeakPolarHBondContact CB-O 3.32Å; I142-L248 HydrophobicContact CG1-CB 4.41Å; I142-L248 HydrophobicContact CG2-CD1 4.48Å; G145-L248 WeakPolarHBondContact O-CD2 3.4Å; L229-L248 VanDerWaalsContact CD1-O 3.32Å; L229-L248 WeakPolarHBondContact CD1-O 2.94Å; I246-L248 HydrophobicContact CG2-CD2 4.31Å; I246-L248 PolarHBondContact O-N 2.57Å; L248-F266 HydrophobicContact CB-CD1 4.24Å; L248-F266 HydrophobicContact CD1-CD1 4.38Å; L248-F266 HydrophobicContact CD1-CE1 4.04Å; L248-F266 HydrophobicContact CG-CD1 4.46Å; L248-F266 PolarHBondContact N-O 3.38Å
249S85.3Confident72.2Confident10 Ų1064 Ų647%0.0733%0.328CS..EExtended strand (participates in β ladder)trans-164152.9-177.5-1650000112.8N139 F266N139-S249 PolarHBondContact ND2-OG 2.79Å; S249-F266 WeakPolarHBondContact O-CB 3.31Å; S249-F266 PolarHBondContact O-N 2.85Å
250E81.1Confident70.8Confident58 Ų5867.4 Ų67.427%0.27133%0.328SS..EExtended strand (participates in β ladder)trans-66.4148.6153-173.2-176-167.600110.3Y247 S263 L264Y247-E250 PolarHBondContact OH-N 2.81Å; Y247-E250 VanDerWaalsContact OH-N 3.12Å; E250-S263 WeakPolarHBondContact OE1-CB 3.19Å; E250-L264 CarbonylContact C-O 3.52Å; E250-L264 WeakPolarHBondContact CA-O 3.33Å
251L74.1Confident69Low25 Ų2575.3 Ų75.313%0.13136%0.363CS..EExtended strand (participates in β ladder)trans-113.5113.5172.6-66.9177.3000108.8I142 L210 T253 L264 F266I142-L251 HydrophobicContact CD1-CD2 3.76Å; L210-L251 HydrophobicContact CD1-CD1 3.76Å; L210-L251 HydrophobicContact CD1-CD2 3.95Å; L251-T253 PolarHBondContact O-N 3.04Å; L251-L264 HydrophobicContact CB-CB 4.21Å; L251-L264 HydrophobicContact CB-CD2 3.96Å; L251-L264 HydrophobicContact CB-CG 4.15Å; L251-L264 HydrophobicContact CD1-CD2 3.73Å; L251-L264 HydrophobicContact CD1-CG 4.11Å; L251-L264 HydrophobicContact CG-CD2 4.48Å; L251-L264 PolarHBondContact N-O 3.02Å; L251-F266 HydrophobicContact CD1-CB 3.95Å; L251-F266 HydrophobicContact CD1-CD2 4.23Å; L251-F266 HydrophobicContact CD2-CB 4.38Å; L251-F266 HydrophobicContact CG-CB 3.95Å
252I61.9Low67.4Low130 Ų13079.2 Ų79.267%0.66738%0.382SS*.  trans-87.997.4-177.6-54.5175.3000109.6R254I252-R254 HydrophobicContact CG2-CG 4.34Å; I252-R254 PolarHBondContact O-N 2.96Å
253T52.4Low66.3Low41 Ų4177.5 Ų77.525%0.25238%0.376SS..  trans-72.390.7172.340.40000110.9L251 F257 L264L251-T253 PolarHBondContact O-N 3.04Å; T253-F257 HydrophobicContact CG2-CD2 4.42Å; T253-F257 HydrophobicContact CG2-CE2 4.26Å; T253-L264 HydrophobicContact CG2-CD2 4.47Å
254R46.1Very low65.7Low201 Ų20178.2 Ų78.276%0.75838%0.38SS*.  trans-74.6132165.6-71.9-172.3170.4-127.9-7.8109.6I252 A256I252-R254 HydrophobicContact CG2-CG 4.34Å; I252-R254 PolarHBondContact O-N 2.96Å; R254-A256 VanDerWaalsContact C-N 3.35Å; R254-A256 PolarHBondContact O-N 2.9Å
255E42.9Very low65.4Low192 Ų19278 Ų7890%0.89738%0.379SS*.SBendtrans69.813.7165.9-64.3144.4-134.300116.8
256A45.1Very low65.2Low64 Ų6478 Ų7853%0.52938%0.379SS..SBendtrans-112.2-14.7-177.300000117.2R254R254-A256 VanDerWaalsContact C-N 3.35Å; R254-A256 PolarHBondContact O-N 2.9Å
257F41.4Very low65.1Low150 Ų15078 Ų7866%0.65838%0.379SS*.  trans-136.7110.9178.4-67.2-80.4000110.1T253T253-F257 HydrophobicContact CG2-CD2 4.42Å; T253-F257 HydrophobicContact CG2-CE2 4.26Å
258S39.5Very low64.9Low109 Ų10977.2 Ų77.276%0.76238%0.376SS*.SBendtrans-89.2-15.4-165.641.10000115.8
259F42.5Very low64.9Low193 Ų19377.3 Ų77.385%0.84638%0.376SS*.SBendtrans-121.6-11.4-167.8-73-74.8000117.5
260Q50.2Low65Low132 Ų13276.8 Ų76.862%0.61737%0.373SS*.  trans-143.5141.2173.1-69.1-171.7-6.300112.4Q262Q260-Q262 HydrophobicContact CB-CG 4.11Å; Q260-Q262 PolarHBondContact O-N 2.84Å
261K50Low65.1Low210 Ų21074.4 Ų74.491%0.91336%0.363SS*.  trans-79.466.2174.3-72-177.1177.7174.70111.6
262Q58.7Low65.1Low83 Ų8373.8 Ų73.839%0.38836%0.361SS..PPolyproline II helixtrans-83126.8173.1-62.4-178.110.900109.9Q260Q260-Q262 HydrophobicContact CB-CG 4.11Å; Q260-Q262 PolarHBondContact O-N 2.84Å
263S69Low65.9Low8 Ų867.6 Ų67.66%0.05633%0.329CS..EExtended strand (participates in β ladder)trans-88129.3170.6410000109.9H220 R222 E250H220-S263 PolarHBondContact N-O 2.74Å; H220-S263 PolarHBondContact O-N 2.86Å; H220-S263 PolarHBondContact O-OG 3.24Å; R222-S263 PolarHBondContact O-OG 3.05Å; E250-S263 WeakPolarHBondContact OE1-CB 3.19Å
264L78.8Confident67.1Low15 Ų1568.5 Ų68.58%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-97.5126.3-179.7178.368.1000109.8V197 F204 C217 E250 L251 T253V197-L264 HydrophobicContact CG2-CD1 3.75Å; F204-L264 HydrophobicContact CE1-CD2 4.28Å; F204-L264 HydrophobicContact CE2-CD2 3.75Å; F204-L264 HydrophobicContact CZ-CD1 4.07Å; F204-L264 HydrophobicContact CZ-CD2 3.56Å; F204-L264 HydrophobicContact CZ-CG 4.42Å; C217-L264 HydrophobicContact CB-CD1 4.13Å; E250-L264 CarbonylContact C-O 3.52Å; E250-L264 WeakPolarHBondContact CA-O 3.33Å; L251-L264 HydrophobicContact CB-CB 4.21Å; L251-L264 HydrophobicContact CB-CD2 3.96Å; L251-L264 HydrophobicContact CB-CG 4.15Å; L251-L264 HydrophobicContact CD1-CD2 3.73Å; L251-L264 HydrophobicContact CD1-CG 4.11Å; L251-L264 HydrophobicContact CG-CD2 4.48Å; L251-L264 PolarHBondContact N-O 3.02Å; T253-L264 HydrophobicContact CG2-CD2 4.47Å
265H86.5Confident68.2Low0 Ų061.2 Ų61.20%031%0.308CS..EExtended strand (participates in β ladder)trans-107133-178.6-75.5179.3000112.1C217 S218 H220 T225 Y247 Y267C217-H265 WeakPolarHBondContact CA-O 3.45Å; S218-H265 PolarHBondContact N-O 2.88Å; S218-H265 VanDerWaalsContact N-O 3.14Å; S218-H265 PolarHBondContact O-N 2.84Å; H220-H265 AromaticContact CD2-CE1 3.57Å; H220-H265 AromaticContact CD2-CG 3.47Å; H220-H265 VanDerWaalsContact CD2-CG 3.47Å; H220-H265 AromaticContact CD2-ND1 2.97Å; H220-H265 PolarHBondContact CD2-ND1 2.73Å; H220-H265 AromaticContact CE1-CE1 3.66Å; H220-H265 AromaticContact CE1-ND1 3.24Å; H220-H265 PolarHBondContact CE1-ND1 3.43Å; H220-H265 AromaticContact CG-CE1 3.37Å; H220-H265 AromaticContact CG-ND1 3.29Å; H220-H265 VanDerWaalsContact CG-ND1 3.29Å; H220-H265 AromaticContact ND1-CE1 3.43Å; H220-H265 PolarHBondContact ND1-CE1 2.66Å; H220-H265 AromaticContact ND1-ND1 3.44Å; H220-H265 PolarHBondContact ND1-ND1 3.08Å; H220-H265 AromaticContact NE2-CE1 3.75Å; H220-H265 AromaticContact NE2-CG 3.72Å; H220-H265 AromaticContact NE2-ND1 2.93Å; H220-H265 PolarHBondContact NE2-ND1 3.23Å; T225-H265 PolarHBondContact OG1-CE1 3.02Å; T225-H265 PolarHBondContact OG1-NE2 3.34Å; Y247-H265 HydrophobicContact CD2-CB 4.08Å; Y247-H265 HydrophobicContact CE2-CB 3.83Å; Y247-H265 AromaticContact CE2-CD2 3.69Å; Y247-H265 AromaticContact CE2-CE1 3.99Å; Y247-H265 AromaticContact CE2-CG 3.47Å; Y247-H265 VanDerWaalsContact CE2-CG 3.47Å; Y247-H265 AromaticContact CE2-ND1 3.63Å; Y247-H265 AromaticContact CE2-NE2 3.98Å; H265-Y267 HydrophobicContact CB-CE2 3.64Å; H265-Y267 WeakPolarHBondContact O-CE2 3.03Å
266F88.2Confident69.1Low0 Ų061 Ų610%030%0.304CS..EExtended strand (participates in β ladder)trans-104.1130.3178.6-179.6-79.4000111.8Y135 I142 C202 L210 T213 L248 S249 L251Y135-F266 HydrophobicContact CD2-CE1 4.48Å; Y135-F266 HydrophobicContact CE2-CE1 4.27Å; I142-F266 HydrophobicContact CD1-CB 4.17Å; I142-F266 HydrophobicContact CD1-CD1 3.91Å; I142-F266 HydrophobicContact CD1-CD2 4.26Å; I142-F266 HydrophobicContact CD1-CE1 4.44Å; I142-F266 HydrophobicContact CD1-CG 3.83Å; I142-F266 HydrophobicContact CG1-CD1 4Å; I142-F266 HydrophobicContact CG1-CE1 4.42Å; I142-F266 HydrophobicContact CG1-CG 4.42Å; I142-F266 HydrophobicContact CG2-CD1 4.12Å; I142-F266 HydrophobicContact CG2-CE1 3.67Å; I142-F266 HydrophobicContact CG2-CZ 3.99Å; C202-F266 HydrophobicContact CB-CD2 4.1Å; C202-F266 HydrophobicContact CB-CE2 4.11Å; C202-F266 WeakPolarHBondContact SG-CD2 3.27Å; L210-F266 HydrophobicContact CB-CE2 4.48Å; L210-F266 HydrophobicContact CD2-CD2 4.13Å; L210-F266 HydrophobicContact CD2-CE2 3.92Å; T213-F266 VanDerWaalsContact OG1-CZ 3.3Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.45Å; L248-F266 HydrophobicContact CB-CD1 4.24Å; L248-F266 HydrophobicContact CD1-CD1 4.38Å; L248-F266 HydrophobicContact CD1-CE1 4.04Å; L248-F266 HydrophobicContact CG-CD1 4.46Å; L248-F266 PolarHBondContact N-O 3.38Å; S249-F266 WeakPolarHBondContact O-CB 3.31Å; S249-F266 PolarHBondContact O-N 2.85Å; L251-F266 HydrophobicContact CD1-CB 3.95Å; L251-F266 HydrophobicContact CD1-CD2 4.23Å; L251-F266 HydrophobicContact CD2-CB 4.38Å; L251-F266 HydrophobicContact CG-CB 3.95Å
267Y90.6Very high69.7Low0 Ų060.2 Ų60.20%030%0.295CS..EExtended strand (participates in β ladder)trans-120126.4178.5-54.9-100.6000110.5V181 G215 I216 S218 H220 L233 I246 Y247 H265V181-Y267 HydrophobicContact CB-CE1 4.13Å; V181-Y267 HydrophobicContact CG2-CE1 3.8Å; G215-Y267 CarbonylContact C-O 3.52Å; G215-Y267 WeakPolarHBondContact CA-O 3.45Å; I216-Y267 PolarHBondContact N-O 3.32Å; I216-Y267 WeakPolarHBondContact O-CD2 3.42Å; I216-Y267 PolarHBondContact O-N 3.12Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.18Å; S218-Y267 PolarHBondContact OG-OH 2.69Å; H220-Y267 PolarHBondContact NE2-OH 3.17Å; H220-Y267 VanDerWaalsContact NE2-OH 3.16Å; L233-Y267 HydrophobicContact CB-CD1 3.59Å; L233-Y267 HydrophobicContact CB-CE1 3.89Å; L233-Y267 HydrophobicContact CB-CG 4.26Å; L233-Y267 HydrophobicContact CD1-CD1 4.47Å; L233-Y267 HydrophobicContact CD1-CE1 4.09Å; L233-Y267 HydrophobicContact CD2-CD1 4.06Å; L233-Y267 HydrophobicContact CD2-CD2 4.21Å; L233-Y267 HydrophobicContact CD2-CE1 4.43Å; L233-Y267 HydrophobicContact CD2-CG 3.93Å; L233-Y267 HydrophobicContact CG-CD1 4.25Å; L233-Y267 HydrophobicContact CG-CE1 4.36Å; I246-Y267 CarbonylContact O-C 3.04Å; I246-Y267 VanDerWaalsContact O-CA 3.24Å; I246-Y267 WeakPolarHBondContact O-CA 3.1Å; Y247-Y267 HydrophobicContact CD2-CE1 4.04Å; Y247-Y267 HydrophobicContact CG-CE1 4.37Å; H265-Y267 HydrophobicContact CB-CE2 3.64Å; H265-Y267 WeakPolarHBondContact O-CE2 3.03Å
268G89.3Confident70.1Confident0 Ų058.1 Ų58.10%030%0.296CS..EExtended strand (participates in β ladder)trans-69.6135.7168.900000110.4Y135 I146 G245 I246Y135-G268 VanDerWaalsContact OH-CA 3.26Å; Y135-G268 WeakPolarHBondContact OH-CA 3.4Å; I146-G268 WeakPolarHBondContact CD1-O 3.45Å; G245-G268 CarbonylContact C-O 3.54Å; G245-G268 WeakPolarHBondContact CA-O 3.19Å; I246-G268 PolarHBondContact N-O 3.2Å; I246-G268 PolarHBondContact O-N 3.18Å
269H89.4Confident70.6Confident2 Ų256.7 Ų56.71%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-75126.7-179.7-175-72.2000112Y135 I146 Y170 A171 K214 A271 T272Y135-H269 PolarHBondContact OH-N 2.94Å; I146-H269 VanDerWaalsContact CD1-O 3.28Å; I146-H269 WeakPolarHBondContact CD1-O 3.19Å; Y170-H269 VanDerWaalsContact CA-CE1 3.45Å; Y170-H269 WeakPolarHBondContact CA-CE1 3.39Å; Y170-H269 WeakPolarHBondContact CA-NE2 2.98Å; Y170-H269 AromaticContact CD1-ND1 3.88Å; Y170-H269 PolarHBondContact N-CE1 2.98Å; Y170-H269 VanDerWaalsContact N-CE1 3.3Å; A171-H269 PolarHBondContact N-NE2 2.91Å; A171-H269 PolarHBondContact O-NE2 3.26Å; K214-H269 WeakPolarHBondContact O-CB 3.5Å; H269-A271 VanDerWaalsContact C-N 3.29Å; H269-A271 VanDerWaalsContact CE1-CB 3.49Å; H269-A271 WeakPolarHBondContact CE1-CB 3.46Å; H269-A271 WeakPolarHBondContact ND1-CB 3.17Å; H269-A271 PolarHBondContact ND1-N 2.7Å; H269-A271 VanDerWaalsContact ND1-N 3.13Å; H269-A271 PolarHBondContact O-N 3.43Å; H269-A271 VanDerWaalsContact O-N 3.11Å; H269-T272 WeakPolarHBondContact O-CB 3.23Å; H269-T272 WeakPolarHBondContact O-CG2 3.36Å; H269-T272 PolarHBondContact O-N 3.18Å; H269-T272 PolarHBondContact O-OG1 3.13Å
270V88.1Confident71.4Confident0 Ų049.1 Ų49.10%026%0.259CS..THydrogen-bonded Turntrans-52.3-38.6-171.8-70.70000115L86 V166 Q243 F244 I246 T272 V273L86-V270 HydrophobicContact CD1-CB 4.31Å; L86-V270 HydrophobicContact CD1-CG1 4.03Å; V166-V270 HydrophobicContact CG1-CB 3.84Å; V166-V270 HydrophobicContact CG1-CG1 4.43Å; V166-V270 HydrophobicContact CG1-CG2 3.42Å; V166-V270 VanDerWaalsContact CG1-CG2 3.42Å; Q243-V270 HydrophobicContact CG-CG1 3.85Å; F244-V270 WeakPolarHBondContact O-CG2 3.43Å; F244-V270 PolarHBondContact O-N 2.72Å; F244-V270 VanDerWaalsContact O-N 3.14Å; I246-V270 HydrophobicContact CG1-CG1 4.33Å; V270-T272 PolarHBondContact O-N 3.44Å; V270-T272 VanDerWaalsContact O-N 3.09Å; V270-V273 PolarHBondContact O-N 2.91Å
271A81.3Confident71.4Confident8 Ų845.3 Ų45.37%0.06625%0.25CC..Hα-helixtrans-57-27.2-179.500000114.1V169 H269 V273 L274 D275V169-A271 HydrophobicContact CB-CB 4.35Å; V169-A271 HydrophobicContact CG1-CB 4.25Å; V169-A271 HydrophobicContact CG2-CB 4.37Å; H269-A271 VanDerWaalsContact C-N 3.29Å; H269-A271 VanDerWaalsContact CE1-CB 3.49Å; H269-A271 WeakPolarHBondContact CE1-CB 3.46Å; H269-A271 WeakPolarHBondContact ND1-CB 3.17Å; H269-A271 PolarHBondContact ND1-N 2.7Å; H269-A271 VanDerWaalsContact ND1-N 3.13Å; H269-A271 PolarHBondContact O-N 3.43Å; H269-A271 VanDerWaalsContact O-N 3.11Å; A271-V273 PolarHBondContact O-N 3.08Å; A271-V273 VanDerWaalsContact O-N 3.17Å; A271-L274 PolarHBondContact O-N 3.22Å; A271-L274 VanDerWaalsContact O-N 3.13Å; A271-D275 PolarHBondContact O-N 2.74Å; A271-D275 VanDerWaalsContact O-N 3.11Å
272T75.7Confident71.4Confident12 Ų1244.8 Ų44.87%0.07425%0.248CC..Hα-helixtrans-62.8-23.5-176.157.90000114.2M133 Y135 Y170 H269 V270M133-T272 WeakPolarHBondContact CE-O 3.31Å; M133-T272 WeakPolarHBondContact CG-O 3.5Å; Y135-T272 HydrophobicContact CE1-CG2 4.07Å; Y135-T272 PolarHBondContact OH-OG1 2.96Å; Y170-T272 HydrophobicContact CE1-CG2 3.88Å; H269-T272 WeakPolarHBondContact O-CB 3.23Å; H269-T272 WeakPolarHBondContact O-CG2 3.36Å; H269-T272 PolarHBondContact O-N 3.18Å; H269-T272 PolarHBondContact O-OG1 3.13Å; V270-T272 PolarHBondContact O-N 3.44Å; V270-T272 VanDerWaalsContact O-N 3.09Å
273V78.3Confident72Confident0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-99-21174.782.50000113.6L86 R131 M133 I146 L148 V270 A271 F284L86-V273 HydrophobicContact CD2-CG1 3.53Å; R131-V273 PolarHBondContact NH1-O 2.92Å; M133-V273 HydrophobicContact CB-CB 4.42Å; M133-V273 HydrophobicContact CB-CG2 4.26Å; I146-V273 HydrophobicContact CB-CB 4.07Å; I146-V273 HydrophobicContact CB-CG1 4.43Å; I146-V273 HydrophobicContact CG2-CB 3.57Å; I146-V273 HydrophobicContact CG2-CG1 3.44Å; I146-V273 VanDerWaalsContact CG2-CG1 3.44Å; I146-V273 HydrophobicContact CG2-CG2 4.1Å; L148-V273 HydrophobicContact CB-CG1 4.31Å; L148-V273 HydrophobicContact CB-CG2 4.02Å; V270-V273 PolarHBondContact O-N 2.91Å; A271-V273 PolarHBondContact O-N 3.08Å; A271-V273 VanDerWaalsContact O-N 3.17Å; V273-F284 HydrophobicContact CG2-CE1 4.21Å
274L77.5Confident72.4Confident60 Ų6048 Ų4831%0.31426%0.256SS..Hα-helixtrans-86.6-14.2-177.2-63.7-179000112.6I69 L86 L148 V166 A271 K276I69-L274 HydrophobicContact CD1-CD2 4.14Å; L86-L274 HydrophobicContact CD2-CD2 4.38Å; L148-L274 HydrophobicContact CD2-CD2 4.39Å; V166-L274 HydrophobicContact CB-CD1 4.43Å; V166-L274 HydrophobicContact CG1-CD1 3.75Å; A271-L274 PolarHBondContact O-N 3.22Å; A271-L274 VanDerWaalsContact O-N 3.13Å; L274-K276 PolarHBondContact O-N 3.03Å
275D68.6Low72.5Confident48 Ų4849.6 Ų49.626%0.25726%0.264SS..  trans-54.9133.5171.6-172.516.4000112R131 A271 S277 N280R131-D275 PolarHBondContact NH2-O 3.22Å; R131-D275 VanDerWaalsContact NH2-O 3.12Å; A271-D275 PolarHBondContact O-N 2.74Å; A271-D275 VanDerWaalsContact O-N 3.11Å; D275-S277 WeakPolarHBondContact OD1-CB 3.32Å; D275-S277 PolarHBondContact OD1-N 3.19Å; D275-S277 WeakPolarHBondContact OD2-CB 3.36Å; D275-N280 PolarHBondContact OD2-ND2 2.85Å
276K62Low72.4Confident187 Ų18752.2 Ų52.281%0.81328%0.277SS*.  trans-112.41.3178.2-64-178.5-176.61750112.2L274L274-K276 PolarHBondContact O-N 3.03Å
277S59.1Low72.2Confident48 Ų4853.4 Ų53.434%0.33628%0.283SS..  trans-52.9128178.8179.80000111.4D275 A279 N280 A281D275-S277 WeakPolarHBondContact OD1-CB 3.32Å; D275-S277 PolarHBondContact OD1-N 3.19Å; D275-S277 WeakPolarHBondContact OD2-CB 3.36Å; S277-A279 PolarHBondContact O-N 3.26Å; S277-A279 VanDerWaalsContact O-N 3.14Å; S277-N280 PolarHBondContact O-N 3.07Å; S277-A281 PolarHBondContact O-N 3.27Å
278P48.3Very low71.3Confident106 Ų10656.2 Ų56.269%0.68831%0.311SS*.Hα-helixtrans-54.1-33.3177.6-27.835.5000113.3N280 A281P278-N280 PolarHBondContact O-N 2.88Å; P278-A281 VanDerWaalsContact O-CB 3.31Å; P278-A281 WeakPolarHBondContact O-CB 3.41Å; P278-A281 PolarHBondContact O-N 3.02Å; P278-A281 VanDerWaalsContact O-N 3.13Å
279A50.3Low70.1Confident78 Ų7859 Ų5965%0.64533%0.326SS*.Hα-helixtrans-61-26.6178.300000113.7S277S277-A279 PolarHBondContact O-N 3.26Å; S277-A279 VanDerWaalsContact O-N 3.14Å
280N58.9Low68.1Low34 Ų3464.4 Ų64.418%0.18236%0.364CS..Hα-helixtrans-97.6-7.8178.5-80.6-37.4000113.6M133 D275 S277 P278 F282 R283 F284M133-N280 HydrophobicContact CE-CB 4.14Å; D275-N280 PolarHBondContact OD2-ND2 2.85Å; S277-N280 PolarHBondContact O-N 3.07Å; P278-N280 PolarHBondContact O-N 2.88Å; N280-F282 VanDerWaalsContact C-N 3.28Å; N280-F282 PolarHBondContact O-N 3.29Å; N280-R283 WeakPolarHBondContact O-CB 3.24Å; N280-R283 PolarHBondContact O-N 2.62Å; N280-R283 WeakPolarHBondContact OD1-CD 3.46Å; N280-R283 PolarHBondContact OD1-NE 3.41Å; N280-F284 HydrophobicContact CB-CE2 4.15Å; N280-F284 WeakPolarHBondContact O-CD2 3.49Å; N280-F284 VanDerWaalsContact O-CE2 3.26Å; N280-F284 WeakPolarHBondContact O-CE2 3.42Å
281A51.5Low65.8Low52 Ų5271.5 Ų71.543%0.4340%0.397SS..Hα-helixtrans-53.3-42.4-176.800000113.2S277 P278 R283 F284S277-A281 PolarHBondContact O-N 3.27Å; P278-A281 VanDerWaalsContact O-CB 3.31Å; P278-A281 WeakPolarHBondContact O-CB 3.41Å; P278-A281 PolarHBondContact O-N 3.02Å; P278-A281 VanDerWaalsContact O-N 3.13Å; A281-R283 PolarHBondContact O-N 2.94Å; A281-F284 PolarHBondContact O-N 3.49Å
282F50Low63.3Low199 Ų19980.1 Ų80.187%0.87343%0.433SS*.THydrogen-bonded Turntrans-70.1-10.3180-59.7-77.6000115.1N280N280-F282 VanDerWaalsContact C-N 3.28Å; N280-F282 PolarHBondContact O-N 3.29Å
283R70.2Confident61.3Low136 Ų13685.4 Ų85.451%0.51347%0.468SS..THydrogen-bonded Turntrans-87.8-17.5179.6-59-172.7-177-158.60.9113.2M133 P134 N280 A281M133-R283 HydrophobicContact CE-CB 4.17Å; M133-R283 HydrophobicContact SD-CB 3.72Å; P134-R283 WeakPolarHBondContact CD-O 3.39Å; N280-R283 WeakPolarHBondContact O-CB 3.24Å; N280-R283 PolarHBondContact O-N 2.62Å; N280-R283 WeakPolarHBondContact OD1-CD 3.46Å; N280-R283 PolarHBondContact OD1-NE 3.41Å; A281-R283 PolarHBondContact O-N 2.94Å
284F77.2Confident59Low22 Ų2291 Ų9110%0.09651%0.507CS..  trans-79.3136.1-175.1-67.5-87.2000112.5R131 I132 M133 V273 N280 A281R131-F284 HydrophobicContact CG-CB 4.12Å; R131-F284 HydrophobicContact CG-CD1 3.57Å; R131-F284 HydrophobicContact CG-CE1 4.27Å; R131-F284 HydrophobicContact CG-CG 4.08Å; R131-F284 VanDerWaalsContact CZ-CE1 3.49Å; I132-F284 CarbonylContact O-C 3.41Å; I132-F284 WeakPolarHBondContact O-CA 3.44Å; M133-F284 HydrophobicContact CB-CD1 4.16Å; M133-F284 HydrophobicContact CB-CE1 3.94Å; M133-F284 HydrophobicContact CE-CD1 4.3Å; M133-F284 HydrophobicContact CE-CD2 4.2Å; M133-F284 HydrophobicContact CE-CE1 3.75Å; M133-F284 HydrophobicContact CE-CE2 3.59Å; M133-F284 HydrophobicContact CE-CZ 3.34Å; V273-F284 HydrophobicContact CG2-CE1 4.21Å; N280-F284 HydrophobicContact CB-CE2 4.15Å; N280-F284 WeakPolarHBondContact O-CD2 3.49Å; N280-F284 VanDerWaalsContact O-CE2 3.26Å; N280-F284 WeakPolarHBondContact O-CE2 3.42Å; A281-F284 PolarHBondContact O-N 3.49Å
285I81.2Confident56.9Low50 Ų5093.2 Ų93.226%0.25653%0.527SS..EExtended strand (participates in β ladder)trans-95.3107.5169-56.9173.8000107.7W100 I132 L287W100-I285 HydrophobicContact CH2-CD1 4.39Å; W100-I285 HydrophobicContact CZ2-CD1 3.47Å; W100-I285 VanDerWaalsContact CZ2-CD1 3.47Å; I132-I285 HydrophobicContact CB-CB 4.28Å; I132-I285 PolarHBondContact N-O 3.34Å; I132-I285 PolarHBondContact O-N 2.91Å; I285-L287 HydrophobicContact CG2-CD2 4.2Å
286E85Confident55.2Low55 Ų5596 Ų9626%0.25755%0.551SS.*EExtended strand (participates in β ladder)trans-95135.6175.6-67.6-168.8175.700112.1I130 R131 L289 Q291I130-E286 CarbonylContact O-C 3.51Å; I130-E286 WeakPolarHBondContact O-CA 3.05Å; R131-E286 HydrophobicContact CB-CG 4.4Å; R131-E286 HydrophobicContact CG-CG 4.21Å; E286-L289 HydrophobicContact CB-CB 4.47Å; E286-Q291 PolarHBondContact OE1-NE2 3.18Å; E286-Q291 WeakPolarHBondContact OE2-CG 3.26Å; E286-Q291 PolarHBondContact OE2-NE2 2.84Å; E286-Q291 VanDerWaalsContact OE2-NE2 3.11Å
287L83.2Confident53.9Low25 Ų2597 Ų9713%0.13156%0.555CS.*EExtended strand (participates in β ladder)trans-124.7110.3179.4-52.8173.2000108.5F92 W100 P103 G129 I130 I132 I285 L289F92-L287 HydrophobicContact CB-CD1 4.42Å; W100-L287 HydrophobicContact CB-CD1 3.9Å; W100-L287 HydrophobicContact CB-CD2 3.71Å; W100-L287 HydrophobicContact CB-CG 4.5Å; W100-L287 HydrophobicContact CE3-CD1 4.48Å; W100-L287 HydrophobicContact CG-CD1 4.29Å; W100-L287 HydrophobicContact CG-CD2 3.99Å; P103-L287 HydrophobicContact CG-CB 4.2Å; P103-L287 WeakPolarHBondContact CG-O 3.46Å; G129-L287 CarbonylContact C-O 2.99Å; G129-L287 VanDerWaalsContact CA-O 3.22Å; G129-L287 WeakPolarHBondContact CA-O 2.99Å; I130-L287 HydrophobicContact CB-CB 4.21Å; I130-L287 HydrophobicContact CB-CD1 4.27Å; I130-L287 HydrophobicContact CD1-CD1 4.19Å; I130-L287 PolarHBondContact N-O 3.4Å; I130-L287 PolarHBondContact O-N 3.02Å; I132-L287 HydrophobicContact CD1-CD1 4Å; I285-L287 HydrophobicContact CG2-CD2 4.2Å; L287-L289 VanDerWaalsContact C-N 3.3Å; L287-L289 PolarHBondContact O-N 3.05Å
288G73.3Confident52.8Low58 Ų58104.7 Ų104.760%0.59858%0.582SS**SBendtrans784.5176.500000116.2
289L62.8Low52.3Low59 Ų59104.5 Ų104.531%0.30958%0.584SS.*  trans-92.8126.9161.8-60.6175.7000107.9E286 L287E286-L289 HydrophobicContact CB-CB 4.47Å; L287-L289 VanDerWaalsContact C-N 3.3Å; L287-L289 PolarHBondContact O-N 3.05Å
290S47.2Very low51.8Low116 Ų116105.6 Ų105.681%0.81159%0.587SS**  trans-10091.7175.9-61.40000109.2K292S290-K292 PolarHBondContact O-N 3.15Å
291Q40.3Very low50.5Low148 Ų148108.2 Ų108.269%0.69262%0.622SS**  trans-61.7120.3162.9-63.4-17112.600108E286E286-Q291 PolarHBondContact OE1-NE2 3.18Å; E286-Q291 WeakPolarHBondContact OE2-CG 3.26Å; E286-Q291 PolarHBondContact OE2-NE2 2.84Å; E286-Q291 VanDerWaalsContact OE2-NE2 3.11Å
292K28Very low49.9Very low190 Ų190110.9 Ų110.983%0.82664%0.637SS**  trans-118.7100.2-175.8-168.5-179.6-173.7-177.70108.3S290 S294S290-K292 PolarHBondContact O-N 3.15Å; K292-S294 PolarHBondContact O-N 3Å
293P34.6Very low49.2Very low122 Ų122106.9 Ų106.979%0.79263%0.634SS**  trans-56.8135.8172.7-23.234.1000110.1
294S30.4Very low47.7Very low118 Ų118110 Ų11083%0.82565%0.654SS**  trans-95.9109.2-175.352.30000111.8K292K292-S294 PolarHBondContact O-N 3Å
295S32.1Very low45.6Very low106 Ų106117.8 Ų117.874%0.74169%0.691SS**  trans-159.4149.5154.245.50000111.9
296S33.9Very low43.4Very low108 Ų108125.2 Ų125.276%0.75572%0.721SS**  trans33.189.4161.648.90000118.7
297K34.1Very low41Very low206 Ų206128.2 Ų128.290%0.89675%0.746SS**  -64.7135.4126.2-70.9-179.6177.4-178.10107.7
298K35.9Very low38.7Very low210 Ų210136.1 Ų136.191%0.91378%0.782SS**  trans-137.1158.8139.8-88.1-162173.4-174.90108.1
299S37.8Very low37.1Very low103 Ų103142.8 Ų142.872%0.7280%0.797SS**  trans-134.1177.8-154.7540000112.2
300S39.1Very low35.7Very low101 Ų101147.2 Ų147.271%0.70682%0.821SS**  trans50.599.314754.50000116.6
301G33.1Very low35Very low89 Ų89147.7 Ų147.792%0.91882%0.823SS**  trans-78.5129.9163.100000111.4
302S39.1Very low34.9Very low107 Ų107150 Ų15075%0.74883%0.831SS**  trans-151.1115.1156.154.20000107.7
303S34.8Very low35.5Very low116 Ų116146.9 Ų146.981%0.81183%0.83SS**  trans-4.2119.9166.751.50000119.1
304E37.9Very low35.5Very low201 Ų201146.1 Ų146.194%0.93983%0.828SS**  -160.2156.6128.2-115.2172-170.200110.3
305E33.3Very low36Very low186 Ų186146.2 Ų146.287%0.86983%0.826SS**  trans-94134.3-162.8-61.6176.4103.600114.7
306K35.5Very low37.1Very low205 Ų205152.3 Ų152.389%0.89183%0.832SS**  trans-168.8158.7135.9-103.9148.5-171.8171.30111.5
307P35.4Very low38.2Very low118 Ų118155.2 Ų155.277%0.76683%0.831SS**  trans-98.5170.7-140.136.2-37.4000116.8
308H34.5Very low39.6Very low191 Ų191149.1 Ų149.188%0.88481%0.813SS**  trans-40.1142.1178.8-65.6-103.5000116.6
309Q38.5Very low41.2Very low198 Ų198141.4 Ų141.493%0.92578%0.783SS**  trans-139.3128.9146.4-156.8163.116.700110.4
310D33.3Very low43.3Very low153 Ų153142.3 Ų142.382%0.81877%0.771SS**  trans-77.1143.2-169-124.8-39.4000113
311C33Very low45.7Very low126 Ų126139.1 Ų139.185%0.85175%0.749SS**  trans-144.7106.9169.9-98.90000111.1
312K38.1Very low48.3Very low196 Ų196134.9 Ų134.985%0.85271%0.705SS**PPolyproline II helixtrans-60149.8-175.4-73.8175.1176.9171.70113S314K312-S314 PolarHBondContact O-N 2.93Å
313P41.2Very low50.7Low124 Ų124131.4 Ų131.481%0.80568%0.678SS**PPolyproline II helixtrans-60.7136.1169.127.4-34.8000110.5
314S33.5Very low53.3Low106 Ų106126 Ų12674%0.74164%0.64SS**PPolyproline II helixtrans-68.3143.6-178.556.40000111.9K312 R316K312-S314 PolarHBondContact O-N 2.93Å; S314-R316 PolarHBondContact O-N 3.5Å
315P42.2Very low55.6Low121 Ų121119.7 Ų119.779%0.78662%0.622SS**PPolyproline II helixtrans-64.3130.2-173.723.9-33.4000111.6K317P315-K317 PolarHBondContact O-N 3.41Å
316R54.1Low57.9Low234 Ų234111.6 Ų111.688%0.88359%0.586SS**  trans-61.5109.4175.7-67.9-178.8176.5-167.2-2.5109.1S314S314-R316 PolarHBondContact O-N 3.5Å
317K57.6Low60.3Low169 Ų169104.3 Ų104.374%0.73555%0.554SS**  trans-54.7131.3176.8-66.7-169.1177.7-171.50110.3P315P315-K317 PolarHBondContact O-N 3.41Å
318P64.6Low62.5Low78 Ų78102.2 Ų102.251%0.50655%0.554SS.*  trans-62.2153179.725.6-34.3000111.7Y320P318-Y320 HydrophobicContact CB-CE2 4.37Å; P318-Y320 HydrophobicContact CG-CE2 3.86Å; P318-Y320 WeakPolarHBondContact CG-OH 3.42Å
319V69Low64.8Low47 Ų4796.7 Ų96.729%0.28553%0.526SS..  trans-104.2112.9176.9-177.20000108.2T326 R449 V454V319-T326 HydrophobicContact CB-CG2 4.5Å; V319-T326 HydrophobicContact CG1-CG2 4.46Å; V319-T326 HydrophobicContact CG2-CG2 4.18Å; V319-R449 HydrophobicContact CG2-CB 4.41Å; V319-V454 HydrophobicContact CG1-CB 4.41Å; V319-V454 HydrophobicContact CG1-CG1 3.69Å
320Y82.4Confident67.1Low122 Ų12291.5 Ų91.548%0.47851%0.507SS..  trans-91.8156.9174.5-59.8-71.3000111.2P318 R533P318-Y320 HydrophobicContact CB-CE2 4.37Å; P318-Y320 HydrophobicContact CG-CE2 3.86Å; P318-Y320 WeakPolarHBondContact CG-OH 3.42Å; Y320-R533 VanDerWaalsContact CB-NH2 3.32Å
321C88.1Confident69.7Low34 Ų3484.3 Ų84.323%0.2347%0.469CS..THydrogen-bonded Turntrans-68.2151.9169.865.10000111D323 I366 P455 C457 R533C321-D323 PolarHBondContact O-N 3.27Å; C321-I366 HydrophobicContact CB-CD1 4.17Å; C321-P455 CarbonylContact C-O 3.52Å; C321-P455 WeakPolarHBondContact CA-O 3.35Å; C321-P455 HydrophobicContact CB-CG 4.44Å; C321-C457 HydrophobicContact CB-CB 4Å; C321-C457 WeakPolarHBondContact CB-SG 3.21Å; C321-C457 PolarHBondContact O-SG 3.13Å; C321-C457 WeakPolarHBondContact SG-CA 3.22Å; C321-C457 WeakPolarHBondContact SG-CB 3.2Å; C321-C457 CovalentContact SG-SG 2.05Å; C321-C457 PolarHBondContact SG-SG 3.1Å; C321-R533 PolarHBondContact O-NE 3.25Å; C321-R533 VanDerWaalsContact O-NE 3.14Å
322G88.4Confident72.1Confident0 Ų080.7 Ų80.70%044%0.439CS..THydrogen-bonded Turntrans63.211.617400000115.3V331 P455 R533 A534G322-V331 WeakPolarHBondContact O-CG2 3.22Å; G322-P455 PolarHBondContact N-O 3.09Å; G322-R533 WeakPolarHBondContact O-CA 3.21Å; G322-A534 WeakPolarHBondContact CA-O 3.47Å; G322-A534 PolarHBondContact O-N 2.84Å
323D89Confident74.2Confident35 Ų3572 Ų7219%0.18740%0.403CS..  trans-124.4126.4-171.1174.34.6000109.7C321 A325C321-D323 PolarHBondContact O-N 3.27Å; D323-A325 WeakPolarHBondContact OD1-CB 3.4Å; D323-A325 PolarHBondContact OD1-N 3Å
324T89.3Confident76.3Confident1 Ų166.8 Ų66.81%0.00637%0.368CS..  trans-109.47-177.859.40000113.8T326 F327 R329 T330 V331 Y334 P345 W346 V454T324-T326 PolarHBondContact O-N 2.9Å; T324-T326 VanDerWaalsContact O-N 3.09Å; T324-F327 WeakPolarHBondContact O-CA 3.45Å; T324-F327 PolarHBondContact O-N 2.74Å; T324-R329 CarbonylContact C-O 3.59Å; T324-R329 WeakPolarHBondContact CB-O 3.44Å; T324-R329 PolarHBondContact OG1-O 2.85Å; T324-T330 VanDerWaalsContact OG1-C 3.24Å; T324-T330 PolarHBondContact OG1-O 2.96Å; T324-V331 HydrophobicContact CG2-CG2 4.26Å; T324-V331 PolarHBondContact OG1-N 3.15Å; T324-Y334 HydrophobicContact CG2-CD2 4.37Å; T324-Y334 HydrophobicContact CG2-CE2 3.72Å; T324-P345 HydrophobicContact CG2-CG 3.59Å; T324-W346 HydrophobicContact CG2-CH2 4.42Å; T324-W346 HydrophobicContact CG2-CZ3 4.16Å; T324-V454 HydrophobicContact CG2-CG2 4.19Å
325A85.8Confident78.5Confident69 Ų6962.8 Ų62.857%0.5734%0.339SS*.G310 helixtrans-58.8-24.3176.800000112.3D323 F327 G328 R329D323-A325 WeakPolarHBondContact OD1-CB 3.4Å; D323-A325 PolarHBondContact OD1-N 3Å; A325-F327 PolarHBondContact O-N 3.3Å; A325-G328 PolarHBondContact O-N 2.9Å; A325-R329 PolarHBondContact N-O 2.84Å
326T83.4Confident79.6Confident16 Ų1659.9 Ų59.910%0.09832%0.319CS..G310 helixtrans-62.3-16.9170.655.90000114.3V319 T324 R449V319-T326 HydrophobicContact CB-CG2 4.5Å; V319-T326 HydrophobicContact CG1-CG2 4.46Å; V319-T326 HydrophobicContact CG2-CG2 4.18Å; T324-T326 PolarHBondContact O-N 2.9Å; T324-T326 VanDerWaalsContact O-N 3.09Å; T326-R449 VanDerWaalsContact O-CZ 3.25Å; T326-R449 PolarHBondContact O-NE 3.29Å; T326-R449 PolarHBondContact O-NH2 3.13Å
327F84Confident79.8Confident53 Ų5351.9 Ų51.923%0.23231%0.309CS..G310 helixtrans-105.28.4171.5-58-52.8000113.1T324 A325 R329 P345 R449 V454T324-F327 WeakPolarHBondContact O-CA 3.45Å; T324-F327 PolarHBondContact O-N 2.74Å; A325-F327 PolarHBondContact O-N 3.3Å; F327-R329 VanDerWaalsContact C-N 3.29Å; F327-R329 PolarHBondContact O-N 2.61Å; F327-P345 HydrophobicContact CE2-CB 3.91Å; F327-P345 HydrophobicContact CE2-CG 4.24Å; F327-R449 HydrophobicContact CE1-CG 3.85Å; F327-R449 HydrophobicContact CZ-CG 4.36Å; F327-V454 HydrophobicContact CE2-CB 4.43Å; F327-V454 HydrophobicContact CE2-CG1 3.73Å; F327-V454 HydrophobicContact CE2-CG2 4.06Å; F327-V454 HydrophobicContact CZ-CG1 3.92Å
328G83.1Confident79.6Confident74 Ų7448.3 Ų48.376%0.76330%0.298SS*.THydrogen-bonded Turntrans68.227.3-176.200000113.6A325A325-G328 PolarHBondContact O-N 2.9Å
329R82.8Confident79.3Confident75 Ų7547.7 Ų47.728%0.28329%0.291SS..  trans-135.5141.6-175.4-72-175.9176.3-168.71111.3T324 A325 F327 Y334 D342T324-R329 CarbonylContact C-O 3.59Å; T324-R329 WeakPolarHBondContact CB-O 3.44Å; T324-R329 PolarHBondContact OG1-O 2.85Å; A325-R329 PolarHBondContact N-O 2.84Å; F327-R329 VanDerWaalsContact C-N 3.29Å; F327-R329 PolarHBondContact O-N 2.61Å; R329-Y334 HydrophobicContact CB-CE2 4.14Å; R329-D342 IonicContact CZ-OD2 3.14Å; R329-D342 IonicContact NH1-OD2 3.21Å; R329-D342 PolarHBondContact NH1-OD2 2.9Å; R329-D342 IonicContact NH2-OD2 2.71Å; R329-D342 PolarHBondContact NH2-OD2 3.07Å; R329-D342 VanDerWaalsContact NH2-OD2 3.08Å
330T86.5Confident79Confident89 Ų8947.1 Ų47.155%0.54629%0.291SS..  trans-73.2156.3164.959.40000110.4T324 E332 S333T324-T330 VanDerWaalsContact OG1-C 3.24Å; T324-T330 PolarHBondContact OG1-O 2.96Å; T330-E332 VanDerWaalsContact C-N 3.27Å; T330-E332 WeakPolarHBondContact CB-OE2 3.49Å; T330-E332 PolarHBondContact O-N 3.13Å; T330-S333 WeakPolarHBondContact O-CB 3.38Å; T330-S333 PolarHBondContact O-N 3.45Å; T330-S333 PolarHBondContact O-OG 2.89Å
331V87.5Confident78.2Confident2 Ų244.3 Ų44.31%0.01228%0.282CS..G310 helixtrans-66.7-36.9-178.6-174.10000110.6G322 T324 S333 Y334 F344 W346 L529 G532 A534G322-V331 WeakPolarHBondContact O-CG2 3.22Å; T324-V331 HydrophobicContact CG2-CG2 4.26Å; T324-V331 PolarHBondContact OG1-N 3.15Å; V331-S333 PolarHBondContact O-N 2.97Å; V331-Y334 PolarHBondContact O-N 2.91Å; V331-Y334 VanDerWaalsContact O-N 3.08Å; V331-F344 HydrophobicContact CG1-CD1 4.4Å; V331-F344 HydrophobicContact CG1-CE1 3.91Å; V331-W346 HydrophobicContact CG1-CH2 3.78Å; V331-W346 HydrophobicContact CG1-CZ2 4.3Å; V331-L529 HydrophobicContact CB-CD2 4.32Å; V331-L529 HydrophobicContact CG1-CD1 4.42Å; V331-L529 HydrophobicContact CG1-CD2 3.46Å; V331-L529 VanDerWaalsContact CG1-CD2 3.46Å; V331-G532 WeakPolarHBondContact CG2-O 3.36Å; V331-A534 HydrophobicContact CG1-CB 4.08Å
332E83.3Confident77.8Confident49 Ų4945.6 Ų45.623%0.22929%0.287CS..G310 helixtrans-57.9-28.3176.6-64.565.3-144.200111.6T330 Y334 V335 T336 L529T330-E332 VanDerWaalsContact C-N 3.27Å; T330-E332 WeakPolarHBondContact CB-OE2 3.49Å; T330-E332 PolarHBondContact O-N 3.13Å; E332-Y334 PolarHBondContact O-N 2.91Å; E332-V335 CarbonylContact O-C 3.43Å; E332-V335 VanDerWaalsContact O-CG2 3.24Å; E332-V335 WeakPolarHBondContact O-CG2 3.43Å; E332-V335 PolarHBondContact O-N 3.48Å; E332-T336 PolarHBondContact O-N 2.58Å; E332-T336 PolarHBondContact O-OG1 3.41Å; E332-L529 HydrophobicContact CG-CD1 4.04Å
333S83Confident77.8Confident13 Ų1346.2 Ų46.29%0.09129%0.29CS..G310 helixtrans-69.1-16178.576.30000114T330 V331 N339 A340T330-S333 WeakPolarHBondContact O-CB 3.38Å; T330-S333 PolarHBondContact O-N 3.45Å; T330-S333 PolarHBondContact O-OG 2.89Å; V331-S333 PolarHBondContact O-N 2.97Å; S333-N339 CarbonylContact O-C 3.55Å; S333-N339 WeakPolarHBondContact O-CB 3.42Å; S333-A340 PolarHBondContact O-N 2.91Å
334Y85.2Confident77.9Confident16 Ų1644.5 Ų44.56%0.06328%0.281CS..G310 helixtrans-79.8-7171.3-67.3-97.1000112.8T324 R329 V331 E332 A340 D342 M343 F344 P345T324-Y334 HydrophobicContact CG2-CD2 4.37Å; T324-Y334 HydrophobicContact CG2-CE2 3.72Å; R329-Y334 HydrophobicContact CB-CE2 4.14Å; V331-Y334 PolarHBondContact O-N 2.91Å; V331-Y334 VanDerWaalsContact O-N 3.08Å; E332-Y334 PolarHBondContact O-N 2.91Å; Y334-A340 WeakPolarHBondContact O-CA 3.48Å; Y334-D342 HydrophobicContact CD1-CB 4.08Å; Y334-D342 HydrophobicContact CE1-CB 4.25Å; Y334-M343 WeakPolarHBondContact CD1-O 3.31Å; Y334-F344 HydrophobicContact CG-CD1 4.14Å; Y334-P345 HydrophobicContact CE1-CG 4.44Å
335V78.7Confident78.1Confident21 Ų2144.8 Ų44.813%0.12728%0.282CS..THydrogen-bonded Turntrans-132.5-4.8-178.9-70.40000113.9E332 F344 Y472 E485 L529E332-V335 CarbonylContact O-C 3.43Å; E332-V335 VanDerWaalsContact O-CG2 3.24Å; E332-V335 WeakPolarHBondContact O-CG2 3.43Å; E332-V335 PolarHBondContact O-N 3.48Å; V335-F344 HydrophobicContact CG1-CE1 3.97Å; V335-F344 HydrophobicContact CG1-CE2 4.06Å; V335-F344 HydrophobicContact CG1-CZ 3.44Å; V335-F344 VanDerWaalsContact CG1-CZ 3.44Å; V335-Y472 HydrophobicContact CB-CD1 4.22Å; V335-Y472 HydrophobicContact CB-CE1 3.65Å; V335-Y472 HydrophobicContact CB-CE2 4.4Å; V335-Y472 HydrophobicContact CG1-CD1 3.73Å; V335-Y472 HydrophobicContact CG1-CD2 4.38Å; V335-Y472 HydrophobicContact CG1-CE1 3.71Å; V335-Y472 HydrophobicContact CG1-CE2 4.37Å; V335-Y472 HydrophobicContact CG1-CG 4.09Å; V335-Y472 HydrophobicContact CG2-CE1 4.04Å; V335-Y472 HydrophobicContact CG2-CE2 3.94Å; V335-E485 HydrophobicContact CG1-CB 3.96Å; V335-E485 HydrophobicContact CG1-CG 4.3Å; V335-L529 HydrophobicContact CG2-CD1 4.07Å
336T66.6Low78.3Confident61 Ų6141.5 Ų41.537%0.37426%0.255SS..SBendtrans-130.7148.6176.363.40000112E332E332-T336 PolarHBondContact O-N 2.58Å; E332-T336 PolarHBondContact O-OG1 3.41Å
337G57.6Low78.7Confident66 Ų6640.7 Ų40.768%0.6825%0.251SS*.SBendtrans66.3-165.9179.400000114.5N339 A340G337-N339 PolarHBondContact O-N 3.28Å; G337-A340 VanDerWaalsContact O-CB 3.3Å; G337-A340 WeakPolarHBondContact O-CB 3.45Å; G337-A340 PolarHBondContact O-N 3.46Å; G337-A340 VanDerWaalsContact O-N 3.17Å
338N53Low79Confident93 Ų9338.2 Ų38.250%0.49724%0.24SC..G310 helixtrans-64.1-23.7-175.8-70.1-22.5000113.9A340N338-A340 PolarHBondContact O-N 3.18Å
339N58.7Low79.3Confident65 Ų6534.8 Ų34.835%0.34820%0.204SC..G310 helixtrans-74.5-13.3179.4-73.2-9000112.7S333 G337 Q341 D342S333-N339 CarbonylContact O-C 3.55Å; S333-N339 WeakPolarHBondContact O-CB 3.42Å; G337-N339 PolarHBondContact O-N 3.28Å; N339-Q341 PolarHBondContact O-N 2.82Å; N339-D342 PolarHBondContact O-N 3.02Å
340A63.1Low79.5Confident36 Ų3631.3 Ų31.330%0.29819%0.191SC..G310 helixtrans-6713.5174.700000115.1S333 Y334 G337 N338S333-A340 PolarHBondContact O-N 2.91Å; Y334-A340 WeakPolarHBondContact O-CA 3.48Å; G337-A340 VanDerWaalsContact O-CB 3.3Å; G337-A340 WeakPolarHBondContact O-CB 3.45Å; G337-A340 PolarHBondContact O-N 3.46Å; G337-A340 VanDerWaalsContact O-N 3.17Å; N338-A340 PolarHBondContact O-N 3.18Å
341Q65.7Low79.6Confident63 Ų6327.1 Ų27.129%0.29417%0.165SC..G310 helixtrans-94.7-12.5166.5-58.5-174.331.900112.6N339N339-Q341 PolarHBondContact O-N 2.82Å
342D79.6Confident79.3Confident61 Ų6127.3 Ų27.333%0.32617%0.167SC..SBendtrans-90.2126.7172.8-72-33.8000110R329 Y334 N339R329-D342 IonicContact CZ-OD2 3.14Å; R329-D342 IonicContact NH1-OD2 3.21Å; R329-D342 PolarHBondContact NH1-OD2 2.9Å; R329-D342 IonicContact NH2-OD2 2.71Å; R329-D342 PolarHBondContact NH2-OD2 3.07Å; R329-D342 VanDerWaalsContact NH2-OD2 3.08Å; Y334-D342 HydrophobicContact CD1-CB 4.08Å; Y334-D342 HydrophobicContact CE1-CB 4.25Å; N339-D342 PolarHBondContact O-N 3.02Å
343M88Confident79.2Confident12 Ų1229.6 Ų29.66%0.05918%0.176CC..PPolyproline II helixtrans-62.8147.3172.3167.6-155.484.200110.9Y334 N347 P405 M483Y334-M343 WeakPolarHBondContact CD1-O 3.31Å; M343-N347 HydrophobicContact CE-CB 4.08Å; M343-N347 VanDerWaalsContact CE-O 3.27Å; M343-N347 WeakPolarHBondContact CE-O 3.32Å; M343-N347 HydrophobicContact CG-CB 3.64Å; M343-N347 HydrophobicContact SD-CB 3.74Å; M343-P405 HydrophobicContact CB-CB 3.76Å; M343-M483 HydrophobicContact CB-CB 4.38Å; M343-M483 HydrophobicContact CG-CB 4.05Å; M343-M483 HydrophobicContact CG-SD 4.24Å; M343-M483 HydrophobicContact SD-CB 4.1Å; M343-M483 HydrophobicContact SD-CE 4.4Å; M343-M483 HydrophobicContact SD-CG 4.32Å; M343-M483 HydrophobicContact SD-SD 3.29Å
344F92Very high78.9Confident0 Ų035.1 Ų35.10%020%0.203CC..PPolyproline II helixtrans-55.5140.7175.9-71.5-60.1000112.3V331 Y334 V335 W346 N347 Y472 E485 I527V331-F344 HydrophobicContact CG1-CD1 4.4Å; V331-F344 HydrophobicContact CG1-CE1 3.91Å; Y334-F344 HydrophobicContact CG-CD1 4.14Å; V335-F344 HydrophobicContact CG1-CE1 3.97Å; V335-F344 HydrophobicContact CG1-CE2 4.06Å; V335-F344 HydrophobicContact CG1-CZ 3.44Å; V335-F344 VanDerWaalsContact CG1-CZ 3.44Å; F344-W346 VanDerWaalsContact C-N 3.27Å; F344-W346 HydrophobicContact CB-CD2 4.22Å; F344-W346 HydrophobicContact CB-CG 4.46Å; F344-W346 HydrophobicContact CB-CZ2 3.75Å; F344-W346 VanDerWaalsContact CB-NE1 3.32Å; F344-W346 HydrophobicContact CD1-CH2 4.14Å; F344-W346 AromaticContact CD1-CZ2 3.49Å; F344-W346 HydrophobicContact CD1-CZ2 3.49Å; F344-W346 VanDerWaalsContact CD1-CZ2 3.49Å; F344-W346 HydrophobicContact CD2-CZ2 4.27Å; F344-W346 AromaticContact CD2-NE1 3.9Å; F344-W346 HydrophobicContact CE1-CZ2 4.06Å; F344-W346 AromaticContact CG-CE2 3.81Å; F344-W346 AromaticContact CG-CZ2 3.62Å; F344-W346 HydrophobicContact CG-CZ2 3.62Å; F344-W346 AromaticContact CG-NE1 3.71Å; F344-W346 PolarHBondContact O-N 3.34Å; F344-W346 VanDerWaalsContact O-N 3.14Å; F344-N347 WeakPolarHBondContact O-CB 3.32Å; F344-N347 PolarHBondContact O-N 2.86Å; F344-Y472 HydrophobicContact CZ-CD2 4.38Å; F344-Y472 HydrophobicContact CZ-CG 4.49Å; F344-E485 HydrophobicContact CD2-CB 4.49Å; F344-E485 HydrophobicContact CD2-CG 3.7Å; F344-E485 WeakPolarHBondContact CD2-OE2 3.45Å; F344-E485 HydrophobicContact CE2-CB 4.15Å; F344-E485 HydrophobicContact CE2-CG 3.81Å; F344-E485 HydrophobicContact CG-CG 4.37Å; F344-E485 PolarHBondContact N-OE1 2.77Å; F344-I527 HydrophobicContact CD2-CG1 4.39Å; F344-I527 HydrophobicContact CD2-CG2 4.42Å; F344-I527 HydrophobicContact CE2-CB 4.18Å; F344-I527 HydrophobicContact CE2-CG1 4.44Å; F344-I527 HydrophobicContact CE2-CG2 3.96Å; F344-I527 HydrophobicContact CZ-CG2 4.15Å
345P91.8Very high78.4Confident6 Ų639.9 Ų39.94%0.03923%0.227CC..THydrogen-bonded Turntrans-70.4-13-16925.2-33000115.5T324 F327 Y334 V453 V454T324-P345 HydrophobicContact CG2-CG 3.59Å; F327-P345 HydrophobicContact CE2-CB 3.91Å; F327-P345 HydrophobicContact CE2-CG 4.24Å; Y334-P345 HydrophobicContact CE1-CG 4.44Å; P345-V453 WeakPolarHBondContact O-CA 3.49Å; P345-V453 WeakPolarHBondContact O-CB 3.46Å; P345-V453 VanDerWaalsContact O-CG1 3.24Å; P345-V453 WeakPolarHBondContact O-CG1 3.29Å; P345-V454 CarbonylContact C-O 3.51Å; P345-V454 HydrophobicContact CB-CG2 4.02Å; P345-V454 HydrophobicContact CG-CG2 3.57Å
346W91.3Very high78.3Confident0 Ų038.9 Ų38.90%022%0.221CC..THydrogen-bonded Turntrans-83-14.8171.73682.8000114T324 V331 F344 S363 L364 V454 V456 I527 A534T324-W346 HydrophobicContact CG2-CH2 4.42Å; T324-W346 HydrophobicContact CG2-CZ3 4.16Å; V331-W346 HydrophobicContact CG1-CH2 3.78Å; V331-W346 HydrophobicContact CG1-CZ2 4.3Å; F344-W346 VanDerWaalsContact C-N 3.27Å; F344-W346 HydrophobicContact CB-CD2 4.22Å; F344-W346 HydrophobicContact CB-CG 4.46Å; F344-W346 HydrophobicContact CB-CZ2 3.75Å; F344-W346 VanDerWaalsContact CB-NE1 3.32Å; F344-W346 HydrophobicContact CD1-CH2 4.14Å; F344-W346 AromaticContact CD1-CZ2 3.49Å; F344-W346 HydrophobicContact CD1-CZ2 3.49Å; F344-W346 VanDerWaalsContact CD1-CZ2 3.49Å; F344-W346 HydrophobicContact CD2-CZ2 4.27Å; F344-W346 AromaticContact CD2-NE1 3.9Å; F344-W346 HydrophobicContact CE1-CZ2 4.06Å; F344-W346 AromaticContact CG-CE2 3.81Å; F344-W346 AromaticContact CG-CZ2 3.62Å; F344-W346 HydrophobicContact CG-CZ2 3.62Å; F344-W346 AromaticContact CG-NE1 3.71Å; F344-W346 PolarHBondContact O-N 3.34Å; F344-W346 VanDerWaalsContact O-N 3.14Å; W346-S363 CarbonylContact O-C 3.49Å; W346-S363 WeakPolarHBondContact O-CA 3.49Å; W346-L364 HydrophobicContact CB-CB 4.24Å; W346-L364 PolarHBondContact O-N 2.04Å; W346-V454 VanDerWaalsContact CA-O 3.23Å; W346-V454 WeakPolarHBondContact CA-O 2.97Å; W346-V454 VanDerWaalsContact CB-O 3.31Å; W346-V454 WeakPolarHBondContact CB-O 3.38Å; W346-V454 HydrophobicContact CE3-CG2 4.07Å; W346-V454 HydrophobicContact CZ3-CG2 4.12Å; W346-V454 PolarHBondContact N-O 3.17Å; W346-V456 HydrophobicContact CB-CB 4.12Å; W346-V456 HydrophobicContact CD2-CB 3.75Å; W346-V456 HydrophobicContact CD2-CG2 4.23Å; W346-V456 HydrophobicContact CE3-CB 4.13Å; W346-V456 HydrophobicContact CG-CB 3.73Å; W346-V456 HydrophobicContact CG-CG1 4.38Å; W346-I527 HydrophobicContact CZ2-CG2 4Å; W346-I527 VanDerWaalsContact NE1-CD1 3.28Å; W346-A534 HydrophobicContact CH2-CB 3.3Å; W346-A534 HydrophobicContact CZ2-CB 3.42Å; W346-A534 VanDerWaalsContact CZ2-CB 3.42Å; W346-A534 HydrophobicContact CZ3-CB 4.15Å
347N92Very high79Confident0 Ų036.3 Ų36.30%021%0.206CC..EExtended strand (participates in β ladder)trans-76.7137.7-169.1-77.6-23.3000112.9M343 F344 T474 M483 E485 P525M343-N347 HydrophobicContact CE-CB 4.08Å; M343-N347 VanDerWaalsContact CE-O 3.27Å; M343-N347 WeakPolarHBondContact CE-O 3.32Å; M343-N347 HydrophobicContact CG-CB 3.64Å; M343-N347 HydrophobicContact SD-CB 3.74Å; F344-N347 WeakPolarHBondContact O-CB 3.32Å; F344-N347 PolarHBondContact O-N 2.86Å; N347-T474 HydrophobicContact CB-CG2 4.46Å; N347-T474 VanDerWaalsContact ND2-CG2 3.32Å; N347-T474 WeakPolarHBondContact ND2-CG2 3.31Å; N347-T474 PolarHBondContact ND2-OG1 2.97Å; N347-M483 HydrophobicContact CB-CE 4.31Å; N347-E485 PolarHBondContact ND2-OE1 3.1Å; N347-E485 PolarHBondContact ND2-OE2 2.9Å; N347-P525 WeakPolarHBondContact OD1-CG 3.43Å
348V90.4Very high80.3Confident0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-133.9150.3-179.5-58.60000113.4I350 I361 G362 L364 I377 V400 F401 A402V348-I350 HydrophobicContact CG2-CD1 4.12Å; V348-I361 WeakPolarHBondContact O-CA 3.23Å; V348-G362 VanDerWaalsContact CG2-C 3.5Å; V348-G362 WeakPolarHBondContact CG2-O 3.39Å; V348-G362 PolarHBondContact N-O 3.37Å; V348-G362 PolarHBondContact O-N 3.13Å; V348-L364 HydrophobicContact CG1-CD1 4.03Å; V348-L364 HydrophobicContact CG1-CG 4.09Å; V348-I377 HydrophobicContact CG1-CD1 4.22Å; V348-I377 HydrophobicContact CG2-CD1 4.31Å; V348-I377 HydrophobicContact CG2-CG2 3.63Å; V348-V400 HydrophobicContact CB-CG1 3.65Å; V348-V400 HydrophobicContact CG1-CG1 4.27Å; V348-V400 HydrophobicContact CG2-CG1 3.82Å; V348-F401 CarbonylContact C-O 3.56Å; V348-F401 WeakPolarHBondContact CA-O 3.08Å; V348-A402 HydrophobicContact CG1-CB 3.78Å
349I89.1Confident81.8Confident3 Ų332.3 Ų32.32%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-107.4126.4-179.7-53.1176.6000109.6T351 T358 V400 F401 F407 Y476 M483I349-T351 HydrophobicContact CB-CG2 4.5Å; I349-T351 HydrophobicContact CG2-CG2 3.69Å; I349-T358 HydrophobicContact CG2-CG2 3.64Å; I349-V400 CarbonylContact O-C 3.48Å; I349-V400 WeakPolarHBondContact O-CA 3.37Å; I349-F401 HydrophobicContact CB-CB 4.42Å; I349-F401 PolarHBondContact N-O 3.27Å; I349-F401 PolarHBondContact O-N 2.82Å; I349-F407 HydrophobicContact CD1-CB 3.25Å; I349-F407 HydrophobicContact CD1-CD1 4.37Å; I349-F407 HydrophobicContact CD1-CD2 4.31Å; I349-F407 HydrophobicContact CD1-CG 3.75Å; I349-F407 HydrophobicContact CG2-CD1 4.33Å; I349-F407 HydrophobicContact CG2-CG 4.46Å; I349-Y476 HydrophobicContact CD1-CD2 4.48Å; I349-M483 HydrophobicContact CD1-CG 3.95Å; I349-M483 HydrophobicContact CD1-SD 3.5Å; I349-M483 VanDerWaalsContact CD1-SD 3.5Å; I349-M483 HydrophobicContact CG1-CE 3.82Å; I349-M483 HydrophobicContact CG1-CG 4.1Å; I349-M483 HydrophobicContact CG1-SD 3.15Å; I349-M483 WeakPolarHBondContact CG1-SD 3.34Å
350I86.8Confident83.1Confident2 Ų229.4 Ų29.41%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-105.6127.5177.7-57.588.3000109.3V348 K359 C360 I361 V379 L398 V400V348-I350 HydrophobicContact CG2-CD1 4.12Å; I350-K359 PolarHBondContact O-N 2.76Å; I350-C360 PolarHBondContact N-O 3.04Å; I350-I361 WeakPolarHBondContact CD1-O 3.2Å; I350-V379 HydrophobicContact CB-CG1 4.45Å; I350-V379 HydrophobicContact CD1-CB 4.16Å; I350-V379 HydrophobicContact CD1-CG1 3.4Å; I350-V379 HydrophobicContact CD1-CG2 3.65Å; I350-V379 HydrophobicContact CG1-CB 4.32Å; I350-V379 HydrophobicContact CG1-CG1 3.64Å; I350-V379 HydrophobicContact CG1-CG2 3.73Å; I350-L398 HydrophobicContact CG2-CB 4.43Å; I350-L398 HydrophobicContact CG2-CD1 4.18Å; I350-V400 HydrophobicContact CG1-CG1 4.38Å; I350-V400 HydrophobicContact CG1-CG2 4.2Å
351T87.2Confident84.3Confident0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-132.4146.6-164.570.10000110.8I349 K353 S357 L398 R399 F401 F407I349-T351 HydrophobicContact CB-CG2 4.5Å; I349-T351 HydrophobicContact CG2-CG2 3.69Å; T351-K353 PolarHBondContact O-N 2.78Å; T351-S357 WeakPolarHBondContact CA-O 3.44Å; T351-L398 CarbonylContact O-C 3.49Å; T351-L398 WeakPolarHBondContact O-CA 3.29Å; T351-R399 PolarHBondContact N-O 3.36Å; T351-R399 PolarHBondContact O-N 2.86Å; T351-R399 PolarHBondContact OG1-O 2.91Å; T351-F401 HydrophobicContact CG2-CD2 3.86Å; T351-F401 HydrophobicContact CG2-CE2 4.17Å; T351-F401 WeakPolarHBondContact OG1-CE2 3.26Å; T351-F407 HydrophobicContact CG2-CE1 3.81Å; T351-F407 HydrophobicContact CG2-CE2 3.98Å; T351-F407 HydrophobicContact CG2-CZ 3.45Å; T351-F407 VanDerWaalsContact CG2-CZ 3.45Å
352S82.9Confident85.4Confident7 Ų724.7 Ų24.75%0.04912%0.123CC..EExtended strand (participates in β ladder)trans-69120.4165.153.10000110I354 G356 S357S352-I354 PolarHBondContact O-N 3.01Å; S352-G356 VanDerWaalsContact O-CA 3.26Å; S352-G356 WeakPolarHBondContact O-CA 3.38Å; S352-G356 PolarHBondContact O-N 3.16Å; S352-S357 PolarHBondContact N-O 2.95Å; S352-S357 PolarHBondContact OG-N 2.82Å; S352-S357 PolarHBondContact OG-O 2.93Å; S352-S357 PolarHBondContact OG-OG 3.29Å
353K80.5Confident86Confident96 Ų9621.8 Ų21.842%0.41711%0.108SC..THydrogen-bonded Turntrans-45.2-46.8176.9177-175.5175.5-167.60112.9T351 S396 Q397 R399 R412T351-K353 PolarHBondContact O-N 2.78Å; K353-S396 WeakPolarHBondContact CD-O 3.26Å; K353-S396 WeakPolarHBondContact CE-O 3.47Å; K353-S396 PolarHBondContact NZ-O 2.84Å; K353-Q397 WeakPolarHBondContact CB-O 3.4Å; K353-Q397 PolarHBondContact N-O 3.49Å; K353-R399 HydrophobicContact CB-CG 4.21Å; K353-R399 HydrophobicContact CG-CG 4.41Å; K353-R412 PolarHBondContact O-NH1 3.03Å
354I76.4Confident86Confident129 Ų12921.2 Ų21.266%0.66211%0.105SC*.THydrogen-bonded Turntrans-69.2-80.6-179.1-55.6173.3000109.9S352 G356 R412S352-I354 PolarHBondContact O-N 3.01Å; I354-G356 PolarHBondContact O-N 3.01Å; I354-R412 PolarHBondContact O-NH2 3.32Å
355M74.1Confident85.5Confident116 Ų11621.3 Ų21.357%0.57111%0.105SC*.THydrogen-bonded Turntrans-66.3-10.9-172.2-56.2-177.382.900115S357M355-S357 PolarHBondContact O-N 2.89Å
356G76.7Confident84.4Confident0 Ų024.6 Ų24.60%012%0.122CC..  trans63.48-17300000114.5S352 I354 F407S352-G356 VanDerWaalsContact O-CA 3.26Å; S352-G356 WeakPolarHBondContact O-CA 3.38Å; S352-G356 PolarHBondContact O-N 3.16Å; I354-G356 PolarHBondContact O-N 3.01Å; G356-F407 WeakPolarHBondContact O-CE1 3.44Å
357S81.4Confident82.9Confident8 Ų826.1 Ų26.16%0.05613%0.134CC..  trans-73.1127.3-178.761.60000111.5T351 S352 M355 K359T351-S357 WeakPolarHBondContact CA-O 3.44Å; S352-S357 PolarHBondContact N-O 2.95Å; S352-S357 PolarHBondContact OG-N 2.82Å; S352-S357 PolarHBondContact OG-O 2.93Å; S352-S357 PolarHBondContact OG-OG 3.29Å; M355-S357 PolarHBondContact O-N 2.89Å; S357-K359 PolarHBondContact O-N 2.85Å; S357-K359 WeakPolarHBondContact OG-CE 3.43Å; S357-K359 PolarHBondContact OG-NZ 2.87Å
358T85.8Confident81Confident19 Ų1930.6 Ų30.612%0.11716%0.158CC..EExtended strand (participates in β ladder)trans-51.8131.8162.7-50.10000109.8I349 Y476 V520I349-T358 HydrophobicContact CG2-CG2 3.64Å; T358-Y476 HydrophobicContact CG2-CD1 3.74Å; T358-Y476 HydrophobicContact CG2-CE1 4.2Å; T358-Y476 HydrophobicContact CG2-CG 4Å; T358-Y476 WeakPolarHBondContact OG1-CE1 3.4Å; T358-V520 HydrophobicContact CG2-CB 4.5Å; T358-V520 HydrophobicContact CG2-CG1 4.48Å; T358-V520 HydrophobicContact CG2-CG2 4.39Å
359K83.7Confident79Confident56 Ų5636.7 Ų36.724%0.24320%0.198CC..EExtended strand (participates in β ladder)trans-110.6-46.5177.4-61.3-53-167.8-167.90111.3I350 S357 I385 V520I350-K359 PolarHBondContact O-N 2.76Å; S357-K359 PolarHBondContact O-N 2.85Å; S357-K359 WeakPolarHBondContact OG-CE 3.43Å; S357-K359 PolarHBondContact OG-NZ 2.87Å; K359-I385 HydrophobicContact CB-CG2 4.03Å; K359-I385 WeakPolarHBondContact O-CD1 3.07Å; K359-V520 WeakPolarHBondContact O-CG1 3.32Å
360C86.8Confident76.7Confident4 Ų441.2 Ų41.23%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-154.9169.3-17851.40000110.4I350 N381 L522I350-C360 PolarHBondContact N-O 3.04Å; C360-N381 HydrophobicContact CB-CB 4.37Å; C360-N381 WeakPolarHBondContact CB-ND2 3.1Å; C360-N381 PolarHBondContact SG-ND2 3.12Å; C360-L522 CarbonylContact C-O 3.57Å; C360-L522 WeakPolarHBondContact CA-O 3.16Å; C360-L522 HydrophobicContact CB-CB 4.43Å; C360-L522 WeakPolarHBondContact CB-O 3.44Å
361I89Confident74.3Confident0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-99.6166.9171-59-177.3000107.7V348 I350 T474 M483 V520 L522 G523 A524V348-I361 WeakPolarHBondContact O-CA 3.23Å; I350-I361 WeakPolarHBondContact CD1-O 3.2Å; I361-T474 HydrophobicContact CD1-CG2 4.16Å; I361-T474 WeakPolarHBondContact CD1-O 3.07Å; I361-T474 HydrophobicContact CG2-CG2 4.4Å; I361-M483 HydrophobicContact CB-CE 4.21Å; I361-M483 HydrophobicContact CD1-CE 3.77Å; I361-M483 HydrophobicContact CG1-CE 3.77Å; I361-M483 HydrophobicContact CG2-CE 3.58Å; I361-V520 WeakPolarHBondContact CD1-O 3.35Å; I361-L522 PolarHBondContact N-O 3.19Å; I361-G523 CarbonylContact C-O 3.22Å; I361-G523 VanDerWaalsContact C-O 3.25Å; I361-G523 CarbonylContact O-C 3.55Å; I361-G523 WeakPolarHBondContact O-CA 3.3Å; I361-G523 VanDerWaalsContact O-O 3.07Å; I361-A524 HydrophobicContact CB-CB 4.39Å; I361-A524 HydrophobicContact CD1-CB 4.38Å; I361-A524 HydrophobicContact CG2-CB 4.4Å
362G88.5Confident71.9Confident0 Ų055 Ų550%030%0.3CS..EExtended strand (participates in β ladder)trans-162.1-177.7167.500000110.4V348V348-G362 VanDerWaalsContact CG2-C 3.5Å; V348-G362 WeakPolarHBondContact CG2-O 3.39Å; V348-G362 PolarHBondContact N-O 3.37Å; V348-G362 PolarHBondContact O-N 3.13Å
363S91Very high69.7Low0 Ų060.3 Ų60.30%033%0.328CS..EExtended strand (participates in β ladder)trans-132.2146.5-175.549.40000112.6W346 S378 Q536W346-S363 CarbonylContact O-C 3.49Å; W346-S363 WeakPolarHBondContact O-CA 3.49Å; S363-S378 PolarHBondContact N-O 3.27Å; S363-S378 VanDerWaalsContact N-O 3.1Å; S363-S378 PolarHBondContact O-N 3.03Å; S363-Q536 PolarHBondContact OG-NE2 3.37Å; S363-Q536 PolarHBondContact OG-OE1 3.02Å
364L89.1Confident67.6Low0 Ų059.6 Ų59.60%033%0.327CS..EExtended strand (participates in β ladder)trans-78.2133169.6-78.4155.7000110.8W346 V348 I377 L447 V453 P455 V456W346-L364 HydrophobicContact CB-CB 4.24Å; W346-L364 PolarHBondContact O-N 2.04Å; V348-L364 HydrophobicContact CG1-CD1 4.03Å; V348-L364 HydrophobicContact CG1-CG 4.09Å; L364-I377 HydrophobicContact CD2-CD1 4.26Å; L364-I377 HydrophobicContact CD2-CG1 3.71Å; L364-I377 HydrophobicContact CG-CG1 4.38Å; L364-L447 HydrophobicContact CD1-CD1 4.38Å; L364-L447 HydrophobicContact CD2-CB 4.27Å; L364-L447 HydrophobicContact CD2-CD1 4.13Å; L364-V453 HydrophobicContact CD1-CB 3.69Å; L364-V453 HydrophobicContact CD1-CG1 3.89Å; L364-V453 HydrophobicContact CD1-CG2 3.8Å; L364-P455 HydrophobicContact CB-CB 4.42Å; L364-P455 CarbonylContact O-C 3.42Å; L364-P455 VanDerWaalsContact O-CA 3.29Å; L364-P455 WeakPolarHBondContact O-CA 3.39Å; L364-V456 PolarHBondContact O-N 3.06Å
365Q81.2Confident66.2Low1 Ų154.9 Ų54.91%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-140.5154.6-178.3-67.8176.9-6.800110.1A376 S378 V456 L458 F569Q365-A376 PolarHBondContact N-O 2.84Å; Q365-A376 PolarHBondContact O-N 3.17Å; Q365-S378 VanDerWaalsContact CD-CB 3.49Å; Q365-S378 PolarHBondContact OE1-OG 3.08Å; Q365-V456 HydrophobicContact CG-CG1 4.19Å; Q365-L458 VanDerWaalsContact CD-CD2 3.42Å; Q365-L458 HydrophobicContact CG-CD2 4.19Å; Q365-F569 HydrophobicContact CB-CZ 4.46Å
366I69.3Low64.7Low75 Ų7550 Ų5039%0.38528%0.279SS..EExtended strand (participates in β ladder)trans-86127.7177.2-55.8178.9000109C321 L368 P455C321-I366 HydrophobicContact CB-CD1 4.17Å; I366-L368 WeakPolarHBondContact CG2-O 3.36Å; I366-P455 HydrophobicContact CD1-CG 3.77Å; I366-P455 HydrophobicContact CG1-CB 3.87Å; I366-P455 HydrophobicContact CG1-CG 3.41Å; I366-P455 VanDerWaalsContact CG1-CG 3.41Å
367A58.1Low63.4Low32 Ų3250 Ų5026%0.26428%0.279SS..  trans-98.393.4173.200000110.2A376 F569A367-A376 HydrophobicContact CB-CB 3.81Å; A367-F569 HydrophobicContact CB-CD1 4.16Å; A367-F569 HydrophobicContact CB-CE1 4.02Å
368L53.5Low61.6Low94 Ų9449.7 Ų49.749%0.49228%0.277SS..  trans68.8151.2-176.8-66.475.6000115.1I366 S370 F569I366-L368 WeakPolarHBondContact CG2-O 3.36Å; L368-S370 VanDerWaalsContact C-N 3.29Å; L368-S370 PolarHBondContact O-N 3.33Å; L368-F569 WeakPolarHBondContact CD1-O 3.35Å
369P47.4Very low59.5Low129 Ų12949 Ų4984%0.83827%0.272SS*.THydrogen-bonded Turntrans-75.5-11.7-178.9-15.531.5000114.9
370S41Very low57.6Low98 Ų9846.4 Ų46.469%0.68526%0.261SS*.THydrogen-bonded Turntrans-89.6-1.3-160.847.70000116.1L368L368-S370 VanDerWaalsContact C-N 3.29Å; L368-S370 PolarHBondContact O-N 3.33Å
371M35.7Very low55.6Low127 Ų12746.3 Ų46.363%0.62626%0.261SS*.  trans-138.1115168.8-74.3-158.2-7000111.6D373 M374M371-D373 PolarHBondContact O-N 3.42Å; M371-M374 HydrophobicContact CE-SD 3.88Å
372L37.2Very low53.5Low164 Ų16448 Ų4886%0.85927%0.269SS*.THydrogen-bonded Turntrans-64.3-12.8-168.7-80.3159.1000116.1
373D36.6Very low51.3Low118 Ų11848.2 Ų48.263%0.63127%0.272SS*.THydrogen-bonded Turntrans-117.92.7-171-69.3-67.3000115.2M371 P446M371-D373 PolarHBondContact O-N 3.42Å; D373-P446 WeakPolarHBondContact O-CB 3.34Å; D373-P446 WeakPolarHBondContact O-CG 3.38Å
374M37.4Very low49.4Very low82 Ų8253 Ų5340%0.40430%0.297SS..  trans-10288-175.6-85.5-158.663.100115.1M371M371-M374 HydrophobicContact CE-SD 3.88Å
375Y45.7Very low47.7Very low30 Ų3054.4 Ų54.412%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-78.6118.9169.9-54.2-99.9000110.8P446 L447 P455Y375-P446 HydrophobicContact CD2-CB 3.92Å; Y375-L447 VanDerWaalsContact CD1-O 3.27Å; Y375-L447 WeakPolarHBondContact CD1-O 3.14Å; Y375-L447 WeakPolarHBondContact CD2-O 3.08Å; Y375-L447 WeakPolarHBondContact CE1-O 3.43Å; Y375-L447 WeakPolarHBondContact CE2-O 3.47Å; Y375-P455 HydrophobicContact CD1-CG 4.33Å; Y375-P455 HydrophobicContact CE1-CG 4.35Å
376A43.6Very low46.3Very low13 Ų1355 Ų5511%0.10731%0.307CS..EExtended strand (participates in β ladder)trans-90.5149.8170.600000110.3Q365 A367Q365-A376 PolarHBondContact N-O 2.84Å; Q365-A376 PolarHBondContact O-N 3.17Å; A367-A376 HydrophobicContact CB-CB 3.81Å
377I48.7Very low45.3Very low0 Ų056.4 Ų56.40%032%0.315CS..EExtended strand (participates in β ladder)trans-104.4121.6167-56.2-168.7000109.2V348 L364 V379 V400 L441 L443 L447V348-I377 HydrophobicContact CG1-CD1 4.22Å; V348-I377 HydrophobicContact CG2-CD1 4.31Å; V348-I377 HydrophobicContact CG2-CG2 3.63Å; L364-I377 HydrophobicContact CD2-CD1 4.26Å; L364-I377 HydrophobicContact CD2-CG1 3.71Å; L364-I377 HydrophobicContact CG-CG1 4.38Å; I377-V379 HydrophobicContact CB-CG2 4.39Å; I377-V379 HydrophobicContact CG2-CG2 3.35Å; I377-V379 PolarHBondContact O-N 3.21Å; I377-V400 HydrophobicContact CD1-CB 4.26Å; I377-V400 HydrophobicContact CD1-CG1 3.62Å; I377-V400 HydrophobicContact CD1-CG2 4.47Å; I377-L441 PolarHBondContact N-O 2.72Å; I377-L441 PolarHBondContact O-N 2.91Å; I377-L441 VanDerWaalsContact O-O 3.14Å; I377-L443 HydrophobicContact CD1-CD1 3.78Å; I377-L443 HydrophobicContact CD1-CD2 3.54Å; I377-L443 HydrophobicContact CD1-CG 3.9Å; I377-L443 HydrophobicContact CG1-CD1 3.8Å; I377-L443 HydrophobicContact CG1-CD2 4Å; I377-L443 HydrophobicContact CG1-CG 3.85Å; I377-L447 HydrophobicContact CD1-CD1 4.31Å
378S43.5Very low45.1Very low1 Ų161.8 Ų61.81%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-92.697.1169.3-65.20000108.6S363 Q365 L380S363-S378 PolarHBondContact N-O 3.27Å; S363-S378 VanDerWaalsContact N-O 3.1Å; S363-S378 PolarHBondContact O-N 3.03Å; Q365-S378 VanDerWaalsContact CD-CB 3.49Å; Q365-S378 PolarHBondContact OE1-OG 3.08Å; S378-L380 PolarHBondContact O-N 2.98Å
379V41.7Very low45.1Very low4 Ų458.9 Ų58.92%0.02431%0.311CS..  trans-98.472.8172.4-173.30000108.5I350 I377 N381 A439 L441I350-V379 HydrophobicContact CB-CG1 4.45Å; I350-V379 HydrophobicContact CD1-CB 4.16Å; I350-V379 HydrophobicContact CD1-CG1 3.4Å; I350-V379 HydrophobicContact CD1-CG2 3.65Å; I350-V379 HydrophobicContact CG1-CB 4.32Å; I350-V379 HydrophobicContact CG1-CG1 3.64Å; I350-V379 HydrophobicContact CG1-CG2 3.73Å; I377-V379 HydrophobicContact CB-CG2 4.39Å; I377-V379 HydrophobicContact CG2-CG2 3.35Å; I377-V379 PolarHBondContact O-N 3.21Å; V379-N381 PolarHBondContact O-N 3.2Å; V379-A439 CarbonylContact C-O 3.54Å; V379-A439 PolarHBondContact N-O 2.02Å; V379-A439 CarbonylContact O-C 3.54Å; V379-A439 WeakPolarHBondContact O-CB 3.48Å; V379-A439 VanDerWaalsContact O-O 3.06Å; V379-L441 HydrophobicContact CB-CD1 3.72Å; V379-L441 HydrophobicContact CB-CG 3.77Å; V379-L441 HydrophobicContact CG1-CD1 4.37Å; V379-L441 HydrophobicContact CG2-CB 4.41Å; V379-L441 HydrophobicContact CG2-CD1 3.33Å; V379-L441 HydrophobicContact CG2-CG 3.63Å
380L43.9Very low45.4Very low2 Ų256.8 Ų56.81%0.0130%0.296CS..  trans-60.5112.9173.1-69.787.3000107.9S378 I438 A439 G523 V539S378-L380 PolarHBondContact O-N 2.98Å; L380-I438 HydrophobicContact CB-CB 4.12Å; L380-I438 HydrophobicContact CB-CG2 4.48Å; L380-I438 HydrophobicContact CD2-CB 3.73Å; L380-I438 HydrophobicContact CD2-CD1 3.85Å; L380-I438 HydrophobicContact CD2-CG1 4.42Å; L380-I438 HydrophobicContact CD2-CG2 3.65Å; L380-I438 HydrophobicContact CG-CB 3.75Å; L380-I438 HydrophobicContact CG-CD1 4.13Å; L380-I438 HydrophobicContact CG-CG2 4.2Å; L380-A439 PolarHBondContact N-O 3.43Å; L380-G523 WeakPolarHBondContact O-CA 3.38Å; L380-V539 HydrophobicContact CB-CB 3.71Å; L380-V539 HydrophobicContact CB-CG1 3.59Å; L380-V539 HydrophobicContact CB-CG2 3.77Å; L380-V539 HydrophobicContact CD1-CG2 3.85Å; L380-V539 HydrophobicContact CD2-CB 3.85Å; L380-V539 HydrophobicContact CD2-CG2 3.71Å; L380-V539 HydrophobicContact CG-CB 4.26Å; L380-V539 HydrophobicContact CG-CG2 3.96Å
381N45.6Very low46.2Very low3 Ų354.6 Ų54.62%0.01628%0.277CS..  trans-153.6139.9175.6-172.210.8000110.2C360 V379 G383 I385 G437C360-N381 HydrophobicContact CB-CB 4.37Å; C360-N381 WeakPolarHBondContact CB-ND2 3.1Å; C360-N381 PolarHBondContact SG-ND2 3.12Å; V379-N381 PolarHBondContact O-N 3.2Å; N381-G383 PolarHBondContact O-N 3.44Å; N381-I385 WeakPolarHBondContact ND2-CB 3.42Å; N381-I385 WeakPolarHBondContact ND2-CD1 3.21Å; N381-G437 CarbonylContact C-O 3.6Å
382I44.3Very low47.1Very low35 Ų3551.7 Ų51.718%0.17927%0.272CS..  trans-55.3131.8174.3-51.7179.1000109D384 I385 R436 L541I382-D384 HydrophobicContact CG2-CB 4.18Å; I382-D384 WeakPolarHBondContact CG2-OD2 3.45Å; I382-D384 PolarHBondContact O-N 2.92Å; I382-I385 PolarHBondContact O-N 3.17Å; I382-I385 VanDerWaalsContact O-N 3.11Å; I382-R436 HydrophobicContact CG2-CB 3.76Å; I382-L541 HydrophobicContact CD1-CB 4.11Å; I382-L541 WeakPolarHBondContact CD1-O 3.48Å; I382-L541 HydrophobicContact CG1-CB 4.37Å; I382-L541 HydrophobicContact CG1-CD2 4.05Å
383G42.3Very low48.1Very low5 Ų544.7 Ų44.75%0.05224%0.238CC..Hα-helixtrans-49.9-11.2172.400000115.8N381 I385 L386 L387N381-G383 PolarHBondContact O-N 3.44Å; G383-I385 PolarHBondContact O-N 2.84Å; G383-L386 PolarHBondContact O-N 2.78Å; G383-L387 WeakPolarHBondContact O-CB 3.47Å; G383-L387 WeakPolarHBondContact O-CD1 3Å; G383-L387 WeakPolarHBondContact O-CG 3.37Å; G383-L387 PolarHBondContact O-N 3.13Å
384D51.4Low49.3Very low99 Ų9939.1 Ų39.153%0.52921%0.208SC..Hα-helixtrans-60.6-26.9170.9-82.5-87.9000114.1I382 R436I382-D384 HydrophobicContact CG2-CB 4.18Å; I382-D384 WeakPolarHBondContact CG2-OD2 3.45Å; I382-D384 PolarHBondContact O-N 2.92Å; D384-R436 IonicContact OD1-NH1 2.71Å; D384-R436 PolarHBondContact OD1-NH1 3.14Å; D384-R436 WeakPolarHBondContact OD2-CD 3.26Å; D384-R436 IonicContact OD2-CZ 3.34Å; D384-R436 IonicContact OD2-NH1 3.6Å; D384-R436 PolarHBondContact OD2-NH1 3.22Å
385I53Low50.9Low31 Ų3139.8 Ų39.816%0.15921%0.209CC..Hα-helixtrans-86.5-41.1170.7-77.2172.5000110.9K359 N381 I382 G383 Y389 L522K359-I385 HydrophobicContact CB-CG2 4.03Å; K359-I385 WeakPolarHBondContact O-CD1 3.07Å; N381-I385 WeakPolarHBondContact ND2-CB 3.42Å; N381-I385 WeakPolarHBondContact ND2-CD1 3.21Å; I382-I385 PolarHBondContact O-N 3.17Å; I382-I385 VanDerWaalsContact O-N 3.11Å; G383-I385 PolarHBondContact O-N 2.84Å; I385-Y389 WeakPolarHBondContact O-CD2 3.33Å; I385-Y389 WeakPolarHBondContact O-CE2 3.16Å; I385-L522 HydrophobicContact CD1-CD1 3.69Å
386L53.2Low52Low12 Ų1241 Ų416%0.06322%0.221CC..Hα-helixtrans-74.7-33.1-176.3-80.1163.9000113.4G383 R388 Y389 A394 L398 L424 A439G383-L386 PolarHBondContact O-N 2.78Å; L386-R388 PolarHBondContact O-N 3.48Å; L386-Y389 CarbonylContact O-C 3.51Å; L386-Y389 WeakPolarHBondContact O-CA 3.26Å; L386-Y389 VanDerWaalsContact O-CB 3.26Å; L386-Y389 WeakPolarHBondContact O-CB 3.29Å; L386-Y389 WeakPolarHBondContact O-CD2 3.31Å; L386-Y389 PolarHBondContact O-N 3.21Å; L386-A394 HydrophobicContact CD2-CB 3.65Å; L386-L398 HydrophobicContact CD2-CD1 3.67Å; L386-L424 HydrophobicContact CB-CD2 4.37Å; L386-L424 HydrophobicContact CD1-CD2 3.63Å; L386-A439 HydrophobicContact CD1-CB 3.96Å
387L46.9Very low53.7Low105 Ų10543.7 Ų43.755%0.5523%0.232SC..THydrogen-bonded Turntrans-69.40.2176.2-73.8162.7000114.8G383 Y389 R436G383-L387 WeakPolarHBondContact O-CB 3.47Å; G383-L387 WeakPolarHBondContact O-CD1 3Å; G383-L387 WeakPolarHBondContact O-CG 3.37Å; G383-L387 PolarHBondContact O-N 3.13Å; L387-Y389 PolarHBondContact O-N 2.99Å; L387-R436 HydrophobicContact CD1-CG 4.44Å
388R53.7Low55.3Low146 Ų14644 Ų4455%0.55123%0.233SC*.THydrogen-bonded Turntrans-76-3160-67.6-177.6173.4-104.9-7112.3L386L386-R388 PolarHBondContact O-N 3.48Å
389Y54.2Low57.3Low32 Ų3245.6 Ų45.613%0.12524%0.239CC..SBendtrans-136.5143.7-178.2-46.2-80.9000107I385 L386 L387 Q397 L398I385-Y389 WeakPolarHBondContact O-CD2 3.33Å; I385-Y389 WeakPolarHBondContact O-CE2 3.16Å; L386-Y389 CarbonylContact O-C 3.51Å; L386-Y389 WeakPolarHBondContact O-CA 3.26Å; L386-Y389 VanDerWaalsContact O-CB 3.26Å; L386-Y389 WeakPolarHBondContact O-CB 3.29Å; L386-Y389 WeakPolarHBondContact O-CD2 3.31Å; L386-Y389 PolarHBondContact O-N 3.21Å; L387-Y389 PolarHBondContact O-N 2.99Å; Y389-Q397 HydrophobicContact CD1-CB 3.73Å; Y389-Q397 HydrophobicContact CD1-CG 4.15Å; Y389-Q397 HydrophobicContact CE1-CB 3.67Å; Y389-Q397 HydrophobicContact CE1-CG 4.32Å; Y389-L398 HydrophobicContact CE2-CD2 4.14Å
390T55Low59.5Low85 Ų8545.4 Ų45.452%0.52124%0.238SC..  trans-65.5166.6154.261.20000109.2A392 S393 A394 E579T390-A392 VanDerWaalsContact C-N 3.3Å; T390-A392 PolarHBondContact O-N 3.03Å; T390-S393 CarbonylContact O-C 3.5Å; T390-S393 WeakPolarHBondContact O-CA 3.48Å; T390-S393 WeakPolarHBondContact O-CB 3.38Å; T390-S393 PolarHBondContact O-N 3.43Å; T390-S393 WeakPolarHBondContact OG1-CB 3.22Å; T390-S393 PolarHBondContact OG1-N 3Å; T390-S393 VanDerWaalsContact OG1-N 3.14Å; T390-A394 PolarHBondContact O-N 3.14Å; T390-E579 VanDerWaalsContact CB-OE1 3.27Å; T390-E579 WeakPolarHBondContact CB-OE1 3.49Å
391L57.1Low61.7Low53 Ų5345.7 Ų45.728%0.27724%0.239SC..Hα-helixtrans-58.9-45178.7-148.971.8000110.3S393 A394 K395 V422 L424 E579L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 2.63Å; L391-A394 PolarHBondContact O-N 2.69Å; L391-K395 PolarHBondContact O-N 2.81Å; L391-V422 HydrophobicContact CD1-CB 4.29Å; L391-V422 HydrophobicContact CD1-CG1 4.02Å; L391-V422 WeakPolarHBondContact CD1-O 3.23Å; L391-V422 WeakPolarHBondContact CD2-O 3.33Å; L391-V422 HydrophobicContact CG-CB 4.33Å; L391-V422 WeakPolarHBondContact CG-O 3.13Å; L391-L424 HydrophobicContact CD1-CB 4.43Å; L391-L424 HydrophobicContact CD1-CD1 3.66Å; L391-L424 HydrophobicContact CD1-CG 3.82Å; L391-E579 WeakPolarHBondContact CA-OE1 3.23Å; L391-E579 HydrophobicContact CB-CG 4.41Å; L391-E579 WeakPolarHBondContact CB-OE1 3.31Å; L391-E579 PolarHBondContact N-OE1 3Å
392A53.6Low63.7Low65 Ų6545.7 Ų45.754%0.53724%0.24SC..Hα-helixtrans-62.1-32.417100000113.6T390 S396 E579T390-A392 VanDerWaalsContact C-N 3.3Å; T390-A392 PolarHBondContact O-N 3.03Å; A392-S396 PolarHBondContact O-N 3.12Å; A392-S396 PolarHBondContact O-OG 3.26Å; A392-E579 PolarHBondContact N-OE1 3.3Å
393S59.6Low65.7Low18 Ų1845.9 Ų45.913%0.12624%0.244CC..Hα-helixtrans-73.8-33.5176-176.40000112.1T390 L391 K395 S396 Q397T390-S393 CarbonylContact O-C 3.5Å; T390-S393 WeakPolarHBondContact O-CA 3.48Å; T390-S393 WeakPolarHBondContact O-CB 3.38Å; T390-S393 PolarHBondContact O-N 3.43Å; T390-S393 WeakPolarHBondContact OG1-CB 3.22Å; T390-S393 PolarHBondContact OG1-N 3Å; T390-S393 VanDerWaalsContact OG1-N 3.14Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 2.63Å; S393-K395 PolarHBondContact O-N 2.77Å; S393-S396 WeakPolarHBondContact CA-OG 3.34Å; S393-S396 PolarHBondContact O-N 3.02Å; S393-S396 PolarHBondContact O-OG 3.16Å; S393-S396 VanDerWaalsContact O-OG 3.13Å; S393-Q397 VanDerWaalsContact O-CB 3.23Å; S393-Q397 WeakPolarHBondContact O-CB 3.38Å; S393-Q397 WeakPolarHBondContact O-CG 3.18Å; S393-Q397 PolarHBondContact O-N 3.12Å; S393-Q397 PolarHBondContact OG-NE2 3.14Å
394A61.4Low67.7Low1 Ų146.7 Ų46.71%0.00825%0.249CC..Hα-helixtrans-60.7-46.617600000111.3L386 T390 L391 S396 Q397 L398 V422L386-A394 HydrophobicContact CD2-CB 3.65Å; T390-A394 PolarHBondContact O-N 3.14Å; L391-A394 PolarHBondContact O-N 2.69Å; A394-S396 VanDerWaalsContact C-N 3.33Å; A394-S396 PolarHBondContact O-N 2.76Å; A394-Q397 PolarHBondContact O-N 3.27Å; A394-L398 HydrophobicContact CB-CD1 4.28Å; A394-L398 WeakPolarHBondContact O-CB 3.44Å; A394-L398 PolarHBondContact O-N 2.75Å; A394-V422 HydrophobicContact CB-CG1 4.32Å; A394-V422 HydrophobicContact CB-CG2 4Å
395K71Confident69Low96 Ų9643 Ų4342%0.41723%0.231SC..Hα-helixtrans-53.3-44.7171.4173.3166.7-176.7167.40113.1L391 S393 R399 I419 A420L391-K395 PolarHBondContact O-N 2.81Å; S393-K395 PolarHBondContact O-N 2.77Å; K395-R399 PolarHBondContact O-NH1 2.68Å; K395-R399 VanDerWaalsContact O-NH1 3.09Å; K395-I419 WeakPolarHBondContact CG-O 3.27Å; K395-A420 WeakPolarHBondContact CD-O 3.41Å; K395-A420 WeakPolarHBondContact CE-O 3.36Å; K395-A420 PolarHBondContact NZ-O 2.94Å
396S68.7Low70.4Confident55 Ų5545 Ų4539%0.38524%0.236SC..Hα-helixtrans-84.3-22.6-176.568.20000114.8K353 A392 S393 A394K353-S396 WeakPolarHBondContact CD-O 3.26Å; K353-S396 WeakPolarHBondContact CE-O 3.47Å; K353-S396 PolarHBondContact NZ-O 2.84Å; A392-S396 PolarHBondContact O-N 3.12Å; A392-S396 PolarHBondContact O-OG 3.26Å; S393-S396 WeakPolarHBondContact CA-OG 3.34Å; S393-S396 PolarHBondContact O-N 3.02Å; S393-S396 PolarHBondContact O-OG 3.16Å; S393-S396 VanDerWaalsContact O-OG 3.13Å; A394-S396 VanDerWaalsContact C-N 3.33Å; A394-S396 PolarHBondContact O-N 2.76Å
397Q78.7Confident71.7Confident70 Ų7044.5 Ų44.533%0.32723%0.233SC..Hα-helixtrans-112.9-11.3-173.3-61-156.838.500115.9K353 Y389 S393 A394K353-Q397 WeakPolarHBondContact CB-O 3.4Å; K353-Q397 PolarHBondContact N-O 3.49Å; Y389-Q397 HydrophobicContact CD1-CB 3.73Å; Y389-Q397 HydrophobicContact CD1-CG 4.15Å; Y389-Q397 HydrophobicContact CE1-CB 3.67Å; Y389-Q397 HydrophobicContact CE1-CG 4.32Å; S393-Q397 VanDerWaalsContact O-CB 3.23Å; S393-Q397 WeakPolarHBondContact O-CB 3.38Å; S393-Q397 WeakPolarHBondContact O-CG 3.18Å; S393-Q397 PolarHBondContact O-N 3.12Å; S393-Q397 PolarHBondContact OG-NE2 3.14Å; A394-Q397 PolarHBondContact O-N 3.27Å
398L82.8Confident73.2Confident5 Ų540 Ų403%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-103.9156.1174.9-61.3179.9000112.6I350 T351 L386 Y389 A394 I419I350-L398 HydrophobicContact CG2-CB 4.43Å; I350-L398 HydrophobicContact CG2-CD1 4.18Å; T351-L398 CarbonylContact O-C 3.49Å; T351-L398 WeakPolarHBondContact O-CA 3.29Å; L386-L398 HydrophobicContact CD2-CD1 3.67Å; Y389-L398 HydrophobicContact CE2-CD2 4.14Å; A394-L398 HydrophobicContact CB-CD1 4.28Å; A394-L398 WeakPolarHBondContact O-CB 3.44Å; A394-L398 PolarHBondContact O-N 2.75Å; L398-I419 HydrophobicContact CB-CD1 3.63Å
399R86Confident74.2Confident35 Ų3539.7 Ų39.713%0.13221%0.209CC..EExtended strand (participates in β ladder)trans-143.7141.2172.1-70.1-62.4176.3-109.817.9110.3T351 K353 K395 F401T351-R399 PolarHBondContact N-O 3.36Å; T351-R399 PolarHBondContact O-N 2.86Å; T351-R399 PolarHBondContact OG1-O 2.91Å; K353-R399 HydrophobicContact CB-CG 4.21Å; K353-R399 HydrophobicContact CG-CG 4.41Å; K395-R399 PolarHBondContact O-NH1 2.68Å; K395-R399 VanDerWaalsContact O-NH1 3.09Å; R399-F401 HydrophobicContact CB-CE2 4.03Å
400V88.1Confident75.1Confident1 Ų144.7 Ų44.71%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-104.1143.7180-167.70000109.9V348 I349 I350 I377 K416 V417 I419 L441V348-V400 HydrophobicContact CB-CG1 3.65Å; V348-V400 HydrophobicContact CG1-CG1 4.27Å; V348-V400 HydrophobicContact CG2-CG1 3.82Å; I349-V400 CarbonylContact O-C 3.48Å; I349-V400 WeakPolarHBondContact O-CA 3.37Å; I350-V400 HydrophobicContact CG1-CG1 4.38Å; I350-V400 HydrophobicContact CG1-CG2 4.2Å; I377-V400 HydrophobicContact CD1-CB 4.26Å; I377-V400 HydrophobicContact CD1-CG1 3.62Å; I377-V400 HydrophobicContact CD1-CG2 4.47Å; V400-K416 WeakPolarHBondContact O-CA 3.3Å; V400-V417 PolarHBondContact N-O 2.62Å; V400-V417 PolarHBondContact O-N 2.73Å; V400-I419 HydrophobicContact CG2-CD1 4.06Å; V400-I419 HydrophobicContact CG2-CG1 3.86Å; V400-L441 HydrophobicContact CG2-CD1 4.24Å
401F89.8Confident75.8Confident7 Ų741.9 Ų41.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-129.7132.2176.5-69.4-99.4000109.8V348 I349 T351 R399 F407 R412 R413 I415 K416V348-F401 CarbonylContact C-O 3.56Å; V348-F401 WeakPolarHBondContact CA-O 3.08Å; I349-F401 HydrophobicContact CB-CB 4.42Å; I349-F401 PolarHBondContact N-O 3.27Å; I349-F401 PolarHBondContact O-N 2.82Å; T351-F401 HydrophobicContact CG2-CD2 3.86Å; T351-F401 HydrophobicContact CG2-CE2 4.17Å; T351-F401 WeakPolarHBondContact OG1-CE2 3.26Å; R399-F401 HydrophobicContact CB-CE2 4.03Å; F401-F407 HydrophobicContact CB-CD2 4.26Å; F401-F407 HydrophobicContact CB-CE2 4.38Å; F401-F407 HydrophobicContact CD1-CD2 4.27Å; F401-F407 AromaticContact CD1-CE2 3.96Å; F401-F407 HydrophobicContact CD1-CE2 3.96Å; F401-F407 HydrophobicContact CD2-CD2 4.37Å; F401-F407 AromaticContact CD2-CE2 3.66Å; F401-F407 HydrophobicContact CD2-CE2 3.66Å; F401-F407 HydrophobicContact CD2-CZ 4.39Å; F401-F407 HydrophobicContact CE1-CE2 4.11Å; F401-F407 AromaticContact CE2-CE2 3.84Å; F401-F407 HydrophobicContact CE2-CE2 3.84Å; F401-F407 HydrophobicContact CE2-CZ 4.37Å; F401-F407 HydrophobicContact CG-CD2 4.06Å; F401-F407 AromaticContact CG-CE2 3.74Å; F401-F407 HydrophobicContact CG-CE2 3.74Å; F401-F407 HydrophobicContact CZ-CE2 4.07Å; F401-R412 HydrophobicContact CD1-CB 4.48Å; F401-R412 HydrophobicContact CE1-CB 3.63Å; F401-R412 HydrophobicContact CZ-CB 3.76Å; F401-R412 HydrophobicContact CZ-CG 4.43Å; F401-R413 WeakPolarHBondContact CD1-O 3.4Å; F401-I415 WeakPolarHBondContact CA-O 3.36Å; F401-K416 HydrophobicContact CD1-CB 3.92Å; F401-K416 HydrophobicContact CD1-CG 4.45Å; F401-K416 HydrophobicContact CE1-CB 3.52Å; F401-K416 HydrophobicContact CE1-CD 4.19Å; F401-K416 HydrophobicContact CE1-CG 3.75Å; F401-K416 HydrophobicContact CE2-CG 4.38Å; F401-K416 HydrophobicContact CZ-CB 4.03Å; F401-K416 HydrophobicContact CZ-CD 4.06Å; F401-K416 HydrophobicContact CZ-CG 3.7Å
402A88.1Confident76.9Confident4 Ų444.4 Ų44.43%0.03322%0.224CC..EExtended strand (participates in β ladder)trans-124.2176.7179.100000111.4V348 S404 G414 I415 L447 V453V348-A402 HydrophobicContact CG1-CB 3.78Å; A402-S404 VanDerWaalsContact C-N 3.26Å; A402-S404 PolarHBondContact O-N 2.7Å; A402-S404 VanDerWaalsContact O-N 3.14Å; A402-G414 CarbonylContact O-C 3.56Å; A402-G414 WeakPolarHBondContact O-CA 3.39Å; A402-I415 PolarHBondContact N-O 2.97Å; A402-I415 VanDerWaalsContact N-O 3.07Å; A402-I415 PolarHBondContact O-N 2.87Å; A402-L447 HydrophobicContact CB-CD1 3.79Å; A402-V453 HydrophobicContact CB-CG1 4.01Å
403S84.6Confident78.1Confident38 Ų3845.5 Ų45.527%0.26621%0.214SC..SBendtrans58.326.7170.7173.10000115.4D451S403-D451 WeakPolarHBondContact CB-O 3.22Å; S403-D451 PolarHBondContact OG-O 3.28Å
404S84.2Confident79.3Confident23 Ų2346 Ų4616%0.16122%0.223CC..  trans-155.6120.6168.7-156.10000113.2A402 R406A402-S404 VanDerWaalsContact C-N 3.26Å; A402-S404 PolarHBondContact O-N 2.7Å; A402-S404 VanDerWaalsContact O-N 3.14Å; S404-R406 VanDerWaalsContact C-N 3.25Å; S404-R406 PolarHBondContact O-N 2.82Å
405P80.2Confident80.5Confident22 Ų2248.1 Ų48.114%0.14323%0.233CC..SBendtrans-63-31.6175.223.2-32.6000112M343 R482 M483M343-P405 HydrophobicContact CB-CB 3.76Å; P405-R482 HydrophobicContact CB-CG 4.33Å; P405-R482 CarbonylContact O-C 3.55Å; P405-R482 WeakPolarHBondContact O-CA 3.43Å; P405-M483 PolarHBondContact O-N 3.25Å
406R81.5Confident81.4Confident72 Ų7250.3 Ų50.327%0.27224%0.243SC..  trans-102.288.5-170.9-63.5-169.2-167-176.86.4114.1S404 R413 H481 R482S404-R406 VanDerWaalsContact C-N 3.25Å; S404-R406 PolarHBondContact O-N 2.82Å; R406-R413 WeakPolarHBondContact O-CB 3.09Å; R406-R413 VanDerWaalsContact O-CD 3.28Å; R406-R413 WeakPolarHBondContact O-CD 3.07Å; R406-H481 CarbonylContact C-O 3.57Å; R406-H481 VanDerWaalsContact CA-O 3.25Å; R406-H481 WeakPolarHBondContact CA-O 3.44Å; R406-R482 HydrophobicContact CG-CG 4.4Å
407F81.7Confident82.2Confident1 Ų148 Ų480%0.00423%0.226CC..  trans-106.3132.4175.8178.6-84.5000112.6I349 T351 G356 F401 R412 Y476 H481I349-F407 HydrophobicContact CD1-CB 3.25Å; I349-F407 HydrophobicContact CD1-CD1 4.37Å; I349-F407 HydrophobicContact CD1-CD2 4.31Å; I349-F407 HydrophobicContact CD1-CG 3.75Å; I349-F407 HydrophobicContact CG2-CD1 4.33Å; I349-F407 HydrophobicContact CG2-CG 4.46Å; T351-F407 HydrophobicContact CG2-CE1 3.81Å; T351-F407 HydrophobicContact CG2-CE2 3.98Å; T351-F407 HydrophobicContact CG2-CZ 3.45Å; T351-F407 VanDerWaalsContact CG2-CZ 3.45Å; G356-F407 WeakPolarHBondContact O-CE1 3.44Å; F401-F407 HydrophobicContact CB-CD2 4.26Å; F401-F407 HydrophobicContact CB-CE2 4.38Å; F401-F407 HydrophobicContact CD1-CD2 4.27Å; F401-F407 AromaticContact CD1-CE2 3.96Å; F401-F407 HydrophobicContact CD1-CE2 3.96Å; F401-F407 HydrophobicContact CD2-CD2 4.37Å; F401-F407 AromaticContact CD2-CE2 3.66Å; F401-F407 HydrophobicContact CD2-CE2 3.66Å; F401-F407 HydrophobicContact CD2-CZ 4.39Å; F401-F407 HydrophobicContact CE1-CE2 4.11Å; F401-F407 AromaticContact CE2-CE2 3.84Å; F401-F407 HydrophobicContact CE2-CE2 3.84Å; F401-F407 HydrophobicContact CE2-CZ 4.37Å; F401-F407 HydrophobicContact CG-CD2 4.06Å; F401-F407 AromaticContact CG-CE2 3.74Å; F401-F407 HydrophobicContact CG-CE2 3.74Å; F401-F407 HydrophobicContact CZ-CE2 4.07Å; F407-R412 HydrophobicContact CD2-CB 4.45Å; F407-R412 HydrophobicContact CE2-CB 3.69Å; F407-R412 HydrophobicContact CE2-CG 3.96Å; F407-R412 HydrophobicContact CZ-CB 4.23Å; F407-R412 HydrophobicContact CZ-CG 3.96Å; F407-Y476 HydrophobicContact CB-CE2 4.36Å; F407-Y476 HydrophobicContact CD1-CE2 4.4Å; F407-Y476 VanDerWaalsContact O-CE2 3.32Å; F407-Y476 WeakPolarHBondContact O-CE2 3.37Å; F407-Y476 PolarHBondContact O-OH 3.4Å; F407-H481 PolarHBondContact N-O 2.89Å; F407-H481 CarbonylContact O-C 3.51Å; F407-H481 WeakPolarHBondContact O-CB 3.48Å
408S78.2Confident82.7Confident10 Ų1049.4 Ų49.47%0.0723%0.231CC..BIsolated β-bridgetrans-134.7161.7166.183.10000112.5L410 K411 R412 H481S408-L410 PolarHBondContact O-N 2.93Å; S408-L410 VanDerWaalsContact O-N 3.13Å; S408-K411 PolarHBondContact N-O 2.91Å; S408-K411 CarbonylContact O-C 3.41Å; S408-K411 PolarHBondContact O-N 3.04Å; S408-K411 PolarHBondContact OG-N 3.2Å; S408-R412 PolarHBondContact O-N 3.32Å; S408-H481 WeakPolarHBondContact CB-CD2 3.49Å
409R73.3Confident82.6Confident140 Ų14049.1 Ų49.153%0.52823%0.23SC..THydrogen-bonded Turntrans-53.5-37.5178.1-57-172.3-174.9-174.83.8112.6R412R409-R412 PolarHBondContact O-NE 2.92Å
410L73.3Confident82.5Confident138 Ų13848.6 Ų48.672%0.72323%0.233SC*.THydrogen-bonded Turntrans-80.9-26.8177.8-63.6174.6000113.1S408S408-L410 PolarHBondContact O-N 2.93Å; S408-L410 VanDerWaalsContact O-N 3.13Å
411K70.4Confident82Confident26 Ų2652.4 Ų52.411%0.11325%0.253CS..BIsolated β-bridgetrans-135.578.8-176.6-66.9-168.9176.6-171.50109.7R97 R99 S408 R413R97-K411 WeakPolarHBondContact O-CD 3.27Å; R97-K411 WeakPolarHBondContact O-CE 3.34Å; R97-K411 PolarHBondContact O-NZ 2.62Å; R99-K411 HydrophobicContact CG-CD 4.21Å; R99-K411 VanDerWaalsContact CG-NZ 3.26Å; S408-K411 PolarHBondContact N-O 2.91Å; S408-K411 CarbonylContact O-C 3.41Å; S408-K411 PolarHBondContact O-N 3.04Å; S408-K411 PolarHBondContact OG-N 3.2Å; K411-R413 PolarHBondContact O-N 2.91Å
412R79.2Confident81.3Confident106 Ų10652.2 Ų52.240%0.425%0.253SS..  trans-71.964.3174.9-50.9-177.7-169.8-164.91.4109.7K353 I354 F401 F407 S408 R409K353-R412 PolarHBondContact O-NH1 3.03Å; I354-R412 PolarHBondContact O-NH2 3.32Å; F401-R412 HydrophobicContact CD1-CB 4.48Å; F401-R412 HydrophobicContact CE1-CB 3.63Å; F401-R412 HydrophobicContact CZ-CB 3.76Å; F401-R412 HydrophobicContact CZ-CG 4.43Å; F407-R412 HydrophobicContact CD2-CB 4.45Å; F407-R412 HydrophobicContact CE2-CB 3.69Å; F407-R412 HydrophobicContact CE2-CG 3.96Å; F407-R412 HydrophobicContact CZ-CB 4.23Å; F407-R412 HydrophobicContact CZ-CG 3.96Å; S408-R412 PolarHBondContact O-N 3.32Å; R409-R412 PolarHBondContact O-NE 2.92Å
413R79.4Confident80.6Confident87 Ų8753.5 Ų53.533%0.32826%0.262SS..  trans-68.6166.5174.3-78.7174.8145.9150.1-12.4110.1K98 F401 R406 K411K98-R413 PolarHBondContact O-NH1 3.35Å; K98-R413 VanDerWaalsContact O-NH1 3.16Å; F401-R413 WeakPolarHBondContact CD1-O 3.4Å; R406-R413 WeakPolarHBondContact O-CB 3.09Å; R406-R413 VanDerWaalsContact O-CD 3.28Å; R406-R413 WeakPolarHBondContact O-CD 3.07Å; K411-R413 PolarHBondContact O-N 2.91Å
414G84.5Confident79.9Confident30 Ų3053.1 Ų53.131%0.30926%0.256SS..SBendtrans85.6171.2-174.400000112.4A402 K416A402-G414 CarbonylContact O-C 3.56Å; A402-G414 WeakPolarHBondContact O-CA 3.39Å; G414-K416 PolarHBondContact O-N 2.82Å
415I86.8Confident79.3Confident44 Ų4453.5 Ų53.523%0.22625%0.254CS..EExtended strand (participates in β ladder)trans-84.8114.2-172.3-62.6173.3000108.1F401 A402 V417 L447 D451F401-I415 WeakPolarHBondContact CA-O 3.36Å; A402-I415 PolarHBondContact N-O 2.97Å; A402-I415 VanDerWaalsContact N-O 3.07Å; A402-I415 PolarHBondContact O-N 2.87Å; I415-V417 HydrophobicContact CG2-CG2 4.45Å; I415-L447 HydrophobicContact CB-CD2 4.32Å; I415-L447 HydrophobicContact CG2-CD2 3.64Å; I415-D451 HydrophobicContact CD1-CB 3.59Å; I415-D451 VanDerWaalsContact CD1-O 3.28Å; I415-D451 WeakPolarHBondContact CD1-O 3.36Å; I415-D451 WeakPolarHBondContact CD1-OD1 3.24Å
416K89.5Confident78.5Confident142 Ų14252.8 Ų52.862%0.61725%0.251SS*.EExtended strand (participates in β ladder)trans-87.9113.1-171.8174.9-169.7159.7-157.80110.2V400 F401 G414V400-K416 WeakPolarHBondContact O-CA 3.3Å; F401-K416 HydrophobicContact CD1-CB 3.92Å; F401-K416 HydrophobicContact CD1-CG 4.45Å; F401-K416 HydrophobicContact CE1-CB 3.52Å; F401-K416 HydrophobicContact CE1-CD 4.19Å; F401-K416 HydrophobicContact CE1-CG 3.75Å; F401-K416 HydrophobicContact CE2-CG 4.38Å; F401-K416 HydrophobicContact CZ-CB 4.03Å; F401-K416 HydrophobicContact CZ-CD 4.06Å; F401-K416 HydrophobicContact CZ-CG 3.7Å; G414-K416 PolarHBondContact O-N 2.82Å
417V87.2Confident77.7Confident6 Ų649.9 Ų49.94%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-113.1150176.2-155.90000111V400 I415 L443 R445 L447V400-V417 PolarHBondContact N-O 2.62Å; V400-V417 PolarHBondContact O-N 2.73Å; I415-V417 HydrophobicContact CG2-CG2 4.45Å; V417-L443 HydrophobicContact CB-CD2 3.89Å; V417-L443 HydrophobicContact CG1-CB 4.09Å; V417-L443 HydrophobicContact CG1-CD1 4.17Å; V417-L443 HydrophobicContact CG1-CD2 3.73Å; V417-L443 HydrophobicContact CG1-CG 4.22Å; V417-R445 HydrophobicContact CG1-CB 4.28Å; V417-R445 WeakPolarHBondContact CG1-O 3.47Å; V417-L447 HydrophobicContact CG2-CD1 3.82Å; V417-L447 HydrophobicContact CG2-CD2 3.63Å; V417-L447 HydrophobicContact CG2-CG 3.79Å
418K87.3Confident76.5Confident100 Ų10059.1 Ų59.144%0.43528%0.276SS..  trans-93.1155.6171.3-48.1161.5176.1171.30109.1E444K418-E444 HydrophobicContact CB-CB 4.17Å; K418-E444 HydrophobicContact CB-CG 4.04Å; K418-E444 WeakPolarHBondContact CB-OE1 3.4Å; K418-E444 HydrophobicContact CD-CB 4.48Å; K418-E444 HydrophobicContact CD-CG 4.39Å; K418-E444 WeakPolarHBondContact CD-OE1 3.25Å; K418-E444 WeakPolarHBondContact CD-OE2 3.44Å; K418-E444 WeakPolarHBondContact CE-OE2 3.43Å; K418-E444 IonicContact NZ-OE2 3Å; K418-E444 PolarHBondContact NZ-OE2 3.33Å; K418-E444 PolarHBondContact O-N 2.86Å
419I82.3Confident75.3Confident0 Ų059.5 Ų59.50%028%0.276CS..EExtended strand (participates in β ladder)trans-94.2123.9179.6-62.1152.8000107.7K395 L398 V400 D421 V422 L441 K442K395-I419 WeakPolarHBondContact CG-O 3.27Å; L398-I419 HydrophobicContact CB-CD1 3.63Å; V400-I419 HydrophobicContact CG2-CD1 4.06Å; V400-I419 HydrophobicContact CG2-CG1 3.86Å; I419-D421 WeakPolarHBondContact CG2-O 3.47Å; I419-V422 HydrophobicContact CG2-CG2 3.68Å; I419-L441 HydrophobicContact CD1-CD1 3.82Å; I419-L441 HydrophobicContact CG1-CB 4.48Å; I419-L441 HydrophobicContact CG1-CD1 4.04Å; I419-L441 HydrophobicContact CG2-CB 4.08Å; I419-K442 CarbonylContact C-O 3.54Å
420A82.5Confident74.2Confident23 Ų2354 Ų5419%0.1926%0.262CS..EExtended strand (participates in β ladder)trans-79.8-36.9174.400000111.9K395 K442 L443 E444K395-A420 WeakPolarHBondContact CD-O 3.41Å; K395-A420 WeakPolarHBondContact CE-O 3.36Å; K395-A420 PolarHBondContact NZ-O 2.94Å; A420-K442 HydrophobicContact CB-CB 4.4Å; A420-K442 HydrophobicContact CB-CG 4.32Å; A420-K442 PolarHBondContact N-O 2.8Å; A420-L443 VanDerWaalsContact CB-O 3.32Å; A420-L443 WeakPolarHBondContact CB-O 3.36Å; A420-E444 HydrophobicContact CB-CG 3.87Å
421D79.1Confident73Confident81 Ų8154.5 Ų54.543%0.43327%0.266SS..EExtended strand (participates in β ladder)trans-154.9160-179.1-166.325.9000112.6I419 L441 K442I419-D421 WeakPolarHBondContact CG2-O 3.47Å; D421-L441 WeakPolarHBondContact O-CA 2.98Å; D421-K442 HydrophobicContact CB-CB 3.97Å; D421-K442 PolarHBondContact N-O 3Å; D421-K442 PolarHBondContact O-N 2.95Å
422V74.1Confident72.1Confident3 Ų361 Ų612%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-136.1105.2-174.2-176.30000110.1L391 A394 I419 L441L391-V422 HydrophobicContact CD1-CB 4.29Å; L391-V422 HydrophobicContact CD1-CG1 4.02Å; L391-V422 WeakPolarHBondContact CD1-O 3.23Å; L391-V422 WeakPolarHBondContact CD2-O 3.33Å; L391-V422 HydrophobicContact CG-CB 4.33Å; L391-V422 WeakPolarHBondContact CG-O 3.13Å; A394-V422 HydrophobicContact CB-CG1 4.32Å; A394-V422 HydrophobicContact CB-CG2 4Å; I419-V422 HydrophobicContact CG2-CG2 3.68Å; V422-L441 HydrophobicContact CB-CD2 4.23Å; V422-L441 HydrophobicContact CG1-CD2 3.78Å; V422-L441 HydrophobicContact CG2-CD2 4.05Å
423S72.7Confident70.7Confident32 Ų3261.4 Ų61.422%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-96.5125.7174.8-51.90000110.7Y425 A439 I440S423-Y425 VanDerWaalsContact CB-OH 3.29Å; S423-Y425 WeakPolarHBondContact CB-OH 3.42Å; S423-A439 WeakPolarHBondContact O-CA 3.45Å; S423-A439 WeakPolarHBondContact O-CB 3.26Å; S423-I440 PolarHBondContact N-O 3.2Å; S423-I440 PolarHBondContact O-N 2.89Å
424L70.8Confident69.6Low29 Ų2960.2 Ų60.215%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-105.5115.5176.2-80.6177.5000111.1L386 L391 A439 T576 L577L386-L424 HydrophobicContact CB-CD2 4.37Å; L386-L424 HydrophobicContact CD1-CD2 3.63Å; L391-L424 HydrophobicContact CD1-CB 4.43Å; L391-L424 HydrophobicContact CD1-CD1 3.66Å; L391-L424 HydrophobicContact CD1-CG 3.82Å; L424-A439 HydrophobicContact CD2-CB 3.92Å; L424-T576 WeakPolarHBondContact O-CA 3.35Å; L424-L577 HydrophobicContact CB-CB 4.49Å; L424-L577 PolarHBondContact O-N 3.38Å; L424-L577 VanDerWaalsContact O-N 3.15Å
425Y70.7Confident68.3Low31 Ų3164 Ų6412%0.12232%0.315CS..EExtended strand (participates in β ladder)trans-106128.5179.8-59.5-74.7000111.4S423 G437 I438 I440 V568 V574 T576S423-Y425 VanDerWaalsContact CB-OH 3.29Å; S423-Y425 WeakPolarHBondContact CB-OH 3.42Å; Y425-G437 WeakPolarHBondContact O-CA 3.44Å; Y425-G437 PolarHBondContact O-N 3.08Å; Y425-I438 HydrophobicContact CD2-CG1 4.24Å; Y425-I438 HydrophobicContact CG-CG1 4.47Å; Y425-I438 PolarHBondContact N-O 2.91Å; Y425-I438 PolarHBondContact O-N 3.15Å; Y425-I440 HydrophobicContact CD2-CG1 4.39Å; Y425-I440 HydrophobicContact CE2-CB 4.31Å; Y425-I440 HydrophobicContact CE2-CD1 4.09Å; Y425-I440 HydrophobicContact CE2-CG1 4.02Å; Y425-V568 HydrophobicContact CD1-CG2 3.6Å; Y425-V568 HydrophobicContact CD2-CG2 3.91Å; Y425-V568 HydrophobicContact CE1-CB 4.48Å; Y425-V568 HydrophobicContact CE1-CG1 4.12Å; Y425-V568 HydrophobicContact CE1-CG2 3.48Å; Y425-V568 VanDerWaalsContact CE1-CG2 3.48Å; Y425-V568 HydrophobicContact CE2-CB 4.43Å; Y425-V568 HydrophobicContact CE2-CG1 3.79Å; Y425-V568 HydrophobicContact CE2-CG2 3.79Å; Y425-V568 HydrophobicContact CG-CG2 3.81Å; Y425-V568 VanDerWaalsContact CZ-CG1 3.48Å; Y425-V568 WeakPolarHBondContact OH-CG1 3.13Å; Y425-V574 HydrophobicContact CD1-CB 3.97Å; Y425-V574 HydrophobicContact CD1-CG1 3.79Å; Y425-V574 HydrophobicContact CE1-CB 4.43Å; Y425-V574 HydrophobicContact CG-CG1 4.34Å; Y425-T576 HydrophobicContact CD1-CG2 3.76Å; Y425-T576 HydrophobicContact CE1-CG2 3.52Å
426G64.3Low66.9Low7 Ų766.9 Ų66.97%0.07232%0.324CS..EExtended strand (participates in β ladder)trans-78.7144.6176.900000113T434 R435 P575G426-T434 VanDerWaalsContact CA-CG2 3.43Å; G426-R435 WeakPolarHBondContact CA-O 3.04Å; G426-P575 PolarHBondContact N-O 3.44Å
427L63.8Low65.8Low12 Ų1260.3 Ų60.36%0.06330%0.296CS..EExtended strand (participates in β ladder)trans-95127.4163.1-71.2167.2000108.2W429 T434 R435 Y506 L541 V564L427-W429 PolarHBondContact O-N 3.01Å; L427-T434 CarbonylContact O-C 3.53Å; L427-T434 WeakPolarHBondContact O-CA 3.47Å; L427-R435 PolarHBondContact N-O 2.97Å; L427-R435 PolarHBondContact O-N 2.94Å; L427-Y506 HydrophobicContact CB-CE2 4.2Å; L427-Y506 HydrophobicContact CD1-CE1 3.91Å; L427-Y506 HydrophobicContact CD1-CE2 4.06Å; L427-Y506 HydrophobicContact CD2-CE2 3.79Å; L427-Y506 WeakPolarHBondContact CD2-OH 3.35Å; L427-Y506 HydrophobicContact CG-CE2 4.23Å; L427-L541 HydrophobicContact CD1-CD1 4.05Å; L427-V564 HydrophobicContact CD2-CG2 3.68Å
428R57.7Low65.2Low195 Ų19560.1 Ų60.174%0.73630%0.295SS*.EExtended strand (participates in β ladder)trans-60.8130.6169.7-74.4-178.8170.4171.6-4.6109
429W52.2Low64.7Low18 Ų1855.4 Ų55.47%0.06827%0.274CS..EExtended strand (participates in β ladder)trans-127.584.6-177.2-175.1-80.4000108L427 E433 R435 A498 Y506L427-W429 PolarHBondContact O-N 3.01Å; W429-E433 HydrophobicContact CB-CB 4.31Å; W429-E433 PolarHBondContact N-O 2.87Å; W429-E433 WeakPolarHBondContact O-CB 3.48Å; W429-R435 HydrophobicContact CB-CB 4Å; W429-R435 HydrophobicContact CB-CG 3.7Å; W429-R435 HydrophobicContact CD2-CB 4.49Å; W429-R435 VanDerWaalsContact CD2-CD 3.46Å; W429-R435 HydrophobicContact CD2-CG 3.91Å; W429-R435 HydrophobicContact CE3-CB 4.26Å; W429-R435 VanDerWaalsContact CE3-CD 3.48Å; W429-R435 HydrophobicContact CE3-CG 4.07Å; W429-R435 HydrophobicContact CG-CB 4.37Å; W429-R435 HydrophobicContact CG-CG 3.69Å; W429-R435 VanDerWaalsContact CZ2-CZ 3.43Å; W429-A498 HydrophobicContact CH2-CB 3.96Å; W429-A498 WeakPolarHBondContact CH2-O 3.39Å; W429-A498 HydrophobicContact CZ3-CB 4.23Å; W429-Y506 VanDerWaalsContact CE3-CB 3.44Å; W429-Y506 HydrophobicContact CE3-CG 4.08Å; W429-Y506 HydrophobicContact CZ3-CD1 4.28Å; W429-Y506 HydrophobicContact CZ3-CG 4.05Å
430G50.3Low64.5Low24 Ų2456 Ų5625%0.24728%0.278CS..THydrogen-bonded Turntrans64.2-161.4-168.400000113.7N432G430-N432 VanDerWaalsContact C-N 3.32Å; G430-N432 PolarHBondContact O-N 3.32Å
431N49.3Very low64.3Low148 Ų14855.1 Ų55.179%0.79127%0.27SS*.THydrogen-bonded Turntrans-73.5-18.3-152.6-58.917.7000114.8
432N49.7Very low64.4Low163 Ų16356.7 Ų56.787%0.87227%0.273SS*.THydrogen-bonded Turntrans-151.8-8.3175.1-95.2-41.5000115.6G430G430-N432 VanDerWaalsContact C-N 3.32Å; G430-N432 PolarHBondContact O-N 3.32Å
433E50.9Low64.9Low115 Ų11557.2 Ų57.254%0.53728%0.275SS..EExtended strand (participates in β ladder)trans-79.5138.1172.8-67.3-168.417100110.8W429W429-E433 HydrophobicContact CB-CB 4.31Å; W429-E433 PolarHBondContact N-O 2.87Å; W429-E433 WeakPolarHBondContact O-CB 3.48Å
434T55.1Low65.5Low61 Ų6160.3 Ų60.337%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-111.7107.2168.7-64.60000108.7G426 L427 L577G426-T434 VanDerWaalsContact CA-CG2 3.43Å; L427-T434 CarbonylContact O-C 3.53Å; L427-T434 WeakPolarHBondContact O-CA 3.47Å; T434-L577 HydrophobicContact CG2-CD2 4.22Å
435R57.4Low66Low109 Ų10964.1 Ų64.141%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-80.6156.7175.4-79.6-157.3-171.7167.32.7112G426 L427 W429 G437G426-R435 WeakPolarHBondContact CA-O 3.04Å; L427-R435 PolarHBondContact N-O 2.97Å; L427-R435 PolarHBondContact O-N 2.94Å; W429-R435 HydrophobicContact CB-CB 4Å; W429-R435 HydrophobicContact CB-CG 3.7Å; W429-R435 HydrophobicContact CD2-CB 4.49Å; W429-R435 VanDerWaalsContact CD2-CD 3.46Å; W429-R435 HydrophobicContact CD2-CG 3.91Å; W429-R435 HydrophobicContact CE3-CB 4.26Å; W429-R435 VanDerWaalsContact CE3-CD 3.48Å; W429-R435 HydrophobicContact CE3-CG 4.07Å; W429-R435 HydrophobicContact CG-CB 4.37Å; W429-R435 HydrophobicContact CG-CG 3.69Å; W429-R435 VanDerWaalsContact CZ2-CZ 3.43Å; R435-G437 PolarHBondContact O-N 2.89Å; R435-G437 VanDerWaalsContact O-N 3.1Å
436R58.9Low66.5Low106 Ų10665.4 Ų65.440%0.431%0.31SS..EExtended strand (participates in β ladder)trans-64.6107.4179.5-60159.5-173.3175.2-4.5109I382 D384 L387I382-R436 HydrophobicContact CG2-CB 3.76Å; D384-R436 IonicContact OD1-NH1 2.71Å; D384-R436 PolarHBondContact OD1-NH1 3.14Å; D384-R436 WeakPolarHBondContact OD2-CD 3.26Å; D384-R436 IonicContact OD2-CZ 3.34Å; D384-R436 IonicContact OD2-NH1 3.6Å; D384-R436 PolarHBondContact OD2-NH1 3.22Å; L387-R436 HydrophobicContact CD1-CG 4.44Å
437G66.1Low67.4Low4 Ų465 Ų654%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-98.9-101.6-172.800000113.4N381 Y425 R435N381-G437 CarbonylContact C-O 3.6Å; Y425-G437 WeakPolarHBondContact O-CA 3.44Å; Y425-G437 PolarHBondContact O-N 3.08Å; R435-G437 PolarHBondContact O-N 2.89Å; R435-G437 VanDerWaalsContact O-N 3.1Å
438I74.6Confident68.3Low2 Ų265.6 Ų65.61%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-120.9162.4-165.182.7155000110.1L380 Y425 V564L380-I438 HydrophobicContact CB-CB 4.12Å; L380-I438 HydrophobicContact CB-CG2 4.48Å; L380-I438 HydrophobicContact CD2-CB 3.73Å; L380-I438 HydrophobicContact CD2-CD1 3.85Å; L380-I438 HydrophobicContact CD2-CG1 4.42Å; L380-I438 HydrophobicContact CD2-CG2 3.65Å; L380-I438 HydrophobicContact CG-CB 3.75Å; L380-I438 HydrophobicContact CG-CD1 4.13Å; L380-I438 HydrophobicContact CG-CG2 4.2Å; Y425-I438 HydrophobicContact CD2-CG1 4.24Å; Y425-I438 HydrophobicContact CG-CG1 4.47Å; Y425-I438 PolarHBondContact N-O 2.91Å; Y425-I438 PolarHBondContact O-N 3.15Å; I438-V564 HydrophobicContact CD1-CB 3.78Å; I438-V564 HydrophobicContact CD1-CG1 3.72Å; I438-V564 HydrophobicContact CG1-CB 4.29Å; I438-V564 HydrophobicContact CG1-CG1 3.88Å
439A75.7Confident69.4Low0 Ų061.1 Ų61.10%030%0.295CS..EExtended strand (participates in β ladder)trans-139.7152.4175.400000111.3V379 L380 L386 S423 L424V379-A439 CarbonylContact C-O 3.54Å; V379-A439 PolarHBondContact N-O 2.02Å; V379-A439 CarbonylContact O-C 3.54Å; V379-A439 WeakPolarHBondContact O-CB 3.48Å; V379-A439 VanDerWaalsContact O-O 3.06Å; L380-A439 PolarHBondContact N-O 3.43Å; L386-A439 HydrophobicContact CD1-CB 3.96Å; S423-A439 WeakPolarHBondContact O-CA 3.45Å; S423-A439 WeakPolarHBondContact O-CB 3.26Å; L424-A439 HydrophobicContact CD2-CB 3.92Å
440I77.9Confident70.8Confident14 Ų1468.1 Ų68.17%0.07233%0.328CS..EExtended strand (participates in β ladder)trans-126.6132.6175-56.6-174.1000107.5S423 Y425 V568 F569S423-I440 PolarHBondContact N-O 3.2Å; S423-I440 PolarHBondContact O-N 2.89Å; Y425-I440 HydrophobicContact CD2-CG1 4.39Å; Y425-I440 HydrophobicContact CE2-CB 4.31Å; Y425-I440 HydrophobicContact CE2-CD1 4.09Å; Y425-I440 HydrophobicContact CE2-CG1 4.02Å; I440-V568 HydrophobicContact CD1-CB 4.28Å; I440-V568 HydrophobicContact CD1-CG1 3.71Å; I440-F569 HydrophobicContact CD1-CE1 4.04Å; I440-F569 HydrophobicContact CD1-CE2 4.44Å; I440-F569 HydrophobicContact CD1-CZ 3.88Å
441L79.3Confident72.4Confident3 Ų367.8 Ų67.82%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-113.3113.1-178.3-47.4-171.4000109.2I377 V379 V400 I419 D421 V422I377-L441 PolarHBondContact N-O 2.72Å; I377-L441 PolarHBondContact O-N 2.91Å; I377-L441 VanDerWaalsContact O-O 3.14Å; V379-L441 HydrophobicContact CB-CD1 3.72Å; V379-L441 HydrophobicContact CB-CG 3.77Å; V379-L441 HydrophobicContact CG1-CD1 4.37Å; V379-L441 HydrophobicContact CG2-CB 4.41Å; V379-L441 HydrophobicContact CG2-CD1 3.33Å; V379-L441 HydrophobicContact CG2-CG 3.63Å; V400-L441 HydrophobicContact CG2-CD1 4.24Å; I419-L441 HydrophobicContact CD1-CD1 3.82Å; I419-L441 HydrophobicContact CG1-CB 4.48Å; I419-L441 HydrophobicContact CG1-CD1 4.04Å; I419-L441 HydrophobicContact CG2-CB 4.08Å; D421-L441 WeakPolarHBondContact O-CA 2.98Å; V422-L441 HydrophobicContact CB-CD2 4.23Å; V422-L441 HydrophobicContact CG1-CD2 3.78Å; V422-L441 HydrophobicContact CG2-CD2 4.05Å
442K81.7Confident74.1Confident114 Ų11465.3 Ų65.350%0.49631%0.308SS..EExtended strand (participates in β ladder)trans-72135.4168.1-168.4169.9179.5169.90108.3I419 A420 D421I419-K442 CarbonylContact C-O 3.54Å; A420-K442 HydrophobicContact CB-CB 4.4Å; A420-K442 HydrophobicContact CB-CG 4.32Å; A420-K442 PolarHBondContact N-O 2.8Å; D421-K442 HydrophobicContact CB-CB 3.97Å; D421-K442 PolarHBondContact N-O 3Å; D421-K442 PolarHBondContact O-N 2.95Å
443L84.1Confident75.9Confident15 Ų1557.6 Ų57.68%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-85.6154.5176.4-68.6179.1000112.3I377 V417 A420 R445 L447I377-L443 HydrophobicContact CD1-CD1 3.78Å; I377-L443 HydrophobicContact CD1-CD2 3.54Å; I377-L443 HydrophobicContact CD1-CG 3.9Å; I377-L443 HydrophobicContact CG1-CD1 3.8Å; I377-L443 HydrophobicContact CG1-CD2 4Å; I377-L443 HydrophobicContact CG1-CG 3.85Å; V417-L443 HydrophobicContact CB-CD2 3.89Å; V417-L443 HydrophobicContact CG1-CB 4.09Å; V417-L443 HydrophobicContact CG1-CD1 4.17Å; V417-L443 HydrophobicContact CG1-CD2 3.73Å; V417-L443 HydrophobicContact CG1-CG 4.22Å; A420-L443 VanDerWaalsContact CB-O 3.32Å; A420-L443 WeakPolarHBondContact CB-O 3.36Å; L443-R445 VanDerWaalsContact C-N 3.34Å; L443-R445 WeakPolarHBondContact CB-O 3.16Å; L443-R445 VanDerWaalsContact CD1-O 3.25Å; L443-R445 WeakPolarHBondContact CD1-O 3.09Å; L443-L447 HydrophobicContact CD1-CD1 3.87Å; L443-L447 HydrophobicContact CD1-CG 3.95Å
444E84Confident77.7Confident96 Ų9652.1 Ų52.145%0.44924%0.241SC..SBendtrans-75.4-20.7165.4-75.8-177.2-130.500113K418 A420K418-E444 HydrophobicContact CB-CB 4.17Å; K418-E444 HydrophobicContact CB-CG 4.04Å; K418-E444 WeakPolarHBondContact CB-OE1 3.4Å; K418-E444 HydrophobicContact CD-CB 4.48Å; K418-E444 HydrophobicContact CD-CG 4.39Å; K418-E444 WeakPolarHBondContact CD-OE1 3.25Å; K418-E444 WeakPolarHBondContact CD-OE2 3.44Å; K418-E444 WeakPolarHBondContact CE-OE2 3.43Å; K418-E444 IonicContact NZ-OE2 3Å; K418-E444 PolarHBondContact NZ-OE2 3.33Å; K418-E444 PolarHBondContact O-N 2.86Å; A420-E444 HydrophobicContact CB-CG 3.87Å
445R83.2Confident79.3Confident110 Ų11049.3 Ų49.342%0.41522%0.223SC..SBendtrans-139.1133.8171.2-170-17065.7103.8-4.5109V417 L443 D451V417-R445 HydrophobicContact CG1-CB 4.28Å; V417-R445 WeakPolarHBondContact CG1-O 3.47Å; L443-R445 VanDerWaalsContact C-N 3.34Å; L443-R445 WeakPolarHBondContact CB-O 3.16Å; L443-R445 VanDerWaalsContact CD1-O 3.25Å; L443-R445 WeakPolarHBondContact CD1-O 3.09Å; R445-D451 IonicContact CZ-OD1 3.34Å; R445-D451 IonicContact CZ-OD2 2.71Å; R445-D451 IonicContact NH1-OD1 2.79Å; R445-D451 PolarHBondContact NH1-OD1 3.39Å; R445-D451 IonicContact NH1-OD2 2.69Å; R445-D451 PolarHBondContact NH1-OD2 2.8Å; R445-D451 IonicContact NH2-OD1 3.09Å; R445-D451 PolarHBondContact NH2-OD1 3.14Å; R445-D451 IonicContact NH2-OD2 3.48Å; R445-D451 PolarHBondContact NH2-OD2 2.77Å; R445-D451 VanDerWaalsContact NH2-OD2 3.09Å
446P80.6Confident80.9Confident57 Ų5744.2 Ų44.237%0.3720%0.204SC..  trans-57.7161.616924-32.9000112.4D373 Y375D373-P446 WeakPolarHBondContact O-CB 3.34Å; D373-P446 WeakPolarHBondContact O-CG 3.38Å; Y375-P446 HydrophobicContact CD2-CB 3.92Å
447L83.5Confident82.5Confident0 Ų039.5 Ų39.50%019%0.188CC..  trans-121.7105.9178.5-80.6171.4000109.4L364 Y375 I377 A402 I415 V417 L443 D451 V453L364-L447 HydrophobicContact CD1-CD1 4.38Å; L364-L447 HydrophobicContact CD2-CB 4.27Å; L364-L447 HydrophobicContact CD2-CD1 4.13Å; Y375-L447 VanDerWaalsContact CD1-O 3.27Å; Y375-L447 WeakPolarHBondContact CD1-O 3.14Å; Y375-L447 WeakPolarHBondContact CD2-O 3.08Å; Y375-L447 WeakPolarHBondContact CE1-O 3.43Å; Y375-L447 WeakPolarHBondContact CE2-O 3.47Å; I377-L447 HydrophobicContact CD1-CD1 4.31Å; A402-L447 HydrophobicContact CB-CD1 3.79Å; I415-L447 HydrophobicContact CB-CD2 4.32Å; I415-L447 HydrophobicContact CG2-CD2 3.64Å; V417-L447 HydrophobicContact CG2-CD1 3.82Å; V417-L447 HydrophobicContact CG2-CD2 3.63Å; V417-L447 HydrophobicContact CG2-CG 3.79Å; L443-L447 HydrophobicContact CD1-CD1 3.87Å; L443-L447 HydrophobicContact CD1-CG 3.95Å; L447-D451 WeakPolarHBondContact CA-OD2 3.35Å; L447-D451 HydrophobicContact CD2-CB 3.84Å; L447-V453 HydrophobicContact CB-CG2 3.79Å; L447-V453 WeakPolarHBondContact O-CG2 3.42Å
448S81.5Confident83.6Confident23 Ų2341.2 Ų41.216%0.16120%0.196CC..  trans-96.1-178.4-17080.30000113.5E450 D451 V453S448-E450 PolarHBondContact O-N 2.04Å; S448-E450 WeakPolarHBondContact OG-CB 3.36Å; S448-E450 PolarHBondContact OG-N 2.81Å; S448-E450 VanDerWaalsContact OG-N 3.09Å; S448-D451 PolarHBondContact N-OD2 2.86Å; S448-D451 WeakPolarHBondContact O-CA 3.24Å; S448-D451 VanDerWaalsContact O-CB 3.29Å; S448-D451 WeakPolarHBondContact O-CB 3.38Å; S448-D451 PolarHBondContact O-N 3.25Å; S448-V453 WeakPolarHBondContact O-CG2 2.97Å
449R80.3Confident84.4Confident102 Ų10241.1 Ų41.139%0.38520%0.196SC..G310 helixtrans-54.9-30.1167.9-177.5-179.2171.2-156.5-3113V319 T326 F327 D451 N452V319-R449 HydrophobicContact CG2-CB 4.41Å; T326-R449 VanDerWaalsContact O-CZ 3.25Å; T326-R449 PolarHBondContact O-NE 3.29Å; T326-R449 PolarHBondContact O-NH2 3.13Å; F327-R449 HydrophobicContact CE1-CG 3.85Å; F327-R449 HydrophobicContact CZ-CG 4.36Å; R449-D451 VanDerWaalsContact C-N 3.26Å; R449-D451 PolarHBondContact O-N 3.45Å; R449-N452 WeakPolarHBondContact O-CA 3.46Å; R449-N452 PolarHBondContact O-N 2.76Å
450E82Confident84.9Confident165 Ų16548.5 Ų48.577%0.77123%0.23SC*.G310 helixtrans-69.4-27.6176.2-55.3175.5161.700111.6S448 N452S448-E450 PolarHBondContact O-N 2.04Å; S448-E450 WeakPolarHBondContact OG-CB 3.36Å; S448-E450 PolarHBondContact OG-N 2.81Å; S448-E450 VanDerWaalsContact OG-N 3.09Å; E450-N452 PolarHBondContact O-N 2.95Å; E450-N452 PolarHBondContact O-ND2 3.27Å
451D84.1Confident85.2Confident17 Ų1754.9 Ų54.99%0.09125%0.253CS..G310 helixtrans-78.711.8169.2-65.2-66.8000112.8S403 I415 R445 L447 S448 R449 V453S403-D451 WeakPolarHBondContact CB-O 3.22Å; S403-D451 PolarHBondContact OG-O 3.28Å; I415-D451 HydrophobicContact CD1-CB 3.59Å; I415-D451 VanDerWaalsContact CD1-O 3.28Å; I415-D451 WeakPolarHBondContact CD1-O 3.36Å; I415-D451 WeakPolarHBondContact CD1-OD1 3.24Å; R445-D451 IonicContact CZ-OD1 3.34Å; R445-D451 IonicContact CZ-OD2 2.71Å; R445-D451 IonicContact NH1-OD1 2.79Å; R445-D451 PolarHBondContact NH1-OD1 3.39Å; R445-D451 IonicContact NH1-OD2 2.69Å; R445-D451 PolarHBondContact NH1-OD2 2.8Å; R445-D451 IonicContact NH2-OD1 3.09Å; R445-D451 PolarHBondContact NH2-OD1 3.14Å; R445-D451 IonicContact NH2-OD2 3.48Å; R445-D451 PolarHBondContact NH2-OD2 2.77Å; R445-D451 VanDerWaalsContact NH2-OD2 3.09Å; L447-D451 WeakPolarHBondContact CA-OD2 3.35Å; L447-D451 HydrophobicContact CD2-CB 3.84Å; S448-D451 PolarHBondContact N-OD2 2.86Å; S448-D451 WeakPolarHBondContact O-CA 3.24Å; S448-D451 VanDerWaalsContact O-CB 3.29Å; S448-D451 WeakPolarHBondContact O-CB 3.38Å; S448-D451 PolarHBondContact O-N 3.25Å; R449-D451 VanDerWaalsContact C-N 3.26Å; R449-D451 PolarHBondContact O-N 3.45Å; D451-V453 HydrophobicContact CB-CG2 4.29Å; D451-V453 PolarHBondContact O-N 3.35Å
452N85.8Confident85.2Confident96 Ų9656.7 Ų56.751%0.51327%0.272SS..THydrogen-bonded Turntrans53.736.9-177.8-55.8-88.7000113.9R449 E450R449-N452 WeakPolarHBondContact O-CA 3.46Å; R449-N452 PolarHBondContact O-N 2.76Å; E450-N452 PolarHBondContact O-N 2.95Å; E450-N452 PolarHBondContact O-ND2 3.27Å
453V87.4Confident85.4Confident0 Ų053 Ų530%026%0.261CS..  trans-125.8156.4173.3-60.60000112.1P345 L364 A402 L447 S448 D451P345-V453 WeakPolarHBondContact O-CA 3.49Å; P345-V453 WeakPolarHBondContact O-CB 3.46Å; P345-V453 VanDerWaalsContact O-CG1 3.24Å; P345-V453 WeakPolarHBondContact O-CG1 3.29Å; L364-V453 HydrophobicContact CD1-CB 3.69Å; L364-V453 HydrophobicContact CD1-CG1 3.89Å; L364-V453 HydrophobicContact CD1-CG2 3.8Å; A402-V453 HydrophobicContact CB-CG1 4.01Å; L447-V453 HydrophobicContact CB-CG2 3.79Å; L447-V453 WeakPolarHBondContact O-CG2 3.42Å; S448-V453 WeakPolarHBondContact O-CG2 2.97Å; D451-V453 HydrophobicContact CB-CG2 4.29Å; D451-V453 PolarHBondContact O-N 3.35Å
454V88.3Confident85.3Confident0 Ų054.7 Ų54.70%027%0.272CS..  trans-137.6149.6163.6-690000108.3V319 T324 F327 P345 W346V319-V454 HydrophobicContact CG1-CB 4.41Å; V319-V454 HydrophobicContact CG1-CG1 3.69Å; T324-V454 HydrophobicContact CG2-CG2 4.19Å; F327-V454 HydrophobicContact CE2-CB 4.43Å; F327-V454 HydrophobicContact CE2-CG1 3.73Å; F327-V454 HydrophobicContact CE2-CG2 4.06Å; F327-V454 HydrophobicContact CZ-CG1 3.92Å; P345-V454 CarbonylContact C-O 3.51Å; P345-V454 HydrophobicContact CB-CG2 4.02Å; P345-V454 HydrophobicContact CG-CG2 3.57Å; W346-V454 VanDerWaalsContact CA-O 3.23Å; W346-V454 WeakPolarHBondContact CA-O 2.97Å; W346-V454 VanDerWaalsContact CB-O 3.31Å; W346-V454 WeakPolarHBondContact CB-O 3.38Å; W346-V454 HydrophobicContact CE3-CG2 4.07Å; W346-V454 HydrophobicContact CZ3-CG2 4.12Å; W346-V454 PolarHBondContact N-O 3.17Å
455P89.2Confident85.2Confident2 Ų250.3 Ų50.31%0.01325%0.252CS..PPolyproline II helixtrans-7615417830.6-33.1000111.3C321 G322 L364 I366 Y375C321-P455 CarbonylContact C-O 3.52Å; C321-P455 WeakPolarHBondContact CA-O 3.35Å; C321-P455 HydrophobicContact CB-CG 4.44Å; G322-P455 PolarHBondContact N-O 3.09Å; L364-P455 HydrophobicContact CB-CB 4.42Å; L364-P455 CarbonylContact O-C 3.42Å; L364-P455 VanDerWaalsContact O-CA 3.29Å; L364-P455 WeakPolarHBondContact O-CA 3.39Å; I366-P455 HydrophobicContact CD1-CG 3.77Å; I366-P455 HydrophobicContact CG1-CB 3.87Å; I366-P455 HydrophobicContact CG1-CG 3.41Å; I366-P455 VanDerWaalsContact CG1-CG 3.41Å; Y375-P455 HydrophobicContact CD1-CG 4.33Å; Y375-P455 HydrophobicContact CE1-CG 4.35Å
456V91.2Very high84.9Confident2 Ų246.5 Ų46.51%0.01224%0.241CC..PPolyproline II helixtrans-85150.4169.7690000110.5W346 L364 Q365 I527 A534 Q536W346-V456 HydrophobicContact CB-CB 4.12Å; W346-V456 HydrophobicContact CD2-CB 3.75Å; W346-V456 HydrophobicContact CD2-CG2 4.23Å; W346-V456 HydrophobicContact CE3-CB 4.13Å; W346-V456 HydrophobicContact CG-CB 3.73Å; W346-V456 HydrophobicContact CG-CG1 4.38Å; L364-V456 PolarHBondContact O-N 3.06Å; Q365-V456 HydrophobicContact CG-CG1 4.19Å; V456-I527 HydrophobicContact CB-CD1 4.36Å; V456-I527 HydrophobicContact CG1-CD1 4.45Å; V456-I527 HydrophobicContact CG2-CD1 3.78Å; V456-A534 HydrophobicContact CG2-CB 4.08Å; V456-A534 WeakPolarHBondContact CG2-O 3.44Å; V456-Q536 HydrophobicContact CG1-CB 3.88Å; V456-Q536 HydrophobicContact CG2-CB 4.17Å
457C91.4Very high84.1Confident8 Ų846.7 Ų46.75%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-72.9149.6169-59.90000110.9C321 A534 Y535 Q536C321-C457 HydrophobicContact CB-CB 4Å; C321-C457 WeakPolarHBondContact CB-SG 3.21Å; C321-C457 PolarHBondContact O-SG 3.13Å; C321-C457 WeakPolarHBondContact SG-CA 3.22Å; C321-C457 WeakPolarHBondContact SG-CB 3.2Å; C321-C457 CovalentContact SG-SG 2.05Å; C321-C457 PolarHBondContact SG-SG 3.1Å; C457-A534 PolarHBondContact N-O 3.11Å; C457-Y535 HydrophobicContact CB-CD1 3.6Å; C457-Y535 HydrophobicContact CB-CE1 3.85Å; C457-Y535 HydrophobicContact CB-CG 4.36Å; C457-Q536 PolarHBondContact O-N 3.48Å
458L89.4Confident83.4Confident39 Ų3949.5 Ų49.520%0.20426%0.255CS..EExtended strand (participates in β ladder)trans-75.2139.4162.2-55.2-176.6000108.7Q365 I562 A565 F569Q365-L458 VanDerWaalsContact CD-CD2 3.42Å; Q365-L458 HydrophobicContact CG-CD2 4.19Å; L458-I562 HydrophobicContact CB-CG1 4.35Å; L458-I562 HydrophobicContact CD2-CD1 3.95Å; L458-I562 HydrophobicContact CD2-CG1 3.81Å; L458-A565 HydrophobicContact CD1-CB 4.4Å; L458-A565 HydrophobicContact CD2-CB 4.5Å; L458-F569 HydrophobicContact CD1-CD2 3.91Å; L458-F569 HydrophobicContact CD1-CE2 4.19Å
459A91Very high83.2Confident1 Ų148.6 Ų48.61%0.00825%0.249CC..PPolyproline II helixtrans-67.2159.6162.800000110.7Q536 Y537 I562 H566A459-Q536 WeakPolarHBondContact CB-O 3.42Å; A459-Q536 PolarHBondContact N-O 3.08Å; A459-Y537 HydrophobicContact CB-CD1 3.31Å; A459-Y537 HydrophobicContact CB-CD2 3.8Å; A459-Y537 HydrophobicContact CB-CE1 3.35Å; A459-Y537 HydrophobicContact CB-CE2 3.82Å; A459-Y537 HydrophobicContact CB-CG 3.54Å; A459-I562 HydrophobicContact CB-CG2 4.39Å; A459-H566 PolarHBondContact O-NE2 3.16Å
460E87.4Confident83.3Confident155 Ų15544.1 Ų44.172%0.72423%0.233SC*.PPolyproline II helixtrans-62.7152.5-178-68174.8-171.800112.9G462 S463E460-G462 PolarHBondContact O-N 2.93Å; E460-S463 PolarHBondContact N-OG 3.41Å; E460-S463 WeakPolarHBondContact O-CB 3.48Å; E460-S463 PolarHBondContact O-N 3.38Å; E460-S463 PolarHBondContact O-OG 2.97Å
461R83.8Confident83.6Confident148 Ų14836.3 Ų36.356%0.55820%0.196SC*.THydrogen-bonded Turntrans-64.6121.5-176.2-164.3178.2-174.6-81.2-2.1110.1S463 N563 D567R461-S463 VanDerWaalsContact C-N 3.31Å; R461-N563 WeakPolarHBondContact CA-OD1 3.31Å; R461-N563 WeakPolarHBondContact CG-OD1 3.03Å; R461-D567 IonicContact CZ-OD1 3.9Å; R461-D567 IonicContact CZ-OD2 3.71Å; R461-D567 IonicContact NE-OD1 2.77Å; R461-D567 PolarHBondContact NE-OD1 2.81Å; R461-D567 VanDerWaalsContact NE-OD1 3.11Å; R461-D567 IonicContact NE-OD2 3.51Å; R461-D567 IonicContact NH2-OD1 2.76Å; R461-D567 PolarHBondContact NH2-OD1 2.88Å; R461-D567 IonicContact NH2-OD2 2.89Å; R461-D567 PolarHBondContact NH2-OD2 3.3Å
462G79.2Confident84Confident40 Ų4036.1 Ų36.141%0.41219%0.194SC..THydrogen-bonded Turntrans84.8-8.9-17600000115.1E460 N563E460-G462 PolarHBondContact O-N 2.93Å; G462-N563 PolarHBondContact N-OD1 3.3Å
463S85.1Confident84.2Confident36 Ų3631.6 Ų31.625%0.25217%0.17SC..  trans-71.6146-177.668.90000113E460 R461 Y537E460-S463 PolarHBondContact N-OG 3.41Å; E460-S463 WeakPolarHBondContact O-CB 3.48Å; E460-S463 PolarHBondContact O-N 3.38Å; E460-S463 PolarHBondContact O-OG 2.97Å; R461-S463 VanDerWaalsContact C-N 3.31Å; S463-Y537 WeakPolarHBondContact OG-CE1 3.45Å
464V82.1Confident84.4Confident51 Ų5131.6 Ų31.631%0.30917%0.17SC..  trans-105157.3163.8-68.30000108.9A494 H495 Y537V464-A494 HydrophobicContact CB-CB 3.86Å; V464-A494 HydrophobicContact CG1-CB 3.79Å; V464-A494 HydrophobicContact CG2-CB 4.27Å; V464-H495 WeakPolarHBondContact CG1-CE1 3.23Å; V464-H495 VanDerWaalsContact CG1-NE2 3.26Å; V464-H495 WeakPolarHBondContact CG1-NE2 3.4Å; V464-Y537 VanDerWaalsContact O-CE1 3.27Å; V464-Y537 WeakPolarHBondContact O-CE1 3.45Å
465P83.8Confident84.4Confident5 Ų532 Ų323%0.03217%0.172CC..  trans-65.3133.1-178.9-6.718.8000110A469 C471 I490 M526 C528 Y537P465-A469 HydrophobicContact CB-CB 4.44Å; P465-C471 VanDerWaalsContact CB-SG 3.53Å; P465-I490 HydrophobicContact CB-CD1 3.66Å; P465-I490 HydrophobicContact CG-CD1 3.77Å; P465-I490 HydrophobicContact CG-CG1 4.45Å; P465-M526 HydrophobicContact CG-CE 3.81Å; P465-C528 HydrophobicContact CB-CB 4Å; P465-C528 VanDerWaalsContact CB-SG 3.53Å; P465-C528 VanDerWaalsContact CG-SG 3.55Å; P465-Y537 VanDerWaalsContact CA-CE1 3.48Å; P465-Y537 HydrophobicContact CB-CD1 4.22Å; P465-Y537 HydrophobicContact CB-CD2 3.93Å; P465-Y537 HydrophobicContact CB-CE1 4.2Å; P465-Y537 HydrophobicContact CB-CE2 3.91Å; P465-Y537 HydrophobicContact CB-CG 4.09Å; P465-Y537 HydrophobicContact CG-CD1 3.87Å; P465-Y537 HydrophobicContact CG-CD2 3.87Å; P465-Y537 HydrophobicContact CG-CE1 4.34Å; P465-Y537 HydrophobicContact CG-CE2 4.34Å; P465-Y537 HydrophobicContact CG-CG 3.61Å
466P76.9Confident84.4Confident30 Ų3032.3 Ų32.320%0.19517%0.173CC..  trans-64.6146.6-178.826.9-33.3000109.4F468 A469 V530 Y537P466-F468 HydrophobicContact CB-CD1 4.15Å; P466-F468 HydrophobicContact CB-CE1 3.67Å; P466-F468 HydrophobicContact CB-CE2 4.3Å; P466-F468 HydrophobicContact CB-CZ 3.74Å; P466-F468 HydrophobicContact CG-CD2 4.48Å; P466-F468 HydrophobicContact CG-CE1 4.13Å; P466-F468 HydrophobicContact CG-CE2 3.88Å; P466-F468 HydrophobicContact CG-CZ 3.67Å; P466-F468 PolarHBondContact O-N 2.73Å; P466-A469 HydrophobicContact CG-CB 4.14Å; P466-A469 WeakPolarHBondContact O-CB 3.5Å; P466-A469 PolarHBondContact O-N 3.11Å; P466-V530 HydrophobicContact CG-CG1 4.29Å; P466-V530 HydrophobicContact CG-CG2 4.04Å; P466-Y537 WeakPolarHBondContact CD-OH 3.26Å
467P63.1Low84.4Confident60 Ų6032.8 Ų32.839%0.3918%0.176SC..THydrogen-bonded Turntrans-63-22.8-167.9-26.336.1000115.1A469 Y965 S1044P467-A469 VanDerWaalsContact C-N 3.26Å; P467-A469 PolarHBondContact O-N 2.84Å; P467-Y965 HydrophobicContact CB-CE1 3.93Å; P467-Y965 VanDerWaalsContact CB-OH 3.27Å; P467-Y965 WeakPolarHBondContact CB-OH 3.26Å; P467-Y965 HydrophobicContact CG-CE1 4.35Å; P467-S1044 VanDerWaalsContact O-CB 3.26Å; P467-S1044 WeakPolarHBondContact O-CB 2.97Å; P467-S1044 PolarHBondContact O-OG 2.93Å
468F68.4Low84.1Confident60 Ų6037.1 Ų37.126%0.26319%0.194SC..THydrogen-bonded Turntrans-74.7-9.5172.860.6-103.8000114.2P466 V530 Y968 L1042P466-F468 HydrophobicContact CB-CD1 4.15Å; P466-F468 HydrophobicContact CB-CE1 3.67Å; P466-F468 HydrophobicContact CB-CE2 4.3Å; P466-F468 HydrophobicContact CB-CZ 3.74Å; P466-F468 HydrophobicContact CG-CD2 4.48Å; P466-F468 HydrophobicContact CG-CE1 4.13Å; P466-F468 HydrophobicContact CG-CE2 3.88Å; P466-F468 HydrophobicContact CG-CZ 3.67Å; P466-F468 PolarHBondContact O-N 2.73Å; F468-V530 HydrophobicContact CE2-CG1 4.12Å; F468-Y968 HydrophobicContact CD1-CE2 4.43Å; F468-Y968 HydrophobicContact CE1-CE2 4.23Å; F468-Y968 WeakPolarHBondContact CE1-OH 3.44Å; F468-L1042 HydrophobicContact CB-CD2 4.2Å
469A77.6Confident83.8Confident4 Ų443.5 Ų43.53%0.03322%0.215CC..SBendtrans-71.1133.4-178.600000112P465 P466 P467 C471 C528 L529 V530P465-A469 HydrophobicContact CB-CB 4.44Å; P466-A469 HydrophobicContact CG-CB 4.14Å; P466-A469 WeakPolarHBondContact O-CB 3.5Å; P466-A469 PolarHBondContact O-N 3.11Å; P467-A469 VanDerWaalsContact C-N 3.26Å; P467-A469 PolarHBondContact O-N 2.84Å; A469-C471 PolarHBondContact O-N 3.43Å; A469-C528 HydrophobicContact CB-CB 4.13Å; A469-L529 WeakPolarHBondContact CA-O 3.49Å; A469-V530 HydrophobicContact CB-CG2 3.95Å
470S83Confident83.5Confident7 Ų746.2 Ų46.25%0.04923%0.228CC..EExtended strand (participates in β ladder)trans-80.5104.6166.7-58.80000108.5Y472 L529 K1034S470-Y472 WeakPolarHBondContact O-CD2 3.28Å; S470-Y472 WeakPolarHBondContact O-CE2 3.4Å; S470-L529 PolarHBondContact O-N 3.05Å; S470-K1034 PolarHBondContact OG-NZ 3.19Å
471C88.6Confident83.5Confident1 Ų142 Ų421%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-93.9140.7177.9-68.90000112.3P465 A469 I487 V488 I527 C528P465-C471 VanDerWaalsContact CB-SG 3.53Å; A469-C471 PolarHBondContact O-N 3.43Å; C471-I487 WeakPolarHBondContact O-CA 3.17Å; C471-I487 WeakPolarHBondContact O-CG1 3.48Å; C471-V488 HydrophobicContact CB-CG2 3.96Å; C471-V488 PolarHBondContact O-N 2.87Å; C471-I527 CarbonylContact C-O 3.6Å; C471-I527 WeakPolarHBondContact CA-O 3.47Å; C471-C528 HydrophobicContact CB-CB 4.13Å; C471-C528 WeakPolarHBondContact CB-SG 3.47Å; C471-C528 WeakPolarHBondContact SG-CB 3.11Å; C471-C528 CovalentContact SG-SG 2.04Å; C471-C528 PolarHBondContact SG-SG 3.03Å
472Y91.1Very high83.7Confident13 Ų1337.4 Ų37.45%0.05119%0.19CC..EExtended strand (participates in β ladder)trans-134.6148.4-177.3-60-92000110.6V335 F344 S470 E486 I487 I527 L529V335-Y472 HydrophobicContact CB-CD1 4.22Å; V335-Y472 HydrophobicContact CB-CE1 3.65Å; V335-Y472 HydrophobicContact CB-CE2 4.4Å; V335-Y472 HydrophobicContact CG1-CD1 3.73Å; V335-Y472 HydrophobicContact CG1-CD2 4.38Å; V335-Y472 HydrophobicContact CG1-CE1 3.71Å; V335-Y472 HydrophobicContact CG1-CE2 4.37Å; V335-Y472 HydrophobicContact CG1-CG 4.09Å; V335-Y472 HydrophobicContact CG2-CE1 4.04Å; V335-Y472 HydrophobicContact CG2-CE2 3.94Å; F344-Y472 HydrophobicContact CZ-CD2 4.38Å; F344-Y472 HydrophobicContact CZ-CG 4.49Å; S470-Y472 WeakPolarHBondContact O-CD2 3.28Å; S470-Y472 WeakPolarHBondContact O-CE2 3.4Å; Y472-E486 CarbonylContact C-O 3.23Å; Y472-E486 VanDerWaalsContact CA-O 3.26Å; Y472-E486 WeakPolarHBondContact CA-O 3.14Å; Y472-I487 HydrophobicContact CD1-CB 3.87Å; Y472-I487 HydrophobicContact CD1-CG1 4.3Å; Y472-I487 HydrophobicContact CE1-CB 3.69Å; Y472-I487 HydrophobicContact CE1-CD1 4.24Å; Y472-I487 HydrophobicContact CE1-CG1 3.95Å; Y472-I527 PolarHBondContact N-O 2.9Å; Y472-I527 PolarHBondContact O-N 2.58Å; Y472-L529 HydrophobicContact CD2-CD1 4.48Å; Y472-L529 HydrophobicContact CD2-CG 4.31Å; Y472-L529 HydrophobicContact CE2-CD1 3.85Å; Y472-L529 HydrophobicContact CE2-CG 4.03Å
473V90.4Very high84.1Confident2 Ų235.5 Ų35.51%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-123.2132.5167.667.60000111.4E486 V488 Q521 A524 Y559V473-E486 PolarHBondContact N-O 2.97Å; V473-E486 PolarHBondContact O-N 3.48Å; V473-V488 HydrophobicContact CB-CG1 4.32Å; V473-V488 HydrophobicContact CG1-CG1 3.57Å; V473-Q521 HydrophobicContact CG2-CG 3.96Å; V473-A524 HydrophobicContact CG2-CB 3.52Å; V473-Y559 WeakPolarHBondContact CB-OH 3.06Å; V473-Y559 HydrophobicContact CG2-CE1 4.08Å; V473-Y559 VanDerWaalsContact CG2-OH 3.23Å; V473-Y559 WeakPolarHBondContact CG2-OH 3.44Å
474T90.5Very high84.1Confident0 Ų034.9 Ų34.90%017%0.165CC..EExtended strand (participates in β ladder)trans-75.7132.5175.5-42.50000111.1N347 I361 M483 D484 E485 A524N347-T474 HydrophobicContact CB-CG2 4.46Å; N347-T474 VanDerWaalsContact ND2-CG2 3.32Å; N347-T474 WeakPolarHBondContact ND2-CG2 3.31Å; N347-T474 PolarHBondContact ND2-OG1 2.97Å; I361-T474 HydrophobicContact CD1-CG2 4.16Å; I361-T474 WeakPolarHBondContact CD1-O 3.07Å; I361-T474 HydrophobicContact CG2-CG2 4.4Å; T474-M483 HydrophobicContact CG2-CB 4.3Å; T474-M483 HydrophobicContact CG2-CE 3.79Å; T474-D484 CarbonylContact C-O 3.5Å; T474-D484 WeakPolarHBondContact CA-O 3.49Å; T474-E485 VanDerWaalsContact CA-OE2 3.23Å; T474-E485 WeakPolarHBondContact CA-OE2 3.36Å; T474-E485 WeakPolarHBondContact CB-OE2 3.25Å; T474-E485 WeakPolarHBondContact CG2-OE2 3.48Å; T474-E485 PolarHBondContact OG1-OE2 2.88Å; T474-A524 WeakPolarHBondContact O-CB 3.47Å
475H89.8Confident84.5Confident8 Ų834 Ų344%0.03716%0.157CC..EExtended strand (participates in β ladder)trans-130.8143.1172.262.3-93.3000110.8M483 D484 E486 Y519H475-M483 VanDerWaalsContact O-CA 3.31Å; H475-M483 WeakPolarHBondContact O-CA 3.26Å; H475-D484 PolarHBondContact CE1-O 2.9Å; H475-D484 PolarHBondContact N-O 3.4Å; H475-D484 PolarHBondContact ND1-O 3.14Å; H475-D484 WeakPolarHBondContact NE2-CB 2.8Å; H475-D484 PolarHBondContact O-N 3.21Å; H475-E486 IonicContact CE1-OE2 2.81Å; H475-E486 IonicContact ND1-OE2 2.75Å; H475-Y519 HydrophobicContact CB-CD2 3.67Å; H475-Y519 HydrophobicContact CB-CE2 4.21Å; H475-Y519 HydrophobicContact CB-CG 4.11Å; H475-Y519 AromaticContact CD2-CD1 3.85Å; H475-Y519 AromaticContact CD2-CD2 3.31Å; H475-Y519 WeakPolarHBondContact CD2-CD2 3.37Å; H475-Y519 AromaticContact CD2-CE1 3.66Å; H475-Y519 AromaticContact CD2-CE2 3.07Å; H475-Y519 WeakPolarHBondContact CD2-CE2 3.37Å; H475-Y519 AromaticContact CD2-CG 3.7Å; H475-Y519 AromaticContact CD2-CZ 3.28Å; H475-Y519 AromaticContact CE1-CE2 3.67Å; H475-Y519 AromaticContact CG-CD2 3.44Å; H475-Y519 VanDerWaalsContact CG-CD2 3.44Å; H475-Y519 AromaticContact CG-CE2 3.45Å; H475-Y519 VanDerWaalsContact CG-CE2 3.45Å; H475-Y519 AromaticContact ND1-CE2 3.81Å; H475-Y519 AromaticContact NE2-CD2 3.96Å; H475-Y519 AromaticContact NE2-CE1 3.89Å; H475-Y519 AromaticContact NE2-CE2 3.21Å; H475-Y519 WeakPolarHBondContact NE2-CE2 3.36Å; H475-Y519 AromaticContact NE2-CZ 3.17Å; H475-Y519 PolarHBondContact NE2-OH 3.14Å
476Y89.7Confident84.4Confident9 Ų936.4 Ų36.44%0.03517%0.168CC..EExtended strand (participates in β ladder)trans-99.6113.8173.4170-93.2000109.7I349 T358 F407 K478 H481 R482 M483 Y519 V520I349-Y476 HydrophobicContact CD1-CD2 4.48Å; T358-Y476 HydrophobicContact CG2-CD1 3.74Å; T358-Y476 HydrophobicContact CG2-CE1 4.2Å; T358-Y476 HydrophobicContact CG2-CG 4Å; T358-Y476 WeakPolarHBondContact OG1-CE1 3.4Å; F407-Y476 HydrophobicContact CB-CE2 4.36Å; F407-Y476 HydrophobicContact CD1-CE2 4.4Å; F407-Y476 VanDerWaalsContact O-CE2 3.32Å; F407-Y476 WeakPolarHBondContact O-CE2 3.37Å; F407-Y476 PolarHBondContact O-OH 3.4Å; Y476-K478 HydrophobicContact CD1-CG 4.39Å; Y476-K478 HydrophobicContact CE1-CG 4.15Å; Y476-K478 PolarHBondContact O-N 2.97Å; Y476-H481 PolarHBondContact OH-ND1 3.16Å; Y476-R482 CarbonylContact C-O 3.55Å; Y476-R482 WeakPolarHBondContact CA-O 3.26Å; Y476-M483 HydrophobicContact CD2-CG 4.03Å; Y476-Y519 CarbonylContact O-C 3.46Å; Y476-Y519 WeakPolarHBondContact O-CA 3.35Å; Y476-V520 HydrophobicContact CD1-CB 4.35Å; Y476-V520 HydrophobicContact CD1-CG2 4.07Å; Y476-V520 PolarHBondContact N-O 2.99Å; Y476-V520 PolarHBondContact O-N 3.17Å
477D89.1Confident84.7Confident12 Ų1236.2 Ų36.26%0.06417%0.165CC..EExtended strand (participates in β ladder)trans-77.2120.2173.7-1731.5000111.4R479 E480 H481 R482 H518 Y519D477-R479 VanDerWaalsContact C-N 3.27Å; D477-R479 PolarHBondContact O-N 3.24Å; D477-R479 WeakPolarHBondContact OD1-CB 3.24Å; D477-R479 PolarHBondContact OD1-N 3.44Å; D477-E480 HydrophobicContact CB-CB 4.16Å; D477-E480 PolarHBondContact OD2-N 3.16Å; D477-H481 VanDerWaalsContact O-CA 3.31Å; D477-H481 WeakPolarHBondContact O-CA 3.35Å; D477-H481 PolarHBondContact O-N 2.85Å; D477-R482 PolarHBondContact N-O 3.43Å; D477-H518 IonicContact OD1-CD2 2.7Å; D477-H518 PolarHBondContact OD1-CD2 3.49Å; D477-H518 VanDerWaalsContact OD1-CD2 3.29Å; D477-H518 IonicContact OD2-CD2 2.97Å; D477-Y519 HydrophobicContact CB-CD1 3.96Å; D477-Y519 HydrophobicContact CB-CE1 3.86Å
478K85.3Confident85.5Confident99 Ų9933.7 Ų33.743%0.4315%0.149SC..THydrogen-bonded Turntrans-68.7-21.9174.5-62.3166-151.5142.40113.3Y476 H481 H518 Y519 V520Y476-K478 HydrophobicContact CD1-CG 4.39Å; Y476-K478 HydrophobicContact CE1-CG 4.15Å; Y476-K478 PolarHBondContact O-N 2.97Å; K478-H481 PolarHBondContact O-CE1 2.99Å; K478-H481 PolarHBondContact O-ND1 3.37Å; K478-H518 VanDerWaalsContact CB-O 3.28Å; K478-H518 WeakPolarHBondContact CB-O 3.49Å; K478-H518 WeakPolarHBondContact CD-O 3.47Å; K478-H518 WeakPolarHBondContact CE-O 3.31Å; K478-H518 WeakPolarHBondContact CG-O 3.16Å; K478-H518 PolarHBondContact N-O 2.6Å; K478-H518 PolarHBondContact NZ-O 2.93Å; K478-Y519 WeakPolarHBondContact CE-O 3.09Å; K478-Y519 PolarHBondContact NZ-O 2.88Å; K478-V520 HydrophobicContact CD-CG2 4.33Å; K478-V520 HydrophobicContact CG-CG2 4.22Å
479R84.9Confident85.6Confident173 Ų17332.1 Ų32.165%0.65314%0.142SC*.THydrogen-bonded Turntrans-82.1-59.7174.8-64.2173164.8-172.6-9.5110.2D477 H481 H518D477-R479 VanDerWaalsContact C-N 3.27Å; D477-R479 PolarHBondContact O-N 3.24Å; D477-R479 WeakPolarHBondContact OD1-CB 3.24Å; D477-R479 PolarHBondContact OD1-N 3.44Å; R479-H481 PolarHBondContact O-N 2.89Å; R479-H518 HydrophobicContact CG-CB 4.15Å
480E84.3Confident85.5Confident58 Ų5832.8 Ų32.827%0.27115%0.145SC..THydrogen-bonded Turntrans-72.9-15.1-178.1-78.2-51.3100.900115.1K98 D477 R482K98-E480 WeakPolarHBondContact CD-O 3.41Å; K98-E480 WeakPolarHBondContact CE-O 3.42Å; K98-E480 IonicContact NZ-OE1 3.1Å; K98-E480 PolarHBondContact NZ-OE1 2.97Å; K98-E480 IonicContact NZ-OE2 2.77Å; K98-E480 PolarHBondContact NZ-OE2 2.77Å; D477-E480 HydrophobicContact CB-CB 4.16Å; D477-E480 PolarHBondContact OD2-N 3.16Å; E480-R482 HydrophobicContact CB-CB 4.25Å; E480-R482 PolarHBondContact O-N 3.39Å
481H87.5Confident84.6Confident65 Ų6533.1 Ų33.130%0.30115%0.147SC..THydrogen-bonded Turntrans56.738.3-176.4-64.7-18.3000111.1R406 F407 S408 Y476 D477 K478 R479R406-H481 CarbonylContact C-O 3.57Å; R406-H481 VanDerWaalsContact CA-O 3.25Å; R406-H481 WeakPolarHBondContact CA-O 3.44Å; F407-H481 PolarHBondContact N-O 2.89Å; F407-H481 CarbonylContact O-C 3.51Å; F407-H481 WeakPolarHBondContact O-CB 3.48Å; S408-H481 WeakPolarHBondContact CB-CD2 3.49Å; Y476-H481 PolarHBondContact OH-ND1 3.16Å; D477-H481 VanDerWaalsContact O-CA 3.31Å; D477-H481 WeakPolarHBondContact O-CA 3.35Å; D477-H481 PolarHBondContact O-N 2.85Å; K478-H481 PolarHBondContact O-CE1 2.99Å; K478-H481 PolarHBondContact O-ND1 3.37Å; R479-H481 PolarHBondContact O-N 2.89Å
482R87.5Confident83Confident52 Ų5236.4 Ų36.420%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-129147.4-177-175.316666.9139.25.2110.2P405 R406 Y476 D477 E480 D484P405-R482 HydrophobicContact CB-CG 4.33Å; P405-R482 CarbonylContact O-C 3.55Å; P405-R482 WeakPolarHBondContact O-CA 3.43Å; R406-R482 HydrophobicContact CG-CG 4.4Å; Y476-R482 CarbonylContact C-O 3.55Å; Y476-R482 WeakPolarHBondContact CA-O 3.26Å; D477-R482 PolarHBondContact N-O 3.43Å; E480-R482 HydrophobicContact CB-CB 4.25Å; E480-R482 PolarHBondContact O-N 3.39Å; R482-D484 WeakPolarHBondContact CD-OD1 3.48Å; R482-D484 IonicContact CZ-OD1 2.66Å; R482-D484 IonicContact CZ-OD2 3.77Å; R482-D484 IonicContact NE-OD1 2.74Å; R482-D484 PolarHBondContact NE-OD1 3.18Å; R482-D484 IonicContact NE-OD2 2.75Å; R482-D484 PolarHBondContact NE-OD2 3.28Å; R482-D484 IonicContact NH1-OD1 3.76Å; R482-D484 PolarHBondContact NH1-OD1 3.14Å; R482-D484 VanDerWaalsContact NH1-OD1 3.07Å; R482-D484 IonicContact NH2-OD1 3.33Å; R482-D484 PolarHBondContact NH2-OD1 2.88Å; R482-D484 IonicContact NH2-OD2 2.74Å; R482-D484 PolarHBondContact NH2-OD2 3.46Å
483M87.4Confident81.6Confident1 Ų140.6 Ų40.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-93.2130.9160-65.5178.697.600109M343 N347 I349 I361 P405 T474 H475 Y476M343-M483 HydrophobicContact CB-CB 4.38Å; M343-M483 HydrophobicContact CG-CB 4.05Å; M343-M483 HydrophobicContact CG-SD 4.24Å; M343-M483 HydrophobicContact SD-CB 4.1Å; M343-M483 HydrophobicContact SD-CE 4.4Å; M343-M483 HydrophobicContact SD-CG 4.32Å; M343-M483 HydrophobicContact SD-SD 3.29Å; N347-M483 HydrophobicContact CB-CE 4.31Å; I349-M483 HydrophobicContact CD1-CG 3.95Å; I349-M483 HydrophobicContact CD1-SD 3.5Å; I349-M483 VanDerWaalsContact CD1-SD 3.5Å; I349-M483 HydrophobicContact CG1-CE 3.82Å; I349-M483 HydrophobicContact CG1-CG 4.1Å; I349-M483 HydrophobicContact CG1-SD 3.15Å; I349-M483 WeakPolarHBondContact CG1-SD 3.34Å; I361-M483 HydrophobicContact CB-CE 4.21Å; I361-M483 HydrophobicContact CD1-CE 3.77Å; I361-M483 HydrophobicContact CG1-CE 3.77Å; I361-M483 HydrophobicContact CG2-CE 3.58Å; P405-M483 PolarHBondContact O-N 3.25Å; T474-M483 HydrophobicContact CG2-CB 4.3Å; T474-M483 HydrophobicContact CG2-CE 3.79Å; H475-M483 VanDerWaalsContact O-CA 3.31Å; H475-M483 WeakPolarHBondContact O-CA 3.26Å; Y476-M483 HydrophobicContact CD2-CG 4.03Å
484D85.7Confident80.5Confident23 Ų2341.1 Ų41.112%0.12319%0.187CC..EExtended strand (participates in β ladder)trans-133.9148.1-176.4-76.8-44.2000109.5T474 H475 R482T474-D484 CarbonylContact C-O 3.5Å; T474-D484 WeakPolarHBondContact CA-O 3.49Å; H475-D484 PolarHBondContact CE1-O 2.9Å; H475-D484 PolarHBondContact N-O 3.4Å; H475-D484 PolarHBondContact ND1-O 3.14Å; H475-D484 WeakPolarHBondContact NE2-CB 2.8Å; H475-D484 PolarHBondContact O-N 3.21Å; R482-D484 WeakPolarHBondContact CD-OD1 3.48Å; R482-D484 IonicContact CZ-OD1 2.66Å; R482-D484 IonicContact CZ-OD2 3.77Å; R482-D484 IonicContact NE-OD1 2.74Å; R482-D484 PolarHBondContact NE-OD1 3.18Å; R482-D484 IonicContact NE-OD2 2.75Å; R482-D484 PolarHBondContact NE-OD2 3.28Å; R482-D484 IonicContact NH1-OD1 3.76Å; R482-D484 PolarHBondContact NH1-OD1 3.14Å; R482-D484 VanDerWaalsContact NH1-OD1 3.07Å; R482-D484 IonicContact NH2-OD1 3.33Å; R482-D484 PolarHBondContact NH2-OD1 2.88Å; R482-D484 IonicContact NH2-OD2 2.74Å; R482-D484 PolarHBondContact NH2-OD2 3.46Å
485E89.1Confident79.7Confident33 Ų3343.9 Ų43.915%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-101.7124-178.2-42.6-61.4165.800108.6V335 F344 N347 T474V335-E485 HydrophobicContact CG1-CB 3.96Å; V335-E485 HydrophobicContact CG1-CG 4.3Å; F344-E485 HydrophobicContact CD2-CB 4.49Å; F344-E485 HydrophobicContact CD2-CG 3.7Å; F344-E485 WeakPolarHBondContact CD2-OE2 3.45Å; F344-E485 HydrophobicContact CE2-CB 4.15Å; F344-E485 HydrophobicContact CE2-CG 3.81Å; F344-E485 HydrophobicContact CG-CG 4.37Å; F344-E485 PolarHBondContact N-OE1 2.77Å; N347-E485 PolarHBondContact ND2-OE1 3.1Å; N347-E485 PolarHBondContact ND2-OE2 2.9Å; T474-E485 VanDerWaalsContact CA-OE2 3.23Å; T474-E485 WeakPolarHBondContact CA-OE2 3.36Å; T474-E485 WeakPolarHBondContact CB-OE2 3.25Å; T474-E485 WeakPolarHBondContact CG2-OE2 3.48Å; T474-E485 PolarHBondContact OG1-OE2 2.88Å
486E83.5Confident78.7Confident55 Ų5544.5 Ų44.526%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-110.7127179.2-180157.8-166.400110.3Y472 V473 H475 K516Y472-E486 CarbonylContact C-O 3.23Å; Y472-E486 VanDerWaalsContact CA-O 3.26Å; Y472-E486 WeakPolarHBondContact CA-O 3.14Å; V473-E486 PolarHBondContact N-O 2.97Å; V473-E486 PolarHBondContact O-N 3.48Å; H475-E486 IonicContact CE1-OE2 2.81Å; H475-E486 IonicContact ND1-OE2 2.75Å; E486-K516 IonicContact OE1-NZ 3.41Å; E486-K516 PolarHBondContact OE1-NZ 3.37Å; E486-K516 IonicContact OE2-NZ 2.64Å; E486-K516 PolarHBondContact OE2-NZ 3Å
487I82.3Confident77.6Confident25 Ų2548 Ų4813%0.12822%0.223CC..EExtended strand (participates in β ladder)trans-67132.2176.4-166.7170.9000109.9C471 Y472 P1030 T1031C471-I487 WeakPolarHBondContact O-CA 3.17Å; C471-I487 WeakPolarHBondContact O-CG1 3.48Å; Y472-I487 HydrophobicContact CD1-CB 3.87Å; Y472-I487 HydrophobicContact CD1-CG1 4.3Å; Y472-I487 HydrophobicContact CE1-CB 3.69Å; Y472-I487 HydrophobicContact CE1-CD1 4.24Å; Y472-I487 HydrophobicContact CE1-CG1 3.95Å; I487-P1030 HydrophobicContact CD1-CB 4.09Å; I487-P1030 HydrophobicContact CG2-CB 4.01Å; I487-T1031 WeakPolarHBondContact CG2-OG1 3.2Å
488V80Confident76Confident8 Ų848 Ų485%0.04823%0.225CC..  trans-122.9132.2-175.5-72.30000111.3C471 V473 T511 E513C471-V488 HydrophobicContact CB-CG2 3.96Å; C471-V488 PolarHBondContact O-N 2.87Å; V473-V488 HydrophobicContact CB-CG1 4.32Å; V473-V488 HydrophobicContact CG1-CG1 3.57Å; V488-T511 HydrophobicContact CB-CG2 3.98Å; V488-T511 HydrophobicContact CG2-CG2 3.93Å; V488-E513 HydrophobicContact CG1-CG 3.94Å
489M69.5Low74.4Confident27 Ų2744.6 Ų44.613%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-83.1120.8171.9-63.2-176.6-70.700109T511 I512 P1030 P1043 K1107M489-T511 CarbonylContact O-C 3.51Å; M489-T511 WeakPolarHBondContact O-CA 3.47Å; M489-I512 HydrophobicContact CB-CB 4.4Å; M489-I512 HydrophobicContact CE-CB 4.33Å; M489-I512 HydrophobicContact CE-CD1 4.49Å; M489-I512 HydrophobicContact CE-CG2 4.18Å; M489-I512 PolarHBondContact O-N 3.16Å; M489-P1030 HydrophobicContact CG-CG 4.23Å; M489-P1030 HydrophobicContact SD-CG 4.15Å; M489-P1043 WeakPolarHBondContact CG-O 3.35Å; M489-K1107 PolarHBondContact SD-NZ 3.14Å
490I75.6Confident72.5Confident18 Ų1837.7 Ų37.79%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-65.4143.1168.6-37.1163.3000108P465 A494 V509P465-I490 HydrophobicContact CB-CD1 3.66Å; P465-I490 HydrophobicContact CG-CD1 3.77Å; P465-I490 HydrophobicContact CG-CG1 4.45Å; I490-A494 HydrophobicContact CG2-CB 3.64Å; I490-V509 HydrophobicContact CG2-CG1 4.39Å
491T64.1Low70.4Confident13 Ų1341.1 Ų41.18%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-70.3147.416745.50000110.3N493 A494 C510 I512 L556T491-N493 VanDerWaalsContact C-N 3.34Å; T491-N493 WeakPolarHBondContact CB-O 3.32Å; T491-N493 CarbonylContact O-C 3.57Å; T491-N493 VanDerWaalsContact O-C 3.23Å; T491-N493 PolarHBondContact O-N 2.89Å; T491-N493 PolarHBondContact OG1-O 3.14Å; T491-A494 VanDerWaalsContact O-CA 3.24Å; T491-A494 WeakPolarHBondContact O-CA 3.42Å; T491-A494 PolarHBondContact O-N 2.8Å; T491-C510 HydrophobicContact CG2-CB 4.28Å; T491-C510 PolarHBondContact N-O 2.63Å; T491-C510 WeakPolarHBondContact OG1-CB 3.42Å; T491-C510 PolarHBondContact OG1-O 3.01Å; T491-I512 HydrophobicContact CG2-CG1 3.99Å; T491-L556 HydrophobicContact CG2-CD2 4.19Å
492R54.9Low68.3Low71 Ų7148 Ų4827%0.26826%0.257SS..EExtended strand (participates in β ladder)trans-52.1-52.4179.4-82.6-178.4-164.4-127.8-15.7112.2A494 K1107 E1109 N1112R492-A494 PolarHBondContact O-N 3.27Å; R492-K1107 PolarHBondContact NH2-O 3.29Å; R492-E1109 VanDerWaalsContact CD-CD 3.49Å; R492-E1109 WeakPolarHBondContact CD-OE1 3.26Å; R492-E1109 WeakPolarHBondContact CG-OE1 3.25Å; R492-E1109 IonicContact NE-OE1 2.76Å; R492-E1109 PolarHBondContact NE-OE1 3.26Å; R492-N1112 VanDerWaalsContact NH1-CG 3.3Å; R492-N1112 PolarHBondContact NH1-ND2 3.27Å; R492-N1112 PolarHBondContact NH1-OD1 3.33Å
493N62.1Low66.1Low100 Ų10047.1 Ų47.154%0.53526%0.262SS..EExtended strand (participates in β ladder)trans-70.988.2159.2-68.5-8.2000106.8T491 H495T491-N493 VanDerWaalsContact C-N 3.34Å; T491-N493 WeakPolarHBondContact CB-O 3.32Å; T491-N493 CarbonylContact O-C 3.57Å; T491-N493 VanDerWaalsContact O-C 3.23Å; T491-N493 PolarHBondContact O-N 2.89Å; T491-N493 PolarHBondContact OG1-O 3.14Å; N493-H495 VanDerWaalsContact C-N 3.26Å; N493-H495 CarbonylContact C-O 3.59Å; N493-H495 PolarHBondContact O-N 3.29Å
494A67.2Low64.1Low13 Ų1350.2 Ų50.211%0.10728%0.282CS..EExtended strand (participates in β ladder)trans-61.6-41.2-17900000109.9V464 I490 T491 R492 V509 C510V464-A494 HydrophobicContact CB-CB 3.86Å; V464-A494 HydrophobicContact CG1-CB 3.79Å; V464-A494 HydrophobicContact CG2-CB 4.27Å; I490-A494 HydrophobicContact CG2-CB 3.64Å; T491-A494 VanDerWaalsContact O-CA 3.24Å; T491-A494 WeakPolarHBondContact O-CA 3.42Å; T491-A494 PolarHBondContact O-N 2.8Å; R492-A494 PolarHBondContact O-N 3.27Å; A494-V509 HydrophobicContact CB-CG1 4.39Å; A494-V509 CarbonylContact O-C 3.41Å; A494-V509 VanDerWaalsContact O-CA 3.26Å; A494-V509 WeakPolarHBondContact O-CA 3.43Å; A494-V509 WeakPolarHBondContact O-CG1 3.32Å; A494-C510 PolarHBondContact O-N 3.46Å
495H74.4Confident62.8Low59 Ų5954.9 Ų54.927%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-69.8134.4168-64.8-62.7000111.7V464 N493 R507 G508 E561V464-H495 WeakPolarHBondContact CG1-CE1 3.23Å; V464-H495 VanDerWaalsContact CG1-NE2 3.26Å; V464-H495 WeakPolarHBondContact CG1-NE2 3.4Å; N493-H495 VanDerWaalsContact C-N 3.26Å; N493-H495 CarbonylContact C-O 3.59Å; N493-H495 PolarHBondContact O-N 3.29Å; H495-R507 HydrophobicContact CB-CG 4.47Å; H495-R507 PolarHBondContact CD2-NH2 2.81Å; H495-R507 VanDerWaalsContact CD2-NH2 3.27Å; H495-R507 PolarHBondContact CE1-NH2 2.77Å; H495-R507 PolarHBondContact ND1-NE 3.36Å; H495-R507 PolarHBondContact NE2-NH2 2.71Å; H495-G508 CarbonylContact C-O 3.47Å; H495-G508 VanDerWaalsContact CA-O 3.29Å; H495-G508 WeakPolarHBondContact CA-O 3.45Å; H495-E561 IonicContact CE1-OE1 2.65Å; H495-E561 PolarHBondContact CE1-OE1 3.45Å; H495-E561 IonicContact ND1-OE1 3.16Å; H495-E561 PolarHBondContact ND1-OE1 3.37Å
496C69.6Low61.5Low20 Ų2054.5 Ų54.514%0.13530%0.3CS..EExtended strand (participates in β ladder)trans-143.4167.717768.90000111.4G508 C510 F558C496-G508 PolarHBondContact N-O 2.89Å; C496-G508 PolarHBondContact O-N 2.84Å; C496-C510 HydrophobicContact CB-CB 3.59Å; C496-C510 WeakPolarHBondContact CB-SG 3.29Å; C496-C510 VanDerWaalsContact SG-CA 3.59Å; C496-C510 WeakPolarHBondContact SG-CB 3.47Å; C496-C510 PolarHBondContact SG-N 3.13Å; C496-C510 VanDerWaalsContact SG-N 3.43Å; C496-C510 CovalentContact SG-SG 2.02Å; C496-C510 PolarHBondContact SG-SG 2.86Å; C496-F558 WeakPolarHBondContact SG-CD2 3.4Å
497L65Low61Low83 Ų8357.7 Ų57.744%0.43531%0.31SS..EExtended strand (participates in β ladder)trans-119.8122.9-165.8-62.4168.6000110.4A499 E505 R507L497-A499 VanDerWaalsContact C-N 3.26Å; L497-A499 PolarHBondContact O-N 3.48Å; L497-E505 HydrophobicContact CB-CB 4.14Å; L497-E505 HydrophobicContact CD1-CB 4.49Å; L497-E505 HydrophobicContact CD2-CB 3.88Å; L497-E505 HydrophobicContact CG-CB 4.37Å; L497-R507 HydrophobicContact CD2-CB 4.38Å
498A56.9Low60.9Low11 Ų1156.5 Ų56.59%0.09130%0.304CS..  trans-78.172.7178.400000111.4W429 G500 Y506 F558W429-A498 HydrophobicContact CH2-CB 3.96Å; W429-A498 WeakPolarHBondContact CH2-O 3.39Å; W429-A498 HydrophobicContact CZ3-CB 4.23Å; A498-G500 PolarHBondContact O-N 2.94Å; A498-Y506 PolarHBondContact N-O 3.15Å; A498-F558 HydrophobicContact CB-CD1 4.36Å; A498-F558 HydrophobicContact CB-CD2 4.42Å; A498-F558 HydrophobicContact CB-CE1 3.82Å; A498-F558 HydrophobicContact CB-CE2 3.9Å; A498-F558 HydrophobicContact CB-CZ 3.58Å
499A50.1Low61Low28 Ų2856.2 Ų56.223%0.23130%0.302CS..  trans-51.3124.1-174.300000113.6L497 V683L497-A499 VanDerWaalsContact C-N 3.26Å; L497-A499 PolarHBondContact O-N 3.48Å; A499-V683 HydrophobicContact CB-CB 4.14Å; A499-V683 HydrophobicContact CB-CG2 3.9Å
500G46.4Very low61.5Low28 Ų2855 Ų5529%0.28930%0.296SS..  trans-130.5125.5171.800000109.3A498 K502 A503A498-G500 PolarHBondContact O-N 2.94Å; G500-K502 PolarHBondContact O-N 2.85Å; G500-A503 PolarHBondContact O-N 2.96Å
501S39.3Very low61.7Low131 Ų13154.1 Ų54.192%0.91629%0.292SS*.THydrogen-bonded Turntrans-66.911.4-154.564.70000118.8
502K42.7Very low62.1Low208 Ų20855 Ų5590%0.90430%0.295SS*.THydrogen-bonded Turntrans-154.115.7178.6-71.8-156.6173.8-162.70114.5G500G500-K502 PolarHBondContact O-N 2.85Å
503A42.4Very low63.1Low35 Ų3552.3 Ų52.329%0.28929%0.286SS..SBendtrans-146152.1-174.800000112.6G500G500-A503 PolarHBondContact O-N 2.96Å
504P45.7Very low63.5Low65 Ų6551.8 Ų51.842%0.42228%0.28SS..  trans-56.8152.1-180-23.932.4000113.9
505E57.5Low63.6Low121 Ų12155.3 Ų55.357%0.56529%0.293SS*.  trans-88.1127-159-58.9-179.511100112.5L497 R507L497-E505 HydrophobicContact CB-CB 4.14Å; L497-E505 HydrophobicContact CD1-CB 4.49Å; L497-E505 HydrophobicContact CD2-CB 3.88Å; L497-E505 HydrophobicContact CG-CB 4.37Å; E505-R507 PolarHBondContact O-N 3.17Å
506Y62Low63.7Low26 Ų2655.2 Ų55.210%0.10229%0.292CS..  trans-83.1114.7175.8177.5-109.1000111.1L427 W429 A498 L541 F558L427-Y506 HydrophobicContact CB-CE2 4.2Å; L427-Y506 HydrophobicContact CD1-CE1 3.91Å; L427-Y506 HydrophobicContact CD1-CE2 4.06Å; L427-Y506 HydrophobicContact CD2-CE2 3.79Å; L427-Y506 WeakPolarHBondContact CD2-OH 3.35Å; L427-Y506 HydrophobicContact CG-CE2 4.23Å; W429-Y506 VanDerWaalsContact CE3-CB 3.44Å; W429-Y506 HydrophobicContact CE3-CG 4.08Å; W429-Y506 HydrophobicContact CZ3-CD1 4.28Å; W429-Y506 HydrophobicContact CZ3-CG 4.05Å; A498-Y506 PolarHBondContact N-O 3.15Å; Y506-L541 HydrophobicContact CE1-CD1 4.14Å; Y506-F558 AromaticContact CD1-CE1 3.63Å; Y506-F558 HydrophobicContact CD1-CE1 3.63Å; Y506-F558 AromaticContact CD1-CZ 3.53Å; Y506-F558 HydrophobicContact CD1-CZ 3.53Å; Y506-F558 AromaticContact CE1-CE1 3.67Å; Y506-F558 HydrophobicContact CE1-CE1 3.67Å; Y506-F558 AromaticContact CE1-CZ 3.73Å; Y506-F558 HydrophobicContact CE1-CZ 3.73Å
507R74.3Confident64Low122 Ų12263.6 Ų63.646%0.4633%0.326SS..EExtended strand (participates in β ladder)trans-68.5126.1172.5-179.1-178.5171.4154.10.4111H495 L497 E505 E561H495-R507 HydrophobicContact CB-CG 4.47Å; H495-R507 PolarHBondContact CD2-NH2 2.81Å; H495-R507 VanDerWaalsContact CD2-NH2 3.27Å; H495-R507 PolarHBondContact CE1-NH2 2.77Å; H495-R507 PolarHBondContact ND1-NE 3.36Å; H495-R507 PolarHBondContact NE2-NH2 2.71Å; L497-R507 HydrophobicContact CD2-CB 4.38Å; E505-R507 PolarHBondContact O-N 3.17Å; R507-E561 WeakPolarHBondContact CD-OE1 3.39Å; R507-E561 WeakPolarHBondContact CG-OE1 3.16Å; R507-E561 IonicContact CZ-OE1 2.82Å; R507-E561 IonicContact NE-OE1 3.85Å; R507-E561 PolarHBondContact NE-OE1 2.88Å
508G78.8Confident64.8Low0 Ų062.1 Ų62.10%032%0.317CS..EExtended strand (participates in β ladder)trans-140.4-169.8169.900000110.5H495 C496 Y559H495-G508 CarbonylContact C-O 3.47Å; H495-G508 VanDerWaalsContact CA-O 3.29Å; H495-G508 WeakPolarHBondContact CA-O 3.45Å; C496-G508 PolarHBondContact N-O 2.89Å; C496-G508 PolarHBondContact O-N 2.84Å; G508-Y559 CarbonylContact C-O 3.58Å; G508-Y559 WeakPolarHBondContact CA-O 3.07Å
509V82.9Confident66.2Low2 Ų263.8 Ų63.81%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-106.3140.7172.3-1720000109.8I490 A494 M526 Y559 E561I490-V509 HydrophobicContact CG2-CG1 4.39Å; A494-V509 HydrophobicContact CB-CG1 4.39Å; A494-V509 CarbonylContact O-C 3.41Å; A494-V509 VanDerWaalsContact O-CA 3.26Å; A494-V509 WeakPolarHBondContact O-CA 3.43Å; A494-V509 WeakPolarHBondContact O-CG1 3.32Å; V509-M526 HydrophobicContact CB-CE 4.29Å; V509-M526 HydrophobicContact CG1-CE 3.83Å; V509-Y559 PolarHBondContact N-O 3.05Å; V509-Y559 PolarHBondContact O-N 3.47Å; V509-E561 HydrophobicContact CG2-CG 4.38Å
510C79.5Confident67.9Low1 Ų163.2 Ų63.21%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-113.2150179.7-87.10000114.1T491 A494 C496 L556 G557T491-C510 HydrophobicContact CG2-CB 4.28Å; T491-C510 PolarHBondContact N-O 2.63Å; T491-C510 WeakPolarHBondContact OG1-CB 3.42Å; T491-C510 PolarHBondContact OG1-O 3.01Å; A494-C510 PolarHBondContact O-N 3.46Å; C496-C510 HydrophobicContact CB-CB 3.59Å; C496-C510 WeakPolarHBondContact CB-SG 3.29Å; C496-C510 VanDerWaalsContact SG-CA 3.59Å; C496-C510 WeakPolarHBondContact SG-CB 3.47Å; C496-C510 PolarHBondContact SG-N 3.13Å; C496-C510 VanDerWaalsContact SG-N 3.43Å; C496-C510 CovalentContact SG-SG 2.02Å; C496-C510 PolarHBondContact SG-SG 2.86Å; C510-L556 HydrophobicContact CB-CD1 4.41Å; C510-G557 WeakPolarHBondContact CA-O 3.45Å
511T80.9Confident69.9Low0 Ų063.1 Ų63.10%031%0.307CS..EExtended strand (participates in β ladder)trans-134.7154.1173.955.50000111V488 M489 E513 M526 L556 G557 Y559V488-T511 HydrophobicContact CB-CG2 3.98Å; V488-T511 HydrophobicContact CG2-CG2 3.93Å; M489-T511 CarbonylContact O-C 3.51Å; M489-T511 WeakPolarHBondContact O-CA 3.47Å; T511-E513 VanDerWaalsContact OG1-CD 3.28Å; T511-E513 WeakPolarHBondContact OG1-CG 3.34Å; T511-E513 PolarHBondContact OG1-OE1 2.91Å; T511-M526 HydrophobicContact CG2-SD 3.74Å; T511-L556 CarbonylContact O-C 3.54Å; T511-L556 WeakPolarHBondContact O-CA 3.36Å; T511-L556 WeakPolarHBondContact O-CB 3.15Å; T511-L556 VanDerWaalsContact O-CD2 3.31Å; T511-L556 WeakPolarHBondContact O-CD2 3.45Å; T511-G557 PolarHBondContact N-O 3.32Å; T511-G557 PolarHBondContact O-N 2.84Å; T511-G557 WeakPolarHBondContact OG1-CA 3.32Å; T511-Y559 HydrophobicContact CG2-CD2 4.43Å; T511-Y559 HydrophobicContact CG2-CE2 3.91Å; T511-Y559 WeakPolarHBondContact OG1-CE2 3.27Å
512I70.9Confident72.1Confident30 Ų3059.6 Ų59.615%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-85.7117.8172.2-57.2179.9000108.5M489 T491 L556M489-I512 HydrophobicContact CB-CB 4.4Å; M489-I512 HydrophobicContact CE-CB 4.33Å; M489-I512 HydrophobicContact CE-CD1 4.49Å; M489-I512 HydrophobicContact CE-CG2 4.18Å; M489-I512 PolarHBondContact O-N 3.16Å; T491-I512 HydrophobicContact CG2-CG1 3.99Å; I512-L556 HydrophobicContact CG1-CD2 4.11Å
513E76.4Confident74.1Confident15 Ų1549.7 Ų49.77%0.0723%0.234CC..  trans-141142.6-171.7-71.3179.9-169.800114.1V488 T511 Q521 Y540 N555 G557 Y559V488-E513 HydrophobicContact CG1-CG 3.94Å; T511-E513 VanDerWaalsContact OG1-CD 3.28Å; T511-E513 WeakPolarHBondContact OG1-CG 3.34Å; T511-E513 PolarHBondContact OG1-OE1 2.91Å; E513-Q521 VanDerWaalsContact CD-NE2 3.29Å; E513-Q521 PolarHBondContact OE1-NE2 3.3Å; E513-Q521 PolarHBondContact OE2-NE2 3.31Å; E513-Y540 WeakPolarHBondContact OE2-CE2 3.39Å; E513-N555 PolarHBondContact N-O 2.97Å; E513-N555 WeakPolarHBondContact O-CB 3.49Å; E513-G557 WeakPolarHBondContact OE2-CA 3.48Å; E513-Y559 WeakPolarHBondContact OE1-CE2 3.43Å; E513-Y559 PolarHBondContact OE1-OH 2.04Å
514E70.9Confident76.3Confident90 Ų9048 Ų4842%0.42122%0.22SC..  trans-80.4141.9171.7-74.4-160.816900113.4K516 R1006E514-K516 PolarHBondContact O-N 2.74Å; E514-R1006 IonicContact OE1-CZ 3.77Å; E514-R1006 IonicContact OE1-NE 3.4Å; E514-R1006 PolarHBondContact OE1-NE 3.14Å; E514-R1006 VanDerWaalsContact OE1-NE 3.13Å; E514-R1006 IonicContact OE1-NH2 3.12Å; E514-R1006 PolarHBondContact OE1-NH2 3.04Å; E514-R1006 IonicContact OE2-CZ 2.69Å; E514-R1006 IonicContact OE2-NH2 2.66Å; E514-R1006 PolarHBondContact OE2-NH2 2.9Å
515K69.7Low78.6Confident86 Ų8644.9 Ų44.937%0.37420%0.2SC..  trans-82.481.1-178.5-171.2176.3-144.382.70113.5K517K515-K517 PolarHBondContact O-N 2.71Å
516K76.6Confident80.2Confident57 Ų5739.1 Ų39.125%0.24817%0.173CC..  trans-8493.2178.6-64.3170.3-171.9173.30112.1E486 E514 H518 Y519E486-K516 IonicContact OE1-NZ 3.41Å; E486-K516 PolarHBondContact OE1-NZ 3.37Å; E486-K516 IonicContact OE2-NZ 2.64Å; E486-K516 PolarHBondContact OE2-NZ 3Å; E514-K516 PolarHBondContact O-N 2.74Å; K516-H518 PolarHBondContact O-N 2.92Å; K516-Y519 HydrophobicContact CB-CD1 4.36Å; K516-Y519 HydrophobicContact CB-CD2 3.68Å; K516-Y519 HydrophobicContact CB-CE1 4.44Å; K516-Y519 HydrophobicContact CB-CE2 3.78Å; K516-Y519 HydrophobicContact CB-CG 3.99Å; K516-Y519 HydrophobicContact CD-CD2 3.92Å; K516-Y519 HydrophobicContact CD-CE1 4.48Å; K516-Y519 HydrophobicContact CD-CE2 3.16Å; K516-Y519 HydrophobicContact CG-CD2 4.45Å; K516-Y519 HydrophobicContact CG-CE2 4.1Å; K516-Y519 PolarHBondContact O-N 3.05Å
517K74.4Confident81.7Confident196 Ų19637.9 Ų37.985%0.85217%0.168SC*.THydrogen-bonded Turntrans-48.5-24.3-174.7-66.4176.2-177.8168.30116.1K515K515-K517 PolarHBondContact O-N 2.71Å
518H82.3Confident82.6Confident52 Ų5232.1 Ų32.124%0.24115%0.146CC..THydrogen-bonded Turntrans-89.6-13-175.143.2-78.4000114D477 K478 R479 K516D477-H518 IonicContact OD1-CD2 2.7Å; D477-H518 PolarHBondContact OD1-CD2 3.49Å; D477-H518 VanDerWaalsContact OD1-CD2 3.29Å; D477-H518 IonicContact OD2-CD2 2.97Å; K478-H518 VanDerWaalsContact CB-O 3.28Å; K478-H518 WeakPolarHBondContact CB-O 3.49Å; K478-H518 WeakPolarHBondContact CD-O 3.47Å; K478-H518 WeakPolarHBondContact CE-O 3.31Å; K478-H518 WeakPolarHBondContact CG-O 3.16Å; K478-H518 PolarHBondContact N-O 2.6Å; K478-H518 PolarHBondContact NZ-O 2.93Å; R479-H518 HydrophobicContact CG-CB 4.15Å; K516-H518 PolarHBondContact O-N 2.92Å
519Y86.9Confident83.1Confident47 Ų4732.7 Ų32.718%0.18415%0.149CC..EExtended strand (participates in β ladder)trans-80160.2-176.9-66.7-4.9000114.4H475 Y476 D477 K478 K516H475-Y519 HydrophobicContact CB-CD2 3.67Å; H475-Y519 HydrophobicContact CB-CE2 4.21Å; H475-Y519 HydrophobicContact CB-CG 4.11Å; H475-Y519 AromaticContact CD2-CD1 3.85Å; H475-Y519 AromaticContact CD2-CD2 3.31Å; H475-Y519 WeakPolarHBondContact CD2-CD2 3.37Å; H475-Y519 AromaticContact CD2-CE1 3.66Å; H475-Y519 AromaticContact CD2-CE2 3.07Å; H475-Y519 WeakPolarHBondContact CD2-CE2 3.37Å; H475-Y519 AromaticContact CD2-CG 3.7Å; H475-Y519 AromaticContact CD2-CZ 3.28Å; H475-Y519 AromaticContact CE1-CE2 3.67Å; H475-Y519 AromaticContact CG-CD2 3.44Å; H475-Y519 VanDerWaalsContact CG-CD2 3.44Å; H475-Y519 AromaticContact CG-CE2 3.45Å; H475-Y519 VanDerWaalsContact CG-CE2 3.45Å; H475-Y519 AromaticContact ND1-CE2 3.81Å; H475-Y519 AromaticContact NE2-CD2 3.96Å; H475-Y519 AromaticContact NE2-CE1 3.89Å; H475-Y519 AromaticContact NE2-CE2 3.21Å; H475-Y519 WeakPolarHBondContact NE2-CE2 3.36Å; H475-Y519 AromaticContact NE2-CZ 3.17Å; H475-Y519 PolarHBondContact NE2-OH 3.14Å; Y476-Y519 CarbonylContact O-C 3.46Å; Y476-Y519 WeakPolarHBondContact O-CA 3.35Å; D477-Y519 HydrophobicContact CB-CD1 3.96Å; D477-Y519 HydrophobicContact CB-CE1 3.86Å; K478-Y519 WeakPolarHBondContact CE-O 3.09Å; K478-Y519 PolarHBondContact NZ-O 2.88Å; K516-Y519 HydrophobicContact CB-CD1 4.36Å; K516-Y519 HydrophobicContact CB-CD2 3.68Å; K516-Y519 HydrophobicContact CB-CE1 4.44Å; K516-Y519 HydrophobicContact CB-CE2 3.78Å; K516-Y519 HydrophobicContact CB-CG 3.99Å; K516-Y519 HydrophobicContact CD-CD2 3.92Å; K516-Y519 HydrophobicContact CD-CE1 4.48Å; K516-Y519 HydrophobicContact CD-CE2 3.16Å; K516-Y519 HydrophobicContact CG-CD2 4.45Å; K516-Y519 HydrophobicContact CG-CE2 4.1Å; K516-Y519 PolarHBondContact O-N 3.05Å
520V85.6Confident83.3Confident16 Ų1633.6 Ų33.610%0.09716%0.155CC..EExtended strand (participates in β ladder)trans-113119.7156.6-176.10000107.4T358 K359 I361 Y476 K478T358-V520 HydrophobicContact CG2-CB 4.5Å; T358-V520 HydrophobicContact CG2-CG1 4.48Å; T358-V520 HydrophobicContact CG2-CG2 4.39Å; K359-V520 WeakPolarHBondContact O-CG1 3.32Å; I361-V520 WeakPolarHBondContact CD1-O 3.35Å; Y476-V520 HydrophobicContact CD1-CB 4.35Å; Y476-V520 HydrophobicContact CD1-CG2 4.07Å; Y476-V520 PolarHBondContact N-O 2.99Å; Y476-V520 PolarHBondContact O-N 3.17Å; K478-V520 HydrophobicContact CD-CG2 4.33Å; K478-V520 HydrophobicContact CG-CG2 4.22Å
521Q88.1Confident83.4Confident26 Ų2642.1 Ų42.112%0.12119%0.192CC..  trans-123.8-8.7179.1-164-177.2-2.100111.4V473 E513 G523 A524 Y540 Y559V473-Q521 HydrophobicContact CG2-CG 3.96Å; E513-Q521 VanDerWaalsContact CD-NE2 3.29Å; E513-Q521 PolarHBondContact OE1-NE2 3.3Å; E513-Q521 PolarHBondContact OE2-NE2 3.31Å; Q521-G523 PolarHBondContact O-N 3.14Å; Q521-A524 HydrophobicContact CG-CB 4.11Å; Q521-A524 WeakPolarHBondContact O-CB 3.44Å; Q521-A524 PolarHBondContact O-N 3.5Å; Q521-Y540 HydrophobicContact CB-CD1 4.08Å; Q521-Y540 HydrophobicContact CB-CE1 3.98Å; Q521-Y540 HydrophobicContact CB-CG 4.39Å; Q521-Y540 HydrophobicContact CG-CD1 4Å; Q521-Y540 HydrophobicContact CG-CD2 3.81Å; Q521-Y540 HydrophobicContact CG-CE1 4.15Å; Q521-Y540 HydrophobicContact CG-CE2 3.94Å; Q521-Y540 HydrophobicContact CG-CG 3.8Å; Q521-Y540 VanDerWaalsContact NE2-CD2 3.32Å; Q521-Y540 WeakPolarHBondContact O-CB 3.32Å; Q521-Y540 VanDerWaalsContact O-CD1 3.29Å; Q521-Y540 WeakPolarHBondContact O-CD1 3.04Å; Q521-Y540 VanDerWaalsContact OE1-CZ 3.32Å; Q521-Y540 PolarHBondContact OE1-OH 3.07Å; Q521-Y559 PolarHBondContact NE2-OH 2.95Å
522L85.2Confident83.4Confident56 Ų5644 Ų4429%0.29321%0.212SC..THydrogen-bonded Turntrans-56.5122.5174.6-64.7176.4000110C360 I361 I385 A524 Y540 L541C360-L522 CarbonylContact C-O 3.57Å; C360-L522 WeakPolarHBondContact CA-O 3.16Å; C360-L522 HydrophobicContact CB-CB 4.43Å; C360-L522 WeakPolarHBondContact CB-O 3.44Å; I361-L522 PolarHBondContact N-O 3.19Å; I385-L522 HydrophobicContact CD1-CD1 3.69Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-Y540 HydrophobicContact CD2-CD1 4.28Å; L522-Y540 HydrophobicContact CD2-CE1 4.2Å; L522-L541 WeakPolarHBondContact CD2-O 3.44Å
523G85.1Confident84.3Confident0 Ų046.2 Ų46.20%022%0.218CC..THydrogen-bonded Turntrans81.16.9-176.900000116I361 L380 Q521 V539 Y540I361-G523 CarbonylContact C-O 3.22Å; I361-G523 VanDerWaalsContact C-O 3.25Å; I361-G523 CarbonylContact O-C 3.55Å; I361-G523 WeakPolarHBondContact O-CA 3.3Å; I361-G523 VanDerWaalsContact O-O 3.07Å; L380-G523 WeakPolarHBondContact O-CA 3.38Å; Q521-G523 PolarHBondContact O-N 3.14Å; G523-V539 VanDerWaalsContact C-CG1 3.43Å; G523-V539 VanDerWaalsContact CA-CG1 3.43Å; G523-Y540 PolarHBondContact N-O 3.32Å; G523-Y540 VanDerWaalsContact N-O 3.12Å
524A89.9Confident85.2Confident0 Ų045.5 Ų45.50%022%0.215CC..  trans-68.6132.3175.500000112I361 V473 T474 Q521 L522 V539 Y540I361-A524 HydrophobicContact CB-CB 4.39Å; I361-A524 HydrophobicContact CD1-CB 4.38Å; I361-A524 HydrophobicContact CG2-CB 4.4Å; V473-A524 HydrophobicContact CG2-CB 3.52Å; T474-A524 WeakPolarHBondContact O-CB 3.47Å; Q521-A524 HydrophobicContact CG-CB 4.11Å; Q521-A524 WeakPolarHBondContact O-CB 3.44Å; Q521-A524 PolarHBondContact O-N 3.5Å; L522-A524 VanDerWaalsContact C-N 3.34Å; A524-V539 WeakPolarHBondContact O-CA 3.3Å; A524-V539 WeakPolarHBondContact O-CG1 3.36Å; A524-Y540 PolarHBondContact O-N 3.42Å
525P91.9Very high86.2Confident0 Ų044.3 Ų44.30%021%0.207CC..EExtended strand (participates in β ladder)trans-68.1141.8171.132.5-35.9000110.8N347 I527 Q536N347-P525 WeakPolarHBondContact OD1-CG 3.43Å; P525-I527 HydrophobicContact CB-CD1 3.62Å; P525-I527 HydrophobicContact CB-CG1 3.96Å; P525-I527 HydrophobicContact CG-CD1 3.81Å; P525-I527 HydrophobicContact CG-CG1 3.85Å; P525-Q536 HydrophobicContact CB-CG 3.94Å
526M92.3Very high87.3Confident0 Ų040.2 Ų40.20%019%0.189CC..EExtended strand (participates in β ladder)trans-86.7105.1160.1-167.6172.469.600107.7P465 V509 T511 Q536 Y537 G538 Y559P465-M526 HydrophobicContact CG-CE 3.81Å; V509-M526 HydrophobicContact CB-CE 4.29Å; V509-M526 HydrophobicContact CG1-CE 3.83Å; T511-M526 HydrophobicContact CG2-SD 3.74Å; M526-Q536 WeakPolarHBondContact O-CA 3.32Å; M526-Y537 PolarHBondContact O-N 3.4Å; M526-Y537 VanDerWaalsContact O-N 3.16Å; M526-G538 PolarHBondContact N-O 2.84Å; M526-Y559 HydrophobicContact CB-CD1 3.65Å; M526-Y559 HydrophobicContact CB-CE1 3.65Å; M526-Y559 HydrophobicContact CB-CG 4.47Å; M526-Y559 HydrophobicContact CG-CD1 4.44Å; M526-Y559 HydrophobicContact CG-CE1 4.26Å; M526-Y559 HydrophobicContact SD-CD1 4.36Å; M526-Y559 HydrophobicContact SD-CD2 4.36Å; M526-Y559 HydrophobicContact SD-CE1 4.45Å; M526-Y559 HydrophobicContact SD-CE2 4.47Å; M526-Y559 HydrophobicContact SD-CG 4.34Å
527I93.8Very high88Confident0 Ų038.4 Ų38.40%018%0.181CC..EExtended strand (participates in β ladder)trans-99.3118.8-176.2-58.1-66.1000108.1F344 W346 V456 C471 Y472 P525 L529 A534 Q536F344-I527 HydrophobicContact CD2-CG1 4.39Å; F344-I527 HydrophobicContact CD2-CG2 4.42Å; F344-I527 HydrophobicContact CE2-CB 4.18Å; F344-I527 HydrophobicContact CE2-CG1 4.44Å; F344-I527 HydrophobicContact CE2-CG2 3.96Å; F344-I527 HydrophobicContact CZ-CG2 4.15Å; W346-I527 HydrophobicContact CZ2-CG2 4Å; W346-I527 VanDerWaalsContact NE1-CD1 3.28Å; V456-I527 HydrophobicContact CB-CD1 4.36Å; V456-I527 HydrophobicContact CG1-CD1 4.45Å; V456-I527 HydrophobicContact CG2-CD1 3.78Å; C471-I527 CarbonylContact C-O 3.6Å; C471-I527 WeakPolarHBondContact CA-O 3.47Å; Y472-I527 PolarHBondContact N-O 2.9Å; Y472-I527 PolarHBondContact O-N 2.58Å; P525-I527 HydrophobicContact CB-CD1 3.62Å; P525-I527 HydrophobicContact CB-CG1 3.96Å; P525-I527 HydrophobicContact CG-CD1 3.81Å; P525-I527 HydrophobicContact CG-CG1 3.85Å; I527-L529 HydrophobicContact CG2-CD2 4.28Å; I527-A534 HydrophobicContact CG2-CB 3.85Å; I527-Q536 HydrophobicContact CD1-CB 4.39Å
528C92.2Very high88.7Confident0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-117.1130.4177-570000110.4P465 A469 C471 Y535 Y537P465-C528 HydrophobicContact CB-CB 4Å; P465-C528 VanDerWaalsContact CB-SG 3.53Å; P465-C528 VanDerWaalsContact CG-SG 3.55Å; A469-C528 HydrophobicContact CB-CB 4.13Å; C471-C528 HydrophobicContact CB-CB 4.13Å; C471-C528 WeakPolarHBondContact CB-SG 3.47Å; C471-C528 WeakPolarHBondContact SG-CB 3.11Å; C471-C528 CovalentContact SG-SG 2.04Å; C471-C528 PolarHBondContact SG-SG 3.03Å; C528-Y535 PolarHBondContact N-O 3.34Å; C528-Y535 PolarHBondContact O-N 3.44Å; C528-Y537 HydrophobicContact CB-CD2 3.72Å; C528-Y537 HydrophobicContact CB-CE2 3.76Å
529L90.1Very high89Confident12 Ų1226.6 Ų26.66%0.06313%0.129CC..EExtended strand (participates in β ladder)trans-86.5117.5179.8-52.7-171.4000109V331 E332 V335 A469 S470 Y472 I527 A534V331-L529 HydrophobicContact CB-CD2 4.32Å; V331-L529 HydrophobicContact CG1-CD1 4.42Å; V331-L529 HydrophobicContact CG1-CD2 3.46Å; V331-L529 VanDerWaalsContact CG1-CD2 3.46Å; E332-L529 HydrophobicContact CG-CD1 4.04Å; V335-L529 HydrophobicContact CG2-CD1 4.07Å; A469-L529 WeakPolarHBondContact CA-O 3.49Å; S470-L529 PolarHBondContact O-N 3.05Å; Y472-L529 HydrophobicContact CD2-CD1 4.48Å; Y472-L529 HydrophobicContact CD2-CG 4.31Å; Y472-L529 HydrophobicContact CE2-CD1 3.85Å; Y472-L529 HydrophobicContact CE2-CG 4.03Å; I527-L529 HydrophobicContact CG2-CD2 4.28Å; L529-A534 HydrophobicContact CD2-CB 3.89Å
530V86.7Confident89Confident21 Ų2125.2 Ų25.213%0.12712%0.124CC..EExtended strand (participates in β ladder)trans-128.6112.5-176.8-178.20000107.5P466 F468 A469 G532 R533 Y535 Y537P466-V530 HydrophobicContact CG-CG1 4.29Å; P466-V530 HydrophobicContact CG-CG2 4.04Å; F468-V530 HydrophobicContact CE2-CG1 4.12Å; A469-V530 HydrophobicContact CB-CG2 3.95Å; V530-G532 VanDerWaalsContact C-N 3.29Å; V530-G532 PolarHBondContact O-N 3.13Å; V530-R533 PolarHBondContact N-O 3.13Å; V530-R533 PolarHBondContact O-N 2.92Å; V530-R533 VanDerWaalsContact O-N 3.12Å; V530-Y535 HydrophobicContact CB-CD2 3.83Å; V530-Y535 HydrophobicContact CB-CE2 3.91Å; V530-Y535 HydrophobicContact CG2-CD2 4.11Å; V530-Y537 HydrophobicContact CG2-CE2 4.47Å
531K82Confident88.7Confident180 Ų18025.1 Ų25.178%0.78312%0.122SC*.THydrogen-bonded Turntrans49.745.6-179.6-57.8-177.7179.3-178.50113.1R533K531-R533 VanDerWaalsContact C-N 3.34Å; K531-R533 PolarHBondContact O-N 3.49Å
532G81.4Confident88Confident41 Ų4126.4 Ų26.442%0.42313%0.13SC..THydrogen-bonded Turntrans79.62.8177.800000116.4V331 V530V331-G532 WeakPolarHBondContact CG2-O 3.36Å; V530-G532 VanDerWaalsContact C-N 3.29Å; V530-G532 PolarHBondContact O-N 3.13Å
533R90Very high87.7Confident76 Ų7624.2 Ų24.229%0.28712%0.118SC..EExtended strand (participates in β ladder)trans-120141.3177.5176.4171.1-84.5165.94.2111.2Y320 C321 G322 V530 K531 Y535Y320-R533 VanDerWaalsContact CB-NH2 3.32Å; C321-R533 PolarHBondContact O-NE 3.25Å; C321-R533 VanDerWaalsContact O-NE 3.14Å; G322-R533 WeakPolarHBondContact O-CA 3.21Å; V530-R533 PolarHBondContact N-O 3.13Å; V530-R533 PolarHBondContact O-N 2.92Å; V530-R533 VanDerWaalsContact O-N 3.12Å; K531-R533 VanDerWaalsContact C-N 3.34Å; K531-R533 PolarHBondContact O-N 3.49Å; R533-Y535 HydrophobicContact CB-CE2 3.83Å; R533-Y535 WeakPolarHBondContact CD-OH 3.36Å; R533-Y535 HydrophobicContact CG-CD2 4.36Å; R533-Y535 HydrophobicContact CG-CE2 3.7Å; R533-Y535 WeakPolarHBondContact O-CD2 3.49Å
534A93.4Very high87Confident0 Ų024.6 Ų24.60%012%0.12CC..EExtended strand (participates in β ladder)trans-86.8127.6177.100000113G322 V331 W346 V456 C457 I527 L529G322-A534 WeakPolarHBondContact CA-O 3.47Å; G322-A534 PolarHBondContact O-N 2.84Å; V331-A534 HydrophobicContact CG1-CB 4.08Å; W346-A534 HydrophobicContact CH2-CB 3.3Å; W346-A534 HydrophobicContact CZ2-CB 3.42Å; W346-A534 VanDerWaalsContact CZ2-CB 3.42Å; W346-A534 HydrophobicContact CZ3-CB 4.15Å; V456-A534 HydrophobicContact CG2-CB 4.08Å; V456-A534 WeakPolarHBondContact CG2-O 3.44Å; C457-A534 PolarHBondContact N-O 3.11Å; I527-A534 HydrophobicContact CG2-CB 3.85Å; L529-A534 HydrophobicContact CD2-CB 3.89Å
535Y93Very high85.9Confident65 Ų6525.4 Ų25.426%0.25513%0.126SC..EExtended strand (participates in β ladder)trans-121.1138.7174.1-62.1-93.6000110.7C457 C528 V530 R533C457-Y535 HydrophobicContact CB-CD1 3.6Å; C457-Y535 HydrophobicContact CB-CE1 3.85Å; C457-Y535 HydrophobicContact CB-CG 4.36Å; C528-Y535 PolarHBondContact N-O 3.34Å; C528-Y535 PolarHBondContact O-N 3.44Å; V530-Y535 HydrophobicContact CB-CD2 3.83Å; V530-Y535 HydrophobicContact CB-CE2 3.91Å; V530-Y535 HydrophobicContact CG2-CD2 4.11Å; R533-Y535 HydrophobicContact CB-CE2 3.83Å; R533-Y535 WeakPolarHBondContact CD-OH 3.36Å; R533-Y535 HydrophobicContact CG-CD2 4.36Å; R533-Y535 HydrophobicContact CG-CE2 3.7Å; R533-Y535 WeakPolarHBondContact O-CD2 3.49Å
536Q92.8Very high84.5Confident0 Ų026.4 Ų26.40%013%0.131CC..EExtended strand (participates in β ladder)trans-95.3112.4175.3-176.4175.1-6.400110.4S363 V456 C457 A459 P525 M526 I527 I562S363-Q536 PolarHBondContact OG-NE2 3.37Å; S363-Q536 PolarHBondContact OG-OE1 3.02Å; V456-Q536 HydrophobicContact CG1-CB 3.88Å; V456-Q536 HydrophobicContact CG2-CB 4.17Å; C457-Q536 PolarHBondContact O-N 3.48Å; A459-Q536 WeakPolarHBondContact CB-O 3.42Å; A459-Q536 PolarHBondContact N-O 3.08Å; P525-Q536 HydrophobicContact CB-CG 3.94Å; M526-Q536 WeakPolarHBondContact O-CA 3.32Å; I527-Q536 HydrophobicContact CD1-CB 4.39Å; Q536-I562 HydrophobicContact CG-CD1 4.21Å
537Y91.2Very high82.8Confident18 Ų1831.1 Ų31.17%0.07115%0.152CC..EExtended strand (participates in β ladder)trans-91.7-21.6-178.4-78.5-91.8000113.7A459 S463 V464 P465 P466 M526 C528 V530 I562A459-Y537 HydrophobicContact CB-CD1 3.31Å; A459-Y537 HydrophobicContact CB-CD2 3.8Å; A459-Y537 HydrophobicContact CB-CE1 3.35Å; A459-Y537 HydrophobicContact CB-CE2 3.82Å; A459-Y537 HydrophobicContact CB-CG 3.54Å; S463-Y537 WeakPolarHBondContact OG-CE1 3.45Å; V464-Y537 VanDerWaalsContact O-CE1 3.27Å; V464-Y537 WeakPolarHBondContact O-CE1 3.45Å; P465-Y537 VanDerWaalsContact CA-CE1 3.48Å; P465-Y537 HydrophobicContact CB-CD1 4.22Å; P465-Y537 HydrophobicContact CB-CD2 3.93Å; P465-Y537 HydrophobicContact CB-CE1 4.2Å; P465-Y537 HydrophobicContact CB-CE2 3.91Å; P465-Y537 HydrophobicContact CB-CG 4.09Å; P465-Y537 HydrophobicContact CG-CD1 3.87Å; P465-Y537 HydrophobicContact CG-CD2 3.87Å; P465-Y537 HydrophobicContact CG-CE1 4.34Å; P465-Y537 HydrophobicContact CG-CE2 4.34Å; P465-Y537 HydrophobicContact CG-CG 3.61Å; P466-Y537 WeakPolarHBondContact CD-OH 3.26Å; M526-Y537 PolarHBondContact O-N 3.4Å; M526-Y537 VanDerWaalsContact O-N 3.16Å; C528-Y537 HydrophobicContact CB-CD2 3.72Å; C528-Y537 HydrophobicContact CB-CE2 3.76Å; V530-Y537 HydrophobicContact CG2-CE2 4.47Å; Y537-I562 PolarHBondContact O-N 3.15Å
538G88.9Confident80.6Confident0 Ų032 Ų320%016%0.156CC..EExtended strand (participates in β ladder)trans-174.1-174.3177.800000113.5M526 S560M526-G538 PolarHBondContact N-O 2.84Å; G538-S560 CarbonylContact C-O 3.43Å; G538-S560 WeakPolarHBondContact CA-O 3.19Å
539V87.6Confident78.2Confident0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-135.9136173.8170.20000112.4L380 G523 A524 L541 Y559 S560L380-V539 HydrophobicContact CB-CB 3.71Å; L380-V539 HydrophobicContact CB-CG1 3.59Å; L380-V539 HydrophobicContact CB-CG2 3.77Å; L380-V539 HydrophobicContact CD1-CG2 3.85Å; L380-V539 HydrophobicContact CD2-CB 3.85Å; L380-V539 HydrophobicContact CD2-CG2 3.71Å; L380-V539 HydrophobicContact CG-CB 4.26Å; L380-V539 HydrophobicContact CG-CG2 3.96Å; G523-V539 VanDerWaalsContact C-CG1 3.43Å; G523-V539 VanDerWaalsContact CA-CG1 3.43Å; A524-V539 WeakPolarHBondContact O-CA 3.3Å; A524-V539 WeakPolarHBondContact O-CG1 3.36Å; V539-L541 PolarHBondContact O-N 3.28Å; V539-Y559 CarbonylContact O-C 3.54Å; V539-Y559 WeakPolarHBondContact O-CA 3.42Å; V539-S560 PolarHBondContact N-O 3.13Å; V539-S560 PolarHBondContact O-N 3.25Å; V539-S560 PolarHBondContact O-OG 3.42Å
540Y88.2Confident76.3Confident19 Ų1941.6 Ų41.68%0.07521%0.212CC..EExtended strand (participates in β ladder)trans-59.5114.9178.8-172.7-85.6000112E513 Q521 L522 G523 A524 Q543 Y559E513-Y540 WeakPolarHBondContact OE2-CE2 3.39Å; Q521-Y540 HydrophobicContact CB-CD1 4.08Å; Q521-Y540 HydrophobicContact CB-CE1 3.98Å; Q521-Y540 HydrophobicContact CB-CG 4.39Å; Q521-Y540 HydrophobicContact CG-CD1 4Å; Q521-Y540 HydrophobicContact CG-CD2 3.81Å; Q521-Y540 HydrophobicContact CG-CE1 4.15Å; Q521-Y540 HydrophobicContact CG-CE2 3.94Å; Q521-Y540 HydrophobicContact CG-CG 3.8Å; Q521-Y540 VanDerWaalsContact NE2-CD2 3.32Å; Q521-Y540 WeakPolarHBondContact O-CB 3.32Å; Q521-Y540 VanDerWaalsContact O-CD1 3.29Å; Q521-Y540 WeakPolarHBondContact O-CD1 3.04Å; Q521-Y540 VanDerWaalsContact OE1-CZ 3.32Å; Q521-Y540 PolarHBondContact OE1-OH 3.07Å; L522-Y540 HydrophobicContact CD2-CD1 4.28Å; L522-Y540 HydrophobicContact CD2-CE1 4.2Å; G523-Y540 PolarHBondContact N-O 3.32Å; G523-Y540 VanDerWaalsContact N-O 3.12Å; A524-Y540 PolarHBondContact O-N 3.42Å; Y540-Q543 WeakPolarHBondContact OH-CB 3.27Å; Y540-Q543 PolarHBondContact OH-N 2.86Å; Y540-Y559 HydrophobicContact CD2-CE1 4.15Å; Y540-Y559 AromaticContact CD2-CE2 3.97Å; Y540-Y559 HydrophobicContact CD2-CE2 3.97Å; Y540-Y559 AromaticContact CD2-CZ 3.69Å; Y540-Y559 HydrophobicContact CG-CE1 4.43Å
541L78.7Confident74.1Confident13 Ų1348.5 Ų48.57%0.06824%0.24CC..EExtended strand (participates in β ladder)trans-92.6-48.1173-63.2-174000111.1I382 L427 Y506 L522 V539 F558I382-L541 HydrophobicContact CD1-CB 4.11Å; I382-L541 WeakPolarHBondContact CD1-O 3.48Å; I382-L541 HydrophobicContact CG1-CB 4.37Å; I382-L541 HydrophobicContact CG1-CD2 4.05Å; L427-L541 HydrophobicContact CD1-CD1 4.05Å; Y506-L541 HydrophobicContact CE1-CD1 4.14Å; L522-L541 WeakPolarHBondContact CD2-O 3.44Å; V539-L541 PolarHBondContact O-N 3.28Å; L541-F558 HydrophobicContact CB-CD1 4.32Å; L541-F558 HydrophobicContact CD1-CD1 4.35Å; L541-F558 HydrophobicContact CD1-CE1 4.1Å; L541-F558 PolarHBondContact N-O 2.94Å
542N74.7Confident72.3Confident53 Ų5341.8 Ų41.828%0.28321%0.214SC..EExtended strand (participates in β ladder)trans-161.9172.2-172.9-159.73.7000111.8F558N542-F558 PolarHBondContact N-O 2.82Å; N542-F558 WeakPolarHBondContact O-CB 3.08Å; N542-F558 PolarHBondContact O-N 2.04Å
543Q77.4Confident71.3Confident10 Ų1046.5 Ų46.55%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-100.8127.6166.2-143.8175.335.800110.8Y540 N555 L556Y540-Q543 WeakPolarHBondContact OH-CB 3.27Å; Y540-Q543 PolarHBondContact OH-N 2.86Å; Q543-N555 HydrophobicContact CG-CB 4.18Å; Q543-L556 CarbonylContact C-O 3.57Å; Q543-L556 WeakPolarHBondContact CA-O 3.17Å; Q543-L556 WeakPolarHBondContact CG-O 3.07Å
544L71.1Confident70Confident9 Ų944.7 Ų44.75%0.04722%0.218CC..EExtended strand (participates in β ladder)trans-86.1147.2165.8-58.7177.4000109.1N555 L556 F558 V683L544-N555 WeakPolarHBondContact O-CA 3.31Å; L544-L556 HydrophobicContact CB-CB 4.47Å; L544-L556 PolarHBondContact N-O 2.89Å; L544-L556 PolarHBondContact O-N 3.22Å; L544-F558 HydrophobicContact CD1-CB 4.09Å; L544-F558 HydrophobicContact CD1-CD2 3.75Å; L544-F558 HydrophobicContact CD1-CG 4.12Å; L544-F558 HydrophobicContact CG-CB 3.96Å; L544-F558 HydrophobicContact CG-CD2 4.49Å; L544-F558 HydrophobicContact CG-CG 4.37Å; L544-V683 HydrophobicContact CB-CG1 4.26Å; L544-V683 HydrophobicContact CD2-CG1 4.08Å
545S66.6Low69.1Low17 Ų1746 Ų4612%0.11922%0.224CC..EExtended strand (participates in β ladder)trans-121106.9171.1-66.10000108.3Q554 N555 K684S545-Q554 CarbonylContact C-O 3.56Å; S545-Q554 WeakPolarHBondContact CA-O 3.42Å; S545-N555 PolarHBondContact OG-OD1 2.89Å; S545-K684 PolarHBondContact O-N 2.66Å
546L61.8Low68.2Low21 Ų2143.3 Ų43.311%0.1122%0.215CC..EExtended strand (participates in β ladder)trans-80.7117.7174-61.5-172.3000108.8I548 K553 Q554 L556 V683L546-I548 HydrophobicContact CB-CD1 4.48Å; L546-I548 HydrophobicContact CB-CG1 4.41Å; L546-K553 WeakPolarHBondContact O-CA 3.5Å; L546-Q554 HydrophobicContact CB-CB 4.45Å; L546-Q554 PolarHBondContact N-O 3.05Å; L546-Q554 PolarHBondContact O-N 2.99Å; L546-Q554 VanDerWaalsContact O-N 3.09Å; L546-L556 HydrophobicContact CD1-CD1 3.62Å; L546-L556 HydrophobicContact CD1-CG 4.29Å; L546-L556 HydrophobicContact CG-CD1 4.03Å; L546-L556 HydrophobicContact CG-CG 4.42Å; L546-V683 HydrophobicContact CD2-CG1 4.41Å; L546-V683 HydrophobicContact CD2-CG2 3.77Å
547K57.3Low67.7Low99 Ų9943.3 Ų43.343%0.4322%0.215SC..EExtended strand (participates in β ladder)trans-82.1126165.7-82.1-172.6165.7-160.10108.9V552K547-V552 WeakPolarHBondContact CA-O 3.41Å
548I46.9Very low67.4Low17 Ų1742.8 Ų42.89%0.08721%0.213CC..EExtended strand (participates in β ladder)trans-124.2125.7178.5-58.2174.2000108.2L546 T550 K551 V552 Y998 T1001L546-I548 HydrophobicContact CB-CD1 4.48Å; L546-I548 HydrophobicContact CB-CG1 4.41Å; I548-T550 PolarHBondContact O-N 2.81Å; I548-K551 PolarHBondContact O-N 3.04Å; I548-V552 HydrophobicContact CB-CB 4.23Å; I548-V552 PolarHBondContact N-O 2.8Å; I548-V552 PolarHBondContact O-N 2.85Å; I548-Y998 HydrophobicContact CG2-CD2 3.8Å; I548-Y998 HydrophobicContact CG2-CE2 4.13Å; I548-Y998 HydrophobicContact CG2-CG 4.14Å; I548-T1001 HydrophobicContact CD1-CG2 3.11Å
549N43.4Very low67.2Low101 Ų10142.8 Ų42.854%0.5421%0.213SC..THydrogen-bonded Turntrans46.536.1-177.4-60.1-15.2000114.3K551 Y998N549-K551 PolarHBondContact O-N 3.09Å; N549-Y998 PolarHBondContact ND2-OH 3.02Å; N549-Y998 VanDerWaalsContact ND2-OH 3.1Å
550T48.5Very low67Low113 Ų11342.8 Ų42.869%0.69321%0.213SC*.THydrogen-bonded Turntrans60.5-32.9-17373.60000117.1I548I548-T550 PolarHBondContact O-N 2.81Å
551K42.2Very low66.7Low166 Ų16643.3 Ų43.372%0.72222%0.216SC*.THydrogen-bonded Turntrans-79.6-40.9-174.2-63.3-177.8179.3-178.40113I548 N549I548-K551 PolarHBondContact O-N 3.04Å; N549-K551 PolarHBondContact O-N 3.09Å
552V43.6Very low67Low39 Ų3942.9 Ų42.924%0.23621%0.214CC..EExtended strand (participates in β ladder)trans-91.9148.1-175.3-1730000112K547 I548 S1069K547-V552 WeakPolarHBondContact CA-O 3.41Å; I548-V552 HydrophobicContact CB-CB 4.23Å; I548-V552 PolarHBondContact N-O 2.8Å; I548-V552 PolarHBondContact O-N 2.85Å; V552-S1069 WeakPolarHBondContact CG2-OG 3.28Å
553K60.8Low67.3Low141 Ų14141.5 Ų41.561%0.61321%0.206SC*.EExtended strand (participates in β ladder)trans-132.886.8173.1-65.8168.9-168.41290110.2L546 N555L546-K553 WeakPolarHBondContact O-CA 3.5Å; K553-N555 PolarHBondContact O-ND2 2.9Å
554Q62.9Low67Low37 Ų3742.1 Ų42.117%0.17321%0.211CC..EExtended strand (participates in β ladder)trans-69140.1166.4-17453.75000108.6S545 L546 L556S545-Q554 CarbonylContact C-O 3.56Å; S545-Q554 WeakPolarHBondContact CA-O 3.42Å; L546-Q554 HydrophobicContact CB-CB 4.45Å; L546-Q554 PolarHBondContact N-O 3.05Å; L546-Q554 PolarHBondContact O-N 2.99Å; L546-Q554 VanDerWaalsContact O-N 3.09Å; Q554-L556 HydrophobicContact CG-CD2 4.03Å
555N73.6Confident67.4Low27 Ų2741.7 Ų41.714%0.14421%0.209CC..EExtended strand (participates in β ladder)trans-108.7138.5169.4-57.9-89.1000108.5E513 Q543 L544 S545 K553E513-N555 PolarHBondContact N-O 2.97Å; E513-N555 WeakPolarHBondContact O-CB 3.49Å; Q543-N555 HydrophobicContact CG-CB 4.18Å; L544-N555 WeakPolarHBondContact O-CA 3.31Å; S545-N555 PolarHBondContact OG-OD1 2.89Å; K553-N555 PolarHBondContact O-ND2 2.9Å
556L75.1Confident68Low10 Ų1042.9 Ų42.95%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-121.9137.8176.5-58.7-180000109.6T491 C510 T511 I512 Q543 L544 L546 Q554T491-L556 HydrophobicContact CG2-CD2 4.19Å; C510-L556 HydrophobicContact CB-CD1 4.41Å; T511-L556 CarbonylContact O-C 3.54Å; T511-L556 WeakPolarHBondContact O-CA 3.36Å; T511-L556 WeakPolarHBondContact O-CB 3.15Å; T511-L556 VanDerWaalsContact O-CD2 3.31Å; T511-L556 WeakPolarHBondContact O-CD2 3.45Å; I512-L556 HydrophobicContact CG1-CD2 4.11Å; Q543-L556 CarbonylContact C-O 3.57Å; Q543-L556 WeakPolarHBondContact CA-O 3.17Å; Q543-L556 WeakPolarHBondContact CG-O 3.07Å; L544-L556 HydrophobicContact CB-CB 4.47Å; L544-L556 PolarHBondContact N-O 2.89Å; L544-L556 PolarHBondContact O-N 3.22Å; L546-L556 HydrophobicContact CD1-CD1 3.62Å; L546-L556 HydrophobicContact CD1-CG 4.29Å; L546-L556 HydrophobicContact CG-CD1 4.03Å; L546-L556 HydrophobicContact CG-CG 4.42Å; Q554-L556 HydrophobicContact CG-CD2 4.03Å
557G81.3Confident68.7Low0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-71.9139.7162.800000109.4C510 T511 E513C510-G557 WeakPolarHBondContact CA-O 3.45Å; T511-G557 PolarHBondContact N-O 3.32Å; T511-G557 PolarHBondContact O-N 2.84Å; T511-G557 WeakPolarHBondContact OG1-CA 3.32Å; E513-G557 WeakPolarHBondContact OE2-CA 3.48Å
558F84.1Confident69.4Low7 Ų739.4 Ų39.43%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-123.6120.5179.3-178.1-94.7000110.8C496 A498 Y506 L541 N542 L544C496-F558 WeakPolarHBondContact SG-CD2 3.4Å; A498-F558 HydrophobicContact CB-CD1 4.36Å; A498-F558 HydrophobicContact CB-CD2 4.42Å; A498-F558 HydrophobicContact CB-CE1 3.82Å; A498-F558 HydrophobicContact CB-CE2 3.9Å; A498-F558 HydrophobicContact CB-CZ 3.58Å; Y506-F558 AromaticContact CD1-CE1 3.63Å; Y506-F558 HydrophobicContact CD1-CE1 3.63Å; Y506-F558 AromaticContact CD1-CZ 3.53Å; Y506-F558 HydrophobicContact CD1-CZ 3.53Å; Y506-F558 AromaticContact CE1-CE1 3.67Å; Y506-F558 HydrophobicContact CE1-CE1 3.67Å; Y506-F558 AromaticContact CE1-CZ 3.73Å; Y506-F558 HydrophobicContact CE1-CZ 3.73Å; L541-F558 HydrophobicContact CB-CD1 4.32Å; L541-F558 HydrophobicContact CD1-CD1 4.35Å; L541-F558 HydrophobicContact CD1-CE1 4.1Å; L541-F558 PolarHBondContact N-O 2.94Å; N542-F558 PolarHBondContact N-O 2.82Å; N542-F558 WeakPolarHBondContact O-CB 3.08Å; N542-F558 PolarHBondContact O-N 2.04Å; L544-F558 HydrophobicContact CD1-CB 4.09Å; L544-F558 HydrophobicContact CD1-CD2 3.75Å; L544-F558 HydrophobicContact CD1-CG 4.12Å; L544-F558 HydrophobicContact CG-CB 3.96Å; L544-F558 HydrophobicContact CG-CD2 4.49Å; L544-F558 HydrophobicContact CG-CG 4.37Å
559Y86Confident70.7Confident0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-117.7137-169.1-63.5-106000111.1V473 G508 V509 T511 E513 Q521 M526 V539 Y540V473-Y559 WeakPolarHBondContact CB-OH 3.06Å; V473-Y559 HydrophobicContact CG2-CE1 4.08Å; V473-Y559 VanDerWaalsContact CG2-OH 3.23Å; V473-Y559 WeakPolarHBondContact CG2-OH 3.44Å; G508-Y559 CarbonylContact C-O 3.58Å; G508-Y559 WeakPolarHBondContact CA-O 3.07Å; V509-Y559 PolarHBondContact N-O 3.05Å; V509-Y559 PolarHBondContact O-N 3.47Å; T511-Y559 HydrophobicContact CG2-CD2 4.43Å; T511-Y559 HydrophobicContact CG2-CE2 3.91Å; T511-Y559 WeakPolarHBondContact OG1-CE2 3.27Å; E513-Y559 WeakPolarHBondContact OE1-CE2 3.43Å; E513-Y559 PolarHBondContact OE1-OH 2.04Å; Q521-Y559 PolarHBondContact NE2-OH 2.95Å; M526-Y559 HydrophobicContact CB-CD1 3.65Å; M526-Y559 HydrophobicContact CB-CE1 3.65Å; M526-Y559 HydrophobicContact CB-CG 4.47Å; M526-Y559 HydrophobicContact CG-CD1 4.44Å; M526-Y559 HydrophobicContact CG-CE1 4.26Å; M526-Y559 HydrophobicContact SD-CD1 4.36Å; M526-Y559 HydrophobicContact SD-CD2 4.36Å; M526-Y559 HydrophobicContact SD-CE1 4.45Å; M526-Y559 HydrophobicContact SD-CE2 4.47Å; M526-Y559 HydrophobicContact SD-CG 4.34Å; V539-Y559 CarbonylContact O-C 3.54Å; V539-Y559 WeakPolarHBondContact O-CA 3.42Å; Y540-Y559 HydrophobicContact CD2-CE1 4.15Å; Y540-Y559 AromaticContact CD2-CE2 3.97Å; Y540-Y559 HydrophobicContact CD2-CE2 3.97Å; Y540-Y559 AromaticContact CD2-CZ 3.69Å; Y540-Y559 HydrophobicContact CG-CE1 4.43Å
560S82.5Confident72.1Confident0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-69.1135.2166.258.50000110G538 V539G538-S560 CarbonylContact C-O 3.43Å; G538-S560 WeakPolarHBondContact CA-O 3.19Å; V539-S560 PolarHBondContact N-O 3.13Å; V539-S560 PolarHBondContact O-N 3.25Å; V539-S560 PolarHBondContact O-OG 3.42Å
561E82.2Confident73Confident29 Ų2937 Ų3714%0.13620%0.202CC..EExtended strand (participates in β ladder)trans-57.6145.2169.8-58.7-178.7154.600111.3H495 R507 V509 N563H495-E561 IonicContact CE1-OE1 2.65Å; H495-E561 PolarHBondContact CE1-OE1 3.45Å; H495-E561 IonicContact ND1-OE1 3.16Å; H495-E561 PolarHBondContact ND1-OE1 3.37Å; R507-E561 WeakPolarHBondContact CD-OE1 3.39Å; R507-E561 WeakPolarHBondContact CG-OE1 3.16Å; R507-E561 IonicContact CZ-OE1 2.82Å; R507-E561 IonicContact NE-OE1 3.85Å; R507-E561 PolarHBondContact NE-OE1 2.88Å; V509-E561 HydrophobicContact CG2-CG 4.38Å; E561-N563 HydrophobicContact CB-CB 4.39Å; E561-N563 PolarHBondContact O-N 3.09Å; E561-N563 VanDerWaalsContact O-N 3.09Å; E561-N563 PolarHBondContact OE2-ND2 3.33Å
562I84.8Confident74.3Confident4 Ų434.3 Ų34.32%0.02119%0.191CC..THydrogen-bonded Turntrans-68.8-7.2-179-156.761.1000114.1L458 A459 Q536 Y537 V564 A565 H566L458-I562 HydrophobicContact CB-CG1 4.35Å; L458-I562 HydrophobicContact CD2-CD1 3.95Å; L458-I562 HydrophobicContact CD2-CG1 3.81Å; A459-I562 HydrophobicContact CB-CG2 4.39Å; Q536-I562 HydrophobicContact CG-CD1 4.21Å; Y537-I562 PolarHBondContact O-N 3.15Å; I562-V564 PolarHBondContact O-N 2.99Å; I562-V564 VanDerWaalsContact O-N 3.09Å; I562-A565 HydrophobicContact CD1-CB 3.97Å; I562-A565 HydrophobicContact CG1-CB 4.21Å; I562-A565 WeakPolarHBondContact O-CB 3.49Å; I562-A565 PolarHBondContact O-N 2.89Å; I562-H566 PolarHBondContact O-N 2.83Å
563N80.7Confident75.1Confident25 Ų2542.6 Ų42.613%0.13422%0.224CC..Hα-helixtrans-47.3-39.3-178.9-71.7-28.5000114.7R461 G462 E561 A565 H566 D567R461-N563 WeakPolarHBondContact CA-OD1 3.31Å; R461-N563 WeakPolarHBondContact CG-OD1 3.03Å; G462-N563 PolarHBondContact N-OD1 3.3Å; E561-N563 HydrophobicContact CB-CB 4.39Å; E561-N563 PolarHBondContact O-N 3.09Å; E561-N563 VanDerWaalsContact O-N 3.09Å; E561-N563 PolarHBondContact OE2-ND2 3.33Å; N563-A565 VanDerWaalsContact C-N 3.35Å; N563-A565 PolarHBondContact O-N 3.33Å; N563-H566 PolarHBondContact O-N 3.38Å; N563-D567 PolarHBondContact O-N 2.9Å; N563-D567 VanDerWaalsContact O-N 3.1Å
564V72.2Confident75.3Confident22 Ų2237 Ų3713%0.13320%0.201CC..Hα-helixtrans-69.7-32.5-179.6-169.20000111.9L427 I438 I562 V568 V574L427-V564 HydrophobicContact CD2-CG2 3.68Å; I438-V564 HydrophobicContact CD1-CB 3.78Å; I438-V564 HydrophobicContact CD1-CG1 3.72Å; I438-V564 HydrophobicContact CG1-CB 4.29Å; I438-V564 HydrophobicContact CG1-CG1 3.88Å; I562-V564 PolarHBondContact O-N 2.99Å; I562-V564 VanDerWaalsContact O-N 3.09Å; V564-V568 VanDerWaalsContact O-CG2 3.27Å; V564-V568 WeakPolarHBondContact O-CG2 3.19Å; V564-V568 PolarHBondContact O-N 3.34Å; V564-V568 VanDerWaalsContact O-N 3.1Å; V564-V574 HydrophobicContact CG1-CG1 3.95Å
565A78.5Confident75.1Confident1 Ų138.1 Ų38.11%0.00821%0.211CC..Hα-helixtrans-66.7-42.7175.200000110.9L458 I562 N563 V568 F569L458-A565 HydrophobicContact CD1-CB 4.4Å; L458-A565 HydrophobicContact CD2-CB 4.5Å; I562-A565 HydrophobicContact CD1-CB 3.97Å; I562-A565 HydrophobicContact CG1-CB 4.21Å; I562-A565 WeakPolarHBondContact O-CB 3.49Å; I562-A565 PolarHBondContact O-N 2.89Å; N563-A565 VanDerWaalsContact C-N 3.35Å; N563-A565 PolarHBondContact O-N 3.33Å; A565-V568 PolarHBondContact O-N 3.33Å; A565-F569 HydrophobicContact CB-CD2 4.32Å; A565-F569 HydrophobicContact CB-CE2 4.11Å; A565-F569 WeakPolarHBondContact O-CD2 3.33Å; A565-F569 WeakPolarHBondContact O-CG 3.15Å; A565-F569 PolarHBondContact O-N 2.92Å
566H80.6Confident74.3Confident42 Ų4241.1 Ų41.119%0.19423%0.231CC..Hα-helixtrans-57.7-50.7173.4-78.9-64.7000112.4A459 I562 N563 V568 F569 S570A459-H566 PolarHBondContact O-NE2 3.16Å; I562-H566 PolarHBondContact O-N 2.83Å; N563-H566 PolarHBondContact O-N 3.38Å; H566-V568 VanDerWaalsContact C-N 3.28Å; H566-V568 PolarHBondContact O-N 3.32Å; H566-F569 PolarHBondContact O-N 2.73Å; H566-S570 VanDerWaalsContact O-CB 3.25Å; H566-S570 WeakPolarHBondContact O-CB 3.34Å; H566-S570 PolarHBondContact O-N 3.15Å; H566-S570 PolarHBondContact O-OG 3.3Å
567D75.7Confident73.3Confident25 Ų2543.5 Ų43.513%0.13424%0.244CC..Hα-helixtrans-64.6-33.5-177.4-69.8-34.1000112R461 N563 K572 V574R461-D567 IonicContact CZ-OD1 3.9Å; R461-D567 IonicContact CZ-OD2 3.71Å; R461-D567 IonicContact NE-OD1 2.77Å; R461-D567 PolarHBondContact NE-OD1 2.81Å; R461-D567 VanDerWaalsContact NE-OD1 3.11Å; R461-D567 IonicContact NE-OD2 3.51Å; R461-D567 IonicContact NH2-OD1 2.76Å; R461-D567 PolarHBondContact NH2-OD1 2.88Å; R461-D567 IonicContact NH2-OD2 2.89Å; R461-D567 PolarHBondContact NH2-OD2 3.3Å; N563-D567 PolarHBondContact O-N 2.9Å; N563-D567 VanDerWaalsContact O-N 3.1Å; D567-K572 HydrophobicContact CB-CB 4.48Å; D567-K572 HydrophobicContact CB-CD 4.11Å; D567-K572 VanDerWaalsContact O-CB 3.3Å; D567-K572 WeakPolarHBondContact O-CB 3.32Å; D567-K572 PolarHBondContact O-N 3.31Å; D567-K572 WeakPolarHBondContact OD1-CD 2.95Å; D567-K572 IonicContact OD1-NZ 2.72Å; D567-K572 PolarHBondContact OD1-NZ 2.97Å; D567-V574 HydrophobicContact CB-CG2 3.72Å
568V71.3Confident71.6Confident21 Ų2147.7 Ų47.713%0.12727%0.273CS..Hα-helixtrans-70.1-49.1173.1172.70000112.7Y425 I440 V564 A565 H566 S570 G571 V574Y425-V568 HydrophobicContact CD1-CG2 3.6Å; Y425-V568 HydrophobicContact CD2-CG2 3.91Å; Y425-V568 HydrophobicContact CE1-CB 4.48Å; Y425-V568 HydrophobicContact CE1-CG1 4.12Å; Y425-V568 HydrophobicContact CE1-CG2 3.48Å; Y425-V568 VanDerWaalsContact CE1-CG2 3.48Å; Y425-V568 HydrophobicContact CE2-CB 4.43Å; Y425-V568 HydrophobicContact CE2-CG1 3.79Å; Y425-V568 HydrophobicContact CE2-CG2 3.79Å; Y425-V568 HydrophobicContact CG-CG2 3.81Å; Y425-V568 VanDerWaalsContact CZ-CG1 3.48Å; Y425-V568 WeakPolarHBondContact OH-CG1 3.13Å; I440-V568 HydrophobicContact CD1-CB 4.28Å; I440-V568 HydrophobicContact CD1-CG1 3.71Å; V564-V568 VanDerWaalsContact O-CG2 3.27Å; V564-V568 WeakPolarHBondContact O-CG2 3.19Å; V564-V568 PolarHBondContact O-N 3.34Å; V564-V568 VanDerWaalsContact O-N 3.1Å; A565-V568 PolarHBondContact O-N 3.33Å; H566-V568 VanDerWaalsContact C-N 3.28Å; H566-V568 PolarHBondContact O-N 3.32Å; V568-S570 PolarHBondContact O-N 3.23Å; V568-G571 PolarHBondContact O-N 3.42Å; V568-V574 HydrophobicContact CG2-CB 4.02Å; V568-V574 HydrophobicContact CG2-CG1 4.35Å; V568-V574 HydrophobicContact CG2-CG2 3.8Å
569F74.6Confident69.8Low35 Ų3552.7 Ų52.715%0.15430%0.296CS..Hα-helixtrans-68.6-22.4178.9-65.7-53.4000112.8Q365 A367 L368 I440 L458 A565 H566 G571Q365-F569 HydrophobicContact CB-CZ 4.46Å; A367-F569 HydrophobicContact CB-CD1 4.16Å; A367-F569 HydrophobicContact CB-CE1 4.02Å; L368-F569 WeakPolarHBondContact CD1-O 3.35Å; I440-F569 HydrophobicContact CD1-CE1 4.04Å; I440-F569 HydrophobicContact CD1-CE2 4.44Å; I440-F569 HydrophobicContact CD1-CZ 3.88Å; L458-F569 HydrophobicContact CD1-CD2 3.91Å; L458-F569 HydrophobicContact CD1-CE2 4.19Å; A565-F569 HydrophobicContact CB-CD2 4.32Å; A565-F569 HydrophobicContact CB-CE2 4.11Å; A565-F569 WeakPolarHBondContact O-CD2 3.33Å; A565-F569 WeakPolarHBondContact O-CG 3.15Å; A565-F569 PolarHBondContact O-N 2.92Å; H566-F569 PolarHBondContact O-N 2.73Å; F569-G571 PolarHBondContact O-N 2.89Å
570S72.8Confident67.3Low78 Ų7861.2 Ų61.255%0.54533%0.333SS..THydrogen-bonded Turntrans-76.12.4168.8-53.50000113.6H566 V568 K572H566-S570 VanDerWaalsContact O-CB 3.25Å; H566-S570 WeakPolarHBondContact O-CB 3.34Å; H566-S570 PolarHBondContact O-N 3.15Å; H566-S570 PolarHBondContact O-OG 3.3Å; V568-S570 PolarHBondContact O-N 3.23Å; S570-K572 PolarHBondContact O-N 3.3Å
571G67.7Low65.1Low67 Ų6767.2 Ų67.269%0.69137%0.37SS*.THydrogen-bonded Turntrans70.610.5-179.600000115.3V568 F569V568-G571 PolarHBondContact O-N 3.42Å; F569-G571 PolarHBondContact O-N 2.89Å
572K69.2Low62.6Low111 Ų11172.3 Ų72.348%0.48340%0.398SS..  trans-69.7147.1178.7-57.2179.3-169.7167.60110.1D567 S570 V574D567-K572 HydrophobicContact CB-CB 4.48Å; D567-K572 HydrophobicContact CB-CD 4.11Å; D567-K572 VanDerWaalsContact O-CB 3.3Å; D567-K572 WeakPolarHBondContact O-CB 3.32Å; D567-K572 PolarHBondContact O-N 3.31Å; D567-K572 WeakPolarHBondContact OD1-CD 2.95Å; D567-K572 IonicContact OD1-NZ 2.72Å; D567-K572 PolarHBondContact OD1-NZ 2.97Å; S570-K572 PolarHBondContact O-N 3.3Å; K572-V574 PolarHBondContact O-N 3.1Å
573K61.5Low59.9Low213 Ų21383.9 Ų83.993%0.92644%0.441SS*.  trans-71.275.5175.3-70.5-177.5178.1176.10111.6
574V63.4Low57.5Low24 Ų2491.1 Ų91.115%0.14547%0.474CS..  trans-70.2135.3168.2178.90000109.1Y425 V564 D567 V568 K572 T576Y425-V574 HydrophobicContact CD1-CB 3.97Å; Y425-V574 HydrophobicContact CD1-CG1 3.79Å; Y425-V574 HydrophobicContact CE1-CB 4.43Å; Y425-V574 HydrophobicContact CG-CG1 4.34Å; V564-V574 HydrophobicContact CG1-CG1 3.95Å; D567-V574 HydrophobicContact CB-CG2 3.72Å; V568-V574 HydrophobicContact CG2-CB 4.02Å; V568-V574 HydrophobicContact CG2-CG1 4.35Å; V568-V574 HydrophobicContact CG2-CG2 3.8Å; K572-V574 PolarHBondContact O-N 3.1Å; V574-T576 PolarHBondContact O-N 3.31Å
575P60.1Low55.4Low59 Ų5995.4 Ų95.438%0.38350%0.503SS..  trans-56106.5179.5-28.336.5000113.4G426G426-P575 PolarHBondContact N-O 3.44Å
576T55.6Low52.8Low90 Ų9099.3 Ų99.355%0.55254%0.543SS*.BIsolated β-bridgetrans-83.9134.5171.934.60000110.5L424 Y425 V574 S578L424-T576 WeakPolarHBondContact O-CA 3.35Å; Y425-T576 HydrophobicContact CD1-CG2 3.76Å; Y425-T576 HydrophobicContact CE1-CG2 3.52Å; V574-T576 PolarHBondContact O-N 3.31Å; T576-S578 PolarHBondContact O-N 3.34Å; T576-S578 VanDerWaalsContact O-N 3.15Å
577L54.4Low50.5Low61 Ų61103.9 Ų103.932%0.31957%0.573SS.*  trans-77.1102.1176.2-73.9165.1000109.2L424 T434L424-L577 HydrophobicContact CB-CB 4.49Å; L424-L577 PolarHBondContact O-N 3.38Å; L424-L577 VanDerWaalsContact O-N 3.15Å; T434-L577 HydrophobicContact CG2-CD2 4.22Å
578S45.1Very low48.2Very low87 Ų87111 Ų11161%0.60860%0.603SS**  trans-59.5144.4178.7-172.60000111.9T576 K580T576-S578 PolarHBondContact O-N 3.34Å; T576-S578 VanDerWaalsContact O-N 3.15Å; S578-K580 PolarHBondContact O-N 3.13Å; S578-K580 VanDerWaalsContact O-N 3.12Å
579E46.2Very low46.2Very low113 Ų113116.1 Ų116.153%0.52864%0.637SS.*SBendtrans-67.4-12.1-177.2-164.1166.6-142.100113T390 L391 A392T390-E579 VanDerWaalsContact CB-OE1 3.27Å; T390-E579 WeakPolarHBondContact CB-OE1 3.49Å; L391-E579 WeakPolarHBondContact CA-OE1 3.23Å; L391-E579 HydrophobicContact CB-CG 4.41Å; L391-E579 WeakPolarHBondContact CB-OE1 3.31Å; L391-E579 PolarHBondContact N-OE1 3Å; A392-E579 PolarHBondContact N-OE1 3.3Å
580K33.6Very low44.2Very low179 Ų179123 Ų12378%0.77867%0.669SS**  trans-98.690.7170.5-63.8-177.3-178.1-179.70111S578S578-K580 PolarHBondContact O-N 3.13Å; S578-K580 VanDerWaalsContact O-N 3.12Å
581V36.9Very low42.1Very low126 Ų126128.7 Ų128.776%0.76468%0.684SS**  trans-123.4118.6151.1179.10000106.2
582D31Very low40.3Very low135 Ų135130.9 Ų130.972%0.72269%0.686SS**  trans-66.9161.5-161.4-71.8-74.3000115.3Q584D582-Q584 PolarHBondContact O-N 3.31Å
583R27Very low38.5Very low247 Ų247133.9 Ų133.993%0.93271%0.706SS**  trans-68.272.6154.8-67.7177.6177.4161.4-0.9108.7
584Q30.2Very low37Very low178 Ų178132.5 Ų132.583%0.83270%0.702SS**  trans-56.2136.4177.4-109.3-176.2-12.900109.8D582D582-Q584 PolarHBondContact O-N 3.31Å
585P27.3Very low35.4Very low112 Ų112135.7 Ų135.773%0.72773%0.731SS**  trans-73.6169.6-161.1-19.634.7000113.7V587P585-V587 PolarHBondContact O-N 3.29Å
586G24.7Very low34.1Very low83 Ų83137.7 Ų137.786%0.85675%0.747SS**  trans-65.9102.4173.200000111.9
587V31.5Very low33Very low137 Ų137138.9 Ų138.983%0.8376%0.759SS**  trans-73138.2164.2-178.60000108.8P585P585-V587 PolarHBondContact O-N 3.29Å
588K28.2Very low32Very low176 Ų176141.9 Ų141.977%0.76579%0.785SS**  trans-64.9148.1-168.5-62.5171.5-178.1173.90112H590K588-H590 PolarHBondContact O-N 2.78Å; K588-H590 VanDerWaalsContact O-N 3.16Å
589P28.2Very low31.4Very low128 Ų128143.6 Ų143.683%0.83180%0.796SS**  trans-69.9109.7170.329.6-32.8000109.8
590H33.2Very low30.8Very low180 Ų180143.7 Ų143.783%0.83381%0.81SS**PPolyproline II helixtrans-66133.1164.4-86.4-91.3000109.5K588K588-H590 PolarHBondContact O-N 2.78Å; K588-H590 VanDerWaalsContact O-N 3.16Å
591K29.6Very low30.6Very low196 Ų196140.6 Ų140.685%0.85281%0.811SS**PPolyproline II helixtrans-60.1145.2170.5-88.4-176.3171.5-177.70109.7
592P28.9Very low30.6Very low114 Ų114140.2 Ų140.274%0.7481%0.811SS**PPolyproline II helixtrans-73145.4177.731.6-34.9000111.2
593I31.1Very low30.7Very low174 Ų174138.9 Ų138.989%0.89281%0.812SS**PPolyproline II helixtrans-100.7134.4158.9-63176.8000106.4
594Q29.8Very low30.9Very low184 Ų184131.9 Ų131.986%0.8681%0.807SS**PPolyproline II helixtrans-98.7136.9-173.6-70174-97.600112.5
595A30.5Very low31.2Very low91 Ų91129.4 Ų129.475%0.75281%0.81SS**  trans-15391150.400000106.4
596S32.3Very low31.7Very low101 Ų101134.7 Ų134.771%0.70682%0.815SS**  61.483.7103.163.60000113
597S32.5Very low32.2Very low115 Ų115139.8 Ų139.880%0.80482%0.817SS**  63.7120.881.872.90000113.6
598S33.5Very low32.5Very low124 Ų124140.1 Ų140.187%0.86781%0.812SS**  -147.5175.284.558.50000114.2
599S32.6Very low32.8Very low122 Ų122137.1 Ų137.185%0.85380%0.804SS**  trans-155.8143.7-17760.70000112.5
600S33.8Very low33Very low116 Ų116141.1 Ų141.181%0.81180%0.803SS**  trans-130.9142.6170.757.30000111.7
601S30.2Very low33.1Very low113 Ų113143.7 Ų143.779%0.7981%0.805SS**  trans-170.5128.5178.9-750000111.6
602P35.8Very low33.2Very low118 Ų118145.9 Ų145.977%0.76681%0.808SS**  trans-82.8135.5159.9-725.9000109.7
603S33.4Very low33.2Very low107 Ų107146.2 Ų146.275%0.74881%0.813SS**  52.7100.555.875.10000112.1
604A31.8Very low33.3Very low101 Ų101141.2 Ų141.284%0.83580%0.804SS**  cis74.886.635.800000114.2
605S37.2Very low33.3Very low126 Ų126142.9 Ų142.988%0.88180%0.803SS**  trans-84.2165169.845.70000112.5
606R35.9Very low33.1Very low222 Ų222147.4 Ų147.484%0.83881%0.806SS**  trans-137142-177-72177.6172.7172.4-2.2112
607E36.4Very low33Very low191 Ų191148 Ų14889%0.89381%0.807SS**  trans-127.2134.1146.5-68-178.6119.800106.1
608I37.7Very low32.9Very low144 Ų144149.6 Ų149.674%0.73881%0.807SS**  cis74.8114.127.5-51.6179.8000110.6
609D33.9Very low32.7Very low112 Ų112152.1 Ų152.160%0.59981%0.81SS**  cis-161.9170.6-3.6-169.511.7000110.5
610R32.2Very low32.4Very low213 Ų213155.9 Ų155.980%0.80481%0.807SS**  trans66.2149.6163.3-65.1147.8-157.7-153.13.3116.7
611R35.4Very low32.1Very low233 Ų233157.2 Ų157.288%0.87980%0.803SS**  cis-127.2129.70.5-65-179.8176.8-179.2-1.9107.7
612R31.6Very low32.1Very low243 Ų243157.4 Ų157.492%0.91780%0.801SS**  99.8122.971.5-162.2-175.6-154.5-157.18.1111.6
613S30Very low31.7Very low121 Ų121160 Ų16085%0.84681%0.808SS**  trans-90.7153.7-168.6-41.10000115.5
614G32.3Very low31.5Very low68 Ų68159.2 Ų159.270%0.70181%0.808SS**  trans-129.5116.6147.300000107.7
615R30.4Very low31.5Very low219 Ų219160.6 Ų160.683%0.82681%0.806SS**  57.398.885-65.2-159.6168.3-170.3-2.8111.3
616F27Very low31.4Very low187 Ų187161.7 Ų161.782%0.8280%0.801SS**  82.3154.382.8-77.3-47.4000112.8
617P30.1Very low31.8Very low113 Ų113156.1 Ų156.173%0.73479%0.793SS**  cis-130.4-165.5-19.338.2-19.8000112.6
618D28.9Very low31.9Very low149 Ų149152.3 Ų152.380%0.79779%0.785SS**  trans-63.4153.1168.2-55.3-95.4000114
619L30.7Very low31.7Very low177 Ų177150.4 Ų150.493%0.92779%0.785SS**  trans-149.9154.3157.7-111.1162.1000110.4
620Y25.1Very low31.9Very low201 Ų201152.4 Ų152.479%0.78879%0.793SS**  trans-157.8155.9-145.5-151-42.1000108.5
621I28.6Very low32.1Very low144 Ų144147 Ų14774%0.73879%0.789SS**  trans75.7156.7166.5-50.4176.9000112.6
622P28.8Very low32Very low116 Ų116147.3 Ų147.375%0.75379%0.79SS**  cis-120.1-174.6-4.315.310.6000116.7
623L29.3Very low32.3Very low174 Ų174141 Ų14191%0.91178%0.78SS**  trans-88.2162163.4-76.664000112.2
624A29.2Very low32.6Very low90 Ų90141 Ų14174%0.74477%0.771SS**  trans-153.5129.6155.200000108.2
625T31.7Very low32.9Very low129 Ų129144 Ų14479%0.79177%0.766SS**  86.5121.956.5-66.30000110.9
626I34.5Very low33.2Very low150 Ų150140.9 Ų140.977%0.76976%0.759SS**  cis-153.8168.52.1-122.8176.8000110.5
627P43.5Very low33.5Very low104 Ų104142.6 Ų142.668%0.67576%0.76SS**  trans-96.1-159.9178.540-33.1000112.9
628P38.3Very low33.9Very low112 Ų112141.2 Ų141.273%0.72775%0.753SS**  -150-179.9117.940.4-24.9000117.2
629S34.5Very low34.3Very low104 Ų104143 Ų14373%0.72775%0.753SS**  trans68.7145.6155.6600000120.6
630I36.9Very low34.4Very low153 Ų153139.7 Ų139.779%0.78575%0.746SS**  cis-153.6154.4-3.6-118.5162.8000111.5
631S36.3Very low35Very low101 Ų101134.7 Ų134.771%0.70674%0.74SS**  trans35.5130.9167.361.40000122
632R34.2Very low35.3Very low238 Ų238132.8 Ų132.890%0.89874%0.74SS**  cis66.915040.9-80.7-168.9173.2-172.80.7116.3
633P38.3Very low35.6Very low110 Ų110131.8 Ų131.871%0.71474%0.735SS**  cis-112-141.44.130.3-8.1000111.6
634N36.6Very low35.9Very low122 Ų122128.9 Ų128.965%0.65273%0.729SS**  cis-157.9160.2-0-142.8-1.2000114.5
635Q38.4Very low36.2Very low130 Ų130129.3 Ų129.361%0.60773%0.727SS**  trans8.3155.1150.2-69.8170.963.900123.2
636K35.5Very low36.3Very low155 Ų155127.9 Ų127.967%0.67472%0.722SS**  cis-165.3157.58.4-124.5163.3-176.9157.30112.3
637R34.8Very low36.4Very low223 Ų223125.5 Ų125.584%0.84272%0.719SS**  trans31152.7139-73.7-173176.9174.9-1.9122.2
638S37.5Very low36Very low84 Ų84126 Ų12659%0.58773%0.725SS**  cis-173.8160.11.9-109.10000113.9
639K36.8Very low36Very low185 Ų185125.2 Ų125.280%0.80472%0.722SS**  trans56.5121141.2-67.6-177.3176.1-169.50120.5
640S33.9Very low36.1Very low109 Ų109125.6 Ų125.676%0.76272%0.724SS**  79.6158.295.987.30000114.2
641S37.8Very low36.1Very low96 Ų96122.9 Ų122.967%0.67172%0.719SS**  cis-161.6132.78.635.60000108.9
642S34.5Very low36.2Very low104 Ų104123 Ų12373%0.72772%0.72SS**  94.8153.8100.373.50000117.4
643S35Very low36.4Very low95 Ų95116.8 Ų116.866%0.66471%0.713SS**  trans65117.9147.753.20000123.2
644S35.6Very low36.1Very low112 Ų112118.9 Ų118.978%0.78372%0.718SS**  trans60.3150.8134.154.40000122.5
645S35.4Very low36Very low99 Ų99119 Ų11969%0.69273%0.728SS**  cis-171.8169.6-15.852.10000112.2
646S33.8Very low35.5Very low99 Ų99118.3 Ų118.369%0.69274%0.739SS**  trans67.8151.314747.20000122.9
647S36.2Very low35.4Very low101 Ų101116.3 Ų116.371%0.70674%0.744SS**  trans58.1105.7153.642.90000118.9
648S35.9Very low35.1Very low115 Ų115112 Ų11280%0.80474%0.742SS**  87.4156.283.973.80000113
649S38.2Very low34.9Very low94 Ų94112.3 Ų112.366%0.65774%0.744SS**  cis-157.5166.91553.30000112.6
650S36.6Very low34.7Very low112 Ų112113.4 Ų113.478%0.78374%0.743SS**  trans62.9160.4150.6570000118.6
651S37.5Very low34.4Very low97 Ų97115.3 Ų115.368%0.67874%0.74SS**  cis-153.6151.713.556.10000113
652S36.9Very low34.2Very low104 Ų104117.7 Ų117.773%0.72775%0.75SS**  trans41.1150.7139.959.30000122.8
653S38.7Very low34Very low107 Ų107122.8 Ų122.875%0.74875%0.754SS**  cis-160.7162.95.530.70000113.5
654D31.8Very low33.9Very low153 Ų153125.1 Ų125.182%0.81876%0.758SS**  trans-51.8160.5176.3-44.9-83.9000118.4
655S35.3Very low33.5Very low124 Ų124126 Ų12687%0.86776%0.755SS**  -166.2150.512348.60000111.4
656S27.8Very low33.4Very low117 Ų117127.6 Ų127.682%0.81876%0.76SS**  trans-154.3122.1-173.660.10000114.2
657S33.3Very low33.3Very low112 Ų112131.8 Ų131.878%0.78377%0.766SS**  trans-168.5135.916549.70000108.6
658V28.5Very low32.8Very low132 Ų132132.8 Ų132.880%0.877%0.773SS**  cis79.999.733.9-176.40000114.1
659S33.7Very low32.7Very low91 Ų91132.1 Ų132.164%0.63678%0.775SS**  trans166.9119.4148-830000109.5
660R31.4Very low32.1Very low208 Ų208137 Ų13779%0.78579%0.787SS**  82.4149.884.7-77.5-167.8171113.3-5.4113.8
661E27.7Very low31.9Very low149 Ų149140.4 Ų140.470%0.69679%0.79SS**  cis167.6103.7-22-110.3-172.411700104.8
662V35.3Very low31.6Very low146 Ų146140 Ų14089%0.88579%0.793SS**  trans-154.2115.4158.3-173.60000104.6
663R28.4Very low31.1Very low212 Ų212142.9 Ų142.980%0.880%0.8SS**  cis877720.1-152.5-172.7-159.6-154.76.2116
664D33.3Very low30.8Very low143 Ų143144.9 Ų144.977%0.76580%0.803SS**  trans-159.9121.3136.9-95.8-35.1000107.3
665N28.3Very low30.6Very low132 Ų132142.2 Ų142.271%0.70680%0.796SS**  83.691.571.9-84.4-34.3000114.4
666T33.2Very low30.2Very low132 Ų132141.9 Ų141.981%0.8179%0.789SS**  trans-168.9140.7138.410.60000112.7
667K31Very low30.3Very low186 Ų186142.1 Ų142.181%0.80979%0.788SS**  trans31.1118.6152.8-62.9175.8180179.50119.1
668S26.9Very low29.9Very low123 Ų123142.3 Ų142.386%0.8678%0.784SS**  7397.760.5-57.80000114.9
669A32.2Very low29.8Very low101 Ų101142.5 Ų142.584%0.83578%0.779SS**  trans-169.6129.8144.900000110.1
670E27.3Very low29.5Very low196 Ų196148.8 Ų148.892%0.91679%0.789SS**  trans-112.8125.8162.1-72.21769900107.7
671E32.2Very low29.3Very low183 Ų183143.9 Ų143.986%0.85578%0.778SS**  trans-153.5115.4165.7-102.5164.917300106
672A30.3Very low29.6Very low90 Ų90142.5 Ų142.574%0.74478%0.775SS**  61.880.580.300000110.5
673D27.5Very low29.4Very low163 Ų163137 Ų13787%0.87274%0.741SS**  57.585.983.5-162.529.8000113
674D30.7Very low29.6Very low149 Ų149134 Ų13480%0.79774%0.735SS**  trans-119.6143.9161-174.728.1000110.9T676D674-T676 PolarHBondContact O-N 3.14Å
675S28Very low29.5Very low98 Ų98130.6 Ų130.669%0.68572%0.719SS**  trans-99.688.1-150.660.90000113.1
676T27.8Very low29.6Very low117 Ų117127.4 Ų127.472%0.71870%0.703SS**  trans-61.9131.9168.951.60000111.2D674 V678D674-T676 PolarHBondContact O-N 3.14Å; T676-V678 WeakPolarHBondContact O-CG2 3.43Å; T676-V678 PolarHBondContact O-N 3.11Å
677P29.9Very low29.6Very low121 Ų121130.1 Ų130.179%0.78670%0.704SS**  trans-74.490.3-174.527.8-34.8000111.9I679P677-I679 PolarHBondContact O-N 3.31Å
678V25.1Very low29.6Very low116 Ų116126.9 Ų126.970%0.70370%0.7SS**  trans-67.592.4-176.8-175.40000112.2T676 R680T676-V678 WeakPolarHBondContact O-CG2 3.43Å; T676-V678 PolarHBondContact O-N 3.11Å; V678-R680 PolarHBondContact O-N 3.27Å
679I26.8Very low29.8Very low136 Ų136132.9 Ų132.970%0.69770%0.704SS**  trans-66.2102.9171.6-58.6178.6000109.5P677 L681P677-I679 PolarHBondContact O-N 3.31Å; I679-L681 VanDerWaalsContact C-N 3.33Å; I679-L681 PolarHBondContact O-N 2.84Å
680R25.7Very low29.9Very low224 Ų224132.8 Ų132.885%0.84569%0.689SS**  trans-67.481.2-179.7-70-176.5174.8177.2-0.3113.1V678 N682V678-R680 PolarHBondContact O-N 3.27Å; R680-N682 PolarHBondContact O-N 3.27Å; R680-N682 VanDerWaalsContact O-N 3.14Å; R680-N682 PolarHBondContact O-ND2 2.9Å
681L28.2Very low30.1Very low105 Ų105127.7 Ų127.755%0.5568%0.68SS.*  trans-63.8108177.8-79.1167.4000112.3I679 V683I679-L681 VanDerWaalsContact C-N 3.33Å; I679-L681 PolarHBondContact O-N 2.84Å; L681-V683 HydrophobicContact CB-CG2 4.16Å; L681-V683 PolarHBondContact O-N 3.39Å
682N33.7Very low30.2Very low120 Ų120123.5 Ų123.564%0.64268%0.677SS**  trans-78.565.6177.4-94.4-89000112.4R680 K684R680-N682 PolarHBondContact O-N 3.27Å; R680-N682 VanDerWaalsContact O-N 3.14Å; R680-N682 PolarHBondContact O-ND2 2.9Å; N682-K684 PolarHBondContact O-N 2.99Å
683V31.1Very low30.4Very low29 Ų29128.4 Ų128.418%0.17668%0.681CS.*  trans-70.1119.8177.2-169.40000110.2A499 L544 L546 L681A499-V683 HydrophobicContact CB-CB 4.14Å; A499-V683 HydrophobicContact CB-CG2 3.9Å; L544-V683 HydrophobicContact CB-CG1 4.26Å; L544-V683 HydrophobicContact CD2-CG1 4.08Å; L546-V683 HydrophobicContact CD2-CG1 4.41Å; L546-V683 HydrophobicContact CD2-CG2 3.77Å; L681-V683 HydrophobicContact CB-CG2 4.16Å; L681-V683 PolarHBondContact O-N 3.39Å
684K33.4Very low30.6Very low151 Ų151126.5 Ų126.566%0.65767%0.671SS**  trans-109.995-178.7-163.9162.1-171.3165.90111.8S545 N682 V686S545-K684 PolarHBondContact O-N 2.66Å; N682-K684 PolarHBondContact O-N 2.99Å; K684-V686 PolarHBondContact O-N 3.02Å; K684-V686 VanDerWaalsContact O-N 3.16Å
685V30Very low30.8Very low71 Ų71130.8 Ų130.843%0.4368%0.676SS.*  trans-56.7116176.1-178.30000110.6K687V685-K687 PolarHBondContact O-N 2.82Å
686V31.8Very low30.9Very low64 Ų64131.4 Ų131.439%0.38868%0.68SS.*  trans-81.687-175.1-174.40000110.4K684 T688K684-V686 PolarHBondContact O-N 3.02Å; K684-V686 VanDerWaalsContact O-N 3.16Å; V686-T688 PolarHBondContact O-N 3.39Å
687K32.4Very low31.1Very low190 Ų190133 Ų13383%0.82668%0.684SS**  trans-54.5123.2169.8-71.2-174.1178.2-179.80110.1V685V685-K687 PolarHBondContact O-N 2.82Å
688T31.3Very low31.3Very low117 Ų117137.5 Ų137.572%0.71869%0.691SS**  trans-67.7136.8176.744.30000110.8V686 L690V686-T688 PolarHBondContact O-N 3.39Å; T688-L690 VanDerWaalsContact C-N 3.28Å; T688-L690 PolarHBondContact O-N 3.03Å
689R31.2Very low31.7Very low250 Ų250138 Ų13894%0.94370%0.695SS**THydrogen-bonded Turntrans-71.876.3-179.8-78.3-174.3170.8-176.6-3.2111.7
690L33.2Very low31.9Very low99 Ų99140.3 Ų140.352%0.51870%0.7SS.*THydrogen-bonded Turntrans-119.9-12.2165.9-9288.6000114.2T688 A692T688-L690 VanDerWaalsContact C-N 3.28Å; T688-L690 PolarHBondContact O-N 3.03Å; L690-A692 VanDerWaalsContact C-N 3.3Å; L690-A692 PolarHBondContact O-N 3.07Å
691A32.7Very low32.3Very low88 Ų88137.3 Ų137.373%0.72770%0.695SS**G310 helixtrans-68.8-25.8178.900000113.8F693A691-F693 PolarHBondContact O-N 3.46Å
692A33.2Very low32.4Very low95 Ų95137.2 Ų137.279%0.78570%0.701SS**G310 helixtrans-72.2-10.8-177.500000114.5L690L690-A692 VanDerWaalsContact C-N 3.3Å; L690-A692 PolarHBondContact O-N 3.07Å
693F34.1Very low32.4Very low193 Ų193140.3 Ų140.385%0.84671%0.712SS**G310 helixtrans-104.514.9-174.3-114.6-85.8000114A691A691-F693 PolarHBondContact O-N 3.46Å
694L33.4Very low32.6Very low123 Ų123146.9 Ų146.964%0.64474%0.74SS**SBendtrans-128.823-170.6-69.8174.1000114.6
695R33.7Very low32.7Very low239 Ų239144 Ų14490%0.90274%0.739SS**SBendtrans-131.6-2.6174.7-73.5-167.9175.4-170.8-1.7116.2N697R695-N697 PolarHBondContact O-N 2.67Å
696S30.6Very low32.8Very low111 Ų111148.7 Ų148.778%0.77676%0.756SS**  trans-95.691.2173.2-176.80000110.7
697N31.6Very low32.9Very low150 Ų150150.1 Ų150.180%0.80277%0.769SS**  trans170.180.2147.9-89.6-1.7000111.5R695R695-N697 PolarHBondContact O-N 2.67Å
698K34.8Very low32.8Very low216 Ų216146.3 Ų146.394%0.93977%0.766SS**  trans-144.9150.2147.9-90.1-162.2173.6-171.90107.6
699T33.7Very low33Very low128 Ų128145.6 Ų145.679%0.78577%0.766SS**  trans-126.8149.2-153.5-28.80000112.3
700K31.1Very low33.1Very low183 Ų183138.2 Ų138.280%0.79675%0.752SS**  trans69.8151.1175-55.1-177.1172.9-167.70114.3
701Q33.2Very low33Very low161 Ų161138.8 Ų138.875%0.75277%0.765SS**  cis-146.3157.5-5.6-131.3164.6-80.100108.9
702P30.4Very low33.1Very low103 Ų103143.4 Ų143.467%0.66978%0.776SS**  trans-101.3158.6-175.538.1-31.3000113.6
703H34.5Very low32.8Very low186 Ų186142.4 Ų142.486%0.86178%0.775SS**  trans-147158.7154.2-100.2-85.7000110.2
704H35.3Very low32.7Very low167 Ų167142.5 Ų142.577%0.77378%0.778SS**  trans-85.8178.2179.6-62.4-119.9000109.7
705S33.9Very low32.5Very low91 Ų91144.8 Ų144.864%0.63679%0.786SS**  cis-153.8171.919.9-47.60000113.2
706E33.8Very low32.3Very low169 Ų169141.4 Ų141.479%0.7978%0.783SS**  trans30.4154.5132.1-73.1130.9-137.100122.8
707S32.3Very low32.5Very low94 Ų94144.4 Ų144.466%0.65778%0.782SS**  cis-170.6170.9-12.658.50000110.8
708S31.3Very low32.6Very low110 Ų110143 Ų14377%0.76978%0.782SS**  trans68.7154.7155.1-44.90000118.3
709S35.7Very low32.7Very low101 Ų101143.5 Ų143.571%0.70678%0.779SS**  cis-161.1175.6-17.651.50000110.6
710S33.4Very low33Very low95 Ų95142.7 Ų142.766%0.66478%0.776SS**  trans43.2108.8148.355.30000120
711S30.4Very low33.6Very low111 Ų111139.5 Ų139.578%0.77677%0.774SS**  87.2109.353.373.10000115.9
712L33.8Very low34.1Very low186 Ų186138 Ų13897%0.97478%0.778SS**  trans-170.2164.4140-102.1160000107.5
713G28.4Very low34.5Very low73 Ų73136.6 Ų136.675%0.75378%0.783SS**  trans-139.6169.7-173.800000112.8
714E31.9Very low34.8Very low196 Ų196137.3 Ų137.392%0.91678%0.784SS**  trans-144.6158.7179.9-159.4169.1-166.500111.5
715E28Very low35Very low171 Ų171135.4 Ų135.480%0.79979%0.786SS**  trans-123.2130.9-163.2179.2-167.7154.900110.3
716I31.2Very low35.2Very low167 Ų167140 Ų14086%0.85680%0.797SS**  trans-130.4138.4179.2-59.5-175.9000111.7
717K34.4Very low35.7Very low174 Ų174142.7 Ų142.776%0.75780%0.8SS**PPolyproline II helixtrans-83.9163.7-160-69.5164.6-179.5170.10114.6
718P33.8Very low36.1Very low122 Ų122143.9 Ų143.979%0.79281%0.806SS**PPolyproline II helixtrans-66.3159.8166.829.7-36.1000112.6
719Y36.2Very low36.6Very low226 Ų226144.2 Ų144.289%0.88680%0.803SS**PPolyproline II helixtrans-70.5145.1-178.5-74.6-97.7000112.9
720P40.1Very low37.1Very low110 Ų110146.7 Ų146.771%0.71481%0.807SS**PPolyproline II helixtrans-77.1156.7174.533.1-35.6000112.4
721P43.4Very low37.4Very low116 Ų116144.8 Ų144.875%0.75379%0.792SS**PPolyproline II helixtrans-69.4157.9168.831.2-35.2000111.7
722P43Very low38.5Very low129 Ų129144.9 Ų144.984%0.83879%0.793SS**PPolyproline II helixtrans-64.6148178.427.1-34.7000112.6
723G40.2Very low39.2Very low75 Ų75142.7 Ų142.777%0.77378%0.776SS**PPolyproline II helixtrans-73.3159.1-172.700000115.3
724K41Very low39.8Very low201 Ų201145 Ų14587%0.87478%0.778SS**PPolyproline II helixtrans-71.2144.9173.6-68.8-177.7176.4-178.70111.1
725P38.4Very low40.3Very low126 Ų126139.3 Ų139.382%0.81877%0.772SS**PPolyproline II helixtrans-69.8129.3173.1-18.232000112.8R727P725-R727 PolarHBondContact O-N 3.13Å
726E37.9Very low41.3Very low187 Ų187137.3 Ų137.387%0.87476%0.762SS**  trans-90.483.5175.5-64.9-176.8142.100111.7
727R44Very low41.8Very low227 Ų227138.6 Ų138.686%0.85776%0.756SS**SBendtrans-173.3140.3156.7-98.6140-158-134.34.8110.9P725P725-R727 PolarHBondContact O-N 3.13Å
728P41Very low42Very low119 Ų119133.8 Ų133.877%0.77374%0.743SS**  trans-74.8128.4173.730.4-32.9000111
729V42.8Very low42.4Very low117 Ų117132.7 Ų132.771%0.70974%0.744SS**  trans-85119.4171.7179.30000108.8
730I45.9Very low42.5Very low153 Ų153131.5 Ų131.579%0.78574%0.744SS**  trans-86113.2179.6-57.8173.5000108.8
731C38.9Very low42.4Very low54 Ų54131.9 Ų131.937%0.36575%0.746SS.*  trans-105.5111.4176.3-57.90000110.4K733 C752C731-K733 VanDerWaalsContact C-N 3.31Å; C731-K733 PolarHBondContact O-N 2.98Å; C731-C752 HydrophobicContact CB-CB 3.76Å; C731-C752 WeakPolarHBondContact CB-SG 3.46Å; C731-C752 WeakPolarHBondContact SG-CB 3.37Å; C731-C752 CovalentContact SG-SG 2.04Å; C731-C752 PolarHBondContact SG-SG 3.05Å
732S54.1Low42.2Very low113 Ų113132.3 Ų132.379%0.7975%0.747SS**SBendtrans-70.8-19.7-171.4-47.60000115.2
733K48Very low41.8Very low140 Ų140131.2 Ų131.261%0.60974%0.74SS**SBendtrans-149.8147.5173.5-66.6-169.8178.4-175.90110.2C731C731-K733 VanDerWaalsContact C-N 3.31Å; C731-K733 PolarHBondContact O-N 2.98Å
734P41.7Very low41.7Very low123 Ų123135.6 Ų135.680%0.79975%0.745SS**THydrogen-bonded Turntrans-57.3145168.5-22.733.9000111.7Q736P734-Q736 VanDerWaalsContact C-N 3.32Å; P734-Q736 PolarHBondContact O-N 2.88Å
735G41.6Very low41.5Very low76 Ų76130.8 Ų130.878%0.78474%0.737SS**THydrogen-bonded Turntrans75.2-0.2171.600000117.5
736Q49.7Very low41.5Very low128 Ų128130.1 Ų130.160%0.59874%0.735SS**PPolyproline II helixtrans-88.4140.1174.8-74.7-165.2-58.500113.2P734P734-Q736 VanDerWaalsContact C-N 3.32Å; P734-Q736 PolarHBondContact O-N 2.88Å
737R42.1Very low41.4Very low194 Ų194127.3 Ų127.373%0.73273%0.726SS**PPolyproline II helixtrans-80.4134.8176.4-154-179.5-150.9168.97.4110.1
738P38.2Very low41.2Very low73 Ų73118.2 Ų118.247%0.47470%0.703SS.*PPolyproline II helixtrans-61.2137179.9-25.434.8000113.6
739A42.8Very low41.2Very low100 Ų100114.6 Ų114.683%0.82668%0.679SS**SBendtrans-83.9118.4173.800000110.6
740K37Very low41.1Very low201 Ų201114.8 Ų114.887%0.87468%0.675SS**  trans62.7103.3-175.2-68.5-178.3172.6179.60116.6
741P39.1Very low41.1Very low118 Ų118112.9 Ų112.977%0.76667%0.665SS**PPolyproline II helixtrans-89.5154148.8-2.823.1000111.4
742T38.4Very low41.1Very low125 Ų125111.5 Ų111.577%0.76766%0.656SS**PPolyproline II helixtrans-79.8167.9174.2450000112.7
743P35.5Very low40.7Very low106 Ų106110.4 Ų110.469%0.68865%0.646SS**SBendtrans-57.7174158.628.2-36.4000112
744D38.7Very low40.7Very low167 Ų167109.1 Ų109.189%0.89365%0.65SS**  trans71.335.6175.5-52.1-22.3000117
745S36.8Very low40.6Very low99 Ų99111.8 Ų111.869%0.69265%0.651SS**  trans-130.3114.9156.7-174.80000111.6
746S36.8Very low41Very low113 Ų113115.7 Ų115.779%0.7966%0.655SS**  trans-93.63.4-178.849.40000114.4
747N36.4Very low40.7Very low128 Ų128116.3 Ų116.368%0.68466%0.662SS**SBendtrans-125.577.7-169.2-70.8-44.1000113.5
748G40Very low40.6Very low35 Ų35111.2 Ų111.236%0.36166%0.661SS.*  trans79.9176.6162.400000116.9
749V40.2Very low40.6Very low44 Ų44114.1 Ų114.127%0.26767%0.672SS.*BIsolated β-bridgetrans-109.2124178.2-179.90000109.5L764V749-L764 HydrophobicContact CG2-CD1 3.74Å; V749-L764 HydrophobicContact CG2-CD2 4.18Å; V749-L764 HydrophobicContact CG2-CG 3.82Å
750L41.6Very low40.4Very low121 Ų121117.1 Ų117.163%0.63467%0.668SS**  trans-75.4132.1174.3-73.1164.5000111I759L750-I759 HydrophobicContact CD2-CG2 4.49Å
751I46.1Very low40.4Very low113 Ų113113 Ų11358%0.57966%0.655SS**  trans-120.3137.2175.7-57.3176.4000107.5V762I751-V762 HydrophobicContact CD1-CG2 4.48Å
752C39.3Very low40.3Very low24 Ų24110.7 Ų110.716%0.16264%0.638CS.*PPolyproline II helixtrans-69.2130.7177-53.30000109.9C731C731-C752 HydrophobicContact CB-CB 3.76Å; C731-C752 WeakPolarHBondContact CB-SG 3.46Å; C731-C752 WeakPolarHBondContact SG-CB 3.37Å; C731-C752 CovalentContact SG-SG 2.04Å; C731-C752 PolarHBondContact SG-SG 3.05Å
753P44.4Very low40Very low91 Ų91109.7 Ų109.759%0.59163%0.634SS**PPolyproline II helixtrans-67.9145.2-174.127.7-35.2000112.4
754T47.6Very low39.8Very low112 Ų112110.1 Ų110.169%0.68763%0.63SS**PPolyproline II helixtrans-75.8170.9160.6510000110.1
755H41.2Very low39.5Very low179 Ų179107.8 Ų107.883%0.82962%0.624SS**THydrogen-bonded Turntrans-56.6150.4167-70.6-59.9000111N757H755-N757 PolarHBondContact O-N 2.85Å
756D49Very low39.2Very low159 Ų159109.1 Ų109.185%0.8563%0.628SS**THydrogen-bonded Turntrans68.116172.5-53.8-21.4000119.6
757N43.9Very low39.1Very low141 Ų141109.5 Ų109.575%0.75463%0.628SS**  trans-148.5154.7162.4-106.8-48.7000116.5H755H755-N757 PolarHBondContact O-N 2.85Å
758A40.3Very low38.6Very low87 Ų87110.9 Ų110.972%0.71963%0.633SS**  trans-89.5163.2-17800000113E760A758-E760 PolarHBondContact O-N 3.18Å
759I37.7Very low38.2Very low134 Ų134113.5 Ų113.569%0.68764%0.644SS**  trans-53.8117.7-170.2-56168.8000112.6L750L750-I759 HydrophobicContact CD2-CG2 4.49Å
760E38.7Very low37.8Very low162 Ų162117.8 Ų117.876%0.75767%0.671SS**  trans-110.2136.7172.5-168.9169.8-127.400110.4A758A758-E760 PolarHBondContact O-N 3.18Å
761I35.9Very low37.2Very low116 Ų116115.7 Ų115.760%0.59567%0.671SS**  trans-99.7101.2-176.1-58176.3000109.2P763I761-P763 WeakPolarHBondContact O-CD 3.45Å
762V37Very low36.5Very low69 Ų69117.1 Ų117.142%0.41868%0.675SS.*BIsolated β-bridgetrans-83.6123.5179.8-173.20000110.4I751I751-V762 HydrophobicContact CD1-CG2 4.48Å
763P32.6Very low36.2Very low104 Ų104123.2 Ų123.268%0.67570%0.696SS**PPolyproline II helixtrans-64.7149.3171.2-20.233.4000111.9I761I761-P763 WeakPolarHBondContact O-CD 3.45Å
764L31.2Very low35.5Very low114 Ų114123.2 Ų123.260%0.59770%0.696SS**PPolyproline II helixtrans-66.5139.3171.2-81.8124.3000110.7V749V749-L764 HydrophobicContact CG2-CD1 3.74Å; V749-L764 HydrophobicContact CG2-CD2 4.18Å; V749-L764 HydrophobicContact CG2-CG 3.82Å
765P34Very low34.8Very low118 Ų118120.1 Ų120.177%0.76668%0.679SS**PPolyproline II helixtrans-65139.5174.227.8-34.1000110.6
766T30.4Very low34.4Very low127 Ų127113.5 Ų113.578%0.77965%0.653SS**PPolyproline II helixtrans-62.3150.7172.442.90000111.3
767P32.8Very low33.6Very low122 Ų122109.1 Ų109.179%0.79263%0.634SS**SBendtrans-59.6151.317725.3-34.1000112.1
768I27.1Very low33Very low156 Ų156109 Ų10980%0.863%0.633SS**  trans-40.1129.4-168.8-58165.9000113
769P31.2Very low32.4Very low90 Ų90111.6 Ų111.658%0.58463%0.63SS**  trans-66.8137.7-179.427.5-34.5000112.1E772P769-E772 HydrophobicContact CB-CG 4.39Å; P769-E772 WeakPolarHBondContact CB-OE1 3.46Å
770T31.1Very low31.9Very low135 Ų135110.2 Ų110.283%0.82864%0.638SS**  trans-76.1131.2170.1-42.50000109.1E772T770-E772 PolarHBondContact O-N 3.33Å; T770-E772 VanDerWaalsContact O-N 3.13Å
771A30.8Very low31.3Very low77 Ų77108 Ų10864%0.63664%0.636SS**  trans-28.8106.5-170.200000115.3
772E31.4Very low30.9Very low143 Ų143111 Ų11167%0.66865%0.653SS**  trans-82.8128.9-176.6-58.4-176.8172.700110.2P769 T770P769-E772 HydrophobicContact CB-CG 4.39Å; P769-E772 WeakPolarHBondContact CB-OE1 3.46Å; T770-E772 PolarHBondContact O-N 3.33Å; T770-E772 VanDerWaalsContact O-N 3.13Å
773Y31.4Very low30.4Very low151 Ų151114 Ų11459%0.59266%0.664SS**  trans-106.8118.7173.9-122.4-86.7000108.8
774P30.4Very low30.1Very low91 Ų91115.5 Ų115.559%0.59167%0.671SS**  trans-67.9135.9172.630.2-34000109.2S776P774-S776 PolarHBondContact O-N 3.27Å
775S33.3Very low29.9Very low48 Ų48115 Ų11534%0.33667%0.668SS.*SBendtrans-82.743.5-177.958.70000112.4
776S32.1Very low29.6Very low40 Ų40116.3 Ų116.328%0.2867%0.668SS.*  trans-128.369.2-173.248.40000111P774 L778 E779P774-S776 PolarHBondContact O-N 3.27Å; S776-L778 PolarHBondContact O-N 2.76Å; S776-E779 WeakPolarHBondContact CB-OE2 3.23Å; S776-E779 PolarHBondContact O-N 3.4Å; S776-E779 PolarHBondContact OG-OE2 3.1Å
777S32.2Very low29.4Very low66 Ų66115.5 Ų115.546%0.46267%0.665SS.*THydrogen-bonded Turntrans-75.151.5177.871.50000113.4
778L31.4Very low29.1Very low138 Ų138113.5 Ų113.572%0.72365%0.653SS**THydrogen-bonded Turntrans-152.35.6169.3-119.3171.6000113.1S776S776-L778 PolarHBondContact O-N 2.76Å
779E27.9Very low29.3Very low143 Ų143113.1 Ų113.167%0.66865%0.653SS**  trans-91.7148174.8-66.6176.1141.300110.7S776S776-E779 WeakPolarHBondContact CB-OE2 3.23Å; S776-E779 PolarHBondContact O-N 3.4Å; S776-E779 PolarHBondContact OG-OE2 3.1Å
780A26.5Very low29.3Very low104 Ų104112.1 Ų112.186%0.8665%0.646SS**SBendtrans74.537.4179.800000119.1
781V27.1Very low29.3Very low117 Ų117115.6 Ų115.671%0.70965%0.65SS**  trans-138134150.4-173.20000110M783V781-M783 PolarHBondContact O-N 2.99Å
782N28.1Very low29.5Very low178 Ų178119.3 Ų119.395%0.95265%0.648SS**SBendtrans-74.944.2-179.2-78.7-3.9000114.2
783M25.6Very low29.6Very low133 Ų133118.1 Ų118.166%0.65565%0.646SS**  trans-135.3120.2172.1-70.3-150.6-59.300112V781 I785V781-M783 PolarHBondContact O-N 2.99Å; M783-I785 VanDerWaalsContact C-N 3.35Å; M783-I785 PolarHBondContact O-N 2.67Å
784V26.4Very low29.9Very low135 Ų135117.6 Ų117.682%0.81865%0.651SS**  trans-74.387.5172.5-178.80000109.1L786V784-L786 VanDerWaalsContact C-N 3.25Å; V784-L786 HydrophobicContact CG1-CD1 4.36Å; V784-L786 HydrophobicContact CG1-CG 4.14Å; V784-L786 PolarHBondContact O-N 2.85Å
785I27.5Very low30Very low104 Ų104118.3 Ų118.353%0.53365%0.654SS.*  trans-76.882.7170.4-53.5179.8000108.3M783 P787M783-I785 VanDerWaalsContact C-N 3.35Å; M783-I785 PolarHBondContact O-N 2.67Å; I785-P787 WeakPolarHBondContact O-CD 3.45Å
786L26Very low30Very low144 Ų144122 Ų12275%0.75467%0.67SS**  trans-61.2113.6161.2-87.8156.4000107.9V784 S788V784-L786 VanDerWaalsContact C-N 3.25Å; V784-L786 HydrophobicContact CG1-CD1 4.36Å; V784-L786 HydrophobicContact CG1-CG 4.14Å; V784-L786 PolarHBondContact O-N 2.85Å; L786-S788 PolarHBondContact O-N 3.25Å
787P27.5Very low30Very low110 Ų110128.2 Ų128.271%0.71469%0.694SS**  trans-66.8106.5173.728.1-32.3000107.4I785 L789I785-P787 WeakPolarHBondContact O-CD 3.45Å; P787-L789 PolarHBondContact O-N 3.33Å
788S26.6Very low30Very low80 Ų80131 Ų13156%0.55971%0.709SS**  trans-57.5109.8-17748.40000109.9L786 P790 R943L786-S788 PolarHBondContact O-N 3.25Å; S788-P790 VanDerWaalsContact O-N 3.14Å; S788-R943 PolarHBondContact O-NH1 2.74Å; S788-R943 PolarHBondContact OG-NH1 2.97Å; S788-R943 VanDerWaalsContact OG-NH1 3.07Å
789L30.9Very low30.2Very low149 Ų149129.5 Ų129.578%0.7870%0.701SS**  trans-44.3123.5178.2-78.8169000108.1P787 K791P787-L789 PolarHBondContact O-N 3.33Å; L789-K791 PolarHBondContact O-N 2.84Å
790P31.5Very low30.6Very low69 Ų69125.1 Ų125.145%0.44869%0.689SS.*  trans-58.4121.7179.224.3-32.2000107.4S788 Y792S788-P790 VanDerWaalsContact O-N 3.14Å; P790-Y792 PolarHBondContact O-N 3.24Å
791K31.5Very low31.7Very low208 Ų208125.5 Ų125.590%0.90468%0.676SS**  trans-55114.4171.5-73.4-173.9175-175.90106.5L789 D793L789-K791 PolarHBondContact O-N 2.84Å; K791-D793 PolarHBondContact O-N 3.36Å
792Y35Very low32.7Very low154 Ų154121.6 Ų121.660%0.60465%0.65SS**  trans-58.9124.3179-78.7-88.5000108.6P790 M794P790-Y792 PolarHBondContact O-N 3.24Å; Y792-M794 PolarHBondContact O-N 2.94Å
793D33.7Very low33.7Very low118 Ų118115.5 Ų115.563%0.63162%0.616SS**  trans-75.885.3172.2-168.1-9.2000108.8K791 T795K791-D793 PolarHBondContact O-N 3.36Å; D793-T795 VanDerWaalsContact CG-OG1 3.3Å; D793-T795 PolarHBondContact O-N 2.94Å; D793-T795 VanDerWaalsContact O-N 3.14Å; D793-T795 WeakPolarHBondContact OD1-CB 3.48Å; D793-T795 WeakPolarHBondContact OD1-CG2 3.28Å; D793-T795 PolarHBondContact OD1-N 2.91Å; D793-T795 PolarHBondContact OD1-OG1 3.09Å
794M36.2Very low34.9Very low141 Ų141110.6 Ų110.670%0.69559%0.591SS**G310 helixtrans-68.7-3.3-177.2-70.3-65.9-65.300113.4Y792 N796 Q797Y792-M794 PolarHBondContact O-N 2.94Å; M794-N796 PolarHBondContact O-N 3.44Å; M794-Q797 PolarHBondContact O-N 3.42Å
795T33.5Very low36.5Very low106 Ų106104.5 Ų104.565%0.6555%0.554SS**G310 helixtrans-58.2-32.9-178.655.30000113.3D793D793-T795 VanDerWaalsContact CG-OG1 3.3Å; D793-T795 PolarHBondContact O-N 2.94Å; D793-T795 VanDerWaalsContact O-N 3.14Å; D793-T795 WeakPolarHBondContact OD1-CB 3.48Å; D793-T795 WeakPolarHBondContact OD1-CG2 3.28Å; D793-T795 PolarHBondContact OD1-N 2.91Å; D793-T795 PolarHBondContact OD1-OG1 3.09Å
796N33.7Very low37.3Very low124 Ų124103 Ų10366%0.66355%0.547SS*.G310 helixtrans-89-4-178-74.1-30.5000115.2M794 T798M794-N796 PolarHBondContact O-N 3.44Å; N796-T798 PolarHBondContact O-N 3.03Å
797Q30.8Very low38.3Very low171 Ų17197.8 Ų97.880%0.79952%0.521SS*.  trans53.37.2177.2-59.2-170.4-100117.8M794 I799M794-Q797 PolarHBondContact O-N 3.42Å; Q797-I799 PolarHBondContact O-N 3.06Å
798T32Very low38.7Very low124 Ų124100 Ų10076%0.76152%0.515SS*.  trans-78.3109-178.7480000112.4N796N796-T798 PolarHBondContact O-N 3.03Å
799I35.7Very low39.1Very low108 Ų108100.9 Ų100.955%0.55451%0.514SS*.  trans-69.9148.4168.4-60.4175.2000109.3Q797 I827Q797-I799 PolarHBondContact O-N 3.06Å; I799-I827 HydrophobicContact CD1-CD1 3.85Å; I799-I827 HydrophobicContact CD1-CG1 4.11Å
800A37.8Very low38.9Very low51 Ų5198 Ų9842%0.42150%0.499SS..  trans-84.1113.7-17600000112.7H802A800-H802 PolarHBondContact O-N 2.9Å
801D48.5Very low38.8Very low112 Ų112102.1 Ų102.160%0.59952%0.516SS*.  trans-69.623.4178.3-66.2-36.5000115.2Q1052D801-Q1052 PolarHBondContact O-NE2 2.85Å
802H47.3Very low38.6Very low35 Ų3597.2 Ų97.216%0.16250%0.503CS..SBendtrans-142.7144.3-170.660.7-101.1000114.6A800 H804 V1055A800-H802 PolarHBondContact O-N 2.9Å; H802-H804 AromaticContact CD2-NE2 3.94Å; H802-H804 AromaticContact NE2-CE1 3.81Å; H802-H804 AromaticContact NE2-NE2 3.55Å; H802-H804 PolarHBondContact O-N 2.98Å; H802-V1055 HydrophobicContact CB-CG1 3.45Å; H802-V1055 VanDerWaalsContact CB-CG1 3.45Å
803E51.2Low38.1Very low50 Ų5093.3 Ų93.323%0.23451%0.509CS..EExtended strand (participates in β ladder)trans-81112.4-175.4-166.9-175.8-166.800111.8T822 V1021 R1022E803-T822 WeakPolarHBondContact OE1-CG2 3.27Å; E803-V1021 WeakPolarHBondContact O-CA 3.4Å; E803-R1022 IonicContact OE1-CZ 3.02Å; E803-R1022 IonicContact OE1-NE 2.77Å; E803-R1022 IonicContact OE1-NH2 3.81Å; E803-R1022 PolarHBondContact OE1-NH2 3.23Å; E803-R1022 IonicContact OE2-CZ 3.06Å; E803-R1022 VanDerWaalsContact OE2-CZ 3.26Å; E803-R1022 IonicContact OE2-NE 2.72Å; E803-R1022 PolarHBondContact OE2-NE 2.95Å; E803-R1022 IonicContact OE2-NH2 2.84Å; E803-R1022 PolarHBondContact OE2-NH2 2.81Å
804H50.2Low37.7Very low29 Ų2997.8 Ų97.813%0.13453%0.527CS..EExtended strand (participates in β ladder)trans-75.3134.1170.5-79.8-76000111.8H802 C1015H802-H804 AromaticContact CD2-NE2 3.94Å; H802-H804 AromaticContact NE2-CE1 3.81Å; H802-H804 AromaticContact NE2-NE2 3.55Å; H802-H804 PolarHBondContact O-N 2.98Å; H804-C1015 VanDerWaalsContact CE1-SG 3.55Å
805I58.6Low37.2Very low8 Ų892.8 Ų92.84%0.04151%0.511CS..EExtended strand (participates in β ladder)trans-92.6102.7173.9-56.5171.9000107.5V807 A884 P1020 R1022I805-V807 PolarHBondContact O-N 2.96Å; I805-A884 HydrophobicContact CD1-CB 4.04Å; I805-P1020 HydrophobicContact CB-CB 4.38Å; I805-P1020 HydrophobicContact CB-CG 4.28Å; I805-P1020 PolarHBondContact N-O 3.48Å; I805-R1022 HydrophobicContact CD1-CB 4.32Å; I805-R1022 HydrophobicContact CD1-CG 4.31Å
806L45.9Very low36.8Very low72 Ų7291.3 Ų91.338%0.37751%0.51SS..EExtended strand (participates in β ladder)trans-71.3111.5175.2-62.1179.8000109.6G820 H821 A823L806-G820 CarbonylContact O-C 3.52Å; L806-G820 VanDerWaalsContact O-CA 3.28Å; L806-G820 WeakPolarHBondContact O-CA 3.29Å; L806-H821 WeakPolarHBondContact CA-O 2.91Å; L806-H821 VanDerWaalsContact CB-O 3.3Å; L806-H821 WeakPolarHBondContact CB-O 3.41Å; L806-H821 PolarHBondContact N-O 3.04Å; L806-H821 PolarHBondContact O-N 3.27Å; L806-A823 HydrophobicContact CD1-CB 3.63Å; L806-A823 HydrophobicContact CG-CB 4.22Å
807V47.1Very low36.4Very low35 Ų3589.9 Ų89.921%0.21250%0.501CS..EExtended strand (participates in β ladder)trans-92.1113.1172.1-173.90000108.2I805 A818 P1020I805-V807 PolarHBondContact O-N 2.96Å; V807-A818 HydrophobicContact CG1-CB 3.87Å; V807-P1020 HydrophobicContact CG2-CG 4.07Å
808R35.4Very low36.2Very low155 Ų15582.3 Ų82.359%0.58547%0.468SS*.EExtended strand (participates in β ladder)trans-96.4104.3170.7-80-175.4172.5159.3-3.8110.1N810 A818 K819R808-N810 PolarHBondContact O-N 3.26Å; R808-A818 CarbonylContact O-C 3.54Å; R808-A818 VanDerWaalsContact O-CA 3.25Å; R808-A818 WeakPolarHBondContact O-CA 3.31Å; R808-K819 PolarHBondContact N-O 3.08Å; R808-K819 PolarHBondContact O-N 3.06Å
809D33.7Very low36.2Very low99 Ų9982.6 Ų82.653%0.52946%0.458SS..EExtended strand (participates in β ladder)trans-77.195.7170.4-63-32.8000109.7I811 A818D809-I811 PolarHBondContact O-N 3.05Å; D809-A818 VanDerWaalsContact OD1-CB 3.26Å; D809-A818 WeakPolarHBondContact OD1-CB 2.87Å
810N28.6Very low36Very low88 Ų8880.1 Ų80.147%0.47146%0.46SS..EExtended strand (participates in β ladder)trans-78.4106.8172.2-8119.8000109.4R808 V812 I817R808-N810 PolarHBondContact O-N 3.26Å; N810-V812 PolarHBondContact O-N 3.05Å; N810-I817 PolarHBondContact N-O 2.91Å; N810-I817 PolarHBondContact O-N 3.37Å; N810-I817 VanDerWaalsContact O-N 3.16Å
811I27.5Very low35.7Very low157 Ų15782.3 Ų82.381%0.80546%0.461SS*.  trans-75.9108.8167.2-55.7175.5000108.3D809D809-I811 PolarHBondContact O-N 3.05Å
812V27.5Very low35Very low104 Ų10479.6 Ų79.663%0.6345%0.449SS*.  trans-131.7146.6163.7-177.20000106.2N810 E814 G815N810-V812 PolarHBondContact O-N 3.05Å; V812-E814 PolarHBondContact O-N 2.74Å; V812-G815 PolarHBondContact O-N 2.91Å
813G25.2Very low34.4Very low72 Ų7280.2 Ų80.274%0.74246%0.46SS*.THydrogen-bonded Turntrans-51135.2-174.200000113.1G815G813-G815 VanDerWaalsContact C-N 3.27Å; G813-G815 PolarHBondContact O-N 3.11Å
814E26.2Very low33.3Very low213 Ų21382.8 Ų82.8100%0.99548%0.483SS*.THydrogen-bonded Turntrans58.625.6179.5-56.6-169.5145.700116.1V812V812-E814 PolarHBondContact O-N 2.74Å
815G24.8Very low32.3Very low36 Ų3686.3 Ų86.337%0.37151%0.51SS..  trans177.3102.9163.700000115.3V812 G813 I817V812-G815 PolarHBondContact O-N 2.91Å; G813-G815 VanDerWaalsContact C-N 3.27Å; G813-G815 PolarHBondContact O-N 3.11Å; G815-I817 PolarHBondContact O-N 2.88Å
816A24.2Very low30.8Very low75 Ų7592.9 Ų92.962%0.6255%0.546SS*.  trans-66.7115.5169.500000110.9
817I25.7Very low29.9Very low94 Ų9496.2 Ų96.248%0.48256%0.562SS.*EExtended strand (participates in β ladder)trans-108.898.3-179.3-60.8174.7000109.7N810 G815 K819N810-I817 PolarHBondContact N-O 2.91Å; N810-I817 PolarHBondContact O-N 3.37Å; N810-I817 VanDerWaalsContact O-N 3.16Å; G815-I817 PolarHBondContact O-N 2.88Å; I817-K819 HydrophobicContact CG2-CG 4.33Å; I817-K819 PolarHBondContact O-N 3.05Å
818A28Very low29Very low12 Ų12102.7 Ų102.710%0.09959%0.594CS.*EExtended strand (participates in β ladder)trans-76.2110.6174.200000111.6V807 R808 D809 S989V807-A818 HydrophobicContact CG1-CB 3.87Å; R808-A818 CarbonylContact O-C 3.54Å; R808-A818 VanDerWaalsContact O-CA 3.25Å; R808-A818 WeakPolarHBondContact O-CA 3.31Å; D809-A818 VanDerWaalsContact OD1-CB 3.26Å; D809-A818 WeakPolarHBondContact OD1-CB 2.87Å; A818-S989 WeakPolarHBondContact CB-O 3.42Å; A818-S989 WeakPolarHBondContact O-CB 3.33Å
819K30.2Very low28.4Very low129 Ų12998.1 Ų98.156%0.56160%0.595SS**EExtended strand (participates in β ladder)trans-104.3126.2174-84.5-175.9177.4177.70112.1R808 I817R808-K819 PolarHBondContact N-O 3.08Å; R808-K819 PolarHBondContact O-N 3.06Å; I817-K819 HydrophobicContact CG2-CG 4.33Å; I817-K819 PolarHBondContact O-N 3.05Å
820G32Very low28.1Very low57 Ų57102.2 Ų102.259%0.58862%0.615SS**EExtended strand (participates in β ladder)trans-80.7121.2174.700000112.2L806L806-G820 CarbonylContact O-C 3.52Å; L806-G820 VanDerWaalsContact O-CA 3.28Å; L806-G820 WeakPolarHBondContact O-CA 3.29Å
821H32.9Very low28Very low96 Ų96101.3 Ų101.344%0.44463%0.627SS.*EExtended strand (participates in β ladder)trans-122.4163.3167.9-77.6-82.7000110.6L806L806-H821 WeakPolarHBondContact CA-O 2.91Å; L806-H821 VanDerWaalsContact CB-O 3.3Å; L806-H821 WeakPolarHBondContact CB-O 3.41Å; L806-H821 PolarHBondContact N-O 3.04Å; L806-H821 PolarHBondContact O-N 3.27Å
822T33.6Very low28Very low55 Ų55102 Ų10234%0.33763%0.632SS.*EExtended strand (participates in β ladder)trans-113.1133.8-176.850.80000109.8E803E803-T822 WeakPolarHBondContact OE1-CG2 3.27Å
823A33.5Very low28Very low49 Ų49102.8 Ų102.841%0.40564%0.642SS.*EExtended strand (participates in β ladder)trans-128132171.500000110.5L806L806-A823 HydrophobicContact CD1-CB 3.63Å; L806-A823 HydrophobicContact CG-CB 4.22Å
824S29Very low28.1Very low103 Ų103106.7 Ų106.772%0.7264%0.643SS**  trans-95.6142.7163.9-171.40000108.3D826S824-D826 PolarHBondContact O-N 3.16Å
825C29.3Very low28.1Very low103 Ų103103 Ų10370%0.69663%0.63SS**  trans-94.894.8179.6-66.50000110.4
826D27Very low28.2Very low147 Ų147106.5 Ų106.579%0.78665%0.649SS**  trans-87.9149.7170.1-75.6-55.3000112.1S824S824-D826 PolarHBondContact O-N 3.16Å
827I25.8Very low28.2Very low142 Ų142110.9 Ų110.973%0.72866%0.661SS**  trans-85.5128.9-164.8-56.8166.1000111.7I799I799-I827 HydrophobicContact CD1-CD1 3.85Å; I799-I827 HydrophobicContact CD1-CG1 4.11Å
828I28.4Very low28.2Very low171 Ų171114.6 Ų114.688%0.87768%0.681SS**  trans-133.5140.8164-54.6179.5000107.8
829G24.2Very low28.2Very low59 Ų59120 Ų12061%0.60872%0.715SS**  trans-158177.8-17900000114.7
830I26.6Very low27.9Very low184 Ų184117.1 Ų117.194%0.94472%0.722SS**  trans69.8126179.8-46174.9000114.2
831G26.5Very low27.7Very low70 Ų70124.3 Ų124.372%0.72274%0.737SS**  trans161.991.317100000113.3S833G831-S833 PolarHBondContact O-N 3.17Å
832N26.5Very low27.4Very low171 Ų171125.4 Ų125.491%0.91476%0.756SS**  trans-63.7120.6-177.8-60.3-13.3000112.1
833S28.2Very low27.1Very low121 Ų121127.4 Ų127.485%0.84677%0.772SS**  trans-154.6140.6147.7-155.30000110.4G831G831-S833 PolarHBondContact O-N 3.17Å
834M27.7Very low26.7Very low153 Ų153132.4 Ų132.475%0.75479%0.792SS**  trans-114.1170-177.6-95.4178.859.900110.6
835D25.9Very low26.6Very low135 Ų135135.6 Ų135.672%0.72280%0.795SS**  trans59.678.6155.4-54.5-21.7000118.1
836S26.3Very low26.6Very low111 Ų111136.7 Ų136.778%0.77679%0.793SS**  trans-155.4161.5139.1-7.70000111
837L25.2Very low26.8Very low167 Ų167137.9 Ų137.987%0.87480%0.797SS**SBendtrans69.239.1174.5-49-177.6000117.1
838L26Very low26.7Very low172 Ų172134.5 Ų134.590%0.90180%0.798SS**  trans-126.7113.9150.9-81.6179.8000111.4
839P26.9Very low26.7Very low125 Ų125134 Ų13481%0.81280%0.797SS**  trans-121.2157.4142.636.6-28.1000111.1
840G24.6Very low26.9Very low69 Ų69139.1 Ų139.171%0.71181%0.805SS**  cis163.679.4-7.100000115.7
841K27.4Very low26.9Very low207 Ų207137.4 Ų137.490%0.980%0.796SS**  trans62.4165.1160.4-71-175.1175.9179.90119.7
842S26.1Very low26.8Very low120 Ų120140.3 Ų140.384%0.83980%0.795SS**  trans85.2156.3160.7-450000117.9
843S28.2Very low26.8Very low97 Ų97139 Ų13968%0.67879%0.788SS**  trans-76.7177.4172.647.70000110.3
844D24.5Very low26.6Very low153 Ų153139.6 Ų139.682%0.81879%0.787SS**  -156.2-178.566.2-75-38.5000113.9
845E28.4Very low26.8Very low170 Ų170138.9 Ų138.979%0.79479%0.785SS**  trans-84158178.1-115.9-174.2124.700113.4
846I27.4Very low26.8Very low127 Ų127138.4 Ų138.465%0.65179%0.789SS**  trans71.8112.7148.2-68168.1000119.4
847I32Very low26.7Very low171 Ų171139.5 Ų139.588%0.87779%0.786SS**  trans50.5118.6141.4-52.8172.9000119.5
848G24Very low26.7Very low71 Ų71136.3 Ų136.373%0.73278%0.784SS**  trans-167152.9161.900000112.4
849N28.6Very low26.7Very low160 Ų160134.4 Ų134.486%0.85678%0.78SS**  trans-108.7168.8178-84.8-12.5000111.7
850E27.3Very low26.5Very low168 Ų168131.6 Ų131.679%0.78577%0.773SS**  trans77.7138153.4-85.8-176.1131.100121.7
851I26.7Very low26.5Very low147 Ų147132.6 Ų132.675%0.75477%0.774SS**  trans72138.4151.6-63.2159.8000115.9
852D25.4Very low26.3Very low131 Ų131130.4 Ų130.470%0.70177%0.772SS**  cis-140.5177.14.7-149.8-14.2000113
853N25.4Very low26.1Very low143 Ų143131.7 Ų131.777%0.76577%0.768SS**  trans-106.6102.9172-57.6-93000111.9
854T24.9Very low26.1Very low135 Ų135133 Ų13383%0.82877%0.772SS**  trans-166.1150.8146.38.60000115.7
855I32Very low26Very low137 Ų137133.6 Ų133.670%0.70377%0.77SS**  trans-49.9161178.7-11.4178.8000115.3
856P25.2Very low25.9Very low125 Ų125130.2 Ų130.281%0.81276%0.762SS**  -134.9156.197.237.2-27.3000115.5
857D24.1Very low25.8Very low135 Ų135130.5 Ų130.572%0.72278%0.775SS**  trans-63144.5-179.9-88.3-63.5000114.2
858A25.9Very low25.5Very low99 Ų99131.9 Ų131.982%0.81877%0.774SS**  trans-125.257.8172.300000111.3G860A858-G860 PolarHBondContact O-N 3.33Å
859T25.2Very low25.7Very low133 Ų133131.6 Ų131.682%0.81677%0.771SS**  trans-7063.6171.648.50000112.1A861T859-A861 PolarHBondContact O-N 3.34Å
860G23.9Very low25.6Very low66 Ų66135.1 Ų135.168%0.6877%0.772SS**  trans-82.696.9173.100000111.1A858 L862A858-G860 PolarHBondContact O-N 3.33Å; G860-L862 PolarHBondContact O-N 2.99Å
861A23.9Very low25.6Very low89 Ų89135 Ų13574%0.73678%0.777SS**  trans-67104.117700000111T859 I863T859-A861 PolarHBondContact O-N 3.34Å; A861-I863 VanDerWaalsContact C-N 3.34Å; A861-I863 PolarHBondContact O-N 3.11Å
862L23.7Very low25.7Very low161 Ų161132.7 Ų132.784%0.84377%0.774SS**  trans-7090.4170.1-85.5168000110G860 T864G860-L862 PolarHBondContact O-N 2.99Å; L862-T864 VanDerWaalsContact C-N 3.34Å; L862-T864 PolarHBondContact O-N 3.02Å
863I22.4Very low25.8Very low147 Ų147133.3 Ų133.375%0.75478%0.783SS**  trans-68.591.1172.6-56.9173.8000108.6A861 E865A861-I863 VanDerWaalsContact C-N 3.34Å; A861-I863 PolarHBondContact O-N 3.11Å; I863-E865 HydrophobicContact CG2-CG 4.17Å; I863-E865 PolarHBondContact O-N 2.84Å
864T26.9Very low26Very low126 Ų126135.4 Ų135.477%0.77379%0.788SS**  trans-79.489.3165.645.30000109.1L862L862-T864 VanDerWaalsContact C-N 3.34Å; L862-T864 PolarHBondContact O-N 3.02Å
865E23.5Very low26Very low165 Ų165136.7 Ų136.777%0.77178%0.784SS**  trans-57.5131173.3-80.5-144.5120.100111I863 C867I863-E865 HydrophobicContact CG2-CG 4.17Å; I863-E865 PolarHBondContact O-N 2.84Å; E865-C867 PolarHBondContact O-N 2.77Å
866P25.5Very low25.9Very low98 Ų98139.1 Ų139.164%0.63679%0.792SS**  trans-73.4128.5176.529.6-33.5000110.2K868P866-K868 PolarHBondContact O-N 2.91Å
867C25.2Very low26.4Very low134 Ų134141.7 Ų141.791%0.90579%0.793SS**  trans-61.887.2-175.2-52.50000113.3E865 G869E865-C867 PolarHBondContact O-N 2.77Å; C867-G869 PolarHBondContact O-N 2.92Å
868K26.9Very low27.2Very low200 Ų200142 Ų14287%0.8779%0.785SS**  trans-78.560.6174.6-76.1-179.2175.8172.90111.9P866P866-K868 PolarHBondContact O-N 2.91Å
869G28Very low27.8Very low64 Ų64144.2 Ų144.266%0.6678%0.784SS**  trans-99.963.5-17200000116.2C867C867-G869 PolarHBondContact O-N 2.92Å
870R26.3Very low29.5Very low234 Ų234145.1 Ų145.188%0.88378%0.778SS**  trans44.687.2150.1-165.6179.4-174.8165.81118.8
871N26.5Very low31.6Very low165 Ų165144.2 Ų144.288%0.88276%0.757SS**  trans51.581.8152-667.9000119.2
872S30.1Very low33.8Very low100 Ų100140.1 Ų140.170%0.69972%0.724SS**  trans-141.6138.2148.757.60000110
873T27.6Very low35.7Very low144 Ų144133.2 Ų133.288%0.88369%0.691SS**  trans-116.468.6-169.652.80000112.3
874E28Very low37.9Very low187 Ų187126.5 Ų126.587%0.87466%0.658SS**  trans-152.956.4-177.7-129.9161.1-127.600114.7
875H26.4Very low39.9Very low161 Ų161120.7 Ų120.775%0.74562%0.622SS**  trans-121.356.9-179.3-82.7-54.4000114.7
876H28.4Very low42.1Very low189 Ų189113 Ų11388%0.87559%0.587SS**  trans-146.486.2175.2-72.7-53.3000114.9
877Q35.9Very low45.1Very low178 Ų178108.3 Ų108.383%0.83256%0.557SS**  trans-156.77.5160.5-136.4177.3-7.100118.3
878Y40.4Very low48.1Very low141 Ų141102.1 Ų102.155%0.55351%0.514SS*.  trans-92.8-15.6-164.1-67.6-82.9000116.7H880 L881Y878-H880 PolarHBondContact O-N 3.29Å; Y878-L881 HydrophobicContact CD1-CD1 4.36Å
879D39.9Very low51.1Low147 Ų14792.6 Ų92.679%0.78647%0.473SS*.THydrogen-bonded Turntrans-71.29-170-59.3-53.8000116.4
880H60.8Low54.1Low152 Ų15289.8 Ų89.870%0.70444%0.443SS*.THydrogen-bonded Turntrans-128.27-169.1-68.9-6.1000115Y878 W1072Y878-H880 PolarHBondContact O-N 3.29Å; H880-W1072 PolarHBondContact O-NE1 3.36Å
881L67.1Low56.9Low46 Ų4681.7 Ų81.724%0.24142%0.416CS..SBendtrans-87.4156.7179-68.9166.9000111.8Y878 Y1010 R1022 W1072Y878-L881 HydrophobicContact CD1-CD1 4.36Å; L881-Y1010 HydrophobicContact CD2-CE2 3.83Å; L881-R1022 VanDerWaalsContact CB-CZ 3.42Å; L881-R1022 VanDerWaalsContact CB-NH1 3.33Å; L881-R1022 VanDerWaalsContact CD1-NH2 3.34Å; L881-W1072 HydrophobicContact CD2-CZ2 4.27Å
882P70Confident59.7Low4 Ų475.4 Ų75.43%0.02638%0.382CS..  trans-73.4152.7-175.630.5-33.1000112F994 R1022 L1065 W1072P882-F994 HydrophobicContact CB-CE1 4.08Å; P882-F994 HydrophobicContact CB-CZ 4.16Å; P882-R1022 PolarHBondContact O-NH1 3.04Å; P882-L1065 HydrophobicContact CB-CD1 3.75Å; P882-L1065 HydrophobicContact CG-CD1 4.09Å; P882-W1072 HydrophobicContact CB-CD2 4.14Å; P882-W1072 HydrophobicContact CB-CG 4.01Å; P882-W1072 HydrophobicContact CG-CD2 4.14Å; P882-W1072 HydrophobicContact CG-CE3 4.34Å
883G65.1Low62.1Low16 Ų1674.2 Ų74.217%0.16537%0.373CS..  trans-79.8179.917100000113.1
884A68Low64.4Low6 Ų671 Ų715%0.0537%0.368CS..  trans-75.3147.8-176.900000113.4I805 G886 S1012 P1020I805-A884 HydrophobicContact CD1-CB 4.04Å; A884-G886 PolarHBondContact O-N 3.18Å; A884-S1012 WeakPolarHBondContact CA-OG 3.14Å; A884-P1020 HydrophobicContact CB-CB 3.69Å
885S67.8Low66.5Low4 Ų467.4 Ų67.43%0.02836%0.364CS..BIsolated β-bridgetrans-9575168.8-166.40000110.4V887 G903 T904 S1012S885-V887 VanDerWaalsContact C-N 3.25Å; S885-V887 PolarHBondContact O-N 3.4Å; S885-G903 PolarHBondContact OG-O 3.02Å; S885-T904 PolarHBondContact OG-OG1 2.78Å; S885-S1012 PolarHBondContact N-OG 3.48Å; S885-S1012 VanDerWaalsContact N-OG 3.17Å
886G70.9Confident68.9Low2 Ų262.8 Ų62.82%0.02135%0.349CS..  trans-72.665.5-178.900000114.4A884 G937A884-G886 PolarHBondContact O-N 3.18Å; G886-G937 CarbonylContact C-O 3.59Å; G886-G937 VanDerWaalsContact C-O 3.24Å; G886-G937 WeakPolarHBondContact CA-O 3.16Å; G886-G937 PolarHBondContact O-N 3.45Å
887V87.3Confident71.3Confident1 Ų155.6 Ų55.61%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-139118.9175.6-176.40000109.5S885 T902 G903 L905 V917 V934 Y935 V936 V991S885-V887 VanDerWaalsContact C-N 3.25Å; S885-V887 PolarHBondContact O-N 3.4Å; V887-T902 CarbonylContact O-C 3.58Å; V887-T902 WeakPolarHBondContact O-CA 3.4Å; V887-T902 WeakPolarHBondContact O-CG2 3.47Å; V887-G903 PolarHBondContact O-N 2.95Å; V887-L905 HydrophobicContact CG2-CB 4.24Å; V887-V917 HydrophobicContact CG1-CG1 3.75Å; V887-V917 HydrophobicContact CG1-CG2 4.19Å; V887-V934 HydrophobicContact CG1-CG1 3.53Å; V887-Y935 WeakPolarHBondContact CA-O 3.33Å; V887-V936 HydrophobicContact CG1-CG2 4.41Å; V887-V936 HydrophobicContact CG2-CG1 4.38Å; V887-V936 HydrophobicContact CG2-CG2 4.47Å; V887-V991 HydrophobicContact CG2-CG1 4.04Å
888H89.3Confident73.5Confident4 Ų453.6 Ų53.62%0.01931%0.306CS..EExtended strand (participates in β ladder)trans-126137.3-175.7-62.5-62.1000111.2F890 Y935 L940H888-F890 HydrophobicContact CB-CE2 3.88Å; H888-Y935 PolarHBondContact N-O 2.89Å; H888-Y935 PolarHBondContact O-N 2.88Å; H888-L940 HydrophobicContact CB-CD1 4.02Å
889I90.6Very high75.4Confident0 Ų048.4 Ų48.40%029%0.29CS..EExtended strand (participates in β ladder)trans-109.6129.2-174.5-63.5161.3000109.3L900 C901 T919 V924 Y932 V934 L979I889-L900 PolarHBondContact O-N 3.42Å; I889-C901 PolarHBondContact N-O 3.31Å; I889-T919 HydrophobicContact CD1-CG2 3.68Å; I889-V924 HydrophobicContact CD1-CG2 4.47Å; I889-V924 HydrophobicContact CG2-CG2 3.87Å; I889-Y932 HydrophobicContact CG2-CD1 4.33Å; I889-V934 HydrophobicContact CG1-CG2 4.24Å; I889-L979 HydrophobicContact CD1-CD1 3.7Å; I889-L979 HydrophobicContact CG1-CD1 3.99Å; I889-L979 HydrophobicContact CG2-CD1 4.47Å
890F89.2Confident77.5Confident5 Ų543.6 Ų43.62%0.02226%0.264CS..EExtended strand (participates in β ladder)trans-118.2146.7-176.8-69.9-98.6000110.8H888 I897 K898 P899 Y932 R933 L940 L953H888-F890 HydrophobicContact CB-CE2 3.88Å; F890-I897 HydrophobicContact CB-CG2 4.17Å; F890-I897 HydrophobicContact CD1-CG2 3.66Å; F890-I897 HydrophobicContact CE1-CG2 4.4Å; F890-I897 HydrophobicContact CG-CG2 4.2Å; F890-K898 CarbonylContact C-O 3.55Å; F890-K898 VanDerWaalsContact CA-O 3.32Å; F890-K898 WeakPolarHBondContact CA-O 3.16Å; F890-P899 HydrophobicContact CD1-CB 4Å; F890-P899 HydrophobicContact CE1-CB 3.69Å; F890-P899 HydrophobicContact CE1-CG 4.29Å; F890-P899 HydrophobicContact CZ-CB 4.25Å; F890-Y932 WeakPolarHBondContact O-CA 3.44Å; F890-R933 PolarHBondContact N-O 2.83Å; F890-R933 PolarHBondContact O-N 2.85Å; F890-L940 HydrophobicContact CE2-CD1 4.39Å; F890-L940 HydrophobicContact CZ-CD1 3.81Å; F890-L953 HydrophobicContact CB-CD2 4.35Å; F890-L953 HydrophobicContact CD2-CD2 3.69Å; F890-L953 HydrophobicContact CE2-CD2 4.25Å; F890-L953 HydrophobicContact CG-CD2 4.16Å
891M86.2Confident78.9Confident64 Ų6436.5 Ų36.532%0.31523%0.231SC..EExtended strand (participates in β ladder)trans-101.3132.7165.3-177.8-178.4-72.200109.6K898 L900 N931 Y932M891-K898 PolarHBondContact N-O 2.83Å; M891-K898 PolarHBondContact O-N 2.89Å; M891-L900 HydrophobicContact CB-CD1 3.97Å; M891-L900 HydrophobicContact CB-CD2 4.21Å; M891-L900 HydrophobicContact CB-CG 4.13Å; M891-L900 HydrophobicContact CE-CD1 4.24Å; M891-N931 WeakPolarHBondContact CA-O 3.11Å; M891-Y932 HydrophobicContact CE-CE1 3.92Å
892I84.7Confident80Confident33 Ų3334.3 Ų34.317%0.16922%0.22CC..EExtended strand (participates in β ladder)trans-95.8132.4166.2-61.5-172.3000108.7G894 S896 I897 N931 R933I892-G894 WeakPolarHBondContact CG2-O 3.49Å; I892-S896 WeakPolarHBondContact CA-O 3.5Å; I892-I897 HydrophobicContact CG1-CG1 4.35Å; I892-N931 PolarHBondContact N-O 2.98Å; I892-R933 HydrophobicContact CD1-CG 3.51Å; I892-R933 HydrophobicContact CG1-CG 3.94Å
893S79.9Confident80.9Confident75 Ų7534.1 Ų34.152%0.52422%0.218SC..EExtended strand (participates in β ladder)trans-139103.6170.6-173.80000109S895 S896S893-S895 PolarHBondContact O-N 3.49Å; S893-S896 PolarHBondContact N-O 2.92Å; S893-S896 WeakPolarHBondContact O-CB 3.3Å; S893-S896 PolarHBondContact O-N 3.04Å; S893-S896 PolarHBondContact O-OG 3.19Å
894G76.3Confident82.1Confident75 Ų7533.4 Ų33.477%0.77321%0.21SC*.THydrogen-bonded Turntrans58.6-125-167.800000111.1I892I892-G894 WeakPolarHBondContact CG2-O 3.49Å
895S72.7Confident83Confident112 Ų11233.1 Ų33.178%0.78321%0.208SC*.THydrogen-bonded Turntrans-83.3-5.2173.952.20000114.4S893S893-S895 PolarHBondContact O-N 3.49Å
896S76.6Confident83.9Confident64 Ų6434.8 Ų34.845%0.44821%0.214SC..EExtended strand (participates in β ladder)trans-88.1134.2-179720000112.1I892 S893I892-S896 WeakPolarHBondContact CA-O 3.5Å; S893-S896 PolarHBondContact N-O 2.92Å; S893-S896 WeakPolarHBondContact O-CB 3.3Å; S893-S896 PolarHBondContact O-N 3.04Å; S893-S896 PolarHBondContact O-OG 3.19Å
897I79.5Confident84.3Confident38 Ų3835.7 Ų35.720%0.19522%0.222CC..EExtended strand (participates in β ladder)trans-116.8117.9174.9-56.9-178.9000107.3F890 I892 V946 L949 N950 L953F890-I897 HydrophobicContact CB-CG2 4.17Å; F890-I897 HydrophobicContact CD1-CG2 3.66Å; F890-I897 HydrophobicContact CE1-CG2 4.4Å; F890-I897 HydrophobicContact CG-CG2 4.2Å; I892-I897 HydrophobicContact CG1-CG1 4.35Å; I897-V946 HydrophobicContact CD1-CG1 3.75Å; I897-V946 HydrophobicContact CG1-CG1 4.13Å; I897-L949 HydrophobicContact CB-CD2 4.46Å; I897-L949 HydrophobicContact CD1-CD2 4.26Å; I897-L949 HydrophobicContact CD1-CG 4.33Å; I897-L949 HydrophobicContact CG2-CD2 3.92Å; I897-N950 HydrophobicContact CD1-CB 4.11Å; I897-L953 HydrophobicContact CD1-CD1 4.13Å; I897-L953 HydrophobicContact CG2-CD1 3.89Å
898K82Confident83.7Confident136 Ų13639.5 Ų39.559%0.59124%0.238SC*.EExtended strand (participates in β ladder)trans-120.8123.8-175.8-175.3177.6178.7-179.70111.5F890 M891F890-K898 CarbonylContact C-O 3.55Å; F890-K898 VanDerWaalsContact CA-O 3.32Å; F890-K898 WeakPolarHBondContact CA-O 3.16Å; M891-K898 PolarHBondContact N-O 2.83Å; M891-K898 PolarHBondContact O-N 2.89Å
899P80.7Confident82.7Confident33 Ų3350.3 Ų50.321%0.21428%0.278CS..EExtended strand (participates in β ladder)trans-65.2137.8169.927.7-33.7000110.1F890 Y1058F890-P899 HydrophobicContact CD1-CB 4Å; F890-P899 HydrophobicContact CE1-CB 3.69Å; F890-P899 HydrophobicContact CE1-CG 4.29Å; F890-P899 HydrophobicContact CZ-CB 4.25Å; P899-Y1058 HydrophobicContact CB-CD2 4.19Å; P899-Y1058 HydrophobicContact CB-CE1 4.45Å; P899-Y1058 HydrophobicContact CB-CE2 3.85Å; P899-Y1058 HydrophobicContact CG-CE1 4.26Å; P899-Y1058 HydrophobicContact CG-CE2 3.78Å
900L84.1Confident81.7Confident46 Ų4654.4 Ų54.424%0.24132%0.321CS..EExtended strand (participates in β ladder)trans-112.2-52.6177.8-62.5-175000112.5I889 M891 Y932I889-L900 PolarHBondContact O-N 3.42Å; M891-L900 HydrophobicContact CB-CD1 3.97Å; M891-L900 HydrophobicContact CB-CD2 4.21Å; M891-L900 HydrophobicContact CB-CG 4.13Å; M891-L900 HydrophobicContact CE-CD1 4.24Å; L900-Y932 HydrophobicContact CD1-CD1 4.07Å; L900-Y932 HydrophobicContact CD1-CE1 3.6Å
901C90.2Very high80.9Confident3 Ų358.5 Ų58.52%0.0234%0.34CS..EExtended strand (participates in β ladder)trans-163.3174.5-163.480.80000112.1I889 C923 V1060I889-C901 PolarHBondContact N-O 3.31Å; C901-C923 HydrophobicContact CB-CB 3.54Å; C901-C923 WeakPolarHBondContact CB-SG 3.23Å; C901-C923 WeakPolarHBondContact SG-CB 3.29Å; C901-C923 CovalentContact SG-SG 2.01Å; C901-C923 PolarHBondContact SG-SG 3.31Å; C901-V1060 HydrophobicContact CB-CB 4.07Å; C901-V1060 HydrophobicContact CB-CG1 4.44Å; C901-V1060 VanDerWaalsContact CB-O 3.28Å; C901-V1060 WeakPolarHBondContact CB-O 3.49Å
902T89.6Confident80.3Confident0 Ų061.2 Ų61.20%035%0.352CS..EExtended strand (participates in β ladder)trans-100.1168.5175.9-56.80000110.1V887 T919 Y1058 V1060 G1061V887-T902 CarbonylContact O-C 3.58Å; V887-T902 WeakPolarHBondContact O-CA 3.4Å; V887-T902 WeakPolarHBondContact O-CG2 3.47Å; T902-T919 PolarHBondContact O-OG1 3.43Å; T902-Y1058 PolarHBondContact N-O 2.87Å; T902-Y1058 PolarHBondContact OG1-O 3.48Å; T902-V1060 PolarHBondContact N-O 2.82Å; T902-G1061 CarbonylContact O-C 3.55Å; T902-G1061 VanDerWaalsContact O-CA 3.3Å; T902-G1061 WeakPolarHBondContact O-CA 3.45Å
903G89.5Confident80.1Confident0 Ų063.1 Ų63.10%036%0.358CS..  trans-151.7-170.4168.500000111.6S885 V887 V918S885-G903 PolarHBondContact OG-O 3.02Å; V887-G903 PolarHBondContact O-N 2.95Å; G903-V918 WeakPolarHBondContact CA-O 3.38Å
904T89.7Confident80.3Confident0 Ų059.7 Ų59.70%033%0.334CS..EExtended strand (participates in β ladder)trans-138.3135171.7-54.90000110.1S885 Y906 V918 F994 P1063S885-T904 PolarHBondContact OG-OG1 2.78Å; T904-Y906 PolarHBondContact O-N 3.1Å; T904-V918 PolarHBondContact N-O 2.04Å; T904-V918 PolarHBondContact O-N 3.18Å; T904-F994 HydrophobicContact CG2-CD2 4.2Å; T904-P1063 WeakPolarHBondContact OG1-CB 3.38Å; T904-P1063 WeakPolarHBondContact OG1-CD 3.48Å; T904-P1063 VanDerWaalsContact OG1-CG 3.29Å; T904-P1063 WeakPolarHBondContact OG1-CG 3.28Å
905L87.4Confident80.9Confident1 Ų157.5 Ų57.51%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-70.1125.3173.4-170.766.2000109.2V887 V917 V985 V987 V991 S993V887-L905 HydrophobicContact CG2-CB 4.24Å; L905-V917 HydrophobicContact CD1-CG2 3.86Å; L905-V985 HydrophobicContact CD2-CB 4.5Å; L905-V987 HydrophobicContact CD2-CG2 3.97Å; L905-V991 HydrophobicContact CD2-CG1 4.38Å; L905-S993 WeakPolarHBondContact O-CA 3.44Å; L905-S993 WeakPolarHBondContact O-CB 3.45Å; L905-S993 PolarHBondContact O-OG 3.22Å
906Y86.2Confident81.6Confident39 Ų3952.4 Ų52.415%0.15327%0.268CS..  trans-102.3106.5180170-105.2000110.2T904 K908 S914 E916 V918 L996 A1113T904-Y906 PolarHBondContact O-N 3.1Å; Y906-K908 HydrophobicContact CE1-CG 4.08Å; Y906-S914 WeakPolarHBondContact O-CB 3.16Å; Y906-S914 PolarHBondContact O-OG 2.86Å; Y906-E916 HydrophobicContact CD1-CB 4.23Å; Y906-E916 VanDerWaalsContact CD1-OE2 3.27Å; Y906-E916 WeakPolarHBondContact CD1-OE2 3.42Å; Y906-E916 WeakPolarHBondContact CE1-OE2 3.24Å; Y906-E916 PolarHBondContact N-O 3.49Å; Y906-V918 HydrophobicContact CG-CG2 4.39Å; Y906-L996 HydrophobicContact CD2-CD1 3.94Å; Y906-L996 HydrophobicContact CD2-CG 3.96Å; Y906-L996 HydrophobicContact CE2-CD1 3.6Å; Y906-L996 HydrophobicContact CE2-CG 3.73Å; Y906-A1113 HydrophobicContact CD1-CB 4.01Å; Y906-A1113 HydrophobicContact CE1-CB 3.56Å
907A79Confident82.3Confident21 Ų2149.3 Ų49.317%0.17425%0.246CC..  trans-97.5130.7176.100000110.8V987 S993A907-V987 HydrophobicContact CB-CG2 3.82Å; A907-S993 PolarHBondContact N-OG 2.86Å
908K73.5Confident82.7Confident81 Ų8147.7 Ų47.735%0.35224%0.238SC..  trans-66.8142171.5-68.5160.2-171.4161.70108.5Y906 G910 Q911 E916Y906-K908 HydrophobicContact CE1-CG 4.08Å; K908-G910 PolarHBondContact O-N 3.18Å; K908-Q911 HydrophobicContact CB-CG 4.38Å; K908-Q911 WeakPolarHBondContact O-CB 3.11Å; K908-Q911 PolarHBondContact O-N 3.02Å; K908-E916 WeakPolarHBondContact CE-OE1 3.5Å; K908-E916 WeakPolarHBondContact CE-OE2 3.42Å; K908-E916 IonicContact NZ-OE1 3.94Å; K908-E916 PolarHBondContact NZ-OE1 3.02Å; K908-E916 IonicContact NZ-OE2 2.74Å; K908-E916 PolarHBondContact NZ-OE2 2.97Å
909R69.1Low83.2Confident230 Ų23041.2 Ų41.287%0.86821%0.21SC*.THydrogen-bonded Turntrans-57.1113.3-167.4-177.3-179.5-179.5178.8-1.5111.8
910G68.7Low83.6Confident86 Ų8639.7 Ų39.789%0.88720%0.2SC*.THydrogen-bonded Turntrans95.35.6-179.200000115K908K908-G910 PolarHBondContact O-N 3.18Å
911Q73.2Confident83.7Confident92 Ų9237.7 Ų37.743%0.4319%0.19SC..  trans-97.5129.7170.8-63.7-169.7-31.800111K908 Y913K908-Q911 HydrophobicContact CB-CG 4.38Å; K908-Q911 WeakPolarHBondContact O-CB 3.11Å; K908-Q911 PolarHBondContact O-N 3.02Å; Q911-Y913 VanDerWaalsContact C-N 3.32Å
912E73.8Confident83.4Confident120 Ų12041.2 Ų41.256%0.56120%0.203SC*.SBendtrans-79.2-10.7174-68.1-172.8-169.600113.8K986 V987E912-K986 CarbonylContact O-C 3.43Å; E912-K986 WeakPolarHBondContact O-CA 3.3Å; E912-K986 WeakPolarHBondContact OE2-CE 3.48Å; E912-K986 IonicContact OE2-NZ 3.01Å; E912-K986 PolarHBondContact OE2-NZ 2.91Å; E912-V987 WeakPolarHBondContact O-CG2 3.27Å; E912-V987 PolarHBondContact O-N 2.84Å
913Y80.2Confident83.3Confident74 Ų7441.9 Ų41.929%0.2921%0.207SC..EExtended strand (participates in β ladder)trans-132.3133.9-174-66.6-106.3000111.1Q911 R984 V985 K986Q911-Y913 VanDerWaalsContact C-N 3.32Å; Y913-R984 PolarHBondContact O-NH2 3.33Å; Y913-V985 CarbonylContact C-O 3.49Å; Y913-V985 VanDerWaalsContact CA-O 3.3Å; Y913-V985 WeakPolarHBondContact CA-O 3.29Å; Y913-K986 HydrophobicContact CD1-CB 3.9Å; Y913-K986 HydrophobicContact CD1-CG 4.33Å; Y913-K986 HydrophobicContact CD2-CG 4.5Å; Y913-K986 HydrophobicContact CE1-CB 3.7Å; Y913-K986 HydrophobicContact CE1-CD 4.16Å; Y913-K986 HydrophobicContact CE1-CG 4Å; Y913-K986 HydrophobicContact CE2-CD 4.12Å; Y913-K986 HydrophobicContact CE2-CG 4.14Å; Y913-K986 PolarHBondContact OH-NZ 2.73Å
914S85.1Confident83.1Confident3 Ų341.9 Ų41.92%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-135141.1177.3-1790000112.7Y906 E916 V985Y906-S914 WeakPolarHBondContact O-CB 3.16Å; Y906-S914 PolarHBondContact O-OG 2.86Å; S914-E916 PolarHBondContact OG-N 3.08Å; S914-E916 PolarHBondContact OG-O 3.23Å; S914-V985 PolarHBondContact N-O 3.28Å; S914-V985 PolarHBondContact O-N 3.08Å
915D87.6Confident82.3Confident29 Ų2944.1 Ų44.116%0.15522%0.222CC..EExtended strand (participates in β ladder)trans-101.71.6167.549.4-37.8000112.5K980 L981 R984D915-K980 HydrophobicContact CB-CG 4.48Å; D915-K980 CarbonylContact O-C 3.56Å; D915-K980 VanDerWaalsContact O-CA 3.32Å; D915-K980 WeakPolarHBondContact O-CA 3.44Å; D915-K980 WeakPolarHBondContact OD2-CE 3.23Å; D915-K980 IonicContact OD2-NZ 3.07Å; D915-L981 HydrophobicContact CB-CB 4.41Å; D915-L981 PolarHBondContact O-N 3.34Å; D915-R984 HydrophobicContact CB-CG 3.96Å
916E88.4Confident81.4Confident4 Ų448.3 Ų48.32%0.01925%0.249CC..EExtended strand (participates in β ladder)trans-106.5113.8-172.8-67.9173.2-173.300111.5Y906 K908 S914 V978 Q1117Y906-E916 HydrophobicContact CD1-CB 4.23Å; Y906-E916 VanDerWaalsContact CD1-OE2 3.27Å; Y906-E916 WeakPolarHBondContact CD1-OE2 3.42Å; Y906-E916 WeakPolarHBondContact CE1-OE2 3.24Å; Y906-E916 PolarHBondContact N-O 3.49Å; K908-E916 WeakPolarHBondContact CE-OE1 3.5Å; K908-E916 WeakPolarHBondContact CE-OE2 3.42Å; K908-E916 IonicContact NZ-OE1 3.94Å; K908-E916 PolarHBondContact NZ-OE1 3.02Å; K908-E916 IonicContact NZ-OE2 2.74Å; K908-E916 PolarHBondContact NZ-OE2 2.97Å; S914-E916 PolarHBondContact OG-N 3.08Å; S914-E916 PolarHBondContact OG-O 3.23Å; E916-V978 HydrophobicContact CB-CG1 4.35Å; E916-Q1117 VanDerWaalsContact CD-NE2 3.26Å; E916-Q1117 PolarHBondContact OE1-NE2 3.15Å
917V89.8Confident80.3Confident0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-110.7128.2175.6171.70000110.3V887 L905 V934 V978 L979 L981V887-V917 HydrophobicContact CG1-CG1 3.75Å; V887-V917 HydrophobicContact CG1-CG2 4.19Å; L905-V917 HydrophobicContact CD1-CG2 3.86Å; V917-V934 HydrophobicContact CG2-CG1 4.42Å; V917-V978 CarbonylContact O-C 3.34Å; V917-V978 WeakPolarHBondContact O-CA 3.35Å; V917-L979 HydrophobicContact CB-CB 4.32Å; V917-L979 PolarHBondContact N-O 2.96Å; V917-L979 PolarHBondContact O-N 2.98Å; V917-L981 HydrophobicContact CG2-CD1 4.04Å; V917-L981 HydrophobicContact CG2-CD2 4.5Å; V917-L981 HydrophobicContact CG2-CG 4.34Å
918V89.3Confident79.5Confident4 Ų451.5 Ų51.52%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-100.8128.4-179.5176.90000109.9G903 T904 Y906 V978 I1077 L1108G903-V918 WeakPolarHBondContact CA-O 3.38Å; T904-V918 PolarHBondContact N-O 2.04Å; T904-V918 PolarHBondContact O-N 3.18Å; Y906-V918 HydrophobicContact CG-CG2 4.39Å; V918-V978 HydrophobicContact CG2-CG2 4.41Å; V918-I1077 HydrophobicContact CG1-CD1 3.57Å; V918-I1077 HydrophobicContact CG1-CG1 4.31Å; V918-L1108 HydrophobicContact CG1-CD2 4.43Å
919T91.2Very high78.8Confident0 Ų049.9 Ų49.90%029%0.285CS..EExtended strand (participates in β ladder)trans-146177.9175.1-1680000111.3I889 T902 V924 M976 T977 G1061 I1077I889-T919 HydrophobicContact CD1-CG2 3.68Å; T902-T919 PolarHBondContact O-OG1 3.43Å; T919-V924 HydrophobicContact CG2-CG2 4.24Å; T919-M976 WeakPolarHBondContact O-CA 3.36Å; T919-T977 PolarHBondContact N-O 3.24Å; T919-T977 PolarHBondContact O-N 2.76Å; T919-G1061 WeakPolarHBondContact OG1-CA 3.48Å; T919-I1077 WeakPolarHBondContact O-CD1 3.1Å
920A89.3Confident78.6Confident0 Ų043.4 Ų43.40%028%0.275CS..EExtended strand (participates in β ladder)trans-80.6143.1177.400000111.5R922 C923 V924 V1060 I1077A920-R922 PolarHBondContact O-N 3.48Å; A920-C923 PolarHBondContact O-N 2.91Å; A920-V924 PolarHBondContact O-N 3.27Å; A920-V1060 HydrophobicContact CB-CG1 4.08Å; A920-I1077 HydrophobicContact CB-CG2 4.04Å
921S85.8Confident79.3Confident5 Ų542.7 Ų42.74%0.03525%0.251CS..THydrogen-bonded Turntrans-61.9-27.6177.7-59.60000113.5C923 V924 T961 E973 G975 M976 T977S921-C923 PolarHBondContact O-N 2.94Å; S921-V924 CarbonylContact O-C 3.59Å; S921-V924 VanDerWaalsContact O-C 3.3Å; S921-V924 PolarHBondContact O-N 2.85Å; S921-T961 WeakPolarHBondContact OG-CG2 3.37Å; S921-E973 CarbonylContact C-O 3.3Å; S921-E973 WeakPolarHBondContact CB-O 3.25Å; S921-G975 PolarHBondContact N-O 2.82Å; S921-G975 VanDerWaalsContact N-O 3.1Å; S921-G975 VanDerWaalsContact OG-CA 3.24Å; S921-G975 WeakPolarHBondContact OG-CA 3.38Å; S921-G975 PolarHBondContact OG-O 2.84Å; S921-M976 WeakPolarHBondContact OG-CA 3.17Å; S921-M976 PolarHBondContact OG-N 2.88Å; S921-M976 VanDerWaalsContact OG-N 3.11Å; S921-M976 PolarHBondContact OG-O 3.4Å; S921-M976 VanDerWaalsContact OG-O 3.07Å; S921-T977 WeakPolarHBondContact CA-OG1 3.38Å; S921-T977 PolarHBondContact OG-OG1 3.12Å
922R84.8Confident80Confident77 Ų7738.9 Ų38.929%0.29123%0.232SC..THydrogen-bonded Turntrans-56.3-28.4170.1176.5169.6-62.6-64.8-9.6114.1A920 E973 V1060 D1079A920-R922 PolarHBondContact O-N 3.48Å; R922-E973 IonicContact CZ-OE2 3.29Å; R922-E973 PolarHBondContact N-O 2.94Å; R922-E973 IonicContact NH1-OE1 2.82Å; R922-E973 IonicContact NH1-OE2 3.86Å; R922-E973 PolarHBondContact NH1-OE2 3.28Å; R922-E973 IonicContact NH2-OE2 3.79Å; R922-E973 PolarHBondContact NH2-OE2 3.49Å; R922-V1060 HydrophobicContact CB-CG1 4.36Å; R922-V1060 HydrophobicContact CG-CG1 4.27Å; R922-D1079 WeakPolarHBondContact CD-O 3.3Å; R922-D1079 IonicContact CZ-OD2 3.72Å; R922-D1079 IonicContact NE-OD2 3.77Å; R922-D1079 PolarHBondContact NE-OD2 2.74Å; R922-D1079 IonicContact NH2-OD2 2.71Å
923C87.1Confident80.7Confident13 Ų1335.2 Ų35.29%0.08821%0.214CC..THydrogen-bonded Turntrans-86-50.8176.2173.90000112.3C901 A920 S921 P925 V1060C901-C923 HydrophobicContact CB-CB 3.54Å; C901-C923 WeakPolarHBondContact CB-SG 3.23Å; C901-C923 WeakPolarHBondContact SG-CB 3.29Å; C901-C923 CovalentContact SG-SG 2.01Å; C901-C923 PolarHBondContact SG-SG 3.31Å; A920-C923 PolarHBondContact O-N 2.91Å; S921-C923 PolarHBondContact O-N 2.94Å; C923-P925 WeakPolarHBondContact O-CD 3.11Å; C923-V1060 HydrophobicContact CB-CG1 4.04Å
924V85.9Confident81.2Confident0 Ų031.7 Ų31.70%020%0.2CC..SBendtrans-119.391.7-178-173.80000109.6I889 T919 A920 S921 Y932 I959 T961 T977 L979I889-V924 HydrophobicContact CD1-CG2 4.47Å; I889-V924 HydrophobicContact CG2-CG2 3.87Å; T919-V924 HydrophobicContact CG2-CG2 4.24Å; A920-V924 PolarHBondContact O-N 3.27Å; S921-V924 CarbonylContact O-C 3.59Å; S921-V924 VanDerWaalsContact O-C 3.3Å; S921-V924 PolarHBondContact O-N 2.85Å; V924-Y932 HydrophobicContact CG1-CD1 4.44Å; V924-Y932 HydrophobicContact CG1-CD2 3.8Å; V924-Y932 HydrophobicContact CG1-CE1 4.32Å; V924-Y932 HydrophobicContact CG1-CE2 3.64Å; V924-Y932 HydrophobicContact CG1-CG 4.2Å; V924-Y932 HydrophobicContact CG2-CD1 4.18Å; V924-Y932 HydrophobicContact CG2-CE1 4.2Å; V924-I959 HydrophobicContact CG1-CD1 3.82Å; V924-I959 HydrophobicContact CG1-CG1 4.49Å; V924-I959 HydrophobicContact CG1-CG2 3.91Å; V924-T961 PolarHBondContact O-OG1 2.94Å; V924-T977 HydrophobicContact CB-CG2 4.01Å; V924-T977 HydrophobicContact CG1-CG2 4.12Å; V924-T977 PolarHBondContact O-OG1 2.86Å; V924-L979 HydrophobicContact CB-CD2 4.12Å; V924-L979 HydrophobicContact CG1-CD2 3.72Å; V924-L979 HydrophobicContact CG2-CD1 4.39Å; V924-L979 HydrophobicContact CG2-CD2 4.2Å
925P73.1Confident81.3Confident47 Ų4733 Ų3331%0.30520%0.204SC..  trans-67.6158.6168.128.7-36.4000111.5C923 S927 Y932C923-P925 WeakPolarHBondContact O-CD 3.11Å; P925-S927 PolarHBondContact O-N 2.89Å; P925-S927 VanDerWaalsContact O-N 3.12Å; P925-Y932 WeakPolarHBondContact CD-OH 3.45Å
926P67.8Low81.1Confident89 Ų8932.8 Ų32.858%0.57820%0.204SC*.THydrogen-bonded Turntrans-67.4-14.2-174.325.4-33.8000114.7T961P926-T961 HydrophobicContact CG-CG2 4.44Å
927S64Low80.3Confident110 Ų11033.2 Ų33.277%0.76921%0.209SC*.THydrogen-bonded Turntrans-86.4-7.3-169.447.20000115.9P925P925-S927 PolarHBondContact O-N 2.89Å; P925-S927 VanDerWaalsContact O-N 3.12Å
928G61.7Low79.1Confident18 Ų1833.9 Ų33.919%0.18621%0.214CC..  trans-105.530.6-17300000116.1S930 N931 Y932G928-S930 VanDerWaalsContact C-N 3.26Å; G928-S930 PolarHBondContact O-N 3.42Å; G928-N931 PolarHBondContact O-N 2.83Å; G928-Y932 WeakPolarHBondContact O-CD2 3.35Å; G928-Y932 VanDerWaalsContact O-CE2 3.25Å; G928-Y932 WeakPolarHBondContact O-CE2 3.4Å
929G59.4Low78.2Confident46 Ų4637 Ų3747%0.47423%0.231SC..THydrogen-bonded Turntrans-42.9-33.9-165.100000118.9
930S64.3Low77.3Confident94 Ų9437.7 Ų37.766%0.65723%0.234SC*.THydrogen-bonded Turntrans-92-20.5-176.348.50000115.4G928G928-S930 VanDerWaalsContact C-N 3.26Å; G928-S930 PolarHBondContact O-N 3.42Å
931N83.2Confident76.3Confident72 Ų7239 Ų3939%0.38524%0.242SC..SBendtrans-100.4-2.5-159.5-67.415.3000114M891 I892 G928M891-N931 WeakPolarHBondContact CA-O 3.11Å; I892-N931 PolarHBondContact N-O 2.98Å; G928-N931 PolarHBondContact O-N 2.83Å
932Y88.6Confident75.4Confident11 Ų1144.6 Ų44.64%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-97.4141.9-178.7-60.3-75.8000112.6I889 F890 M891 L900 V924 P925 G928 I959I889-Y932 HydrophobicContact CG2-CD1 4.33Å; F890-Y932 WeakPolarHBondContact O-CA 3.44Å; M891-Y932 HydrophobicContact CE-CE1 3.92Å; L900-Y932 HydrophobicContact CD1-CD1 4.07Å; L900-Y932 HydrophobicContact CD1-CE1 3.6Å; V924-Y932 HydrophobicContact CG1-CD1 4.44Å; V924-Y932 HydrophobicContact CG1-CD2 3.8Å; V924-Y932 HydrophobicContact CG1-CE1 4.32Å; V924-Y932 HydrophobicContact CG1-CE2 3.64Å; V924-Y932 HydrophobicContact CG1-CG 4.2Å; V924-Y932 HydrophobicContact CG2-CD1 4.18Å; V924-Y932 HydrophobicContact CG2-CE1 4.2Å; P925-Y932 WeakPolarHBondContact CD-OH 3.45Å; G928-Y932 WeakPolarHBondContact O-CD2 3.35Å; G928-Y932 VanDerWaalsContact O-CE2 3.25Å; G928-Y932 WeakPolarHBondContact O-CE2 3.4Å; Y932-I959 HydrophobicContact CD2-CD1 3.63Å; Y932-I959 HydrophobicContact CE2-CD1 4.04Å
933R88.8Confident74.2Confident44 Ų4449.6 Ų49.617%0.16628%0.282CS..EExtended strand (participates in β ladder)trans-128157.2169.9-60.1-60.2-155.8-150.620.3110.4F890 I892 L953 I954 E955F890-R933 PolarHBondContact N-O 2.83Å; F890-R933 PolarHBondContact O-N 2.85Å; I892-R933 HydrophobicContact CD1-CG 3.51Å; I892-R933 HydrophobicContact CG1-CG 3.94Å; R933-L953 HydrophobicContact CB-CB 3.83Å; R933-L953 HydrophobicContact CB-CD1 4.05Å; R933-L953 HydrophobicContact CB-CD2 3.82Å; R933-L953 HydrophobicContact CB-CG 4.11Å; R933-L953 HydrophobicContact CG-CB 4.03Å; R933-L953 HydrophobicContact CG-CD1 4.2Å; R933-I954 WeakPolarHBondContact CA-O 3.41Å; R933-E955 IonicContact CZ-OE1 3.09Å; R933-E955 VanDerWaalsContact NH1-CD 3.33Å; R933-E955 IonicContact NH1-OE1 2.74Å; R933-E955 PolarHBondContact NH1-OE1 3.25Å; R933-E955 IonicContact NH2-OE1 2.7Å; R933-E955 PolarHBondContact NH2-OE1 3.49Å
934V89.7Confident73.2Confident0 Ų052.4 Ų52.40%029%0.294CS..EExtended strand (participates in β ladder)trans-121.1126.8174.3-172.60000110V887 I889 V917 V936 I954 V956 L979 L981V887-V934 HydrophobicContact CG1-CG1 3.53Å; I889-V934 HydrophobicContact CG1-CG2 4.24Å; V917-V934 HydrophobicContact CG2-CG1 4.42Å; V934-V936 HydrophobicContact CG1-CG2 3.97Å; V934-I954 PolarHBondContact N-O 2.65Å; V934-I954 WeakPolarHBondContact O-CB 3.36Å; V934-I954 PolarHBondContact O-N 2.6Å; V934-V956 HydrophobicContact CG2-CG2 4Å; V934-L979 HydrophobicContact CG2-CD1 3.78Å; V934-L981 HydrophobicContact CB-CD2 3.8Å; V934-L981 HydrophobicContact CG1-CD2 4.49Å; V934-L981 HydrophobicContact CG2-CD2 3.59Å
935Y88.1Confident72.3Confident30 Ų3054.6 Ų54.612%0.11831%0.313CS..EExtended strand (participates in β ladder)trans-92.8136164.1178.1-99.3000108.8V887 H888 L939 P941V887-Y935 WeakPolarHBondContact CA-O 3.33Å; H888-Y935 PolarHBondContact N-O 2.89Å; H888-Y935 PolarHBondContact O-N 2.88Å; Y935-L939 VanDerWaalsContact CE1-O 3.25Å; Y935-L939 WeakPolarHBondContact CE1-O 3.41Å; Y935-P941 HydrophobicContact CD1-CG 4.24Å; Y935-P941 HydrophobicContact CD2-CG 4.05Å; Y935-P941 HydrophobicContact CE1-CG 3.91Å; Y935-P941 HydrophobicContact CE2-CG 3.71Å; Y935-P941 HydrophobicContact CG-CG 4.3Å
936V82.3Confident72.1Confident25 Ų2556.5 Ų56.515%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-124.2108.1177.3-178.20000108.8V887 V934 I954 V985 V991V887-V936 HydrophobicContact CG1-CG2 4.41Å; V887-V936 HydrophobicContact CG2-CG1 4.38Å; V887-V936 HydrophobicContact CG2-CG2 4.47Å; V934-V936 HydrophobicContact CG1-CG2 3.97Å; V936-I954 HydrophobicContact CG2-CD1 4.14Å; V936-V985 HydrophobicContact CB-CG1 4.26Å; V936-V985 HydrophobicContact CG1-CG1 3.89Å; V936-V985 HydrophobicContact CG2-CG2 4.39Å; V936-V991 HydrophobicContact CG1-CB 4.31Å; V936-V991 HydrophobicContact CG1-CG1 3.62Å; V936-V991 HydrophobicContact CG1-CG2 3.91Å
937G72.5Confident71.9Confident12 Ų1256.4 Ų56.412%0.12432%0.318CS..SBendtrans172.1150-173.400000110.1G886 L939G886-G937 CarbonylContact C-O 3.59Å; G886-G937 VanDerWaalsContact C-O 3.24Å; G886-G937 WeakPolarHBondContact CA-O 3.16Å; G886-G937 PolarHBondContact O-N 3.45Å; G937-L939 VanDerWaalsContact C-N 3.33Å; G937-L939 PolarHBondContact O-N 3.46Å
938S64.2Low72.3Confident15 Ų1555.3 Ų55.311%0.10530%0.3CS..SBendtrans-80-6.1-170.847.90000115.7P1020S938-P1020 WeakPolarHBondContact O-CB 3.28Å; S938-P1020 VanDerWaalsContact O-CD 3.28Å; S938-P1020 WeakPolarHBondContact O-CD 3.38Å; S938-P1020 VanDerWaalsContact O-CG 3.27Å; S938-P1020 WeakPolarHBondContact O-CG 3.44Å
939L69.5Low72.9Confident70 Ų7055.3 Ų55.337%0.36630%0.296SS..SBendtrans-120135.8179-69.4163.8000108.8Y935 G937 P941 M1019Y935-L939 VanDerWaalsContact CE1-O 3.25Å; Y935-L939 WeakPolarHBondContact CE1-O 3.41Å; G937-L939 VanDerWaalsContact C-N 3.33Å; G937-L939 PolarHBondContact O-N 3.46Å; L939-P941 WeakPolarHBondContact O-CD 3.42Å; L939-M1019 HydrophobicContact CD2-CE 4.15Å; L939-M1019 HydrophobicContact CD2-SD 3.58Å; L939-M1019 VanDerWaalsContact CD2-SD 3.58Å
940L73Confident73.6Confident14 Ų1456.5 Ų56.57%0.07329%0.291CS..  trans-78.6119.3176.8-17568.2000110.1H888 F890 R942 V1014 G1018 Y1058H888-L940 HydrophobicContact CB-CD1 4.02Å; F890-L940 HydrophobicContact CE2-CD1 4.39Å; F890-L940 HydrophobicContact CZ-CD1 3.81Å; L940-R942 PolarHBondContact O-N 3.04Å; L940-V1014 HydrophobicContact CB-CG1 4.41Å; L940-V1014 HydrophobicContact CB-CG2 4.28Å; L940-V1014 HydrophobicContact CD2-CG2 4.23Å; L940-G1018 PolarHBondContact N-O 3.46Å; L940-Y1058 HydrophobicContact CD2-CD2 4.17Å; L940-Y1058 HydrophobicContact CD2-CE2 4.01Å
941P68.9Low74.3Confident27 Ų2761.5 Ų61.518%0.17530%0.296CS..  trans-65.2118.8-178.7-22.734.9000112Y935 L939 L949Y935-P941 HydrophobicContact CD1-CG 4.24Å; Y935-P941 HydrophobicContact CD2-CG 4.05Å; Y935-P941 HydrophobicContact CE1-CG 3.91Å; Y935-P941 HydrophobicContact CE2-CG 3.71Å; Y935-P941 HydrophobicContact CG-CG 4.3Å; L939-P941 WeakPolarHBondContact O-CD 3.42Å; P941-L949 HydrophobicContact CB-CD1 3.93Å; P941-L949 HydrophobicContact CG-CD1 4.08Å
942R67Low74Confident123 Ų12359.2 Ų59.246%0.46429%0.285SS..  trans-120.6-15.6-177.4-77.9176.2157.2-141-4115.4L940 Q1016 E1057L940-R942 PolarHBondContact O-N 3.04Å; R942-Q1016 PolarHBondContact NH1-O 3.29Å; R942-Q1016 VanDerWaalsContact NH2-C 3.26Å; R942-Q1016 PolarHBondContact NH2-O 3.17Å; R942-E1057 IonicContact CZ-OE1 2.66Å; R942-E1057 IonicContact CZ-OE2 3.77Å; R942-E1057 IonicContact NE-OE2 2.84Å; R942-E1057 IonicContact NH2-OE1 2.82Å; R942-E1057 PolarHBondContact NH2-OE1 2.66Å; R942-E1057 IonicContact NH2-OE2 3.96Å; R942-E1057 PolarHBondContact NH2-OE2 2.95Å
943R59.8Low73.8Confident181 Ų18159.2 Ų59.268%0.68329%0.285SS*.SBendtrans-13655.2-179.9-67.6-174.2-178.6156.92.1110.7S788S788-R943 PolarHBondContact O-NH1 2.74Å; S788-R943 PolarHBondContact OG-NH1 2.97Å; S788-R943 VanDerWaalsContact OG-NH1 3.07Å
944M64.9Low73.7Confident73 Ų7358.7 Ų58.736%0.3629%0.286SS..  trans-123.9139.6177.3-176.7171.2-81.100108.2Q948 L949 T952M944-Q948 HydrophobicContact CG-CB 3.55Å; M944-Q948 HydrophobicContact SD-CB 4.1Å; M944-L949 HydrophobicContact CG-CB 4.15Å; M944-L949 VanDerWaalsContact SD-CA 3.6Å; M944-L949 HydrophobicContact SD-CB 4.11Å; M944-L949 HydrophobicContact SD-CD1 4.32Å; M944-T952 HydrophobicContact CE-CG2 4.47Å; M944-T952 HydrophobicContact SD-CG2 4.05Å
945A66.5Low73.5Confident46 Ų4661.5 Ų61.538%0.3830%0.298SS..  trans-64.7151.1177.500000110.6D947 Q948 L949A945-D947 VanDerWaalsContact C-N 3.26Å; A945-D947 WeakPolarHBondContact CB-OD1 3.35Å; A945-D947 PolarHBondContact O-N 3.01Å; A945-Q948 HydrophobicContact CB-CB 4.41Å; A945-Q948 HydrophobicContact CB-CG 4.2Å; A945-Q948 PolarHBondContact O-N 3.35Å; A945-Q948 VanDerWaalsContact O-N 3.11Å; A945-L949 PolarHBondContact O-N 3.07Å
946V68.8Low73.5Confident87 Ų8760.6 Ų60.653%0.52730%0.296SS..Hα-helixtrans-62.4-35.7-170.8-178.60000111.8I897 N950I897-V946 HydrophobicContact CD1-CG1 3.75Å; I897-V946 HydrophobicContact CG1-CG1 4.13Å; V946-N950 VanDerWaalsContact O-CB 3.29Å; V946-N950 WeakPolarHBondContact O-CB 3.35Å; V946-N950 PolarHBondContact O-N 2.85Å
947D65Low73.6Confident87 Ų8761.7 Ų61.747%0.46531%0.312SS..Hα-helixtrans-67.5-43.7174.569.3-53.3000112.1A945 N950 R951A945-D947 VanDerWaalsContact C-N 3.26Å; A945-D947 WeakPolarHBondContact CB-OD1 3.35Å; A945-D947 PolarHBondContact O-N 3.01Å; D947-N950 PolarHBondContact O-N 2.87Å; D947-R951 WeakPolarHBondContact O-CG 3.3Å; D947-R951 PolarHBondContact O-N 3.11Å; D947-R951 VanDerWaalsContact O-N 3.14Å
948Q71.3Confident74.2Confident86 Ų8662.8 Ų62.840%0.40232%0.318SS..Hα-helixtrans-63.7-47.1176-68.3179.6-10.300110.9M944 A945 N950 R951 T952M944-Q948 HydrophobicContact CG-CB 3.55Å; M944-Q948 HydrophobicContact SD-CB 4.1Å; A945-Q948 HydrophobicContact CB-CB 4.41Å; A945-Q948 HydrophobicContact CB-CG 4.2Å; A945-Q948 PolarHBondContact O-N 3.35Å; A945-Q948 VanDerWaalsContact O-N 3.11Å; Q948-N950 VanDerWaalsContact C-N 3.32Å; Q948-N950 PolarHBondContact O-N 3.04Å; Q948-R951 WeakPolarHBondContact O-CB 3.46Å; Q948-R951 PolarHBondContact O-N 3.49Å; Q948-R951 VanDerWaalsContact O-N 3.07Å; Q948-T952 PolarHBondContact O-N 3.43Å
949L75.1Confident75.2Confident19 Ų1963.4 Ų63.410%0.09932%0.32CS..Hα-helixtrans-58.8-45.8177.3-179.258.7000110.6I897 P941 M944 A945 R951 T952 L953I897-L949 HydrophobicContact CB-CD2 4.46Å; I897-L949 HydrophobicContact CD1-CD2 4.26Å; I897-L949 HydrophobicContact CD1-CG 4.33Å; I897-L949 HydrophobicContact CG2-CD2 3.92Å; P941-L949 HydrophobicContact CB-CD1 3.93Å; P941-L949 HydrophobicContact CG-CD1 4.08Å; M944-L949 HydrophobicContact CG-CB 4.15Å; M944-L949 VanDerWaalsContact SD-CA 3.6Å; M944-L949 HydrophobicContact SD-CB 4.11Å; M944-L949 HydrophobicContact SD-CD1 4.32Å; A945-L949 PolarHBondContact O-N 3.07Å; L949-R951 PolarHBondContact O-N 3.1Å; L949-T952 PolarHBondContact O-N 2.82Å; L949-T952 PolarHBondContact O-OG1 2.94Å; L949-L953 HydrophobicContact CD1-CG 4.45Å; L949-L953 HydrophobicContact CG-CD1 4.16Å; L949-L953 HydrophobicContact CG-CG 4.45Å; L949-L953 WeakPolarHBondContact O-CG 3.15Å; L949-L953 PolarHBondContact O-N 3.29Å
950N75Confident75.7Confident70 Ų7063 Ų6337%0.37431%0.314SS..Hα-helixtrans-62.2-26.4177.6-166.641.6000113.6I897 V946 D947 Q948I897-N950 HydrophobicContact CD1-CB 4.11Å; V946-N950 VanDerWaalsContact O-CB 3.29Å; V946-N950 WeakPolarHBondContact O-CB 3.35Å; V946-N950 PolarHBondContact O-N 2.85Å; D947-N950 PolarHBondContact O-N 2.87Å; Q948-N950 VanDerWaalsContact C-N 3.32Å; Q948-N950 PolarHBondContact O-N 3.04Å
951R77.2Confident75.7Confident200 Ų20063.6 Ų63.676%0.75532%0.318SS*.Hα-helixtrans-74.2-26.7171.5-67.7173.3-170.2-158.24.6113.4D947 Q948 L949D947-R951 WeakPolarHBondContact O-CG 3.3Å; D947-R951 PolarHBondContact O-N 3.11Å; D947-R951 VanDerWaalsContact O-N 3.14Å; Q948-R951 WeakPolarHBondContact O-CB 3.46Å; Q948-R951 PolarHBondContact O-N 3.49Å; Q948-R951 VanDerWaalsContact O-N 3.07Å; L949-R951 PolarHBondContact O-N 3.1Å
952T77.8Confident75.6Confident24 Ų2463.8 Ų63.815%0.14732%0.319CS..Hα-helixtrans-85.4-10.317672.10000113.7M944 Q948 L949M944-T952 HydrophobicContact CE-CG2 4.47Å; M944-T952 HydrophobicContact SD-CG2 4.05Å; Q948-T952 PolarHBondContact O-N 3.43Å; L949-T952 PolarHBondContact O-N 2.82Å; L949-T952 PolarHBondContact O-OG1 2.94Å
953L83.6Confident75.3Confident10 Ų1059.2 Ų59.25%0.05231%0.305CS..  trans-89.9112.9-172-84.2179.2000112.1F890 I897 R933 L949F890-L953 HydrophobicContact CB-CD2 4.35Å; F890-L953 HydrophobicContact CD2-CD2 3.69Å; F890-L953 HydrophobicContact CE2-CD2 4.25Å; F890-L953 HydrophobicContact CG-CD2 4.16Å; I897-L953 HydrophobicContact CD1-CD1 4.13Å; I897-L953 HydrophobicContact CG2-CD1 3.89Å; R933-L953 HydrophobicContact CB-CB 3.83Å; R933-L953 HydrophobicContact CB-CD1 4.05Å; R933-L953 HydrophobicContact CB-CD2 3.82Å; R933-L953 HydrophobicContact CB-CG 4.11Å; R933-L953 HydrophobicContact CG-CB 4.03Å; R933-L953 HydrophobicContact CG-CD1 4.2Å; L949-L953 HydrophobicContact CD1-CG 4.45Å; L949-L953 HydrophobicContact CG-CD1 4.16Å; L949-L953 HydrophobicContact CG-CG 4.45Å; L949-L953 WeakPolarHBondContact O-CG 3.15Å; L949-L953 PolarHBondContact O-N 3.29Å
954I87.1Confident75.2Confident34 Ų3453.1 Ų53.117%0.17428%0.284CS..EExtended strand (participates in β ladder)trans-74.6132.5-177.9-53.2175.4000110R933 V934 V936 L981 H983 V985R933-I954 WeakPolarHBondContact CA-O 3.41Å; V934-I954 PolarHBondContact N-O 2.65Å; V934-I954 WeakPolarHBondContact O-CB 3.36Å; V934-I954 PolarHBondContact O-N 2.6Å; V936-I954 HydrophobicContact CG2-CD1 4.14Å; I954-L981 HydrophobicContact CD1-CD1 4.45Å; I954-L981 HydrophobicContact CG2-CB 4.01Å; I954-L981 HydrophobicContact CG2-CD1 4.24Å; I954-L981 HydrophobicContact CG2-CD2 4.17Å; I954-L981 HydrophobicContact CG2-CG 4.36Å; I954-H983 HydrophobicContact CG2-CB 4.43Å; I954-V985 HydrophobicContact CD1-CG2 3.38Å
955E86.6Confident74.7Confident58 Ų5850.7 Ų50.727%0.27127%0.271SS..EExtended strand (participates in β ladder)trans-68.8134.4176.2-53.9-147.7121.700111.9R933 K982R933-E955 IonicContact CZ-OE1 3.09Å; R933-E955 VanDerWaalsContact NH1-CD 3.33Å; R933-E955 IonicContact NH1-OE1 2.74Å; R933-E955 PolarHBondContact NH1-OE1 3.25Å; R933-E955 IonicContact NH2-OE1 2.7Å; R933-E955 PolarHBondContact NH2-OE1 3.49Å; E955-K982 HydrophobicContact CB-CB 4.3Å; E955-K982 HydrophobicContact CB-CD 3.8Å; E955-K982 HydrophobicContact CB-CG 3.97Å; E955-K982 PolarHBondContact O-N 3.34Å; E955-K982 VanDerWaalsContact OE2-CD 3.28Å; E955-K982 WeakPolarHBondContact OE2-CD 3.31Å; E955-K982 VanDerWaalsContact OE2-CE 3.25Å; E955-K982 WeakPolarHBondContact OE2-CE 3.32Å; E955-K982 IonicContact OE2-NZ 3.01Å; E955-K982 PolarHBondContact OE2-NZ 3.2Å
956V87.7Confident73.8Confident11 Ų1155.4 Ų55.47%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-75.8129.1163.8-178.30000108.6V934 S958 I959 L979V934-V956 HydrophobicContact CG2-CG2 4Å; V956-S958 WeakPolarHBondContact CG1-O 3.39Å; V956-I959 HydrophobicContact CG1-CG1 3.79Å; V956-L979 HydrophobicContact CG1-CB 4.28Å; V956-L979 HydrophobicContact CG1-CD2 4.45Å; V956-L979 HydrophobicContact CG2-CB 4.42Å; V956-L979 HydrophobicContact CG2-CD1 4.3Å
957G84.3Confident72.6Confident48 Ų4854.7 Ų54.750%0.49530%0.295SS..EExtended strand (participates in β ladder)trans-92.7-35.8175.900000113.1K980G957-K980 WeakPolarHBondContact CA-O 3.34Å; G957-K980 PolarHBondContact N-O 3.38Å
958S84.8Confident71.9Confident36 Ų3655.2 Ų55.225%0.25229%0.291SS..EExtended strand (participates in β ladder)trans-153.3153.6170.854.50000112.6V956 Y960 K980V956-S958 WeakPolarHBondContact CG1-O 3.39Å; S958-Y960 WeakPolarHBondContact OG-CE2 3.04Å; S958-Y960 VanDerWaalsContact OG-CZ 3.3Å; S958-Y960 PolarHBondContact OG-OH 2.69Å; S958-Y960 VanDerWaalsContact OG-OH 3.08Å; S958-K980 PolarHBondContact N-O 3.05Å; S958-K980 PolarHBondContact O-N 2.98Å; S958-K980 WeakPolarHBondContact OG-CB 3.34Å
959I85Confident70.8Confident27 Ų2757 Ų5714%0.13830%0.303CS..EExtended strand (participates in β ladder)trans-116.9122.4179.9-57.6-179.7000107.7V924 Y932 V956 T977 L979V924-I959 HydrophobicContact CG1-CD1 3.82Å; V924-I959 HydrophobicContact CG1-CG1 4.49Å; V924-I959 HydrophobicContact CG1-CG2 3.91Å; Y932-I959 HydrophobicContact CD2-CD1 3.63Å; Y932-I959 HydrophobicContact CE2-CD1 4.04Å; V956-I959 HydrophobicContact CG1-CG1 3.79Å; I959-T977 HydrophobicContact CG2-CG2 3.53Å; I959-L979 HydrophobicContact CG1-CD2 4.09Å; I959-L979 HydrophobicContact CG2-CD2 4.17Å
960Y80.9Confident69.7Low63 Ų6364.3 Ų64.325%0.24734%0.337CS..EExtended strand (participates in β ladder)trans-116.1100174.9-54.4-87.4000109.1S958 T977 V978 K980 V1116S958-Y960 WeakPolarHBondContact OG-CE2 3.04Å; S958-Y960 VanDerWaalsContact OG-CZ 3.3Å; S958-Y960 PolarHBondContact OG-OH 2.69Å; S958-Y960 VanDerWaalsContact OG-OH 3.08Å; Y960-T977 CarbonylContact O-C 3.58Å; Y960-T977 WeakPolarHBondContact O-CA 3.09Å; Y960-V978 PolarHBondContact N-O 3.03Å; Y960-V978 PolarHBondContact O-N 2.79Å; Y960-K980 HydrophobicContact CE2-CB 4Å; Y960-K980 HydrophobicContact CE2-CD 4.45Å; Y960-V1116 HydrophobicContact CG-CG1 4.44Å; Y960-V1116 WeakPolarHBondContact O-CG1 3.21Å
961T73.2Confident68.9Low25 Ų2562.2 Ų62.215%0.15333%0.326CS..EExtended strand (participates in β ladder)trans-104.9126.2-179.9-560000109.9S921 V924 P926 T977S921-T961 WeakPolarHBondContact OG-CG2 3.37Å; V924-T961 PolarHBondContact O-OG1 2.94Å; P926-T961 HydrophobicContact CG-CG2 4.44Å; T961-T977 WeakPolarHBondContact CB-OG1 3.49Å; T961-T977 VanDerWaalsContact CG2-OG1 3.28Å; T961-T977 WeakPolarHBondContact CG2-OG1 3.39Å; T961-T977 WeakPolarHBondContact OG1-CG2 3.46Å; T961-T977 PolarHBondContact OG1-OG1 2.84Å
962T65.8Low68.1Low32 Ų3257.4 Ų57.420%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-116.793.3167.858.90000109.4G975 M976 V1116T962-G975 WeakPolarHBondContact O-CA 3.18Å; T962-M976 PolarHBondContact N-O 2.63Å; T962-V1116 HydrophobicContact CG2-CB 4.35Å; T962-V1116 HydrophobicContact CG2-CG1 4.37Å; T962-V1116 HydrophobicContact CG2-CG2 3.78Å
963P60.6Low67.7Low27 Ų2761.1 Ų61.118%0.17533%0.326CS..EExtended strand (participates in β ladder)trans-69139167.133-33.9000108.5Y965 E966 K972P963-Y965 PolarHBondContact O-N 3.41Å; P963-E966 HydrophobicContact CG-CG 3.7Å; P963-K972 WeakPolarHBondContact CB-O 2.93Å
964F58.2Low67.2Low53 Ų5360.9 Ų60.923%0.23233%0.325CS..SBendtrans-72.9-16.4-173.6-69.1-68.9000113.7V974 M976 V1045 V1106F964-V974 WeakPolarHBondContact CD2-O 3.43Å; F964-V974 PolarHBondContact N-O 3.34Å; F964-M976 HydrophobicContact CE1-CE 4.12Å; F964-M976 HydrophobicContact CZ-CE 3.64Å; F964-V1045 HydrophobicContact CD1-CG1 4.22Å; F964-V1045 HydrophobicContact CD2-CB 4.4Å; F964-V1045 HydrophobicContact CG-CB 4.49Å; F964-V1045 HydrophobicContact CG-CG1 4.28Å; F964-V1106 HydrophobicContact CE2-CG1 3.75Å; F964-V1106 HydrophobicContact CE2-CG2 4.47Å; F964-V1106 HydrophobicContact CZ-CG1 4.21Å
965Y53.5Low66.7Low21 Ų2159.2 Ų59.28%0.08232%0.317CS..  trans-149.274.7-172.4-48.4-82.7000113P467 P963 G967 Y968 L971 L1042 V1045P467-Y965 HydrophobicContact CB-CE1 3.93Å; P467-Y965 VanDerWaalsContact CB-OH 3.27Å; P467-Y965 WeakPolarHBondContact CB-OH 3.26Å; P467-Y965 HydrophobicContact CG-CE1 4.35Å; P963-Y965 PolarHBondContact O-N 3.41Å; Y965-G967 PolarHBondContact O-N 3Å; Y965-G967 VanDerWaalsContact O-N 3.11Å; Y965-Y968 PolarHBondContact O-N 3.07Å; Y965-Y968 VanDerWaalsContact O-N 3.14Å; Y965-L971 HydrophobicContact CD2-CB 3.82Å; Y965-L971 HydrophobicContact CD2-CD1 3.92Å; Y965-L971 HydrophobicContact CD2-CG 4.4Å; Y965-L971 HydrophobicContact CE2-CD1 4.4Å; Y965-L971 HydrophobicContact CG-CB 4.21Å; Y965-L971 HydrophobicContact CG-CD1 4.12Å; Y965-L1042 HydrophobicContact CD2-CD1 4.19Å; Y965-L1042 HydrophobicContact CE2-CD1 3.4Å; Y965-V1045 HydrophobicContact CE2-CG2 3.96Å; Y965-V1045 VanDerWaalsContact OH-CG2 3.23Å; Y965-V1045 WeakPolarHBondContact OH-CG2 2.94Å
966E48.4Very low66.5Low146 Ų14656.7 Ų56.768%0.68231%0.305SS*.THydrogen-bonded Turntrans-57.3-26.5174-63.6-171.6145.200113.3P963 Y968 K972P963-E966 HydrophobicContact CG-CG 3.7Å; E966-Y968 VanDerWaalsContact C-N 3.32Å; E966-Y968 PolarHBondContact O-N 2.78Å; E966-K972 WeakPolarHBondContact O-CE 3.27Å
967G43.5Very low66.4Low71 Ų7156.2 Ų56.273%0.73230%0.302SS*.THydrogen-bonded Turntrans-80.66.6177.700000116.6Y965Y965-G967 PolarHBondContact O-N 3Å; Y965-G967 VanDerWaalsContact O-N 3.11Å
968Y49.9Very low66.6Low98 Ų9854 Ų5438%0.38428%0.278SS..  trans-139.3108.1-176.1-75.5-93.3000111.8F468 Y965 E966 E970 L971 K972F468-Y968 HydrophobicContact CD1-CE2 4.43Å; F468-Y968 HydrophobicContact CE1-CE2 4.23Å; F468-Y968 WeakPolarHBondContact CE1-OH 3.44Å; Y965-Y968 PolarHBondContact O-N 3.07Å; Y965-Y968 VanDerWaalsContact O-N 3.14Å; E966-Y968 VanDerWaalsContact C-N 3.32Å; E966-Y968 PolarHBondContact O-N 2.78Å; Y968-E970 PolarHBondContact O-N 3.3Å; Y968-L971 HydrophobicContact CG-CD1 4.45Å; Y968-L971 CarbonylContact O-C 3.52Å; Y968-L971 WeakPolarHBondContact O-CA 3.44Å; Y968-L971 PolarHBondContact O-N 3.07Å; Y968-K972 PolarHBondContact O-N 3.42Å
969D49.2Very low66.8Low123 Ų12352.2 Ų52.266%0.65827%0.266SS*.G310 helixtrans-54.9-45.2-171-64.1-61.1000114.5L971 K972D969-L971 PolarHBondContact O-N 3.23Å; D969-K972 PolarHBondContact O-N 2.99Å; D969-K972 WeakPolarHBondContact OD1-CE 3.41Å; D969-K972 IonicContact OD1-NZ 3.26Å; D969-K972 PolarHBondContact OD1-NZ 3.15Å
970E52.1Low67Low173 Ų17354.6 Ų54.681%0.80828%0.276SS*.G310 helixtrans-63.9-10.9177.6-58.3-172.9164.200114.2Y968Y968-E970 PolarHBondContact O-N 3.3Å
971L58.6Low67.4Low27 Ų2752 Ų5214%0.14127%0.266CS..G310 helixtrans-123.1-6.5-173.3-61.9174.8000113.7Y965 Y968 D969 E973 V974 L1042Y965-L971 HydrophobicContact CD2-CB 3.82Å; Y965-L971 HydrophobicContact CD2-CD1 3.92Å; Y965-L971 HydrophobicContact CD2-CG 4.4Å; Y965-L971 HydrophobicContact CE2-CD1 4.4Å; Y965-L971 HydrophobicContact CG-CB 4.21Å; Y965-L971 HydrophobicContact CG-CD1 4.12Å; Y968-L971 HydrophobicContact CG-CD1 4.45Å; Y968-L971 CarbonylContact O-C 3.52Å; Y968-L971 WeakPolarHBondContact O-CA 3.44Å; Y968-L971 PolarHBondContact O-N 3.07Å; D969-L971 PolarHBondContact O-N 3.23Å; L971-E973 PolarHBondContact O-N 3.19Å; L971-V974 PolarHBondContact O-N 3.08Å; L971-L1042 HydrophobicContact CD1-CD1 3.78Å; L971-L1042 HydrophobicContact CD2-CD1 3.76Å; L971-L1042 HydrophobicContact CG-CD1 4.4Å
972K60.1Low68Low99 Ų9956.4 Ų56.443%0.4328%0.283SS..THydrogen-bonded Turntrans-56.9-28.6177.3-80.7177.3179.21680113.5P963 E966 Y968 D969P963-K972 WeakPolarHBondContact CB-O 2.93Å; E966-K972 WeakPolarHBondContact O-CE 3.27Å; Y968-K972 PolarHBondContact O-N 3.42Å; D969-K972 PolarHBondContact O-N 2.99Å; D969-K972 WeakPolarHBondContact OD1-CE 3.41Å; D969-K972 IonicContact OD1-NZ 3.26Å; D969-K972 PolarHBondContact OD1-NZ 3.15Å
973E67.9Low68.8Low102 Ų10257.9 Ų57.948%0.47729%0.287SS..THydrogen-bonded Turntrans-83.9-16180-58.4178.7133.900113.3S921 R922 L971S921-E973 CarbonylContact C-O 3.3Å; S921-E973 WeakPolarHBondContact CB-O 3.25Å; R922-E973 IonicContact CZ-OE2 3.29Å; R922-E973 PolarHBondContact N-O 2.94Å; R922-E973 IonicContact NH1-OE1 2.82Å; R922-E973 IonicContact NH1-OE2 3.86Å; R922-E973 PolarHBondContact NH1-OE2 3.28Å; R922-E973 IonicContact NH2-OE2 3.79Å; R922-E973 PolarHBondContact NH2-OE2 3.49Å; L971-E973 PolarHBondContact O-N 3.19Å
974V73.3Confident69.9Low4 Ų462.3 Ų62.32%0.02430%0.301CS..  trans-90.2113.1-174.6-176.30000110.1F964 L971 M1046 V1106F964-V974 WeakPolarHBondContact CD2-O 3.43Å; F964-V974 PolarHBondContact N-O 3.34Å; L971-V974 PolarHBondContact O-N 3.08Å; V974-M1046 HydrophobicContact CG1-CE 3.84Å; V974-M1046 HydrophobicContact CG2-CE 4.23Å; V974-V1106 HydrophobicContact CG1-CG2 3.74Å
975G77.5Confident70.8Confident0 Ų060.1 Ų60.10%029%0.292CS..EExtended strand (participates in β ladder)trans-176.3-171.9-175.900000112.2S921 T962S921-G975 PolarHBondContact N-O 2.82Å; S921-G975 VanDerWaalsContact N-O 3.1Å; S921-G975 VanDerWaalsContact OG-CA 3.24Å; S921-G975 WeakPolarHBondContact OG-CA 3.38Å; S921-G975 PolarHBondContact OG-O 2.84Å; T962-G975 WeakPolarHBondContact O-CA 3.18Å
976M82.8Confident71.9Confident5 Ų562.3 Ų62.33%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-113.6147.2161.782.4-152.185.100110.1T919 S921 T962 F964 I1077 L1108 N1112 V1116T919-M976 WeakPolarHBondContact O-CA 3.36Å; S921-M976 WeakPolarHBondContact OG-CA 3.17Å; S921-M976 PolarHBondContact OG-N 2.88Å; S921-M976 VanDerWaalsContact OG-N 3.11Å; S921-M976 PolarHBondContact OG-O 3.4Å; S921-M976 VanDerWaalsContact OG-O 3.07Å; T962-M976 PolarHBondContact N-O 2.63Å; F964-M976 HydrophobicContact CE1-CE 4.12Å; F964-M976 HydrophobicContact CZ-CE 3.64Å; M976-I1077 HydrophobicContact CB-CD1 3.8Å; M976-L1108 HydrophobicContact SD-CD2 3.84Å; M976-N1112 HydrophobicContact CE-CB 3.99Å; M976-N1112 HydrophobicContact SD-CB 3.65Å; M976-V1116 HydrophobicContact CG-CG2 4.25Å; M976-V1116 HydrophobicContact SD-CG2 4.24Å
977T86.1Confident73Confident0 Ų057.4 Ų57.40%028%0.282CS..EExtended strand (participates in β ladder)trans-115.2129.2166.6-66.50000108.2T919 S921 V924 I959 Y960 T961 L979T919-T977 PolarHBondContact N-O 3.24Å; T919-T977 PolarHBondContact O-N 2.76Å; S921-T977 WeakPolarHBondContact CA-OG1 3.38Å; S921-T977 PolarHBondContact OG-OG1 3.12Å; V924-T977 HydrophobicContact CB-CG2 4.01Å; V924-T977 HydrophobicContact CG1-CG2 4.12Å; V924-T977 PolarHBondContact O-OG1 2.86Å; I959-T977 HydrophobicContact CG2-CG2 3.53Å; Y960-T977 CarbonylContact O-C 3.58Å; Y960-T977 WeakPolarHBondContact O-CA 3.09Å; T961-T977 WeakPolarHBondContact CB-OG1 3.49Å; T961-T977 VanDerWaalsContact CG2-OG1 3.28Å; T961-T977 WeakPolarHBondContact CG2-OG1 3.39Å; T961-T977 WeakPolarHBondContact OG1-CG2 3.46Å; T961-T977 PolarHBondContact OG1-OG1 2.84Å; T977-L979 HydrophobicContact CG2-CD2 3.64Å; T977-L979 HydrophobicContact CG2-CG 4.45Å
978V87.9Confident73.9Confident1 Ų157.2 Ų57.21%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-99.5116.1167.3-1780000107.3E916 V917 V918 Y960 V1116E916-V978 HydrophobicContact CB-CG1 4.35Å; V917-V978 CarbonylContact O-C 3.34Å; V917-V978 WeakPolarHBondContact O-CA 3.35Å; V918-V978 HydrophobicContact CG2-CG2 4.41Å; Y960-V978 PolarHBondContact N-O 3.03Å; Y960-V978 PolarHBondContact O-N 2.79Å; V978-V1116 HydrophobicContact CB-CG1 4.06Å; V978-V1116 HydrophobicContact CG2-CB 4.32Å; V978-V1116 HydrophobicContact CG2-CG1 3.81Å
979L89.2Confident73.9Confident0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-87.6127.8169.7-49.5178.6000107.7I889 V917 V924 V934 V956 I959 T977I889-L979 HydrophobicContact CD1-CD1 3.7Å; I889-L979 HydrophobicContact CG1-CD1 3.99Å; I889-L979 HydrophobicContact CG2-CD1 4.47Å; V917-L979 HydrophobicContact CB-CB 4.32Å; V917-L979 PolarHBondContact N-O 2.96Å; V917-L979 PolarHBondContact O-N 2.98Å; V924-L979 HydrophobicContact CB-CD2 4.12Å; V924-L979 HydrophobicContact CG1-CD2 3.72Å; V924-L979 HydrophobicContact CG2-CD1 4.39Å; V924-L979 HydrophobicContact CG2-CD2 4.2Å; V934-L979 HydrophobicContact CG2-CD1 3.78Å; V956-L979 HydrophobicContact CG1-CB 4.28Å; V956-L979 HydrophobicContact CG1-CD2 4.45Å; V956-L979 HydrophobicContact CG2-CB 4.42Å; V956-L979 HydrophobicContact CG2-CD1 4.3Å; I959-L979 HydrophobicContact CG1-CD2 4.09Å; I959-L979 HydrophobicContact CG2-CD2 4.17Å; T977-L979 HydrophobicContact CG2-CD2 3.64Å; T977-L979 HydrophobicContact CG2-CG 4.45Å
980K88.7Confident74Confident77 Ų7750.8 Ų50.834%0.33524%0.244SC..EExtended strand (participates in β ladder)trans-97.9117.2167.1-166.3176.9-171.3-179.30108.7D915 G957 S958 Y960D915-K980 HydrophobicContact CB-CG 4.48Å; D915-K980 CarbonylContact O-C 3.56Å; D915-K980 VanDerWaalsContact O-CA 3.32Å; D915-K980 WeakPolarHBondContact O-CA 3.44Å; D915-K980 WeakPolarHBondContact OD2-CE 3.23Å; D915-K980 IonicContact OD2-NZ 3.07Å; G957-K980 WeakPolarHBondContact CA-O 3.34Å; G957-K980 PolarHBondContact N-O 3.38Å; S958-K980 PolarHBondContact N-O 3.05Å; S958-K980 PolarHBondContact O-N 2.98Å; S958-K980 WeakPolarHBondContact OG-CB 3.34Å; Y960-K980 HydrophobicContact CE2-CB 4Å; Y960-K980 HydrophobicContact CE2-CD 4.45Å
981L88.6Confident74.5Confident7 Ų742.8 Ų42.84%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-73.7151177.9-56.2179.6000110.3D915 V917 V934 I954 H983 V985D915-L981 HydrophobicContact CB-CB 4.41Å; D915-L981 PolarHBondContact O-N 3.34Å; V917-L981 HydrophobicContact CG2-CD1 4.04Å; V917-L981 HydrophobicContact CG2-CD2 4.5Å; V917-L981 HydrophobicContact CG2-CG 4.34Å; V934-L981 HydrophobicContact CB-CD2 3.8Å; V934-L981 HydrophobicContact CG1-CD2 4.49Å; V934-L981 HydrophobicContact CG2-CD2 3.59Å; I954-L981 HydrophobicContact CD1-CD1 4.45Å; I954-L981 HydrophobicContact CG2-CB 4.01Å; I954-L981 HydrophobicContact CG2-CD1 4.24Å; I954-L981 HydrophobicContact CG2-CD2 4.17Å; I954-L981 HydrophobicContact CG2-CG 4.36Å; L981-H983 VanDerWaalsContact CB-O 3.28Å; L981-H983 WeakPolarHBondContact CB-O 3.47Å; L981-H983 PolarHBondContact O-N 3.09Å; L981-V985 HydrophobicContact CD1-CG2 3.76Å
982K85.9Confident74.9Confident119 Ų11945.3 Ų45.352%0.51722%0.218SC..EExtended strand (participates in β ladder)trans-71.4-21.8172.1-66-165.5-170.5173.30113.1E955E955-K982 HydrophobicContact CB-CB 4.3Å; E955-K982 HydrophobicContact CB-CD 3.8Å; E955-K982 HydrophobicContact CB-CG 3.97Å; E955-K982 PolarHBondContact O-N 3.34Å; E955-K982 VanDerWaalsContact OE2-CD 3.28Å; E955-K982 WeakPolarHBondContact OE2-CD 3.31Å; E955-K982 VanDerWaalsContact OE2-CE 3.25Å; E955-K982 WeakPolarHBondContact OE2-CE 3.32Å; E955-K982 IonicContact OE2-NZ 3.01Å; E955-K982 PolarHBondContact OE2-NZ 3.2Å
983H83.4Confident75.8Confident62 Ų6242 Ų4229%0.28721%0.208SC..EExtended strand (participates in β ladder)trans-124.6140.8178.9-56-74000109.9I954 L981I954-H983 HydrophobicContact CG2-CB 4.43Å; L981-H983 VanDerWaalsContact CB-O 3.28Å; L981-H983 WeakPolarHBondContact CB-O 3.47Å; L981-H983 PolarHBondContact O-N 3.09Å
984R82.4Confident76.5Confident120 Ų12037.7 Ų37.745%0.45319%0.188SC..EExtended strand (participates in β ladder)trans-80.2134.5176.5-60.5178.971.7-156.50109.5Y913 D915Y913-R984 PolarHBondContact O-NH2 3.33Å; D915-R984 HydrophobicContact CB-CG 3.96Å
985V78.8Confident76.8Confident7 Ų741 Ų414%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-105.2138.6-179.8-168.10000109.9L905 Y913 S914 V936 I954 L981L905-V985 HydrophobicContact CD2-CB 4.5Å; Y913-V985 CarbonylContact C-O 3.49Å; Y913-V985 VanDerWaalsContact CA-O 3.3Å; Y913-V985 WeakPolarHBondContact CA-O 3.29Å; S914-V985 PolarHBondContact N-O 3.28Å; S914-V985 PolarHBondContact O-N 3.08Å; V936-V985 HydrophobicContact CB-CG1 4.26Å; V936-V985 HydrophobicContact CG1-CG1 3.89Å; V936-V985 HydrophobicContact CG2-CG2 4.39Å; I954-V985 HydrophobicContact CD1-CG2 3.38Å; L981-V985 HydrophobicContact CD1-CG2 3.76Å
986K75.8Confident77.1Confident67 Ų6742 Ų4229%0.29121%0.214SC..EExtended strand (participates in β ladder)trans-72.8135.4175.2-165169.2-170.2140.80110.6E912 Y913 I988E912-K986 CarbonylContact O-C 3.43Å; E912-K986 WeakPolarHBondContact O-CA 3.3Å; E912-K986 WeakPolarHBondContact OE2-CE 3.48Å; E912-K986 IonicContact OE2-NZ 3.01Å; E912-K986 PolarHBondContact OE2-NZ 2.91Å; Y913-K986 HydrophobicContact CD1-CB 3.9Å; Y913-K986 HydrophobicContact CD1-CG 4.33Å; Y913-K986 HydrophobicContact CD2-CG 4.5Å; Y913-K986 HydrophobicContact CE1-CB 3.7Å; Y913-K986 HydrophobicContact CE1-CD 4.16Å; Y913-K986 HydrophobicContact CE1-CG 4Å; Y913-K986 HydrophobicContact CE2-CD 4.12Å; Y913-K986 HydrophobicContact CE2-CG 4.14Å; Y913-K986 PolarHBondContact OH-NZ 2.73Å; K986-I988 VanDerWaalsContact C-N 3.25Å; K986-I988 HydrophobicContact CB-CG2 4.07Å; K986-I988 HydrophobicContact CD-CG2 4.32Å; K986-I988 HydrophobicContact CG-CG2 4.04Å; K986-I988 PolarHBondContact O-N 2.86Å
987V72Confident76.8Confident44 Ų4441.9 Ų41.927%0.26721%0.214SC..  trans-78.277.6175.2-1710000108.6L905 A907 E912L905-V987 HydrophobicContact CD2-CG2 3.97Å; A907-V987 HydrophobicContact CB-CG2 3.82Å; E912-V987 WeakPolarHBondContact O-CG2 3.27Å; E912-V987 PolarHBondContact O-N 2.84Å
988I62.7Low75.9Confident66 Ų6646.8 Ų46.834%0.33823%0.233SC..  trans-81.7160.7179.459170.3000112.2K986 G990 V991K986-I988 VanDerWaalsContact C-N 3.25Å; K986-I988 HydrophobicContact CB-CG2 4.07Å; K986-I988 HydrophobicContact CD-CG2 4.32Å; K986-I988 HydrophobicContact CG-CG2 4.04Å; K986-I988 PolarHBondContact O-N 2.86Å; I988-G990 PolarHBondContact O-N 3.47Å; I988-V991 HydrophobicContact CG1-CB 4.41Å; I988-V991 HydrophobicContact CG1-CG2 4.33Å; I988-V991 CarbonylContact O-C 3.24Å; I988-V991 PolarHBondContact O-N 2.98Å
989S49.4Very low74.6Confident72 Ų7249.5 Ų49.550%0.50325%0.252SS..THydrogen-bonded Turntrans-57.7138.3166.1-59.30000109A818A818-S989 WeakPolarHBondContact CB-O 3.42Å; A818-S989 WeakPolarHBondContact O-CB 3.33Å
990G50.8Low73Confident14 Ų1449.8 Ų49.814%0.14426%0.256CS..THydrogen-bonded Turntrans96.6-26.9-168.500000114.5I988I988-G990 PolarHBondContact O-N 3.47Å
991V63.4Low71.9Confident5 Ų547 Ų473%0.0325%0.245CC..BIsolated β-bridgetrans-123.677.7175.5-174.80000109.4V887 L905 V936 I988V887-V991 HydrophobicContact CG2-CG1 4.04Å; L905-V991 HydrophobicContact CD2-CG1 4.38Å; V936-V991 HydrophobicContact CG1-CB 4.31Å; V936-V991 HydrophobicContact CG1-CG1 3.62Å; V936-V991 HydrophobicContact CG1-CG2 3.91Å; I988-V991 HydrophobicContact CG1-CB 4.41Å; I988-V991 HydrophobicContact CG1-CG2 4.33Å; I988-V991 CarbonylContact O-C 3.24Å; I988-V991 PolarHBondContact O-N 2.98Å
992Q66.4Low71.1Confident80 Ų8046.9 Ų46.937%0.37425%0.246SC..  trans-77129-175.5-69.6-173.4-8.100112.3F994Q992-F994 HydrophobicContact CB-CE1 4.41Å; Q992-F994 HydrophobicContact CB-CE2 3.72Å; Q992-F994 HydrophobicContact CB-CZ 3.66Å; Q992-F994 WeakPolarHBondContact O-CD2 3.37Å; Q992-F994 WeakPolarHBondContact O-CE2 3.43Å
993S78Confident70.9Confident31 Ų3141.5 Ų41.522%0.21722%0.224CC..  trans-89.1136.1164.5-168.80000110.5L905 A907L905-S993 WeakPolarHBondContact O-CA 3.44Å; L905-S993 WeakPolarHBondContact O-CB 3.45Å; L905-S993 PolarHBondContact O-OG 3.22Å; A907-S993 PolarHBondContact N-OG 2.86Å
994F82.7Confident70.7Confident11 Ų1140.7 Ų40.75%0.04823%0.225CC..  trans-113.7139-177.3-65-83.7000111.5P882 T904 Q992 L1065 W1072 Q1074P882-F994 HydrophobicContact CB-CE1 4.08Å; P882-F994 HydrophobicContact CB-CZ 4.16Å; T904-F994 HydrophobicContact CG2-CD2 4.2Å; Q992-F994 HydrophobicContact CB-CE1 4.41Å; Q992-F994 HydrophobicContact CB-CE2 3.72Å; Q992-F994 HydrophobicContact CB-CZ 3.66Å; Q992-F994 WeakPolarHBondContact O-CD2 3.37Å; Q992-F994 WeakPolarHBondContact O-CE2 3.43Å; F994-L1065 HydrophobicContact CB-CD2 3.83Å; F994-L1065 HydrophobicContact CD1-CD1 4.25Å; F994-L1065 HydrophobicContact CD1-CD2 3.74Å; F994-L1065 HydrophobicContact CD2-CD1 4.11Å; F994-L1065 HydrophobicContact CD2-CD2 3.58Å; F994-L1065 HydrophobicContact CD2-CG 4.5Å; F994-L1065 HydrophobicContact CE1-CD1 3.81Å; F994-L1065 HydrophobicContact CE1-CD2 4.18Å; F994-L1065 HydrophobicContact CE2-CD1 3.66Å; F994-L1065 HydrophobicContact CE2-CD2 4.03Å; F994-L1065 HydrophobicContact CG-CD1 4.39Å; F994-L1065 HydrophobicContact CG-CD2 3.41Å; F994-L1065 VanDerWaalsContact CG-CD2 3.41Å; F994-L1065 HydrophobicContact CZ-CD1 3.49Å; F994-L1065 VanDerWaalsContact CZ-CD1 3.49Å; F994-L1065 HydrophobicContact CZ-CD2 4.31Å; F994-W1072 HydrophobicContact CD1-CB 4.08Å; F994-W1072 HydrophobicContact CE1-CB 4.13Å; F994-Q1074 HydrophobicContact CB-CB 3.93Å
995P81.5Confident70.6Confident74 Ų7436.8 Ų36.848%0.48122%0.216SC..PPolyproline II helixtrans-67.8138.9179.328.2-34.6000111.2W1072 V1073 Q1074P995-W1072 WeakPolarHBondContact CD-O 3.45Å; P995-W1072 WeakPolarHBondContact CG-O 3.22Å; P995-V1073 HydrophobicContact CG-CG2 4.34Å; P995-V1073 WeakPolarHBondContact O-CG1 3.19Å; P995-Q1074 PolarHBondContact O-N 3.21Å
996L83Confident70.5Confident20 Ų2045.2 Ų45.211%0.10525%0.247CC..PPolyproline II helixtrans-76.1148.3171.1-58.9-174.1000111.2Y906 Q1074 L1108 A1113Y906-L996 HydrophobicContact CD2-CD1 3.94Å; Y906-L996 HydrophobicContact CD2-CG 3.96Å; Y906-L996 HydrophobicContact CE2-CD1 3.6Å; Y906-L996 HydrophobicContact CE2-CG 3.73Å; L996-Q1074 HydrophobicContact CD2-CB 4.34Å; L996-L1108 HydrophobicContact CD2-CB 4.18Å; L996-L1108 HydrophobicContact CD2-CD1 3.7Å; L996-L1108 HydrophobicContact CD2-CG 4.44Å; L996-A1113 HydrophobicContact CD1-CB 4.37Å
997P76.1Confident70.9Confident3 Ų344.1 Ų44.12%0.01924%0.243CC..PPolyproline II helixtrans-69.1147.2178.829.2-37000112T1001 V1073 Q1074 F1075 L1108 E1109 G1110P997-T1001 WeakPolarHBondContact CB-OG1 3.37Å; P997-V1073 HydrophobicContact CB-CG1 3.98Å; P997-Q1074 WeakPolarHBondContact CD-O 3.43Å; P997-F1075 HydrophobicContact CB-CD1 3.77Å; P997-F1075 HydrophobicContact CB-CE1 3.63Å; P997-F1075 HydrophobicContact CB-CZ 4.33Å; P997-F1075 HydrophobicContact CG-CD1 3.84Å; P997-F1075 HydrophobicContact CG-CE1 4.25Å; P997-F1075 HydrophobicContact CG-CG 4.42Å; P997-L1108 WeakPolarHBondContact CG-O 3.27Å; P997-E1109 CarbonylContact O-C 3.44Å; P997-G1110 PolarHBondContact O-N 3.47Å
998Y66.7Low71.6Confident102 Ų10247.1 Ų47.140%0.425%0.254SS..PPolyproline II helixtrans-65.4150177.9-65-97.7000111.1I548 N549 G1000 T1001I548-Y998 HydrophobicContact CG2-CD2 3.8Å; I548-Y998 HydrophobicContact CG2-CE2 4.13Å; I548-Y998 HydrophobicContact CG2-CG 4.14Å; N549-Y998 PolarHBondContact ND2-OH 3.02Å; N549-Y998 VanDerWaalsContact ND2-OH 3.1Å; Y998-G1000 PolarHBondContact O-N 3.02Å; Y998-T1001 PolarHBondContact N-OG1 3.44Å; Y998-T1001 VanDerWaalsContact N-OG1 3.13Å; Y998-T1001 WeakPolarHBondContact O-CB 3.43Å; Y998-T1001 PolarHBondContact O-N 3.12Å; Y998-T1001 PolarHBondContact O-OG1 3.26Å
999S61.1Low72.9Confident58 Ų5844 Ų4441%0.40624%0.239SC..THydrogen-bonded Turntrans-54.8131.7-179.4-59.80000112.5T1001 E1109S999-T1001 VanDerWaalsContact C-N 3.29Å; S999-T1001 PolarHBondContact O-N 2.76Å; S999-E1109 WeakPolarHBondContact CA-OE2 3.36Å
1000G54.9Low74.9Confident7 Ų741.8 Ų41.87%0.07222%0.219CC..THydrogen-bonded Turntrans72.710.4-173.400000116Y998 E1109Y998-G1000 PolarHBondContact O-N 3.02Å; G1000-E1109 PolarHBondContact N-OE2 3.41Å; G1000-E1109 VanDerWaalsContact N-OE2 3.15Å
1001T66.5Low76.8Confident17 Ų1741.1 Ų41.110%0.10421%0.213CC..  trans-97137.8160.360.50000110.7I548 P997 Y998 S999I548-T1001 HydrophobicContact CD1-CG2 3.11Å; P997-T1001 WeakPolarHBondContact CB-OG1 3.37Å; Y998-T1001 PolarHBondContact N-OG1 3.44Å; Y998-T1001 VanDerWaalsContact N-OG1 3.13Å; Y998-T1001 WeakPolarHBondContact O-CB 3.43Å; Y998-T1001 PolarHBondContact O-N 3.12Å; Y998-T1001 PolarHBondContact O-OG1 3.26Å; S999-T1001 VanDerWaalsContact C-N 3.29Å; S999-T1001 PolarHBondContact O-N 2.76Å
1002G72.1Confident77.9Confident6 Ų641 Ų416%0.06221%0.211CC..  trans-131.7160.6176.600000111.7Y1047 F1075G1002-Y1047 WeakPolarHBondContact CA-OH 3.39Å; G1002-F1075 VanDerWaalsContact C-CE1 3.47Å
1003A81.2Confident78.7Confident6 Ų637.3 Ų37.35%0.0520%0.195CC..  trans-68.4159.5170.300000110.3M1007 L1027 Y1047 F1075A1003-M1007 HydrophobicContact CB-SD 4.17Å; A1003-L1027 HydrophobicContact CB-CD1 3.61Å; A1003-Y1047 HydrophobicContact CB-CD1 4.43Å; A1003-Y1047 HydrophobicContact CB-CD2 4.46Å; A1003-Y1047 HydrophobicContact CB-CE1 3.95Å; A1003-Y1047 HydrophobicContact CB-CE2 3.97Å; A1003-Y1047 PolarHBondContact N-OH 2.82Å; A1003-F1075 HydrophobicContact CB-CB 4.07Å; A1003-F1075 HydrophobicContact CB-CD1 3.92Å; A1003-F1075 HydrophobicContact CB-CD2 4.41Å; A1003-F1075 HydrophobicContact CB-CE1 4.43Å; A1003-F1075 HydrophobicContact CB-CG 3.89Å
1004S78.3Confident78.9Confident45 Ų4535.9 Ų35.932%0.31519%0.185SC..  trans-133.5155.6173.170.60000110R1006 M1007S1004-R1006 PolarHBondContact O-N 2.92Å; S1004-M1007 PolarHBondContact O-N 2.91Å
1005S80.6Confident78.8Confident38 Ų3835.4 Ų35.427%0.26618%0.183SC..THydrogen-bonded Turntrans-61.90.317853.40000115.3Q1026 L1027 T1029S1005-Q1026 PolarHBondContact O-NE2 2.93Å; S1005-L1027 VanDerWaalsContact CA-O 3.3Å; S1005-L1027 WeakPolarHBondContact CA-O 3.45Å; S1005-L1027 WeakPolarHBondContact CB-O 3.44Å; S1005-T1029 WeakPolarHBondContact OG-CG2 3.38Å
1006R78Confident78.6Confident184 Ų18437.6 Ų37.669%0.69419%0.187SC*.THydrogen-bonded Turntrans-103.4-4.2175-44.3-176.4-160.6-126.55.5113.7E514 S1004E514-R1006 IonicContact OE1-CZ 3.77Å; E514-R1006 IonicContact OE1-NE 3.4Å; E514-R1006 PolarHBondContact OE1-NE 3.14Å; E514-R1006 VanDerWaalsContact OE1-NE 3.13Å; E514-R1006 IonicContact OE1-NH2 3.12Å; E514-R1006 PolarHBondContact OE1-NH2 3.04Å; E514-R1006 IonicContact OE2-CZ 2.69Å; E514-R1006 IonicContact OE2-NH2 2.66Å; E514-R1006 PolarHBondContact OE2-NH2 2.9Å; S1004-R1006 PolarHBondContact O-N 2.92Å
1007M83.3Confident78.1Confident44 Ų4440.1 Ų40.122%0.21720%0.198CC..SBendtrans-83.3139.1175.1-64.8177.2-17800109.4A1003 S1004 C1009 C1066 F1075A1003-M1007 HydrophobicContact CB-SD 4.17Å; S1004-M1007 PolarHBondContact O-N 2.91Å; M1007-C1009 PolarHBondContact O-N 2.61Å; M1007-C1066 HydrophobicContact CB-CB 4.17Å; M1007-C1066 HydrophobicContact SD-CB 4.28Å; M1007-F1075 HydrophobicContact CE-CZ 4.32Å; M1007-F1075 HydrophobicContact SD-CE2 4.13Å; M1007-F1075 HydrophobicContact SD-CZ 4.16Å
1008Q86.7Confident77.9Confident106 Ų10640.1 Ų40.150%0.49520%0.199SC..  trans-69.7127.1164.2-70174.7-2200108.1C1066 Q1067Q1008-C1066 CarbonylContact O-C 3.5Å; Q1008-C1066 VanDerWaalsContact O-CA 3.3Å; Q1008-C1066 WeakPolarHBondContact O-CA 3.3Å; Q1008-Q1067 PolarHBondContact O-N 3Å
1009C91.3Very high78.2Confident1 Ų138 Ų381%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-132.7143.5-178.6-58.80000110.9M1007 Y1025 L1027 L1064 L1065 C1066M1007-C1009 PolarHBondContact O-N 2.61Å; C1009-Y1025 PolarHBondContact O-N 2.91Å; C1009-L1027 HydrophobicContact CB-CG 4.39Å; C1009-L1027 WeakPolarHBondContact SG-CD1 3.43Å; C1009-L1064 HydrophobicContact CB-CD1 3.95Å; C1009-L1065 CarbonylContact C-O 3.6Å; C1009-L1065 VanDerWaalsContact CA-O 3.27Å; C1009-L1065 WeakPolarHBondContact CA-O 3.41Å; C1009-C1066 HydrophobicContact CB-CB 4.07Å; C1009-C1066 WeakPolarHBondContact CB-SG 3.26Å; C1009-C1066 WeakPolarHBondContact SG-CB 3.16Å; C1009-C1066 CovalentContact SG-SG 2.04Å; C1009-C1066 PolarHBondContact SG-SG 3.2Å
1010Y90.9Very high78.8Confident26 Ų2635.4 Ų35.410%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-129.3152.3176.7-68-96.1000110.4L881 R1022 I1023 Q1024 L1065 W1072L881-Y1010 HydrophobicContact CD2-CE2 3.83Å; Y1010-R1022 HydrophobicContact CD1-CB 4.49Å; Y1010-I1023 CarbonylContact C-O 3.53Å; Y1010-I1023 WeakPolarHBondContact CA-O 3.37Å; Y1010-Q1024 HydrophobicContact CD1-CB 4.03Å; Y1010-Q1024 HydrophobicContact CE1-CB 3.66Å; Y1010-Q1024 HydrophobicContact CE1-CG 4.2Å; Y1010-Q1024 PolarHBondContact OH-OE1 2.71Å; Y1010-L1065 PolarHBondContact N-O 3.5Å; Y1010-L1065 PolarHBondContact O-N 2.82Å; Y1010-W1072 AromaticContact CD2-CH2 3.64Å; Y1010-W1072 HydrophobicContact CD2-CH2 3.64Å; Y1010-W1072 AromaticContact CD2-CZ3 3.78Å; Y1010-W1072 HydrophobicContact CD2-CZ3 3.78Å; Y1010-W1072 AromaticContact CE2-CH2 3.73Å; Y1010-W1072 HydrophobicContact CE2-CH2 3.73Å; Y1010-W1072 HydrophobicContact CE2-CZ3 4.31Å
1011V90.5Very high80Confident0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-110.8134.9165.6-176.80000107.9R1022 I1023 Y1025 L1056 P1063 L1064 Y1078 F1105V1011-R1022 WeakPolarHBondContact O-CA 3.48Å; V1011-I1023 PolarHBondContact N-O 2.9Å; V1011-I1023 PolarHBondContact O-N 2.89Å; V1011-Y1025 HydrophobicContact CB-CD2 3.93Å; V1011-Y1025 HydrophobicContact CB-CE2 4Å; V1011-Y1025 HydrophobicContact CG2-CD2 3.37Å; V1011-Y1025 HydrophobicContact CG2-CE2 3.7Å; V1011-Y1025 HydrophobicContact CG2-CG 3.97Å; V1011-L1056 HydrophobicContact CB-CD1 4.4Å; V1011-L1056 HydrophobicContact CG1-CD1 3.68Å; V1011-P1063 WeakPolarHBondContact CA-O 3.41Å; V1011-L1064 HydrophobicContact CG2-CD1 4.19Å; V1011-Y1078 HydrophobicContact CG1-CD2 4.29Å; V1011-F1105 HydrophobicContact CG2-CE1 3.53Å; V1011-F1105 HydrophobicContact CG2-CZ 3.77Å
1012S86.1Confident80.8Confident1 Ų135.1 Ų35.11%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-112.9143.2176.5-177.50000111.2A884 S885 V1021 S1062A884-S1012 WeakPolarHBondContact CA-OG 3.14Å; S885-S1012 PolarHBondContact N-OG 3.48Å; S885-S1012 VanDerWaalsContact N-OG 3.17Å; S1012-V1021 PolarHBondContact OG-O 2.81Å; S1012-S1062 WeakPolarHBondContact O-CB 3.22Å; S1012-S1062 PolarHBondContact O-OG 2.96Å
1013G84.1Confident81.4Confident3 Ų335.1 Ų35.13%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-174.3-151.3175.900000109.2P1020 V1021G1013-P1020 WeakPolarHBondContact O-CA 3.45Å; G1013-V1021 PolarHBondContact N-O 2.63Å; G1013-V1021 PolarHBondContact O-N 3.48Å
1014V81Confident81.7Confident2 Ų240 Ų401%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-115.4154.2174-680000110.6L940 M1019 L1056 E1057L940-V1014 HydrophobicContact CB-CG1 4.41Å; L940-V1014 HydrophobicContact CB-CG2 4.28Å; L940-V1014 HydrophobicContact CD2-CG2 4.23Å; V1014-M1019 CarbonylContact C-O 3.54Å; V1014-M1019 WeakPolarHBondContact CA-O 3.06Å; V1014-M1019 WeakPolarHBondContact CB-O 3.46Å; V1014-L1056 CarbonylContact O-C 3.56Å; V1014-L1056 WeakPolarHBondContact O-CA 3.3Å; V1014-E1057 HydrophobicContact CG2-CB 4.34Å; V1014-E1057 PolarHBondContact O-N 2.87Å
1015C80.8Confident82.3Confident0 Ų038.1 Ų38.10%018%0.176CC..  trans-94.8175.9170.472.50000111.8H804 H1017 G1018 M1019 V1021 V1055H804-C1015 VanDerWaalsContact CE1-SG 3.55Å; C1015-H1017 PolarHBondContact O-N 2.92Å; C1015-G1018 PolarHBondContact O-N 2.76Å; C1015-M1019 PolarHBondContact N-O 2.87Å; C1015-V1021 HydrophobicContact CB-CG1 3.82Å; C1015-V1021 HydrophobicContact CB-CG2 4.06Å; C1015-V1055 VanDerWaalsContact CA-O 3.26Å; C1015-V1055 WeakPolarHBondContact CA-O 3.39Å; C1015-V1055 WeakPolarHBondContact CB-O 3.06Å
1016Q77Confident82.7Confident121 Ų12141.2 Ų41.257%0.56519%0.186SC*.THydrogen-bonded Turntrans-584.8-178.768160.835.600116.7R942R942-Q1016 PolarHBondContact NH1-O 3.29Å; R942-Q1016 VanDerWaalsContact NH2-C 3.26Å; R942-Q1016 PolarHBondContact NH2-O 3.17Å
1017H72.9Confident83.3Confident72 Ų7232.7 Ų32.733%0.33315%0.154SC..THydrogen-bonded Turntrans-107.7-3.9173.4-53.5130.4000112.7C1015 M1019C1015-H1017 PolarHBondContact O-N 2.92Å; H1017-M1019 VanDerWaalsContact C-N 3.31Å; H1017-M1019 HydrophobicContact CB-CG 4.29Å
1018G72.1Confident83.6Confident3 Ų332 Ų323%0.03115%0.152CC..SBendtrans823.5-17300000114.7L940 C1015L940-G1018 PolarHBondContact N-O 3.46Å; C1015-G1018 PolarHBondContact O-N 2.76Å
1019M72.4Confident83.4Confident59 Ų5929.2 Ų29.229%0.29114%0.141SC..  trans-85.8142.6-179.5-64.1-62.8-66.900111.6L939 V1014 C1015 H1017L939-M1019 HydrophobicContact CD2-CE 4.15Å; L939-M1019 HydrophobicContact CD2-SD 3.58Å; L939-M1019 VanDerWaalsContact CD2-SD 3.58Å; V1014-M1019 CarbonylContact C-O 3.54Å; V1014-M1019 WeakPolarHBondContact CA-O 3.06Å; V1014-M1019 WeakPolarHBondContact CB-O 3.46Å; C1015-M1019 PolarHBondContact N-O 2.87Å; H1017-M1019 VanDerWaalsContact C-N 3.31Å; H1017-M1019 HydrophobicContact CB-CG 4.29Å
1020P75.1Confident82.7Confident2 Ų230.4 Ų30.41%0.01315%0.149CC..EExtended strand (participates in β ladder)trans-71.1137.8176.628.4-33.6000111.9I805 V807 A884 S938 G1013I805-P1020 HydrophobicContact CB-CB 4.38Å; I805-P1020 HydrophobicContact CB-CG 4.28Å; I805-P1020 PolarHBondContact N-O 3.48Å; V807-P1020 HydrophobicContact CG2-CG 4.07Å; A884-P1020 HydrophobicContact CB-CB 3.69Å; S938-P1020 WeakPolarHBondContact O-CB 3.28Å; S938-P1020 VanDerWaalsContact O-CD 3.28Å; S938-P1020 WeakPolarHBondContact O-CD 3.38Å; S938-P1020 VanDerWaalsContact O-CG 3.27Å; S938-P1020 WeakPolarHBondContact O-CG 3.44Å; G1013-P1020 WeakPolarHBondContact O-CA 3.45Å
1021V78.3Confident82Confident0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-141.1166-177.6-59.70000111.1E803 S1012 G1013 C1015 L1056E803-V1021 WeakPolarHBondContact O-CA 3.4Å; S1012-V1021 PolarHBondContact OG-O 2.81Å; G1013-V1021 PolarHBondContact N-O 2.63Å; G1013-V1021 PolarHBondContact O-N 3.48Å; C1015-V1021 HydrophobicContact CB-CG1 3.82Å; C1015-V1021 HydrophobicContact CB-CG2 4.06Å; V1021-L1056 HydrophobicContact CG2-CD2 3.55Å
1022R83.5Confident81.6Confident19 Ų1935.7 Ų35.77%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-134.5142169.959.2-175.6177.8-140.5-3.8111.2E803 I805 L881 P882 Y1010 V1011E803-R1022 IonicContact OE1-CZ 3.02Å; E803-R1022 IonicContact OE1-NE 2.77Å; E803-R1022 IonicContact OE1-NH2 3.81Å; E803-R1022 PolarHBondContact OE1-NH2 3.23Å; E803-R1022 IonicContact OE2-CZ 3.06Å; E803-R1022 VanDerWaalsContact OE2-CZ 3.26Å; E803-R1022 IonicContact OE2-NE 2.72Å; E803-R1022 PolarHBondContact OE2-NE 2.95Å; E803-R1022 IonicContact OE2-NH2 2.84Å; E803-R1022 PolarHBondContact OE2-NH2 2.81Å; I805-R1022 HydrophobicContact CD1-CB 4.32Å; I805-R1022 HydrophobicContact CD1-CG 4.31Å; L881-R1022 VanDerWaalsContact CB-CZ 3.42Å; L881-R1022 VanDerWaalsContact CB-NH1 3.33Å; L881-R1022 VanDerWaalsContact CD1-NH2 3.34Å; P882-R1022 PolarHBondContact O-NH1 3.04Å; Y1010-R1022 HydrophobicContact CD1-CB 4.49Å; V1011-R1022 WeakPolarHBondContact O-CA 3.48Å
1023I84.7Confident81.4Confident5 Ų535.7 Ų35.73%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-123.9132.8179.4-52.4179.8000109Y1010 V1011 Y1025 Q1052 V1055 L1056Y1010-I1023 CarbonylContact C-O 3.53Å; Y1010-I1023 WeakPolarHBondContact CA-O 3.37Å; V1011-I1023 PolarHBondContact N-O 2.9Å; V1011-I1023 PolarHBondContact O-N 2.89Å; I1023-Y1025 HydrophobicContact CB-CD2 4.35Å; I1023-Y1025 HydrophobicContact CB-CE2 4.09Å; I1023-Y1025 HydrophobicContact CG2-CD2 4.16Å; I1023-Y1025 HydrophobicContact CG2-CE2 3.87Å; I1023-Q1052 HydrophobicContact CG2-CB 4.41Å; I1023-V1055 HydrophobicContact CD1-CB 3.52Å; I1023-V1055 HydrophobicContact CD1-CG1 3.48Å; I1023-V1055 VanDerWaalsContact CD1-CG1 3.48Å; I1023-V1055 HydrophobicContact CG1-CB 4.41Å; I1023-V1055 HydrophobicContact CG1-CG1 3.88Å; I1023-L1056 HydrophobicContact CD1-CD1 4.25Å; I1023-L1056 HydrophobicContact CD1-CD2 4.27Å; I1023-L1056 HydrophobicContact CD1-CG 3.68Å; I1023-L1056 HydrophobicContact CG1-CG 4.44Å
1024Q87.8Confident81Confident109 Ų10937.3 Ų37.351%0.50919%0.185SC..EExtended strand (participates in β ladder)trans-72.6132.6172.2-172.9174.9-40.600110.7Y1010Y1010-Q1024 HydrophobicContact CD1-CB 4.03Å; Y1010-Q1024 HydrophobicContact CE1-CB 3.66Å; Y1010-Q1024 HydrophobicContact CE1-CG 4.2Å; Y1010-Q1024 PolarHBondContact OH-OE1 2.71Å
1025Y90.5Very high80.9Confident6 Ų643.8 Ų43.82%0.02422%0.216CC..  trans-119.6123.6175.2-91.6-95.5000111.1C1009 V1011 I1023 L1027 V1050 A1103 F1105C1009-Y1025 PolarHBondContact O-N 2.91Å; V1011-Y1025 HydrophobicContact CB-CD2 3.93Å; V1011-Y1025 HydrophobicContact CB-CE2 4Å; V1011-Y1025 HydrophobicContact CG2-CD2 3.37Å; V1011-Y1025 HydrophobicContact CG2-CE2 3.7Å; V1011-Y1025 HydrophobicContact CG2-CG 3.97Å; I1023-Y1025 HydrophobicContact CB-CD2 4.35Å; I1023-Y1025 HydrophobicContact CB-CE2 4.09Å; I1023-Y1025 HydrophobicContact CG2-CD2 4.16Å; I1023-Y1025 HydrophobicContact CG2-CE2 3.87Å; Y1025-L1027 PolarHBondContact O-N 2.86Å; Y1025-V1050 WeakPolarHBondContact CA-O 3.46Å; Y1025-V1050 WeakPolarHBondContact CD1-O 3.2Å; Y1025-A1103 HydrophobicContact CD1-CB 4.29Å; Y1025-A1103 HydrophobicContact CE1-CB 3.61Å; Y1025-F1105 HydrophobicContact CD1-CE2 4.09Å; Y1025-F1105 AromaticContact CD1-CZ 3.77Å; Y1025-F1105 HydrophobicContact CD1-CZ 3.77Å; Y1025-F1105 HydrophobicContact CE1-CZ 4.12Å; Y1025-F1105 HydrophobicContact CG-CZ 4.02Å
1026Q90.4Very high80.8Confident102 Ų10249.1 Ų49.148%0.47724%0.24SC..EExtended strand (participates in β ladder)trans-82.8103.4174.8-175.565.562.400108.8S1005 L1028 G1049 V1050S1005-Q1026 PolarHBondContact O-NE2 2.93Å; Q1026-L1028 PolarHBondContact O-N 3.19Å; Q1026-G1049 CarbonylContact O-C 3.59Å; Q1026-G1049 WeakPolarHBondContact O-CA 3.13Å; Q1026-V1050 PolarHBondContact N-O 2.99Å; Q1026-V1050 PolarHBondContact O-N 2.95Å
1027L90.4Very high80.8Confident5 Ų544.3 Ų44.33%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-66.4133.1175.4-69.6-173.4000111.1A1003 S1005 C1009 Y1025 L1064 F1105A1003-L1027 HydrophobicContact CB-CD1 3.61Å; S1005-L1027 VanDerWaalsContact CA-O 3.3Å; S1005-L1027 WeakPolarHBondContact CA-O 3.45Å; S1005-L1027 WeakPolarHBondContact CB-O 3.44Å; C1009-L1027 HydrophobicContact CB-CG 4.39Å; C1009-L1027 WeakPolarHBondContact SG-CD1 3.43Å; Y1025-L1027 PolarHBondContact O-N 2.86Å; L1027-L1064 HydrophobicContact CD1-CD2 4.36Å; L1027-L1064 HydrophobicContact CD2-CD1 4.35Å; L1027-L1064 HydrophobicContact CD2-CD2 4.02Å; L1027-F1105 HydrophobicContact CD2-CD2 4.34Å; L1027-F1105 HydrophobicContact CD2-CE2 4.39Å
1028L88.6Confident80.9Confident31 Ų3142.3 Ų42.316%0.16222%0.217CC..PPolyproline II helixtrans-90.9156.9177.6-64.7-174000111.3Q1026 E1032 C1048 V1050Q1026-L1028 PolarHBondContact O-N 3.19Å; L1028-E1032 HydrophobicContact CB-CB 3.99Å; L1028-E1032 HydrophobicContact CD1-CB 4.29Å; L1028-E1032 HydrophobicContact CD2-CB 4.5Å; L1028-E1032 HydrophobicContact CG-CB 4.49Å; L1028-C1048 PolarHBondContact N-O 2.88Å; L1028-V1050 HydrophobicContact CD1-CG2 3.95Å; L1028-V1050 HydrophobicContact CD2-CG2 4.28Å; L1028-V1050 HydrophobicContact CG-CG2 4.21Å
1029T82.1Confident80.8Confident46 Ų4648.3 Ų48.328%0.28225%0.248SC..PPolyproline II helixtrans-72.9153.8169.566.10000110.7S1005 T1031 E1032 C1033S1005-T1029 WeakPolarHBondContact OG-CG2 3.38Å; T1029-T1031 PolarHBondContact O-N 2.92Å; T1029-E1032 VanDerWaalsContact CB-OE2 3.23Å; T1029-E1032 WeakPolarHBondContact CB-OE2 3.49Å; T1029-E1032 VanDerWaalsContact CG2-OE2 3.31Å; T1029-E1032 WeakPolarHBondContact CG2-OE2 3.29Å; T1029-E1032 PolarHBondContact N-OE2 2.75Å; T1029-E1032 WeakPolarHBondContact O-CA 3.38Å; T1029-E1032 PolarHBondContact O-N 3.05Å; T1029-E1032 VanDerWaalsContact OG1-CD 3.3Å; T1029-E1032 WeakPolarHBondContact OG1-CG 3.17Å; T1029-E1032 PolarHBondContact OG1-N 3.36Å; T1029-E1032 PolarHBondContact OG1-OE2 2.01Å; T1029-C1033 PolarHBondContact O-N 2.86Å; T1029-C1033 PolarHBondContact O-SG 2.88Å
1030P78.5Confident80.8Confident26 Ų2651.6 Ų51.617%0.16926%0.261CS..Hα-helixtrans-53.7-28.3178.5-29.436.8000114.8I487 M489 K1034 F1041 P1043I487-P1030 HydrophobicContact CD1-CB 4.09Å; I487-P1030 HydrophobicContact CG2-CB 4.01Å; M489-P1030 HydrophobicContact CG-CG 4.23Å; M489-P1030 HydrophobicContact SD-CG 4.15Å; P1030-K1034 WeakPolarHBondContact O-CB 2.79Å; P1030-K1034 PolarHBondContact O-N 2.91Å; P1030-K1034 VanDerWaalsContact O-N 3.13Å; P1030-F1041 HydrophobicContact CB-CE1 4.01Å; P1030-F1041 HydrophobicContact CB-CZ 4.37Å; P1030-P1043 HydrophobicContact CB-CB 4.17Å
1031T74.7Confident81Confident64 Ų6451.9 Ų51.939%0.39326%0.262SS..Hα-helixtrans-68.4-43.3173.8-51.10000112.2I487 T1029 Q1035I487-T1031 WeakPolarHBondContact CG2-OG1 3.2Å; T1029-T1031 PolarHBondContact O-N 2.92Å; T1031-Q1035 WeakPolarHBondContact O-CG 3.43Å; T1031-Q1035 PolarHBondContact O-N 3.45Å; T1031-Q1035 VanDerWaalsContact O-N 3.13Å
1032E82.1Confident80.9Confident73 Ų7352.3 Ų52.334%0.34126%0.264SS..Hα-helixtrans-71-44.9177-69.2157.5139.500110.4L1028 T1029 K1034 Q1035 H1036L1028-E1032 HydrophobicContact CB-CB 3.99Å; L1028-E1032 HydrophobicContact CD1-CB 4.29Å; L1028-E1032 HydrophobicContact CD2-CB 4.5Å; L1028-E1032 HydrophobicContact CG-CB 4.49Å; T1029-E1032 VanDerWaalsContact CB-OE2 3.23Å; T1029-E1032 WeakPolarHBondContact CB-OE2 3.49Å; T1029-E1032 VanDerWaalsContact CG2-OE2 3.31Å; T1029-E1032 WeakPolarHBondContact CG2-OE2 3.29Å; T1029-E1032 PolarHBondContact N-OE2 2.75Å; T1029-E1032 WeakPolarHBondContact O-CA 3.38Å; T1029-E1032 PolarHBondContact O-N 3.05Å; T1029-E1032 VanDerWaalsContact OG1-CD 3.3Å; T1029-E1032 WeakPolarHBondContact OG1-CG 3.17Å; T1029-E1032 PolarHBondContact OG1-N 3.36Å; T1029-E1032 PolarHBondContact OG1-OE2 2.01Å; E1032-K1034 VanDerWaalsContact C-N 3.25Å; E1032-K1034 PolarHBondContact O-N 2.85Å; E1032-Q1035 WeakPolarHBondContact O-CA 3.32Å; E1032-Q1035 WeakPolarHBondContact O-CB 3.49Å; E1032-Q1035 PolarHBondContact O-N 3.45Å; E1032-H1036 PolarHBondContact O-CD2 2.91Å; E1032-H1036 VanDerWaalsContact O-CD2 3.3Å; E1032-H1036 PolarHBondContact O-N 2.84Å
1033C82.9Confident80.5Confident1 Ų151.7 Ų51.71%0.00726%0.263CS..Hα-helixtrans-50.9-46.1173.1-55.70000111.8T1029 Q1035 H1036 L1037 F1041 C1048T1029-C1033 PolarHBondContact O-N 2.86Å; T1029-C1033 PolarHBondContact O-SG 2.88Å; C1033-Q1035 PolarHBondContact O-N 3.36Å; C1033-H1036 PolarHBondContact O-N 3.35Å; C1033-L1037 WeakPolarHBondContact O-CB 3.37Å; C1033-L1037 PolarHBondContact O-N 2.97Å; C1033-F1041 HydrophobicContact CB-CB 4.49Å; C1033-F1041 HydrophobicContact CB-CD1 3.38Å; C1033-F1041 HydrophobicContact CB-CD2 3.75Å; C1033-F1041 HydrophobicContact CB-CE1 3.31Å; C1033-F1041 HydrophobicContact CB-CE2 3.69Å; C1033-F1041 HydrophobicContact CB-CG 3.59Å; C1033-F1041 HydrophobicContact CB-CZ 3.47Å; C1033-F1041 VanDerWaalsContact CB-CZ 3.47Å; C1033-C1048 HydrophobicContact CB-CB 4.24Å; C1033-C1048 PolarHBondContact SG-SG 2.74Å
1034K76.1Confident79.7Confident37 Ų3752.3 Ų52.316%0.16127%0.268CS..Hα-helixtrans-71.1-24.4177.4-172.8156.3-176144.80113.6S470 P1030 E1032 G1038 D1039 F1041S470-K1034 PolarHBondContact OG-NZ 3.19Å; P1030-K1034 WeakPolarHBondContact O-CB 2.79Å; P1030-K1034 PolarHBondContact O-N 2.91Å; P1030-K1034 VanDerWaalsContact O-N 3.13Å; E1032-K1034 VanDerWaalsContact C-N 3.25Å; E1032-K1034 PolarHBondContact O-N 2.85Å; K1034-G1038 VanDerWaalsContact O-CA 3.31Å; K1034-G1038 WeakPolarHBondContact O-CA 3.48Å; K1034-G1038 PolarHBondContact O-N 2.78Å; K1034-G1038 VanDerWaalsContact O-N 3.08Å; K1034-D1039 WeakPolarHBondContact CE-OD1 3.46Å; K1034-D1039 IonicContact NZ-OD1 2.78Å; K1034-D1039 PolarHBondContact NZ-OD1 3.05Å; K1034-F1041 HydrophobicContact CB-CD1 4.4Å
1035Q77.6Confident79.1Confident139 Ų13947.7 Ų47.765%0.6525%0.247SC*.Hα-helixtrans-72.5-36.5170.3-73.7172.53600112.5T1031 E1032 C1033T1031-Q1035 WeakPolarHBondContact O-CG 3.43Å; T1031-Q1035 PolarHBondContact O-N 3.45Å; T1031-Q1035 VanDerWaalsContact O-N 3.13Å; E1032-Q1035 WeakPolarHBondContact O-CA 3.32Å; E1032-Q1035 WeakPolarHBondContact O-CB 3.49Å; E1032-Q1035 PolarHBondContact O-N 3.45Å; C1033-Q1035 PolarHBondContact O-N 3.36Å
1036H78.2Confident78.8Confident112 Ų11247.6 Ų47.652%0.51925%0.247SC..Hα-helixtrans-81.8-37.4179.9-77.5-91.7000113.4E1032 C1033 V1102E1032-H1036 PolarHBondContact O-CD2 2.91Å; E1032-H1036 VanDerWaalsContact O-CD2 3.3Å; E1032-H1036 PolarHBondContact O-N 2.84Å; C1033-H1036 PolarHBondContact O-N 3.35Å; H1036-V1102 HydrophobicContact CB-CG1 4.37Å; H1036-V1102 HydrophobicContact CB-CG2 4.48Å
1037L77.8Confident78.8Confident20 Ų2043.7 Ų43.711%0.10523%0.228CC..Hα-helixtrans-113.6-8.8-169.1-57.5-178.3000114.5C1033 K1040 F1041 C1048 F1082 V1102 L1104C1033-L1037 WeakPolarHBondContact O-CB 3.37Å; C1033-L1037 PolarHBondContact O-N 2.97Å; L1037-K1040 WeakPolarHBondContact O-CB 3.41Å; L1037-K1040 PolarHBondContact O-N 2.88Å; L1037-F1041 HydrophobicContact CB-CB 3.94Å; L1037-F1041 HydrophobicContact CD1-CB 4.17Å; L1037-C1048 HydrophobicContact CD1-CB 3.94Å; L1037-F1082 HydrophobicContact CD1-CD2 4.49Å; L1037-F1082 HydrophobicContact CD1-CE2 4.45Å; L1037-F1082 HydrophobicContact CD2-CB 4.34Å; L1037-F1082 HydrophobicContact CD2-CD2 3.38Å; L1037-F1082 HydrophobicContact CD2-CE2 3.89Å; L1037-F1082 HydrophobicContact CD2-CG 4.07Å; L1037-V1102 HydrophobicContact CD1-CG1 4.08Å; L1037-V1102 HydrophobicContact CD2-CB 4.25Å; L1037-V1102 HydrophobicContact CD2-CG1 3.82Å; L1037-V1102 HydrophobicContact CG-CG1 4.04Å; L1037-L1104 HydrophobicContact CD1-CD1 4.39Å; L1037-L1104 HydrophobicContact CD1-CD2 3.57Å; L1037-L1104 HydrophobicContact CD1-CG 3.86Å
1038G75.4Confident78.8Confident29 Ų2943.5 Ų43.530%0.29923%0.226SC..G310 helixtrans59.4-136.7-175.500000111.9K1034 K1040 F1041K1034-G1038 VanDerWaalsContact O-CA 3.31Å; K1034-G1038 WeakPolarHBondContact O-CA 3.48Å; K1034-G1038 PolarHBondContact O-N 2.78Å; K1034-G1038 VanDerWaalsContact O-N 3.08Å; G1038-K1040 PolarHBondContact O-N 2.88Å; G1038-F1041 PolarHBondContact O-N 2.91Å
1039D69.6Low78.9Confident129 Ų12942 Ų4269%0.6922%0.219SC*.G310 helixtrans-78.4-2.9-177.3-57.2-58.4000114.1K1034 F1041K1034-D1039 WeakPolarHBondContact CE-OD1 3.46Å; K1034-D1039 IonicContact NZ-OD1 2.78Å; K1034-D1039 PolarHBondContact NZ-OD1 3.05Å; D1039-F1041 PolarHBondContact O-N 2.88Å
1040K72Confident79.3Confident128 Ų12841 Ų4156%0.55721%0.212SC*.G310 helixtrans-70.1-16.9170.7-59.6-166.7175.3-162.70113.4L1037 G1038 F1082L1037-K1040 WeakPolarHBondContact O-CB 3.41Å; L1037-K1040 PolarHBondContact O-N 2.88Å; G1038-K1040 PolarHBondContact O-N 2.88Å; K1040-F1082 HydrophobicContact CD-CE1 3.9Å; K1040-F1082 HydrophobicContact CD-CZ 3.72Å
1041F78.8Confident79.6Confident8 Ų840.2 Ų40.24%0.03521%0.209CC..  trans-96.4119.8179.8171.1-107.8000111.9P1030 C1033 K1034 L1037 G1038 D1039 P1043 M1046 C1048 L1104P1030-F1041 HydrophobicContact CB-CE1 4.01Å; P1030-F1041 HydrophobicContact CB-CZ 4.37Å; C1033-F1041 HydrophobicContact CB-CB 4.49Å; C1033-F1041 HydrophobicContact CB-CD1 3.38Å; C1033-F1041 HydrophobicContact CB-CD2 3.75Å; C1033-F1041 HydrophobicContact CB-CE1 3.31Å; C1033-F1041 HydrophobicContact CB-CE2 3.69Å; C1033-F1041 HydrophobicContact CB-CG 3.59Å; C1033-F1041 HydrophobicContact CB-CZ 3.47Å; C1033-F1041 VanDerWaalsContact CB-CZ 3.47Å; K1034-F1041 HydrophobicContact CB-CD1 4.4Å; L1037-F1041 HydrophobicContact CB-CB 3.94Å; L1037-F1041 HydrophobicContact CD1-CB 4.17Å; G1038-F1041 PolarHBondContact O-N 2.91Å; D1039-F1041 PolarHBondContact O-N 2.88Å; F1041-P1043 HydrophobicContact CD1-CB 4.48Å; F1041-P1043 HydrophobicContact CE1-CB 3.69Å; F1041-P1043 HydrophobicContact CE1-CG 4.48Å; F1041-P1043 HydrophobicContact CZ-CB 4.09Å; F1041-P1043 VanDerWaalsContact O-CD 3.3Å; F1041-P1043 WeakPolarHBondContact O-CD 3.28Å; F1041-M1046 HydrophobicContact CD2-CB 4.01Å; F1041-M1046 HydrophobicContact CD2-SD 4.44Å; F1041-M1046 HydrophobicContact CE2-CB 3.86Å; F1041-M1046 WeakPolarHBondContact CE2-O 3.16Å; F1041-C1048 HydrophobicContact CD2-CB 4.3Å; F1041-C1048 HydrophobicContact CE2-CB 4.36Å; F1041-L1104 HydrophobicContact CD2-CD2 3.82Å
1042L76.6Confident79.7Confident10 Ų1040.5 Ų40.55%0.05221%0.206CC..  trans-102.397.7180-55-176.5000110.7F468 Y965 L971 S1044 V1045 M1046F468-L1042 HydrophobicContact CB-CD2 4.2Å; Y965-L1042 HydrophobicContact CD2-CD1 4.19Å; Y965-L1042 HydrophobicContact CE2-CD1 3.4Å; L971-L1042 HydrophobicContact CD1-CD1 3.78Å; L971-L1042 HydrophobicContact CD2-CD1 3.76Å; L971-L1042 HydrophobicContact CG-CD1 4.4Å; L1042-S1044 PolarHBondContact O-N 3.49Å; L1042-V1045 HydrophobicContact CB-CG2 3.75Å; L1042-V1045 HydrophobicContact CD1-CG2 4.1Å; L1042-V1045 PolarHBondContact O-N 2.85Å; L1042-V1045 VanDerWaalsContact O-N 3.15Å; L1042-M1046 HydrophobicContact CB-CE 4.43Å; L1042-M1046 HydrophobicContact CB-CG 4.41Å; L1042-M1046 HydrophobicContact CB-SD 3.86Å; L1042-M1046 HydrophobicContact CD1-CE 4.19Å; L1042-M1046 HydrophobicContact CG-CE 4.14Å; L1042-M1046 HydrophobicContact CG-SD 4.07Å; L1042-M1046 PolarHBondContact N-SD 2.81Å; L1042-M1046 WeakPolarHBondContact O-CB 3.37Å; L1042-M1046 PolarHBondContact O-N 2.76Å
1043P75.1Confident79.2Confident6 Ų639.4 Ų39.44%0.03920%0.2CC..THydrogen-bonded Turntrans-64.4-16.4-169.725.2-35.7000114.9M489 P1030 F1041 K1107M489-P1043 WeakPolarHBondContact CG-O 3.35Å; P1030-P1043 HydrophobicContact CB-CB 4.17Å; F1041-P1043 HydrophobicContact CD1-CB 4.48Å; F1041-P1043 HydrophobicContact CE1-CB 3.69Å; F1041-P1043 HydrophobicContact CE1-CG 4.48Å; F1041-P1043 HydrophobicContact CZ-CB 4.09Å; F1041-P1043 VanDerWaalsContact O-CD 3.3Å; F1041-P1043 WeakPolarHBondContact O-CD 3.28Å; P1043-K1107 PolarHBondContact O-NZ 3.02Å
1044S68.8Low78.6Confident18 Ų1845.7 Ų45.713%0.12623%0.234CC..THydrogen-bonded Turntrans-70.7-51.4173.354.70000112.1P467 L1042 K1107P467-S1044 VanDerWaalsContact O-CB 3.26Å; P467-S1044 WeakPolarHBondContact O-CB 2.97Å; P467-S1044 PolarHBondContact O-OG 2.93Å; L1042-S1044 PolarHBondContact O-N 3.49Å; S1044-K1107 WeakPolarHBondContact O-CD 3.48Å; S1044-K1107 WeakPolarHBondContact O-CE 3.04Å; S1044-K1107 PolarHBondContact O-NZ 3.42Å
1045V74.9Confident78.7Confident11 Ų1144.9 Ų44.97%0.06723%0.232CC..THydrogen-bonded Turntrans-111.2-9.8-166.9-63.80000115.1F964 Y965 L1042 K1107F964-V1045 HydrophobicContact CD1-CG1 4.22Å; F964-V1045 HydrophobicContact CD2-CB 4.4Å; F964-V1045 HydrophobicContact CG-CB 4.49Å; F964-V1045 HydrophobicContact CG-CG1 4.28Å; Y965-V1045 HydrophobicContact CE2-CG2 3.96Å; Y965-V1045 VanDerWaalsContact OH-CG2 3.23Å; Y965-V1045 WeakPolarHBondContact OH-CG2 2.94Å; L1042-V1045 HydrophobicContact CB-CG2 3.75Å; L1042-V1045 HydrophobicContact CD1-CG2 4.1Å; L1042-V1045 PolarHBondContact O-N 2.85Å; L1042-V1045 VanDerWaalsContact O-N 3.15Å; V1045-K1107 WeakPolarHBondContact O-CB 3.38Å; V1045-K1107 VanDerWaalsContact O-CG 3.29Å; V1045-K1107 WeakPolarHBondContact O-CG 3.43Å; V1045-K1107 PolarHBondContact O-N 2.85Å
1046M84.8Confident79Confident5 Ų539.1 Ų39.13%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-117.1146178-64.7163175.600112.6V974 F1041 L1042 L1104 F1105 K1107V974-M1046 HydrophobicContact CG1-CE 3.84Å; V974-M1046 HydrophobicContact CG2-CE 4.23Å; F1041-M1046 HydrophobicContact CD2-CB 4.01Å; F1041-M1046 HydrophobicContact CD2-SD 4.44Å; F1041-M1046 HydrophobicContact CE2-CB 3.86Å; F1041-M1046 WeakPolarHBondContact CE2-O 3.16Å; L1042-M1046 HydrophobicContact CB-CE 4.43Å; L1042-M1046 HydrophobicContact CB-CG 4.41Å; L1042-M1046 HydrophobicContact CB-SD 3.86Å; L1042-M1046 HydrophobicContact CD1-CE 4.19Å; L1042-M1046 HydrophobicContact CG-CE 4.14Å; L1042-M1046 HydrophobicContact CG-SD 4.07Å; L1042-M1046 PolarHBondContact N-SD 2.81Å; L1042-M1046 WeakPolarHBondContact O-CB 3.37Å; L1042-M1046 PolarHBondContact O-N 2.76Å; M1046-L1104 HydrophobicContact CB-CD2 4.13Å; M1046-L1104 HydrophobicContact CE-CD1 4.14Å; M1046-L1104 HydrophobicContact CG-CD2 4.28Å; M1046-L1104 HydrophobicContact SD-CD1 3.97Å; M1046-L1104 HydrophobicContact SD-CD2 3.76Å; M1046-L1104 HydrophobicContact SD-CG 4.47Å; M1046-F1105 CarbonylContact C-O 3.6Å; M1046-F1105 VanDerWaalsContact CA-O 3.27Å; M1046-F1105 WeakPolarHBondContact CA-O 3.25Å; M1046-K1107 WeakPolarHBondContact O-CE 3.07Å
1047Y89.8Confident79.2Confident20 Ų2035.5 Ų35.58%0.07819%0.189CC..EExtended strand (participates in β ladder)trans-97.8162.3148-54.3-66000108.9G1002 A1003 L1064 F1075 F1105 K1107G1002-Y1047 WeakPolarHBondContact CA-OH 3.39Å; A1003-Y1047 HydrophobicContact CB-CD1 4.43Å; A1003-Y1047 HydrophobicContact CB-CD2 4.46Å; A1003-Y1047 HydrophobicContact CB-CE1 3.95Å; A1003-Y1047 HydrophobicContact CB-CE2 3.97Å; A1003-Y1047 PolarHBondContact N-OH 2.82Å; Y1047-L1064 HydrophobicContact CD2-CD2 4.08Å; Y1047-F1075 HydrophobicContact CE2-CB 4.04Å; Y1047-F1075 WeakPolarHBondContact CE2-O 3.25Å; Y1047-F1105 PolarHBondContact N-O 3.14Å; Y1047-F1105 PolarHBondContact O-N 3.07Å; Y1047-K1107 HydrophobicContact CD1-CD 4.42Å; Y1047-K1107 HydrophobicContact CD1-CG 4.43Å; Y1047-K1107 HydrophobicContact CD2-CG 3.77Å; Y1047-K1107 HydrophobicContact CE1-CD 3.94Å; Y1047-K1107 HydrophobicContact CE1-CG 4.21Å; Y1047-K1107 HydrophobicContact CE2-CB 4.23Å; Y1047-K1107 HydrophobicContact CE2-CD 4.06Å; Y1047-K1107 HydrophobicContact CE2-CG 3.52Å; Y1047-K1107 HydrophobicContact CG-CG 4.2Å
1048C90.5Very high79.7Confident0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-132.9155.6159.6114.60000110.3L1028 C1033 L1037 F1041 V1102 A1103 L1104L1028-C1048 PolarHBondContact N-O 2.88Å; C1033-C1048 HydrophobicContact CB-CB 4.24Å; C1033-C1048 PolarHBondContact SG-SG 2.74Å; L1037-C1048 HydrophobicContact CD1-CB 3.94Å; F1041-C1048 HydrophobicContact CD2-CB 4.3Å; F1041-C1048 HydrophobicContact CE2-CB 4.36Å; C1048-V1102 VanDerWaalsContact SG-CG1 3.55Å; C1048-A1103 WeakPolarHBondContact CA-O 3.43Å; C1048-A1103 VanDerWaalsContact CB-O 3.29Å; C1048-A1103 WeakPolarHBondContact CB-O 3.37Å; C1048-L1104 HydrophobicContact CB-CD2 3.8Å
1049G91.3Very high80.3Confident0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-156164.3179.800000111.7Q1026 A1103Q1026-G1049 CarbonylContact O-C 3.59Å; Q1026-G1049 WeakPolarHBondContact O-CA 3.13Å; G1049-A1103 PolarHBondContact N-O 3.22Å; G1049-A1103 PolarHBondContact O-N 3.23Å
1050V89.4Confident81.3Confident25 Ų2533.9 Ų33.915%0.15217%0.171CC..EExtended strand (participates in β ladder)trans-103.2140.9178.2-171.90000109.7Y1025 Q1026 L1028 E1100Y1025-V1050 WeakPolarHBondContact CA-O 3.46Å; Y1025-V1050 WeakPolarHBondContact CD1-O 3.2Å; Q1026-V1050 PolarHBondContact N-O 2.99Å; Q1026-V1050 PolarHBondContact O-N 2.95Å; L1028-V1050 HydrophobicContact CD1-CG2 3.95Å; L1028-V1050 HydrophobicContact CD2-CG2 4.28Å; L1028-V1050 HydrophobicContact CG-CG2 4.21Å; V1050-E1100 HydrophobicContact CG1-CB 3.84Å; V1050-E1100 HydrophobicContact CG1-CG 4.1Å
1051G84.4Confident82.3Confident10 Ų1027.8 Ų27.810%0.10314%0.144CC..EExtended strand (participates in β ladder)trans-162.1175.7173.400000111.8D1101G1051-D1101 PolarHBondContact N-O 2.93Å; G1051-D1101 PolarHBondContact O-N 2.95Å
1052Q77.3Confident82.9Confident70 Ų7027.4 Ų27.433%0.32714%0.142SC..EExtended strand (participates in β ladder)trans-64.7134.4179.5-68.6166.3-37.700111.5D801 I1023 V1055D801-Q1052 PolarHBondContact O-NE2 2.85Å; I1023-Q1052 HydrophobicContact CG2-CB 4.41Å; Q1052-V1055 HydrophobicContact CB-CG2 4.06Å
1053K72.6Confident83.6Confident49 Ų4927 Ų2721%0.21314%0.14CC..SBendtrans-77.2159.5173.1-169-175.3-165.973.10111.7V1055 S1083 P1099 D1101K1053-V1055 PolarHBondContact O-N 2.84Å; K1053-S1083 PolarHBondContact NZ-OG 2.77Å; K1053-P1099 HydrophobicContact CB-CG 4.18Å; K1053-P1099 WeakPolarHBondContact CB-O 3.47Å; K1053-P1099 HydrophobicContact CD-CB 4.11Å; K1053-P1099 HydrophobicContact CD-CG 3.78Å; K1053-P1099 PolarHBondContact N-O 2.93Å; K1053-D1101 HydrophobicContact CB-CB 4.08Å; K1053-D1101 WeakPolarHBondContact CD-OD1 3.19Å; K1053-D1101 HydrophobicContact CG-CB 4.31Å; K1053-D1101 IonicContact NZ-OD1 2.97Å; K1053-D1101 PolarHBondContact NZ-OD1 3.22Å; K1053-D1101 IonicContact NZ-OD2 3.62Å; K1053-D1101 PolarHBondContact NZ-OD2 3.19Å
1054N70.3Confident84.5Confident134 Ų13426.7 Ų26.772%0.71714%0.138SC*.SBendtrans60.7-6.6169.7-66.2-10.8000117.9
1055V77.7Confident85.6Confident20 Ų2025.8 Ų25.812%0.12113%0.132CC..SBendtrans-70.6-33.1178.5172.60000112.6H802 C1015 I1023 Q1052 K1053H802-V1055 HydrophobicContact CB-CG1 3.45Å; H802-V1055 VanDerWaalsContact CB-CG1 3.45Å; C1015-V1055 VanDerWaalsContact CA-O 3.26Å; C1015-V1055 WeakPolarHBondContact CA-O 3.39Å; C1015-V1055 WeakPolarHBondContact CB-O 3.06Å; I1023-V1055 HydrophobicContact CD1-CB 3.52Å; I1023-V1055 HydrophobicContact CD1-CG1 3.48Å; I1023-V1055 VanDerWaalsContact CD1-CG1 3.48Å; I1023-V1055 HydrophobicContact CG1-CB 4.41Å; I1023-V1055 HydrophobicContact CG1-CG1 3.88Å; Q1052-V1055 HydrophobicContact CB-CG2 4.06Å; K1053-V1055 PolarHBondContact O-N 2.84Å
1056L83.3Confident86.3Confident18 Ų1825.3 Ų25.39%0.09413%0.129CC..SBendtrans-91.7131.2173.8-69.9178.6000112V1011 V1014 V1021 I1023 P1059V1011-L1056 HydrophobicContact CB-CD1 4.4Å; V1011-L1056 HydrophobicContact CG1-CD1 3.68Å; V1014-L1056 CarbonylContact O-C 3.56Å; V1014-L1056 WeakPolarHBondContact O-CA 3.3Å; V1021-L1056 HydrophobicContact CG2-CD2 3.55Å; I1023-L1056 HydrophobicContact CD1-CD1 4.25Å; I1023-L1056 HydrophobicContact CD1-CD2 4.27Å; I1023-L1056 HydrophobicContact CD1-CG 3.68Å; I1023-L1056 HydrophobicContact CG1-CG 4.44Å; L1056-P1059 HydrophobicContact CB-CB 3.76Å; L1056-P1059 HydrophobicContact CB-CG 4.33Å; L1056-P1059 HydrophobicContact CD1-CB 3.82Å; L1056-P1059 HydrophobicContact CG-CB 4.44Å
1057E82.8Confident86.4Confident36 Ų3628.8 Ų28.817%0.16815%0.145CC..BIsolated β-bridgetrans-84.9137161.9-151.7-174.3-171.400108.9R942 V1014R942-E1057 IonicContact CZ-OE1 2.66Å; R942-E1057 IonicContact CZ-OE2 3.77Å; R942-E1057 IonicContact NE-OE2 2.84Å; R942-E1057 IonicContact NH2-OE1 2.82Å; R942-E1057 PolarHBondContact NH2-OE1 2.66Å; R942-E1057 IonicContact NH2-OE2 3.96Å; R942-E1057 PolarHBondContact NH2-OE2 2.95Å; V1014-E1057 HydrophobicContact CG2-CB 4.34Å; V1014-E1057 PolarHBondContact O-N 2.87Å
1058Y87.2Confident85.8Confident82 Ų8228.9 Ų28.932%0.32215%0.149SC..SBendtrans46.850.4-179.1-46.3-66.5000115.7P899 T902 L940 V1060P899-Y1058 HydrophobicContact CB-CD2 4.19Å; P899-Y1058 HydrophobicContact CB-CE1 4.45Å; P899-Y1058 HydrophobicContact CB-CE2 3.85Å; P899-Y1058 HydrophobicContact CG-CE1 4.26Å; P899-Y1058 HydrophobicContact CG-CE2 3.78Å; T902-Y1058 PolarHBondContact N-O 2.87Å; T902-Y1058 PolarHBondContact OG1-O 3.48Å; L940-Y1058 HydrophobicContact CD2-CD2 4.17Å; L940-Y1058 HydrophobicContact CD2-CE2 4.01Å; Y1058-V1060 VanDerWaalsContact C-N 3.26Å; Y1058-V1060 PolarHBondContact O-N 2.89Å
1059P89.7Confident84.8Confident29 Ų2932.1 Ų32.119%0.18817%0.172CC..  trans-68.8-15.9-17327.5-36.2000115.1L1056 G1061 S1062 Y1078L1056-P1059 HydrophobicContact CB-CB 3.76Å; L1056-P1059 HydrophobicContact CB-CG 4.33Å; L1056-P1059 HydrophobicContact CD1-CB 3.82Å; L1056-P1059 HydrophobicContact CG-CB 4.44Å; P1059-G1061 PolarHBondContact O-N 2.9Å; P1059-S1062 VanDerWaalsContact O-CB 3.22Å; P1059-S1062 WeakPolarHBondContact O-CB 3.12Å; P1059-S1062 PolarHBondContact O-N 2.88Å; P1059-S1062 PolarHBondContact O-OG 2.83Å; P1059-Y1078 HydrophobicContact CB-CD1 4.05Å; P1059-Y1078 HydrophobicContact CB-CE1 3.86Å; P1059-Y1078 HydrophobicContact CB-CE2 4.37Å; P1059-Y1078 HydrophobicContact CB-CG 4.4Å; P1059-Y1078 HydrophobicContact CG-CE1 3.95Å; P1059-Y1078 WeakPolarHBondContact O-CB 3.28Å; P1059-Y1078 WeakPolarHBondContact O-CD1 3.43Å
1060V90.8Very high83.8Confident33 Ų3335.1 Ų35.120%0.220%0.203CC..THydrogen-bonded Turntrans-55.8133.9175.3-175.20000108.4C901 T902 A920 R922 C923 Y1058 S1062C901-V1060 HydrophobicContact CB-CB 4.07Å; C901-V1060 HydrophobicContact CB-CG1 4.44Å; C901-V1060 VanDerWaalsContact CB-O 3.28Å; C901-V1060 WeakPolarHBondContact CB-O 3.49Å; T902-V1060 PolarHBondContact N-O 2.82Å; A920-V1060 HydrophobicContact CB-CG1 4.08Å; R922-V1060 HydrophobicContact CB-CG1 4.36Å; R922-V1060 HydrophobicContact CG-CG1 4.27Å; C923-V1060 HydrophobicContact CB-CG1 4.04Å; Y1058-V1060 VanDerWaalsContact C-N 3.26Å; Y1058-V1060 PolarHBondContact O-N 2.89Å; V1060-S1062 VanDerWaalsContact C-N 3.28Å; V1060-S1062 PolarHBondContact O-N 2.97Å
1061G91.1Very high83.2Confident0 Ų037.3 Ų37.30%022%0.219CC..THydrogen-bonded Turntrans82.6-9-178.200000115.7T902 T919 P1059 I1077 Y1078T902-G1061 CarbonylContact O-C 3.55Å; T902-G1061 VanDerWaalsContact O-CA 3.3Å; T902-G1061 WeakPolarHBondContact O-CA 3.45Å; T919-G1061 WeakPolarHBondContact OG1-CA 3.48Å; P1059-G1061 PolarHBondContact O-N 2.9Å; G1061-I1077 VanDerWaalsContact CA-CG2 3.4Å; G1061-I1077 WeakPolarHBondContact O-CG2 3.1Å; G1061-Y1078 PolarHBondContact N-O 3.33Å
1062S91.7Very high83.2Confident0 Ų038.6 Ų38.60%022%0.221CC..  trans-62.2143.3176.2-79.10000112.9S1012 P1059 V1060 Y1078S1012-S1062 WeakPolarHBondContact O-CB 3.22Å; S1012-S1062 PolarHBondContact O-OG 2.96Å; P1059-S1062 VanDerWaalsContact O-CB 3.22Å; P1059-S1062 WeakPolarHBondContact O-CB 3.12Å; P1059-S1062 PolarHBondContact O-N 2.88Å; P1059-S1062 PolarHBondContact O-OG 2.83Å; V1060-S1062 VanDerWaalsContact C-N 3.28Å; V1060-S1062 PolarHBondContact O-N 2.97Å; S1062-Y1078 PolarHBondContact O-N 2.76Å
1063P92.6Very high83.6Confident0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-73.4136.2-18028.7-34.9000112.9T904 V1011 L1065 Q1074T904-P1063 WeakPolarHBondContact OG1-CB 3.38Å; T904-P1063 WeakPolarHBondContact OG1-CD 3.48Å; T904-P1063 VanDerWaalsContact OG1-CG 3.29Å; T904-P1063 WeakPolarHBondContact OG1-CG 3.28Å; V1011-P1063 WeakPolarHBondContact CA-O 3.41Å; P1063-L1065 HydrophobicContact CB-CD2 3.83Å; P1063-L1065 HydrophobicContact CB-CG 4.08Å; P1063-L1065 HydrophobicContact CG-CD1 4.48Å; P1063-L1065 HydrophobicContact CG-CD2 4.37Å; P1063-L1065 HydrophobicContact CG-CG 4.29Å; P1063-Q1074 HydrophobicContact CB-CG 3.78Å
1064L93.4Very high84.5Confident0 Ų033.9 Ų33.90%020%0.201CC..EExtended strand (participates in β ladder)trans-88.5103.5162.8177.269.7000109.4C1009 V1011 L1027 Y1047 Q1074 F1075 G1076 F1105C1009-L1064 HydrophobicContact CB-CD1 3.95Å; V1011-L1064 HydrophobicContact CG2-CD1 4.19Å; L1027-L1064 HydrophobicContact CD1-CD2 4.36Å; L1027-L1064 HydrophobicContact CD2-CD1 4.35Å; L1027-L1064 HydrophobicContact CD2-CD2 4.02Å; Y1047-L1064 HydrophobicContact CD2-CD2 4.08Å; L1064-Q1074 CarbonylContact O-C 3.57Å; L1064-Q1074 WeakPolarHBondContact O-CA 3.41Å; L1064-F1075 PolarHBondContact O-N 3.2Å; L1064-G1076 PolarHBondContact N-O 3.22Å; L1064-F1105 HydrophobicContact CB-CD1 3.73Å; L1064-F1105 HydrophobicContact CB-CE1 4.07Å; L1064-F1105 HydrophobicContact CB-CG 4.34Å; L1064-F1105 HydrophobicContact CD1-CD1 4.19Å; L1064-F1105 HydrophobicContact CD1-CE1 3.94Å; L1064-F1105 HydrophobicContact CD1-CE2 4.39Å; L1064-F1105 HydrophobicContact CD1-CZ 4.04Å; L1064-F1105 HydrophobicContact CD2-CB 3.97Å; L1064-F1105 HydrophobicContact CD2-CD1 4.03Å; L1064-F1105 HydrophobicContact CD2-CD2 4.16Å; L1064-F1105 HydrophobicContact CD2-CG 3.79Å; L1064-F1105 HydrophobicContact CG-CD1 4.19Å; L1064-F1105 HydrophobicContact CG-CE1 4.41Å; L1064-F1105 HydrophobicContact CG-CG 4.44Å
1065L91.8Very high85.4Confident0 Ų027.7 Ų27.70%017%0.167CC..EExtended strand (participates in β ladder)trans-99.3112.5-177.4-56.8178.9000109.9P882 F994 C1009 Y1010 P1063 W1072 Q1074P882-L1065 HydrophobicContact CB-CD1 3.75Å; P882-L1065 HydrophobicContact CG-CD1 4.09Å; F994-L1065 HydrophobicContact CB-CD2 3.83Å; F994-L1065 HydrophobicContact CD1-CD1 4.25Å; F994-L1065 HydrophobicContact CD1-CD2 3.74Å; F994-L1065 HydrophobicContact CD2-CD1 4.11Å; F994-L1065 HydrophobicContact CD2-CD2 3.58Å; F994-L1065 HydrophobicContact CD2-CG 4.5Å; F994-L1065 HydrophobicContact CE1-CD1 3.81Å; F994-L1065 HydrophobicContact CE1-CD2 4.18Å; F994-L1065 HydrophobicContact CE2-CD1 3.66Å; F994-L1065 HydrophobicContact CE2-CD2 4.03Å; F994-L1065 HydrophobicContact CG-CD1 4.39Å; F994-L1065 HydrophobicContact CG-CD2 3.41Å; F994-L1065 VanDerWaalsContact CG-CD2 3.41Å; F994-L1065 HydrophobicContact CZ-CD1 3.49Å; F994-L1065 VanDerWaalsContact CZ-CD1 3.49Å; F994-L1065 HydrophobicContact CZ-CD2 4.31Å; C1009-L1065 CarbonylContact C-O 3.6Å; C1009-L1065 VanDerWaalsContact CA-O 3.27Å; C1009-L1065 WeakPolarHBondContact CA-O 3.41Å; Y1010-L1065 PolarHBondContact N-O 3.5Å; Y1010-L1065 PolarHBondContact O-N 2.82Å; P1063-L1065 HydrophobicContact CB-CD2 3.83Å; P1063-L1065 HydrophobicContact CB-CG 4.08Å; P1063-L1065 HydrophobicContact CG-CD1 4.48Å; P1063-L1065 HydrophobicContact CG-CD2 4.37Å; P1063-L1065 HydrophobicContact CG-CG 4.29Å; L1065-W1072 HydrophobicContact CB-CE3 4.28Å; L1065-Q1074 HydrophobicContact CD2-CB 3.94Å; L1065-Q1074 HydrophobicContact CD2-CG 4.2Å
1066C90.7Very high86Confident0 Ų026.8 Ų26.80%016%0.162CC..EExtended strand (participates in β ladder)trans-112.3144.1175.8-56.70000112.2M1007 Q1008 C1009 S1068 V1073 F1075M1007-C1066 HydrophobicContact CB-CB 4.17Å; M1007-C1066 HydrophobicContact SD-CB 4.28Å; Q1008-C1066 CarbonylContact O-C 3.5Å; Q1008-C1066 VanDerWaalsContact O-CA 3.3Å; Q1008-C1066 WeakPolarHBondContact O-CA 3.3Å; C1009-C1066 HydrophobicContact CB-CB 4.07Å; C1009-C1066 WeakPolarHBondContact CB-SG 3.26Å; C1009-C1066 WeakPolarHBondContact SG-CB 3.16Å; C1009-C1066 CovalentContact SG-SG 2.04Å; C1009-C1066 PolarHBondContact SG-SG 3.2Å; C1066-S1068 PolarHBondContact O-N 3.13Å; C1066-V1073 PolarHBondContact N-O 2.96Å; C1066-V1073 PolarHBondContact O-N 2.95Å; C1066-V1073 VanDerWaalsContact O-N 3.08Å; C1066-F1075 HydrophobicContact CB-CD2 3.63Å; C1066-F1075 HydrophobicContact CB-CE2 3.96Å
1067Q86.3Confident86.4Confident78 Ų7825.9 Ų25.936%0.36416%0.157SC..EExtended strand (participates in β ladder)trans-73.3115.2175.5-161.6-166.48000109.6Q1008 W1072Q1008-Q1067 PolarHBondContact O-N 3Å; Q1067-W1072 HydrophobicContact CB-CE3 4.18Å; Q1067-W1072 HydrophobicContact CB-CH2 3.76Å; Q1067-W1072 HydrophobicContact CB-CZ2 4.2Å; Q1067-W1072 HydrophobicContact CB-CZ3 3.76Å; Q1067-W1072 HydrophobicContact CG-CH2 4.4Å; Q1067-W1072 HydrophobicContact CG-CZ2 4.36Å; Q1067-W1072 VanDerWaalsContact N-CZ3 3.29Å
1068S76.3Confident86.9Confident23 Ų2324.8 Ų24.816%0.16115%0.151CC..EExtended strand (participates in β ladder)trans-131.1122.9178.2178.40000109.5C1066 G1070 S1071C1066-S1068 PolarHBondContact O-N 3.13Å; S1068-G1070 PolarHBondContact O-N 2.94Å; S1068-S1071 PolarHBondContact N-O 3.3Å; S1068-S1071 PolarHBondContact O-N 3.41Å
1069S69.8Low87Confident68 Ų6821 Ų2148%0.47614%0.137SC..THydrogen-bonded Turntrans65.99.6178-26.90000116.5V552V552-S1069 WeakPolarHBondContact CG2-OG 3.28Å
1070G70Confident86.9Confident63 Ų6321.7 Ų21.765%0.64914%0.138SC*.THydrogen-bonded Turntrans85.627.4-166.900000113.5S1068S1068-G1070 PolarHBondContact O-N 2.94Å
1071S76.5Confident86.7Confident71 Ų7121.9 Ų21.950%0.49714%0.14SC..EExtended strand (participates in β ladder)trans-143.7151172.8-530000110S1068S1068-S1071 PolarHBondContact N-O 3.3Å; S1068-S1071 PolarHBondContact O-N 3.41Å
1072W85Confident86.1Confident36 Ų3624.4 Ų24.414%0.13615%0.151CC..EExtended strand (participates in β ladder)trans-81132.8174.4-64.6103.5000110.3H880 L881 P882 F994 P995 Y1010 L1065 Q1067H880-W1072 PolarHBondContact O-NE1 3.36Å; L881-W1072 HydrophobicContact CD2-CZ2 4.27Å; P882-W1072 HydrophobicContact CB-CD2 4.14Å; P882-W1072 HydrophobicContact CB-CG 4.01Å; P882-W1072 HydrophobicContact CG-CD2 4.14Å; P882-W1072 HydrophobicContact CG-CE3 4.34Å; F994-W1072 HydrophobicContact CD1-CB 4.08Å; F994-W1072 HydrophobicContact CE1-CB 4.13Å; P995-W1072 WeakPolarHBondContact CD-O 3.45Å; P995-W1072 WeakPolarHBondContact CG-O 3.22Å; Y1010-W1072 AromaticContact CD2-CH2 3.64Å; Y1010-W1072 HydrophobicContact CD2-CH2 3.64Å; Y1010-W1072 AromaticContact CD2-CZ3 3.78Å; Y1010-W1072 HydrophobicContact CD2-CZ3 3.78Å; Y1010-W1072 AromaticContact CE2-CH2 3.73Å; Y1010-W1072 HydrophobicContact CE2-CH2 3.73Å; Y1010-W1072 HydrophobicContact CE2-CZ3 4.31Å; L1065-W1072 HydrophobicContact CB-CE3 4.28Å; Q1067-W1072 HydrophobicContact CB-CE3 4.18Å; Q1067-W1072 HydrophobicContact CB-CH2 3.76Å; Q1067-W1072 HydrophobicContact CB-CZ2 4.2Å; Q1067-W1072 HydrophobicContact CB-CZ3 3.76Å; Q1067-W1072 HydrophobicContact CG-CH2 4.4Å; Q1067-W1072 HydrophobicContact CG-CZ2 4.36Å; Q1067-W1072 VanDerWaalsContact N-CZ3 3.29Å
1073V86Confident84.9Confident18 Ų1828.3 Ų28.311%0.10918%0.178CC..EExtended strand (participates in β ladder)trans-133132.1-176.5175.80000108.1P995 P997 C1066 F1075P995-V1073 HydrophobicContact CG-CG2 4.34Å; P995-V1073 WeakPolarHBondContact O-CG1 3.19Å; P997-V1073 HydrophobicContact CB-CG1 3.98Å; C1066-V1073 PolarHBondContact N-O 2.96Å; C1066-V1073 PolarHBondContact O-N 2.95Å; C1066-V1073 VanDerWaalsContact O-N 3.08Å; V1073-F1075 HydrophobicContact CB-CD2 3.99Å; V1073-F1075 HydrophobicContact CB-CE2 3.67Å; V1073-F1075 HydrophobicContact CB-CZ 4.41Å; V1073-F1075 HydrophobicContact CG1-CD2 3.88Å; V1073-F1075 HydrophobicContact CG1-CE2 3.67Å; V1073-F1075 HydrophobicContact CG1-CG 4.47Å; V1073-F1075 HydrophobicContact CG1-CZ 4.06Å; V1073-F1075 WeakPolarHBondContact O-CD2 3.4Å; V1073-F1075 PolarHBondContact O-N 2.85Å; V1073-F1075 VanDerWaalsContact O-N 3.15Å
1074Q90.5Very high83.2Confident3 Ų329.9 Ų29.91%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-82.692.2179.3-170.6-173.8-7.300109.9F994 P995 L996 P997 P1063 L1064 L1065 G1076 L1108F994-Q1074 HydrophobicContact CB-CB 3.93Å; P995-Q1074 PolarHBondContact O-N 3.21Å; L996-Q1074 HydrophobicContact CD2-CB 4.34Å; P997-Q1074 WeakPolarHBondContact CD-O 3.43Å; P1063-Q1074 HydrophobicContact CB-CG 3.78Å; L1064-Q1074 CarbonylContact O-C 3.57Å; L1064-Q1074 WeakPolarHBondContact O-CA 3.41Å; L1065-Q1074 HydrophobicContact CD2-CB 3.94Å; L1065-Q1074 HydrophobicContact CD2-CG 4.2Å; Q1074-G1076 VanDerWaalsContact C-N 3.31Å; Q1074-G1076 WeakPolarHBondContact CG-O 3.47Å; Q1074-G1076 PolarHBondContact NE2-O 2.87Å; Q1074-L1108 HydrophobicContact CG-CD1 3.86Å
1075F89.7Confident80.9Confident4 Ų441.7 Ų41.72%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-78.3-16-179-80.7-87.6000113.5P997 G1002 A1003 M1007 Y1047 L1064 C1066 V1073 L1108P997-F1075 HydrophobicContact CB-CD1 3.77Å; P997-F1075 HydrophobicContact CB-CE1 3.63Å; P997-F1075 HydrophobicContact CB-CZ 4.33Å; P997-F1075 HydrophobicContact CG-CD1 3.84Å; P997-F1075 HydrophobicContact CG-CE1 4.25Å; P997-F1075 HydrophobicContact CG-CG 4.42Å; G1002-F1075 VanDerWaalsContact C-CE1 3.47Å; A1003-F1075 HydrophobicContact CB-CB 4.07Å; A1003-F1075 HydrophobicContact CB-CD1 3.92Å; A1003-F1075 HydrophobicContact CB-CD2 4.41Å; A1003-F1075 HydrophobicContact CB-CE1 4.43Å; A1003-F1075 HydrophobicContact CB-CG 3.89Å; M1007-F1075 HydrophobicContact CE-CZ 4.32Å; M1007-F1075 HydrophobicContact SD-CE2 4.13Å; M1007-F1075 HydrophobicContact SD-CZ 4.16Å; Y1047-F1075 HydrophobicContact CE2-CB 4.04Å; Y1047-F1075 WeakPolarHBondContact CE2-O 3.25Å; L1064-F1075 PolarHBondContact O-N 3.2Å; C1066-F1075 HydrophobicContact CB-CD2 3.63Å; C1066-F1075 HydrophobicContact CB-CE2 3.96Å; V1073-F1075 HydrophobicContact CB-CD2 3.99Å; V1073-F1075 HydrophobicContact CB-CE2 3.67Å; V1073-F1075 HydrophobicContact CB-CZ 4.41Å; V1073-F1075 HydrophobicContact CG1-CD2 3.88Å; V1073-F1075 HydrophobicContact CG1-CE2 3.67Å; V1073-F1075 HydrophobicContact CG1-CG 4.47Å; V1073-F1075 HydrophobicContact CG1-CZ 4.06Å; V1073-F1075 WeakPolarHBondContact O-CD2 3.4Å; V1073-F1075 PolarHBondContact O-N 2.85Å; V1073-F1075 VanDerWaalsContact O-N 3.15Å; F1075-L1108 PolarHBondContact O-N 3.46Å
1076G91.1Very high78.6Confident0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-166.9-175.617900000115.5L1064 Q1074 V1106L1064-G1076 PolarHBondContact N-O 3.22Å; Q1074-G1076 VanDerWaalsContact C-N 3.31Å; Q1074-G1076 WeakPolarHBondContact CG-O 3.47Å; Q1074-G1076 PolarHBondContact NE2-O 2.87Å; G1076-V1106 CarbonylContact C-O 3.51Å; G1076-V1106 WeakPolarHBondContact CA-O 3.32Å
1077I92.1Very high75.8Confident0 Ų052.6 Ų52.60%030%0.301CS..EExtended strand (participates in β ladder)trans-125.5133.4177.6-45.1178.1000107.8V918 T919 A920 M976 G1061 D1079 F1105 V1106 L1108V918-I1077 HydrophobicContact CG1-CD1 3.57Å; V918-I1077 HydrophobicContact CG1-CG1 4.31Å; T919-I1077 WeakPolarHBondContact O-CD1 3.1Å; A920-I1077 HydrophobicContact CB-CG2 4.04Å; M976-I1077 HydrophobicContact CB-CD1 3.8Å; G1061-I1077 VanDerWaalsContact CA-CG2 3.4Å; G1061-I1077 WeakPolarHBondContact O-CG2 3.1Å; I1077-D1079 PolarHBondContact O-N 2.86Å; I1077-F1105 CarbonylContact O-C 3.51Å; I1077-F1105 WeakPolarHBondContact O-CA 3.47Å; I1077-V1106 HydrophobicContact CB-CB 4.39Å; I1077-V1106 PolarHBondContact N-O 2.8Å; I1077-V1106 PolarHBondContact O-N 3.25Å; I1077-L1108 HydrophobicContact CD1-CD1 4.46Å; I1077-L1108 HydrophobicContact CD1-CD2 4.1Å; I1077-L1108 HydrophobicContact CG1-CD1 3.81Å; I1077-L1108 HydrophobicContact CG1-CD2 4.18Å; I1077-L1108 HydrophobicContact CG1-CG 4.07Å
1078Y92.8Very high73.2Confident12 Ų1257.9 Ų57.95%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-64.9124.6172-170.2-70.2000109.9V1011 P1059 G1061 S1062 S1081 A1103 F1105V1011-Y1078 HydrophobicContact CG1-CD2 4.29Å; P1059-Y1078 HydrophobicContact CB-CD1 4.05Å; P1059-Y1078 HydrophobicContact CB-CE1 3.86Å; P1059-Y1078 HydrophobicContact CB-CE2 4.37Å; P1059-Y1078 HydrophobicContact CB-CG 4.4Å; P1059-Y1078 HydrophobicContact CG-CE1 3.95Å; P1059-Y1078 WeakPolarHBondContact O-CB 3.28Å; P1059-Y1078 WeakPolarHBondContact O-CD1 3.43Å; G1061-Y1078 PolarHBondContact N-O 3.33Å; S1062-Y1078 PolarHBondContact O-N 2.76Å; Y1078-S1081 WeakPolarHBondContact OH-CB 3.42Å; Y1078-S1081 PolarHBondContact OH-OG 2.7Å; Y1078-A1103 HydrophobicContact CD2-CB 4.2Å; Y1078-A1103 HydrophobicContact CE2-CB 3.62Å; Y1078-F1105 HydrophobicContact CD2-CD1 4.43Å; Y1078-F1105 AromaticContact CD2-CE1 3.63Å; Y1078-F1105 HydrophobicContact CD2-CE1 3.63Å; Y1078-F1105 HydrophobicContact CD2-CZ 4.05Å; Y1078-F1105 HydrophobicContact CG-CE1 4.19Å
1079D89.7Confident71.1Confident2 Ų260.9 Ų60.91%0.01134%0.344CS..EExtended strand (participates in β ladder)trans-101.1-60.5179-165.894.3000110.9R922 I1077 L1104 V1106R922-D1079 WeakPolarHBondContact CD-O 3.3Å; R922-D1079 IonicContact CZ-OD2 3.72Å; R922-D1079 IonicContact NE-OD2 3.77Å; R922-D1079 PolarHBondContact NE-OD2 2.74Å; R922-D1079 IonicContact NH2-OD2 2.71Å; I1077-D1079 PolarHBondContact O-N 2.86Å; D1079-L1104 PolarHBondContact N-O 2.98Å; D1079-V1106 HydrophobicContact CB-CG2 4.29Å
1080H87.3Confident69.3Low45 Ų4564.6 Ų64.621%0.20836%0.364CS..EExtended strand (participates in β ladder)trans-161.5169.4174.461.1-83000110.8F1082 L1104H1080-F1082 AromaticContact CD2-CE2 3.71Å; H1080-F1082 AromaticContact CD2-CZ 3.61Å; H1080-F1082 AromaticContact NE2-CE1 3.96Å; H1080-F1082 AromaticContact NE2-CE2 3.38Å; H1080-F1082 WeakPolarHBondContact NE2-CE2 3.28Å; H1080-F1082 AromaticContact NE2-CZ 3.11Å; H1080-F1082 WeakPolarHBondContact NE2-CZ 3.46Å; H1080-L1104 PolarHBondContact O-N 3.28Å
1081S85.9Confident67.5Low37 Ų3765.3 Ų65.326%0.25937%0.372SS..EExtended strand (participates in β ladder)trans-118.2162.7170.259.30000112.9Y1078 D1101 V1102Y1078-S1081 WeakPolarHBondContact OH-CB 3.42Å; Y1078-S1081 PolarHBondContact OH-OG 2.7Å; S1081-D1101 VanDerWaalsContact CB-OD2 3.23Å; S1081-D1101 WeakPolarHBondContact CB-OD2 3.45Å; S1081-D1101 PolarHBondContact OG-OD2 2.92Å; S1081-V1102 WeakPolarHBondContact CA-O 3.33Å
1082F78.8Confident65.3Low53 Ų5371.4 Ų71.423%0.23239%0.393CS..EExtended strand (participates in β ladder)trans-115.9133.4165.6-57.7-86000109.4L1037 K1040 H1080 A1084 V1102 L1104L1037-F1082 HydrophobicContact CD1-CD2 4.49Å; L1037-F1082 HydrophobicContact CD1-CE2 4.45Å; L1037-F1082 HydrophobicContact CD2-CB 4.34Å; L1037-F1082 HydrophobicContact CD2-CD2 3.38Å; L1037-F1082 HydrophobicContact CD2-CE2 3.89Å; L1037-F1082 HydrophobicContact CD2-CG 4.07Å; K1040-F1082 HydrophobicContact CD-CE1 3.9Å; K1040-F1082 HydrophobicContact CD-CZ 3.72Å; H1080-F1082 AromaticContact CD2-CE2 3.71Å; H1080-F1082 AromaticContact CD2-CZ 3.61Å; H1080-F1082 AromaticContact NE2-CE1 3.96Å; H1080-F1082 AromaticContact NE2-CE2 3.38Å; H1080-F1082 WeakPolarHBondContact NE2-CE2 3.28Å; H1080-F1082 AromaticContact NE2-CZ 3.11Å; H1080-F1082 WeakPolarHBondContact NE2-CZ 3.46Å; F1082-A1084 PolarHBondContact O-N 2.97Å; F1082-V1102 PolarHBondContact N-O 3.22Å; F1082-V1102 PolarHBondContact O-N 2.98Å; F1082-L1104 HydrophobicContact CE2-CD1 3.79Å; F1082-L1104 HydrophobicContact CE2-CG 4.27Å; F1082-L1104 HydrophobicContact CZ-CD1 4.47Å
1083S66.4Low62.9Low81 Ų8175 Ų7557%0.56642%0.423SS*.EExtended strand (participates in β ladder)trans-55.2123.5166.4-52.80000109.7K1053 R1085 D1101K1053-S1083 PolarHBondContact NZ-OG 2.77Å; S1083-R1085 PolarHBondContact O-N 3.32Å; S1083-R1085 VanDerWaalsContact O-N 3.11Å; S1083-D1101 VanDerWaalsContact CA-OD1 3.31Å; S1083-D1101 WeakPolarHBondContact CA-OD1 3.25Å
1084A56.6Low60.2Low33 Ų3383.3 Ų83.327%0.27346%0.461SS..  trans-59.5118.1174.100000109.4F1082 H1086 E1100F1082-A1084 PolarHBondContact O-N 2.97Å; A1084-H1086 VanDerWaalsContact C-N 3.29Å; A1084-H1086 PolarHBondContact O-N 2.7Å; A1084-E1100 VanDerWaalsContact CB-O 3.25Å; A1084-E1100 WeakPolarHBondContact CB-O 3.27Å; A1084-E1100 PolarHBondContact N-O 3.39Å
1085R46.3Very low57.6Low249 Ų24990.4 Ų90.494%0.9450%0.499SS*.  trans-70.386.8174.3-82.3-172.7171.4-176.9-2.4109.6S1083 S1087S1083-R1085 PolarHBondContact O-N 3.32Å; S1083-R1085 VanDerWaalsContact O-N 3.11Å; R1085-S1087 PolarHBondContact O-N 3.22Å
1086H43.5Very low54.8Low106 Ų10699.6 Ų99.649%0.49154%0.542SS..  trans-61106.8166.9-69.6-40.7000109.6A1084 Y1088A1084-H1086 VanDerWaalsContact C-N 3.29Å; A1084-H1086 PolarHBondContact O-N 2.7Å; H1086-Y1088 HydrophobicContact CB-CD2 3.5Å; H1086-Y1088 VanDerWaalsContact CB-CD2 3.5Å; H1086-Y1088 HydrophobicContact CB-CE2 3.39Å; H1086-Y1088 HydrophobicContact CB-CG 4.35Å; H1086-Y1088 AromaticContact CD2-CE2 3.64Å; H1086-Y1088 AromaticContact CG-CE2 3.7Å; H1086-Y1088 PolarHBondContact O-N 2.04Å
1087S31Very low52.3Low123 Ų123107.1 Ų107.186%0.8658%0.581SS**  trans-76.767.6170.761.60000110R1085R1085-S1087 PolarHBondContact O-N 3.22Å
1088Y31.9Very low50Low188 Ų188110.3 Ų110.374%0.73760%0.602SS**  trans-68.6131.2176.4-79.7-65.5000111.2H1086H1086-Y1088 HydrophobicContact CB-CD2 3.5Å; H1086-Y1088 VanDerWaalsContact CB-CD2 3.5Å; H1086-Y1088 HydrophobicContact CB-CE2 3.39Å; H1086-Y1088 HydrophobicContact CB-CG 4.35Å; H1086-Y1088 AromaticContact CD2-CE2 3.64Å; H1086-Y1088 AromaticContact CG-CE2 3.7Å; H1086-Y1088 PolarHBondContact O-N 2.04Å
1089A31.8Very low48Very low86 Ų86113 Ų11371%0.71162%0.621SS**  trans-119.696.4161.600000108
1090T32.7Very low46.8Very low146 Ų146118.4 Ų118.490%0.89665%0.646SS**SBendtrans51.3122.3158.357.60000119.6
1091G32.1Very low46.3Very low79 Ų79116.4 Ų116.481%0.81464%0.637SS**  trans144.177.3152.700000117.2
1092Q30.6Very low46.3Very low199 Ų199115 Ų11593%0.9363%0.627SS**  trans-1.7118.6159.8-65.8165.1-50.700119.4
1093S34.7Very low46.8Very low110 Ų110112.4 Ų112.477%0.76962%0.616SS**  -161.3129.4127.9620000109N1095S1093-N1095 PolarHBondContact O-N 2.9Å
1094E28.7Very low48Very low193 Ų193108.7 Ų108.790%0.90259%0.589SS**  trans-74.3115.9-175.4-69.8151.714600111.5
1095N35.2Very low49.7Very low153 Ų153107.1 Ų107.182%0.81858%0.576SS**  trans-173.487.8164.5-93.6-47000105.4S1093 L1097S1093-N1095 PolarHBondContact O-N 2.9Å; N1095-L1097 PolarHBondContact O-N 3.24Å; N1095-L1097 VanDerWaalsContact O-N 3.09Å
1096E31.2Very low51.7Low197 Ų19795.3 Ų95.392%0.92153%0.532SS*.  trans-70.1106.6-173.8-71.4-166.5110.700111.3
1097L39.9Very low53.7Low157 Ų15790.8 Ų90.882%0.82251%0.511SS*.PPolyproline II helixtrans-63.3127.7162.3-80.8156.4000108.5N1095N1095-L1097 PolarHBondContact O-N 3.24Å; N1095-L1097 VanDerWaalsContact O-N 3.09Å
1098P43.1Very low56Low67 Ų6785 Ų8544%0.43547%0.47SS..PPolyproline II helixtrans-60.9135.5-178.323.3-32.9000110.2E1100P1098-E1100 PolarHBondContact O-N 3.16Å
1099P51Low57.7Low68 Ų6877 Ų7744%0.44244%0.439SS..PPolyproline II helixtrans-62.4130.2-169.820.4-31.3000112.4K1053K1053-P1099 HydrophobicContact CB-CG 4.18Å; K1053-P1099 WeakPolarHBondContact CB-O 3.47Å; K1053-P1099 HydrophobicContact CD-CB 4.11Å; K1053-P1099 HydrophobicContact CD-CG 3.78Å; K1053-P1099 PolarHBondContact N-O 2.93Å
1100E64.8Low58.8Low116 Ų11674.4 Ų74.454%0.54242%0.421SS..EExtended strand (participates in β ladder)trans-76.8131.6171.7-70.4-171.615500111V1050 A1084 P1098V1050-E1100 HydrophobicContact CG1-CB 3.84Å; V1050-E1100 HydrophobicContact CG1-CG 4.1Å; A1084-E1100 VanDerWaalsContact CB-O 3.25Å; A1084-E1100 WeakPolarHBondContact CB-O 3.27Å; A1084-E1100 PolarHBondContact N-O 3.39Å; P1098-E1100 PolarHBondContact O-N 3.16Å
1101D75.5Confident59.7Low4 Ų469.1 Ų69.12%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-109.9136.8175.9-106.128000111.4G1051 K1053 S1081 S1083 A1103G1051-D1101 PolarHBondContact N-O 2.93Å; G1051-D1101 PolarHBondContact O-N 2.95Å; K1053-D1101 HydrophobicContact CB-CB 4.08Å; K1053-D1101 WeakPolarHBondContact CD-OD1 3.19Å; K1053-D1101 HydrophobicContact CG-CB 4.31Å; K1053-D1101 IonicContact NZ-OD1 2.97Å; K1053-D1101 PolarHBondContact NZ-OD1 3.22Å; K1053-D1101 IonicContact NZ-OD2 3.62Å; K1053-D1101 PolarHBondContact NZ-OD2 3.19Å; S1081-D1101 VanDerWaalsContact CB-OD2 3.23Å; S1081-D1101 WeakPolarHBondContact CB-OD2 3.45Å; S1081-D1101 PolarHBondContact OG-OD2 2.92Å; S1083-D1101 VanDerWaalsContact CA-OD1 3.31Å; S1083-D1101 WeakPolarHBondContact CA-OD1 3.25Å; D1101-A1103 PolarHBondContact O-N 2.92Å
1102V86.1Confident60.8Low6 Ų665.6 Ų65.64%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-91.3101.5173.9-174.10000108.2H1036 L1037 C1048 S1081 F1082H1036-V1102 HydrophobicContact CB-CG1 4.37Å; H1036-V1102 HydrophobicContact CB-CG2 4.48Å; L1037-V1102 HydrophobicContact CD1-CG1 4.08Å; L1037-V1102 HydrophobicContact CD2-CB 4.25Å; L1037-V1102 HydrophobicContact CD2-CG1 3.82Å; L1037-V1102 HydrophobicContact CG-CG1 4.04Å; C1048-V1102 VanDerWaalsContact SG-CG1 3.55Å; S1081-V1102 WeakPolarHBondContact CA-O 3.33Å; F1082-V1102 PolarHBondContact N-O 3.22Å; F1082-V1102 PolarHBondContact O-N 2.98Å
1103A90.5Very high61.7Low0 Ų056.3 Ų56.30%031%0.312CS..EExtended strand (participates in β ladder)trans-86.7138.9-179.300000112.1Y1025 C1048 G1049 Y1078 D1101 F1105Y1025-A1103 HydrophobicContact CD1-CB 4.29Å; Y1025-A1103 HydrophobicContact CE1-CB 3.61Å; C1048-A1103 WeakPolarHBondContact CA-O 3.43Å; C1048-A1103 VanDerWaalsContact CB-O 3.29Å; C1048-A1103 WeakPolarHBondContact CB-O 3.37Å; G1049-A1103 PolarHBondContact N-O 3.22Å; G1049-A1103 PolarHBondContact O-N 3.23Å; Y1078-A1103 HydrophobicContact CD2-CB 4.2Å; Y1078-A1103 HydrophobicContact CE2-CB 3.62Å; D1101-A1103 PolarHBondContact O-N 2.92Å; A1103-F1105 HydrophobicContact CB-CE2 3.73Å; A1103-F1105 HydrophobicContact CB-CZ 3.77Å
1104L90.6Very high62.3Low3 Ų352.8 Ų52.82%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-95.4136.3167.2-81.4178.8000110.7L1037 F1041 M1046 C1048 D1079 H1080 F1082L1037-L1104 HydrophobicContact CD1-CD1 4.39Å; L1037-L1104 HydrophobicContact CD1-CD2 3.57Å; L1037-L1104 HydrophobicContact CD1-CG 3.86Å; F1041-L1104 HydrophobicContact CD2-CD2 3.82Å; M1046-L1104 HydrophobicContact CB-CD2 4.13Å; M1046-L1104 HydrophobicContact CE-CD1 4.14Å; M1046-L1104 HydrophobicContact CG-CD2 4.28Å; M1046-L1104 HydrophobicContact SD-CD1 3.97Å; M1046-L1104 HydrophobicContact SD-CD2 3.76Å; M1046-L1104 HydrophobicContact SD-CG 4.47Å; C1048-L1104 HydrophobicContact CB-CD2 3.8Å; D1079-L1104 PolarHBondContact N-O 2.98Å; H1080-L1104 PolarHBondContact O-N 3.28Å; F1082-L1104 HydrophobicContact CE2-CD1 3.79Å; F1082-L1104 HydrophobicContact CE2-CG 4.27Å; F1082-L1104 HydrophobicContact CZ-CD1 4.47Å
1105F91.8Very high63.1Low0 Ų047.8 Ų47.80%027%0.27CS..EExtended strand (participates in β ladder)trans-122.4120.1177.9-58.9-85.7000110.7V1011 Y1025 L1027 M1046 Y1047 L1064 I1077 Y1078 A1103 K1107V1011-F1105 HydrophobicContact CG2-CE1 3.53Å; V1011-F1105 HydrophobicContact CG2-CZ 3.77Å; Y1025-F1105 HydrophobicContact CD1-CE2 4.09Å; Y1025-F1105 AromaticContact CD1-CZ 3.77Å; Y1025-F1105 HydrophobicContact CD1-CZ 3.77Å; Y1025-F1105 HydrophobicContact CE1-CZ 4.12Å; Y1025-F1105 HydrophobicContact CG-CZ 4.02Å; L1027-F1105 HydrophobicContact CD2-CD2 4.34Å; L1027-F1105 HydrophobicContact CD2-CE2 4.39Å; M1046-F1105 CarbonylContact C-O 3.6Å; M1046-F1105 VanDerWaalsContact CA-O 3.27Å; M1046-F1105 WeakPolarHBondContact CA-O 3.25Å; Y1047-F1105 PolarHBondContact N-O 3.14Å; Y1047-F1105 PolarHBondContact O-N 3.07Å; L1064-F1105 HydrophobicContact CB-CD1 3.73Å; L1064-F1105 HydrophobicContact CB-CE1 4.07Å; L1064-F1105 HydrophobicContact CB-CG 4.34Å; L1064-F1105 HydrophobicContact CD1-CD1 4.19Å; L1064-F1105 HydrophobicContact CD1-CE1 3.94Å; L1064-F1105 HydrophobicContact CD1-CE2 4.39Å; L1064-F1105 HydrophobicContact CD1-CZ 4.04Å; L1064-F1105 HydrophobicContact CD2-CB 3.97Å; L1064-F1105 HydrophobicContact CD2-CD1 4.03Å; L1064-F1105 HydrophobicContact CD2-CD2 4.16Å; L1064-F1105 HydrophobicContact CD2-CG 3.79Å; L1064-F1105 HydrophobicContact CG-CD1 4.19Å; L1064-F1105 HydrophobicContact CG-CE1 4.41Å; L1064-F1105 HydrophobicContact CG-CG 4.44Å; I1077-F1105 CarbonylContact O-C 3.51Å; I1077-F1105 WeakPolarHBondContact O-CA 3.47Å; Y1078-F1105 HydrophobicContact CD2-CD1 4.43Å; Y1078-F1105 AromaticContact CD2-CE1 3.63Å; Y1078-F1105 HydrophobicContact CD2-CE1 3.63Å; Y1078-F1105 HydrophobicContact CD2-CZ 4.05Å; Y1078-F1105 HydrophobicContact CG-CE1 4.19Å; A1103-F1105 HydrophobicContact CB-CE2 3.73Å; A1103-F1105 HydrophobicContact CB-CZ 3.77Å; F1105-K1107 PolarHBondContact O-N 2.62Å
1106V88.3Confident63.8Low1 Ų141 Ų411%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-61.5125.4167.51600000108.8F964 V974 G1076 I1077 D1079F964-V1106 HydrophobicContact CE2-CG1 3.75Å; F964-V1106 HydrophobicContact CE2-CG2 4.47Å; F964-V1106 HydrophobicContact CZ-CG1 4.21Å; V974-V1106 HydrophobicContact CG1-CG2 3.74Å; G1076-V1106 CarbonylContact C-O 3.51Å; G1076-V1106 WeakPolarHBondContact CA-O 3.32Å; I1077-V1106 HydrophobicContact CB-CB 4.39Å; I1077-V1106 PolarHBondContact N-O 2.8Å; I1077-V1106 PolarHBondContact O-N 3.25Å; D1079-V1106 HydrophobicContact CB-CG2 4.29Å
1107K85.4Confident64.3Low10 Ų1033.8 Ų33.84%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-69.2147.3177.5-65.3-172.4-165.8173.70111.7M489 R492 P1043 S1044 V1045 M1046 Y1047 F1105M489-K1107 PolarHBondContact SD-NZ 3.14Å; R492-K1107 PolarHBondContact NH2-O 3.29Å; P1043-K1107 PolarHBondContact O-NZ 3.02Å; S1044-K1107 WeakPolarHBondContact O-CD 3.48Å; S1044-K1107 WeakPolarHBondContact O-CE 3.04Å; S1044-K1107 PolarHBondContact O-NZ 3.42Å; V1045-K1107 WeakPolarHBondContact O-CB 3.38Å; V1045-K1107 VanDerWaalsContact O-CG 3.29Å; V1045-K1107 WeakPolarHBondContact O-CG 3.43Å; V1045-K1107 PolarHBondContact O-N 2.85Å; M1046-K1107 WeakPolarHBondContact O-CE 3.07Å; Y1047-K1107 HydrophobicContact CD1-CD 4.42Å; Y1047-K1107 HydrophobicContact CD1-CG 4.43Å; Y1047-K1107 HydrophobicContact CD2-CG 3.77Å; Y1047-K1107 HydrophobicContact CE1-CD 3.94Å; Y1047-K1107 HydrophobicContact CE1-CG 4.21Å; Y1047-K1107 HydrophobicContact CE2-CB 4.23Å; Y1047-K1107 HydrophobicContact CE2-CD 4.06Å; Y1047-K1107 HydrophobicContact CE2-CG 3.52Å; Y1047-K1107 HydrophobicContact CG-CG 4.2Å; F1105-K1107 PolarHBondContact O-N 2.62Å
1108L80.5Confident64Low2 Ų230.7 Ų30.71%0.0118%0.184CC..  trans-112.6153167.9-68.1172.1000111.7V918 M976 L996 P997 Q1074 F1075 I1077V918-L1108 HydrophobicContact CG1-CD2 4.43Å; M976-L1108 HydrophobicContact SD-CD2 3.84Å; L996-L1108 HydrophobicContact CD2-CB 4.18Å; L996-L1108 HydrophobicContact CD2-CD1 3.7Å; L996-L1108 HydrophobicContact CD2-CG 4.44Å; P997-L1108 WeakPolarHBondContact CG-O 3.27Å; Q1074-L1108 HydrophobicContact CG-CD1 3.86Å; F1075-L1108 PolarHBondContact O-N 3.46Å; I1077-L1108 HydrophobicContact CD1-CD1 4.46Å; I1077-L1108 HydrophobicContact CD1-CD2 4.1Å; I1077-L1108 HydrophobicContact CG1-CD1 3.81Å; I1077-L1108 HydrophobicContact CG1-CD2 4.18Å; I1077-L1108 HydrophobicContact CG1-CG 4.07Å
1109E67.3Low63.6Low19 Ų1934 Ų349%0.08919%0.192CC..  trans-144.1146.1168.2-70.6-170.3-144.200107.7R492 P997 S999 G1000 A1111 N1112R492-E1109 VanDerWaalsContact CD-CD 3.49Å; R492-E1109 WeakPolarHBondContact CD-OE1 3.26Å; R492-E1109 WeakPolarHBondContact CG-OE1 3.25Å; R492-E1109 IonicContact NE-OE1 2.76Å; R492-E1109 PolarHBondContact NE-OE1 3.26Å; P997-E1109 CarbonylContact O-C 3.44Å; S999-E1109 WeakPolarHBondContact CA-OE2 3.36Å; G1000-E1109 PolarHBondContact N-OE2 3.41Å; G1000-E1109 VanDerWaalsContact N-OE2 3.15Å; E1109-A1111 PolarHBondContact O-N 2.79Å; E1109-A1111 VanDerWaalsContact O-N 3.09Å; E1109-N1112 PolarHBondContact N-ND2 2.59Å; E1109-N1112 VanDerWaalsContact O-CB 3.23Å; E1109-N1112 WeakPolarHBondContact O-CB 3.33Å; E1109-N1112 PolarHBondContact O-N 3.33Å; E1109-N1112 PolarHBondContact O-ND2 3.31Å
1110G55Low62.7Low32 Ų3239.3 Ų39.333%0.3320%0.203SC..THydrogen-bonded Turntrans-67.1-11.1-171.600000115.6P997P997-G1110 PolarHBondContact O-N 3.47Å
1111A52.3Low61Low36 Ų3637.6 Ų37.630%0.29820%0.201SC..THydrogen-bonded Turntrans-78.9-22.8169.600000112.8E1109 A1113 G1114 Q1115E1109-A1111 PolarHBondContact O-N 2.79Å; E1109-A1111 VanDerWaalsContact O-N 3.09Å; A1111-A1113 PolarHBondContact O-N 3.27Å; A1111-G1114 PolarHBondContact O-N 3.23Å; A1111-Q1115 WeakPolarHBondContact O-CG 3.19Å; A1111-Q1115 PolarHBondContact O-N 3.43Å
1112N54.4Low58.9Low5 Ų545.3 Ų45.33%0.02723%0.231CC..Hα-helixtrans-61.2-48.7-169.9-63.9-11.2000112.4R492 M976 E1109 G1114 Q1115 V1116R492-N1112 VanDerWaalsContact NH1-CG 3.3Å; R492-N1112 PolarHBondContact NH1-ND2 3.27Å; R492-N1112 PolarHBondContact NH1-OD1 3.33Å; M976-N1112 HydrophobicContact CE-CB 3.99Å; M976-N1112 HydrophobicContact SD-CB 3.65Å; E1109-N1112 PolarHBondContact N-ND2 2.59Å; E1109-N1112 VanDerWaalsContact O-CB 3.23Å; E1109-N1112 WeakPolarHBondContact O-CB 3.33Å; E1109-N1112 PolarHBondContact O-N 3.33Å; E1109-N1112 PolarHBondContact O-ND2 3.31Å; N1112-G1114 PolarHBondContact O-N 2.79Å; N1112-Q1115 PolarHBondContact O-N 2.93Å; N1112-Q1115 VanDerWaalsContact O-N 3.11Å; N1112-V1116 WeakPolarHBondContact O-CB 3.12Å; N1112-V1116 WeakPolarHBondContact O-CG2 3.4Å; N1112-V1116 PolarHBondContact O-N 3.4Å
1113A49.4Very low56.4Low4 Ų451.7 Ų51.73%0.03326%0.26CS..Hα-helixtrans-58.3-37.7-175.900000112.3Y906 L996 A1111Y906-A1113 HydrophobicContact CD1-CB 4.01Å; Y906-A1113 HydrophobicContact CE1-CB 3.56Å; L996-A1113 HydrophobicContact CD1-CB 4.37Å; A1111-A1113 PolarHBondContact O-N 3.27Å
1114G47.5Very low53.7Low35 Ų3556.9 Ų56.936%0.36129%0.292SS..Hα-helixtrans-77-38.7173.500000113.9A1111 N1112 V1116 Q1117 N1118A1111-G1114 PolarHBondContact O-N 3.23Å; N1112-G1114 PolarHBondContact O-N 2.79Å; G1114-V1116 PolarHBondContact O-N 3.11Å; G1114-Q1117 PolarHBondContact O-N 3.28Å; G1114-N1118 PolarHBondContact O-N 2.93Å; G1114-N1118 VanDerWaalsContact O-N 3.12Å
1115Q45.9Very low50.8Low88 Ų8860.2 Ų60.241%0.41132%0.316SS..Hα-helixtrans-64.3-40.1176.9-78.7-174.7-39.300112.4A1111 N1112 Q1117 N1118 F1119A1111-Q1115 WeakPolarHBondContact O-CG 3.19Å; A1111-Q1115 PolarHBondContact O-N 3.43Å; N1112-Q1115 PolarHBondContact O-N 2.93Å; N1112-Q1115 VanDerWaalsContact O-N 3.11Å; Q1115-Q1117 PolarHBondContact O-N 2.86Å; Q1115-N1118 PolarHBondContact O-N 3.05Å; Q1115-F1119 VanDerWaalsContact O-CD2 3.3Å; Q1115-F1119 WeakPolarHBondContact O-CD2 3.29Å; Q1115-F1119 PolarHBondContact O-N 2.97Å
1116V49.5Very low47.7Very low10 Ų1068.5 Ų68.56%0.06135%0.352CS..Hα-helixtrans-58.2-32.2176.6167.90000111.9Y960 T962 M976 V978 N1112 G1114Y960-V1116 HydrophobicContact CG-CG1 4.44Å; Y960-V1116 WeakPolarHBondContact O-CG1 3.21Å; T962-V1116 HydrophobicContact CG2-CB 4.35Å; T962-V1116 HydrophobicContact CG2-CG1 4.37Å; T962-V1116 HydrophobicContact CG2-CG2 3.78Å; M976-V1116 HydrophobicContact CG-CG2 4.25Å; M976-V1116 HydrophobicContact SD-CG2 4.24Å; V978-V1116 HydrophobicContact CB-CG1 4.06Å; V978-V1116 HydrophobicContact CG2-CB 4.32Å; V978-V1116 HydrophobicContact CG2-CG1 3.81Å; N1112-V1116 WeakPolarHBondContact O-CB 3.12Å; N1112-V1116 WeakPolarHBondContact O-CG2 3.4Å; N1112-V1116 PolarHBondContact O-N 3.4Å; G1114-V1116 PolarHBondContact O-N 3.11Å
1117Q40.6Very low44.8Very low47 Ų4778 Ų7822%0.2241%0.41CS..Hα-helixtrans-78.3-37173.6-66.4178.4-500112.5E916 G1114 Q1115E916-Q1117 VanDerWaalsContact CD-NE2 3.26Å; E916-Q1117 PolarHBondContact OE1-NE2 3.15Å; G1114-Q1117 PolarHBondContact O-N 3.28Å; Q1115-Q1117 PolarHBondContact O-N 2.86Å
1118N34.8Very low42.8Very low91 Ų9181.4 Ų81.449%0.48743%0.428SS..Hα-helixtrans-81.1-17.4-174.2-74.9-1.2000115.5G1114 Q1115 R1120 T1121G1114-N1118 PolarHBondContact O-N 2.93Å; G1114-N1118 VanDerWaalsContact O-N 3.12Å; Q1115-N1118 PolarHBondContact O-N 3.05Å; N1118-R1120 VanDerWaalsContact C-N 3.32Å; N1118-R1120 PolarHBondContact O-N 3.3Å; N1118-T1121 PolarHBondContact O-N 2.94Å; N1118-T1121 PolarHBondContact O-OG1 3.19Å
1119F33.6Very low40.8Very low136 Ų13685.6 Ų85.660%0.59645%0.45SS*.Hα-helixtrans-58.5-41-176.4-102.2-76.4000112.9Q1115Q1115-F1119 VanDerWaalsContact O-CD2 3.3Å; Q1115-F1119 WeakPolarHBondContact O-CD2 3.29Å; Q1115-F1119 PolarHBondContact O-N 2.97Å
1120R32.9Very low39.3Very low180 Ų18089.3 Ų89.368%0.67947%0.47SS*.Hα-helixtrans-69.9-31177.4-97.3-173.3172.8-179.3-1.2114.1N1118 Y1122 E1123 T1124N1118-R1120 VanDerWaalsContact C-N 3.32Å; N1118-R1120 PolarHBondContact O-N 3.3Å; R1120-Y1122 PolarHBondContact O-N 3.07Å; R1120-E1123 PolarHBondContact O-N 2.96Å; R1120-E1123 VanDerWaalsContact O-N 3.16Å; R1120-T1124 PolarHBondContact O-N 2.97Å; R1120-T1124 PolarHBondContact O-OG1 3.04Å; R1120-T1124 VanDerWaalsContact O-OG1 3.08Å
1121T29.8Very low38.4Very low81 Ų8192.6 Ų92.650%0.49748%0.478SS..Hα-helixtrans-62.9-31.2-178.2-28.30000111.9N1118 T1124N1118-T1121 PolarHBondContact O-N 2.94Å; N1118-T1121 PolarHBondContact O-OG1 3.19Å; T1121-T1124 WeakPolarHBondContact CA-OG1 3.14Å; T1121-T1124 PolarHBondContact O-OG1 2.88Å; T1121-T1124 VanDerWaalsContact O-OG1 3.05Å
1122Y30.5Very low37.5Very low165 Ų16596.2 Ų96.265%0.64749%0.489SS*.Hα-helixtrans-81.7-29175.9-79.8-89.1000113.5R1120 S1125 F1126R1120-Y1122 PolarHBondContact O-N 3.07Å; Y1122-S1125 PolarHBondContact O-N 2.93Å; Y1122-S1125 PolarHBondContact O-OG 2.79Å; Y1122-S1125 VanDerWaalsContact O-OG 3.1Å; Y1122-F1126 WeakPolarHBondContact O-CD2 3.43Å
1123E33.2Very low36.4Very low140 Ų140102.3 Ų102.365%0.65452%0.52SS*.Hα-helixtrans-71.1-33.7172-68.5-174.8132.500111.7R1120 S1125R1120-E1123 PolarHBondContact O-N 2.96Å; R1120-E1123 VanDerWaalsContact O-N 3.16Å; E1123-S1125 PolarHBondContact O-N 3.36Å
1124T33.7Very low35.5Very low110 Ų110109.3 Ų109.368%0.67556%0.555SS**THydrogen-bonded Turntrans-76.8-3.2175.1510000114.7R1120 T1121R1120-T1124 PolarHBondContact O-N 2.97Å; R1120-T1124 PolarHBondContact O-OG1 3.04Å; R1120-T1124 VanDerWaalsContact O-OG1 3.08Å; T1121-T1124 WeakPolarHBondContact CA-OG1 3.14Å; T1121-T1124 PolarHBondContact O-OG1 2.88Å; T1121-T1124 VanDerWaalsContact O-OG1 3.05Å
1125S29.5Very low34.6Very low72 Ų72115 Ų11550%0.50357%0.57SS.*THydrogen-bonded Turntrans-108.716.1177.370.40000113.6Y1122 E1123Y1122-S1125 PolarHBondContact O-N 2.93Å; Y1122-S1125 PolarHBondContact O-OG 2.79Å; Y1122-S1125 VanDerWaalsContact O-OG 3.1Å; E1123-S1125 PolarHBondContact O-N 3.36Å
1126F26.8Very low33.6Very low175 Ų175117.3 Ų117.377%0.76858%0.583SS**  trans-127.939.9176-85.6-79.1000112Y1122Y1122-F1126 WeakPolarHBondContact O-CD2 3.43Å
1127V28.3Very low32.2Very low200 Ų200127 Ų127100%1.21263%0.631SS**  trans-135.20164.5-177.50000108.1

Retrieved 1,127 of 1,127 residues in 3201.7 ms (Link to these results)

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