A0A3Q0KI80_SCHMA Loading...

Serine/threonine-protein kinase PLK4

AlphaFold DB , UniProt , Accession A0A3Q0KI80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 898 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
1M37.1Very low55.7Low116 Ų11683 Ų8357%0.57152%0.516SS*.  01290-71.8-164.5-16300106.5G3 M50 L51 A56 R60M1-G3 PolarHBondContact O-N 3.31Å; M1-M50 HydrophobicContact CE-CE 3.77Å; M1-M50 HydrophobicContact SD-CE 4.09Å; M1-L51 HydrophobicContact CE-CD1 4.08Å; M1-L51 HydrophobicContact CE-CD2 3.35Å; M1-L51 HydrophobicContact CE-CG 3.72Å; M1-A56 HydrophobicContact CE-CB 4.12Å; M1-R60 VanDerWaalsContact CB-NH2 3.26Å; M1-R60 VanDerWaalsContact CG-NH2 3.28Å
2S40.8Very low58.2Low99 Ų9987.4 Ų87.469%0.69253%0.526SS*.  trans-58.5124.2162.238.70000106.6
3G42.6Very low60.7Low40 Ų4083.5 Ų83.541%0.41250%0.5SS..  trans-65.2144.2-169.700000111.9M1 T5 E82M1-G3 PolarHBondContact O-N 3.31Å; G3-T5 PolarHBondContact O-N 3.23Å; G3-E82 WeakPolarHBondContact CA-OE1 3.16Å
4F53Low62.9Low32 Ų3279 Ų7914%0.1447%0.471CS..  trans-77.574.8168.8-67.7-83.9000108.3G6 R60 V63 E82F4-G6 VanDerWaalsContact C-N 3.32Å; F4-G6 PolarHBondContact O-N 2.96Å; F4-R60 HydrophobicContact CE1-CB 4.46Å; F4-R60 HydrophobicContact CE1-CG 3.79Å; F4-R60 HydrophobicContact CE2-CG 4.26Å; F4-R60 HydrophobicContact CZ-CB 4.17Å; F4-R60 HydrophobicContact CZ-CG 3.31Å; F4-V63 HydrophobicContact CD1-CG1 4.24Å; F4-V63 HydrophobicContact CD1-CG2 4.5Å; F4-V63 HydrophobicContact CE1-CB 4.1Å; F4-V63 HydrophobicContact CE1-CG1 4.28Å; F4-V63 HydrophobicContact CE1-CG2 4.1Å; F4-E82 HydrophobicContact CB-CG 4.28Å; F4-E82 PolarHBondContact N-OE1 3.28Å
5T40.8Very low65Low127 Ų12781.1 Ų81.178%0.77947%0.474SS*.  trans-83.581.3178.555.40000109.6G3G3-T5 PolarHBondContact O-N 3.23Å
6G49.8Very low66.7Low27 Ų2779.7 Ų79.728%0.27847%0.467SS..  trans-65.512915400000108.5F4 G8 C80F4-G6 VanDerWaalsContact C-N 3.32Å; F4-G6 PolarHBondContact O-N 2.96Å; G6-G8 PolarHBondContact O-N 3.11Å; G6-G8 VanDerWaalsContact O-N 3.11Å; G6-C80 WeakPolarHBondContact CA-O 3.18Å; G6-C80 PolarHBondContact N-O 2.59Å
7V50.2Low68.3Low142 Ų14279.6 Ų79.686%0.86146%0.46SS*.SBendtrans-58.7115.3-172.8-179.10000110.4C9V7-C9 PolarHBondContact O-N 2.91Å; V7-C9 VanDerWaalsContact O-N 3.1Å
8G61.6Low69.7Low68 Ų6880.3 Ų80.370%0.70146%0.458SS*.SBendtrans78.8-17.3158.100000119.1G6G6-G8 PolarHBondContact O-N 3.11Å; G6-G8 VanDerWaalsContact O-N 3.11Å
9C72.6Confident70.9Confident42 Ų4280.3 Ų80.328%0.28446%0.456SS..  trans-79.1139.7-176.4-68.60000112.6V7 D13 F81V7-C9 PolarHBondContact O-N 2.91Å; V7-C9 VanDerWaalsContact O-N 3.1Å; C9-D13 WeakPolarHBondContact CA-OD2 3.45Å; C9-F81 HydrophobicContact CB-CD1 4Å; C9-F81 HydrophobicContact CB-CE1 4.49Å; C9-F81 HydrophobicContact CB-CG 4.47Å
10K82Confident71.8Confident133 Ų13380.6 Ų80.658%0.57846%0.456SS*.  trans-129.9168.3174.3-54.1-177.9-180178.10111.3E12 D13 F14K10-E12 WeakPolarHBondContact CB-OE2 3.49Å; K10-E12 PolarHBondContact O-N 2.98Å; K10-D13 PolarHBondContact N-OD2 2.74Å; K10-D13 WeakPolarHBondContact O-CB 3.42Å; K10-D13 PolarHBondContact O-N 3.16Å; K10-D13 VanDerWaalsContact O-N 3.16Å; K10-F14 WeakPolarHBondContact O-CD2 3.06Å
11K82.7Confident72.4Confident87 Ų8778 Ų7838%0.37845%0.447SS..G310 helixtrans-59.5-35178.7-174.5-174.6-175.7171.50111.9D13 F14 F81 Y88K11-D13 PolarHBondContact O-N 2.87Å; K11-F14 PolarHBondContact O-N 3.28Å; K11-F14 VanDerWaalsContact O-N 3.16Å; K11-F81 HydrophobicContact CB-CE2 4.29Å; K11-Y88 HydrophobicContact CD-CE1 4.27Å; K11-Y88 HydrophobicContact CG-CE1 4.28Å
12E85.7Confident74.4Confident136 Ų13680.1 Ų80.164%0.63645%0.448SS*.G310 helixtrans-66.1-19.5-178.3-58.871.3-142.700112.7K10 F14K10-E12 WeakPolarHBondContact CB-OE2 3.49Å; K10-E12 PolarHBondContact O-N 2.98Å; E12-F14 PolarHBondContact O-N 2.9Å
13D89.7Confident75.8Confident36 Ų3677.6 Ų77.619%0.19344%0.438CS..G310 helixtrans-72.6-5.2176.7-58.3-35.2000112.5C9 K10 K11 T34 I35C9-D13 WeakPolarHBondContact CA-OD2 3.45Å; K10-D13 PolarHBondContact N-OD2 2.74Å; K10-D13 WeakPolarHBondContact O-CB 3.42Å; K10-D13 PolarHBondContact O-N 3.16Å; K10-D13 VanDerWaalsContact O-N 3.16Å; K11-D13 PolarHBondContact O-N 2.87Å; D13-T34 VanDerWaalsContact C-OG1 3.29Å; D13-T34 WeakPolarHBondContact O-CB 3.43Å; D13-T34 PolarHBondContact O-N 2.95Å; D13-T34 PolarHBondContact O-OG1 2.9Å; D13-I35 HydrophobicContact CB-CD1 4.12Å
14F92.4Very high77Confident21 Ų2179.1 Ų79.19%0.09245%0.454CS..EExtended strand (participates in β ladder)trans-127127.3-176.2-59.4-87.2000112.5K10 K11 E12 V16 A31 K32 V40 I42 F81 V90K10-F14 WeakPolarHBondContact O-CD2 3.06Å; K11-F14 PolarHBondContact O-N 3.28Å; K11-F14 VanDerWaalsContact O-N 3.16Å; E12-F14 PolarHBondContact O-N 2.9Å; F14-V16 PolarHBondContact O-N 3.04Å; F14-A31 HydrophobicContact CB-CB 4.3Å; F14-K32 WeakPolarHBondContact CA-O 2.96Å; F14-V40 HydrophobicContact CD1-CG2 3.94Å; F14-V40 HydrophobicContact CE1-CG2 4.1Å; F14-I42 HydrophobicContact CB-CD1 3.65Å; F14-I42 HydrophobicContact CD1-CD1 3.91Å; F14-I42 HydrophobicContact CD2-CD1 4.17Å; F14-I42 HydrophobicContact CG-CD1 3.64Å; F14-F81 HydrophobicContact CD2-CE1 4.3Å; F14-F81 HydrophobicContact CD2-CZ 4.21Å; F14-F81 AromaticContact CE2-CE1 3.73Å; F14-F81 HydrophobicContact CE2-CE1 3.73Å; F14-F81 HydrophobicContact CE2-CZ 4.09Å; F14-V90 HydrophobicContact CE1-CG1 3.85Å; F14-V90 HydrophobicContact CE1-CG2 4.31Å; F14-V90 HydrophobicContact CE2-CG2 4.17Å; F14-V90 HydrophobicContact CZ-CG1 4.04Å; F14-V90 HydrophobicContact CZ-CG2 3.8Å
15Q94.4Very high78Confident110 Ų11081.3 Ų81.351%0.51446%0.463SS..EExtended strand (participates in β ladder)trans-81106.9166.4-17417724.200108.9F17 A31 K32 T34Q15-F17 HydrophobicContact CB-CE2 4.47Å; Q15-F17 HydrophobicContact CB-CZ 4.27Å; Q15-F17 HydrophobicContact CG-CE1 3.99Å; Q15-F17 HydrophobicContact CG-CE2 4.32Å; Q15-F17 HydrophobicContact CG-CZ 3.77Å; Q15-F17 WeakPolarHBondContact O-CD2 3.4Å; Q15-F17 VanDerWaalsContact O-CE2 3.31Å; Q15-F17 WeakPolarHBondContact O-CE2 3.29Å; Q15-A31 CarbonylContact O-C 3.54Å; Q15-A31 WeakPolarHBondContact O-CA 3.4Å; Q15-A31 WeakPolarHBondContact O-CB 3.39Å; Q15-K32 PolarHBondContact N-O 3.19Å; Q15-K32 PolarHBondContact O-N 3.49Å; Q15-T34 HydrophobicContact CB-CG2 4.41Å
16V92.6Very high80Confident59 Ų5976 Ų7636%0.35843%0.433SS..EExtended strand (participates in β ladder)trans-83.9134.4-179.8-175.20000110.7F14 Y29 A31F14-V16 PolarHBondContact O-N 3.04Å; V16-Y29 HydrophobicContact CG1-CD1 3.85Å; V16-Y29 HydrophobicContact CG1-CG 3.78Å; V16-A31 HydrophobicContact CG2-CB 4.41Å
17F93.5Very high82Confident79 Ų7977.3 Ų77.335%0.34643%0.431SS..EExtended strand (participates in β ladder)trans-115.2-135-179.8-55.3-81000111.6Q15 R30 K32Q15-F17 HydrophobicContact CB-CE2 4.47Å; Q15-F17 HydrophobicContact CB-CZ 4.27Å; Q15-F17 HydrophobicContact CG-CE1 3.99Å; Q15-F17 HydrophobicContact CG-CE2 4.32Å; Q15-F17 HydrophobicContact CG-CZ 3.77Å; Q15-F17 WeakPolarHBondContact O-CD2 3.4Å; Q15-F17 VanDerWaalsContact O-CE2 3.31Å; Q15-F17 WeakPolarHBondContact O-CE2 3.29Å; F17-R30 HydrophobicContact CB-CB 4.4Å; F17-R30 HydrophobicContact CD2-CG 4.45Å; F17-R30 PolarHBondContact N-O 3.1Å; F17-K32 HydrophobicContact CE2-CB 3.6Å; F17-K32 HydrophobicContact CZ-CB 4.17Å
18E92.7Very high84.1Confident91 Ų9172.2 Ų72.243%0.42540%0.401SS..EExtended strand (participates in β ladder)trans-67151.7-176.368-85.7-16300114L20 Y29 R30E18-L20 HydrophobicContact CG-CD2 4.34Å; E18-L20 PolarHBondContact O-N 3.42Å; E18-Y29 WeakPolarHBondContact O-CA 3.26Å; E18-R30 HydrophobicContact CG-CB 4.41Å; E18-R30 PolarHBondContact O-N 3.31Å; E18-R30 WeakPolarHBondContact OE1-CD 3.33Å; E18-R30 IonicContact OE1-CZ 3.53Å; E18-R30 IonicContact OE1-NE 3.92Å; E18-R30 IonicContact OE1-NH1 3.73Å; E18-R30 PolarHBondContact OE1-NH1 2.82Å
19L92.6Very high85.7Confident81 Ų8171.6 Ų71.642%0.42438%0.377SS..EExtended strand (participates in β ladder)trans-73119.6169.5-178.775.2000109.3G21 R22 Q27 V28 Y29L19-G21 WeakPolarHBondContact CD1-O 3.26Å; L19-R22 HydrophobicContact CD2-CB 4.43Å; L19-Q27 HydrophobicContact CD1-CB 3.89Å; L19-Q27 HydrophobicContact CD1-CG 4.36Å; L19-V28 WeakPolarHBondContact CD1-O 3.48Å; L19-Y29 HydrophobicContact CB-CD1 4.19Å; L19-Y29 HydrophobicContact CB-CE1 3.96Å; L19-Y29 HydrophobicContact CD1-CD1 4.22Å; L19-Y29 HydrophobicContact CD1-CD2 4.28Å; L19-Y29 HydrophobicContact CD1-CE1 3.85Å; L19-Y29 HydrophobicContact CD1-CE2 3.92Å; L19-Y29 HydrophobicContact CD1-CG 4.42Å
20L89.6Confident86.8Confident86 Ų8672.8 Ų72.845%0.4538%0.376SS..EExtended strand (participates in β ladder)trans-85-34.6176.3-62175.3000112.1E18 V28 R30 A41 I93E18-L20 HydrophobicContact CG-CD2 4.34Å; E18-L20 PolarHBondContact O-N 3.42Å; L20-V28 HydrophobicContact CB-CG1 4.36Å; L20-V28 HydrophobicContact CD1-CG1 4.38Å; L20-V28 PolarHBondContact N-O 3.15Å; L20-R30 HydrophobicContact CD1-CB 3.97Å; L20-R30 HydrophobicContact CD2-CB 4.09Å; L20-R30 HydrophobicContact CG-CB 4.04Å; L20-A41 HydrophobicContact CD1-CB 4.14Å; L20-I93 HydrophobicContact CD1-CD1 3.46Å; L20-I93 VanDerWaalsContact CD1-CD1 3.46Å
21G83.1Confident87.5Confident26 Ų2666.5 Ų66.527%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-166.7153.4-178.800000113.2L19 V28L19-G21 WeakPolarHBondContact CD1-O 3.26Å; G21-V28 PolarHBondContact N-O 3.39Å; G21-V28 PolarHBondContact O-N 3.39Å
22R80.7Confident88.1Confident160 Ų16066.2 Ų66.260%0.60435%0.347SS*.EExtended strand (participates in β ladder)trans-125.2118.1175.7178.8-177.9-94.1-159.9-5.5109.1L19 Q27L19-R22 HydrophobicContact CD2-CB 4.43Å; R22-Q27 HydrophobicContact CG-CG 4.21Å
23G69.9Low88.4Confident46 Ų4660.3 Ų60.347%0.47432%0.321SS..  trans-93.8-176.1166.900000111.7F25 A26G23-F25 PolarHBondContact O-N 3.23Å; G23-A26 WeakPolarHBondContact CA-O 3.34Å; G23-A26 PolarHBondContact N-O 2.8Å
24G66.9Low88.5Confident72 Ų7262.7 Ų62.774%0.74234%0.337SS*.SBendtrans-63.1-37.3-179.100000114.2
25F74.1Confident88.3Confident79 Ų7967.7 Ų67.735%0.34636%0.363SS..SBendtrans-129.45.8-175.5-46.8-69.3000113G23 I45 D46 H53 L55G23-F25 PolarHBondContact O-N 3.23Å; F25-I45 WeakPolarHBondContact O-CA 3.31Å; F25-D46 PolarHBondContact O-N 3.04Å; F25-D46 VanDerWaalsContact O-N 3.14Å; F25-H53 AromaticContact CD1-CD2 3.65Å; F25-H53 HydrophobicContact CE1-CB 4.04Å; F25-H53 AromaticContact CE1-CD2 3.01Å; F25-H53 WeakPolarHBondContact CE1-CD2 3.41Å; F25-H53 AromaticContact CE1-CE1 3.61Å; F25-H53 AromaticContact CE1-CG 3.28Å; F25-H53 AromaticContact CE1-ND1 3.64Å; F25-H53 AromaticContact CE1-NE2 3.25Å; F25-H53 WeakPolarHBondContact CE1-NE2 3.2Å; F25-H53 HydrophobicContact CE2-CB 4.42Å; F25-H53 HydrophobicContact CZ-CB 3.93Å; F25-H53 AromaticContact CZ-CD2 3.66Å; F25-H53 AromaticContact CZ-CE1 3.76Å; F25-H53 AromaticContact CZ-CG 3.39Å; F25-H53 AromaticContact CZ-ND1 3.47Å; F25-H53 WeakPolarHBondContact CZ-ND1 3.29Å; F25-H53 AromaticContact CZ-NE2 3.88Å; F25-L55 HydrophobicContact CB-CD1 4.38Å; F25-L55 HydrophobicContact CD1-CD1 4.47Å; F25-L55 HydrophobicContact CD2-CD1 3.1Å; F25-L55 HydrophobicContact CE2-CD1 3.4Å; F25-L55 HydrophobicContact CG-CD1 3.7Å; F25-L55 HydrophobicContact CZ-CD1 4.23Å
26A84.2Confident88.1Confident16 Ų1667 Ų6713%0.13237%0.367CS..EExtended strand (participates in β ladder)trans-140.6146.4-173.900000111.5G23 K43 M44 I45G23-A26 WeakPolarHBondContact CA-O 3.34Å; G23-A26 PolarHBondContact N-O 2.8Å; A26-K43 HydrophobicContact CB-CG 4.08Å; A26-M44 CarbonylContact C-O 3.56Å; A26-M44 WeakPolarHBondContact CA-O 3.35Å; A26-I45 HydrophobicContact CB-CG1 3.95Å
27Q91.2Very high88.1Confident53 Ų5366 Ų6625%0.24837%0.369CS..EExtended strand (participates in β ladder)trans-123.4136.9172.8-69.2172.6-4.600108.1L19 R22 Y29 K43 M44L19-Q27 HydrophobicContact CD1-CB 3.89Å; L19-Q27 HydrophobicContact CD1-CG 4.36Å; R22-Q27 HydrophobicContact CG-CG 4.21Å; Q27-Y29 HydrophobicContact CB-CD2 4.28Å; Q27-Y29 HydrophobicContact CB-CE2 3.58Å; Q27-Y29 PolarHBondContact OE1-OH 2.84Å; Q27-K43 CarbonylContact O-C 3.54Å; Q27-K43 WeakPolarHBondContact O-CA 3.41Å; Q27-M44 PolarHBondContact N-O 2.64Å; Q27-M44 PolarHBondContact O-N 2.85Å
28V93.1Very high88Confident36 Ų3666.5 Ų66.522%0.21837%0.372CS..EExtended strand (participates in β ladder)trans-111.7121.5-179.3-172.30000108.3L19 L20 G21 A41 I42 K43L19-V28 WeakPolarHBondContact CD1-O 3.48Å; L20-V28 HydrophobicContact CB-CG1 4.36Å; L20-V28 HydrophobicContact CD1-CG1 4.38Å; L20-V28 PolarHBondContact N-O 3.15Å; G21-V28 PolarHBondContact N-O 3.39Å; G21-V28 PolarHBondContact O-N 3.39Å; V28-A41 HydrophobicContact CG1-CB 4.11Å; V28-I42 CarbonylContact C-O 3.56Å; V28-I42 WeakPolarHBondContact CA-O 3.45Å; V28-K43 HydrophobicContact CG2-CB 4.03Å; V28-K43 HydrophobicContact CG2-CG 4.08Å
29Y95.5Very high88.1Confident54 Ų5465.2 Ų65.221%0.21237%0.366CS..EExtended strand (participates in β ladder)trans-113.3147.7178.9-68.1-93.1000110.7V16 E18 L19 Q27 A41 I42 M44V16-Y29 HydrophobicContact CG1-CD1 3.85Å; V16-Y29 HydrophobicContact CG1-CG 3.78Å; E18-Y29 WeakPolarHBondContact O-CA 3.26Å; L19-Y29 HydrophobicContact CB-CD1 4.19Å; L19-Y29 HydrophobicContact CB-CE1 3.96Å; L19-Y29 HydrophobicContact CD1-CD1 4.22Å; L19-Y29 HydrophobicContact CD1-CD2 4.28Å; L19-Y29 HydrophobicContact CD1-CE1 3.85Å; L19-Y29 HydrophobicContact CD1-CE2 3.92Å; L19-Y29 HydrophobicContact CD1-CG 4.42Å; Q27-Y29 HydrophobicContact CB-CD2 4.28Å; Q27-Y29 HydrophobicContact CB-CE2 3.58Å; Q27-Y29 PolarHBondContact OE1-OH 2.84Å; Y29-A41 CarbonylContact O-C 3.52Å; Y29-A41 WeakPolarHBondContact O-CA 3.48Å; Y29-I42 PolarHBondContact N-O 2.97Å; Y29-I42 PolarHBondContact O-N 2.82Å; Y29-M44 HydrophobicContact CD2-CG 4.26Å; Y29-M44 HydrophobicContact CD2-SD 3.68Å; Y29-M44 HydrophobicContact CE2-SD 3.73Å
30R95.8Very high88.3Confident68 Ų6861.5 Ų61.526%0.25735%0.347SS..EExtended strand (participates in β ladder)trans-73139.4162.3-172.1-179.7176.7-166.4-5.4107.9F17 E18 L20 E39 I93F17-R30 HydrophobicContact CB-CB 4.4Å; F17-R30 HydrophobicContact CD2-CG 4.45Å; F17-R30 PolarHBondContact N-O 3.1Å; E18-R30 HydrophobicContact CG-CB 4.41Å; E18-R30 PolarHBondContact O-N 3.31Å; E18-R30 WeakPolarHBondContact OE1-CD 3.33Å; E18-R30 IonicContact OE1-CZ 3.53Å; E18-R30 IonicContact OE1-NE 3.92Å; E18-R30 IonicContact OE1-NH1 3.73Å; E18-R30 PolarHBondContact OE1-NH1 2.82Å; L20-R30 HydrophobicContact CD1-CB 3.97Å; L20-R30 HydrophobicContact CD2-CB 4.09Å; L20-R30 HydrophobicContact CG-CB 4.04Å; R30-E39 IonicContact CZ-OE1 3.65Å; R30-E39 IonicContact CZ-OE2 3.29Å; R30-E39 VanDerWaalsContact CZ-OE2 3.29Å; R30-E39 IonicContact NE-OE1 2.66Å; R30-E39 IonicContact NE-OE2 2.68Å; R30-E39 PolarHBondContact NE-OE2 2.89Å; R30-E39 IonicContact NH2-OE1 2.81Å; R30-E39 PolarHBondContact NH2-OE1 3.18Å; R30-E39 IonicContact NH2-OE2 3.27Å; R30-E39 PolarHBondContact NH2-OE2 2.62Å; R30-I93 HydrophobicContact CG-CD1 4.32Å
31A96.1Very high88.6Confident0 Ų057.8 Ų57.80%033%0.329CS..EExtended strand (participates in β ladder)trans-143.7167.6173.900000110.6F14 Q15 V16 E39 V40 I42F14-A31 HydrophobicContact CB-CB 4.3Å; Q15-A31 CarbonylContact O-C 3.54Å; Q15-A31 WeakPolarHBondContact O-CA 3.4Å; Q15-A31 WeakPolarHBondContact O-CB 3.39Å; V16-A31 HydrophobicContact CG2-CB 4.41Å; A31-E39 WeakPolarHBondContact O-CA 3.46Å; A31-V40 HydrophobicContact CB-CG2 3.94Å; A31-V40 PolarHBondContact N-O 3.36Å; A31-V40 PolarHBondContact O-N 3.11Å; A31-V40 VanDerWaalsContact O-O 3.09Å; A31-I42 HydrophobicContact CB-CD1 3.44Å; A31-I42 VanDerWaalsContact CB-CD1 3.44Å; A31-I42 HydrophobicContact CB-CG1 3.82Å
32K96Very high89.2Confident82 Ų8256.8 Ų56.836%0.35732%0.317SS..EExtended strand (participates in β ladder)trans-128.5129.6171-176.7179.3-174.5-177.80108.6F14 Q15 F17 T34 G37 Q38F14-K32 WeakPolarHBondContact CA-O 2.96Å; Q15-K32 PolarHBondContact N-O 3.19Å; Q15-K32 PolarHBondContact O-N 3.49Å; F17-K32 HydrophobicContact CE2-CB 3.6Å; F17-K32 HydrophobicContact CZ-CB 4.17Å; K32-T34 PolarHBondContact O-N 3.15Å; K32-G37 WeakPolarHBondContact CE-O 3.46Å; K32-G37 WeakPolarHBondContact CG-O 3.33Å; K32-Q38 CarbonylContact C-O 3.55Å; K32-Q38 WeakPolarHBondContact CA-O 3.18Å
33S92.4Very high89.8Confident12 Ų1250.6 Ų50.68%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-62127172.5177.30000108.9I35 T36 G37 Q38S33-I35 PolarHBondContact O-N 3.45Å; S33-I35 PolarHBondContact OG-N 3.03Å; S33-T36 VanDerWaalsContact CB-OG1 3.23Å; S33-T36 WeakPolarHBondContact CB-OG1 3.44Å; S33-T36 PolarHBondContact OG-N 3.48Å; S33-T36 PolarHBondContact OG-OG1 3.25Å; S33-G37 WeakPolarHBondContact O-CA 3.45Å; S33-G37 PolarHBondContact O-N 3.11Å; S33-Q38 PolarHBondContact N-O 3.02Å
34T92.1Very high90.9Very high86 Ų8649.5 Ų49.553%0.52828%0.277SS..THydrogen-bonded Turntrans-70.8-24.917560.70000111.7D13 Q15 K32D13-T34 VanDerWaalsContact C-OG1 3.29Å; D13-T34 WeakPolarHBondContact O-CB 3.43Å; D13-T34 PolarHBondContact O-N 2.95Å; D13-T34 PolarHBondContact O-OG1 2.9Å; Q15-T34 HydrophobicContact CB-CG2 4.41Å; K32-T34 PolarHBondContact O-N 3.15Å
35I88.3Confident91.9Very high125 Ų12546.4 Ų46.464%0.64124%0.244SC*.THydrogen-bonded Turntrans-81.6-52.9-179.5-56173.5000110.7D13 S33D13-I35 HydrophobicContact CB-CD1 4.12Å; S33-I35 PolarHBondContact O-N 3.45Å; S33-I35 PolarHBondContact OG-N 3.03Å
36T89.9Confident92.6Very high96 Ų9645.2 Ų45.259%0.58924%0.241SC*.THydrogen-bonded Turntrans-96.6-14.9-173.667.50000113.6S33 Q38S33-T36 VanDerWaalsContact CB-OG1 3.23Å; S33-T36 WeakPolarHBondContact CB-OG1 3.44Å; S33-T36 PolarHBondContact OG-N 3.48Å; S33-T36 PolarHBondContact OG-OG1 3.25Å; T36-Q38 PolarHBondContact O-N 3.21Å; T36-Q38 VanDerWaalsContact OG1-CB 3.27Å; T36-Q38 WeakPolarHBondContact OG1-CB 3.2Å; T36-Q38 PolarHBondContact OG1-N 3.22Å
37G91.5Very high92.7Very high39 Ų3946 Ų4640%0.40224%0.242SC..  trans70.34.1-171.300000114.2K32 S33K32-G37 WeakPolarHBondContact CE-O 3.46Å; K32-G37 WeakPolarHBondContact CG-O 3.33Å; S33-G37 WeakPolarHBondContact O-CA 3.45Å; S33-G37 PolarHBondContact O-N 3.11Å
38Q92.4Very high92.4Very high88 Ų8849.9 Ų49.941%0.41126%0.257SS..  trans-75.9134.2-178.8-174.3175.9-0.400111.2K32 S33 T36 V40 Y78K32-Q38 CarbonylContact C-O 3.55Å; K32-Q38 WeakPolarHBondContact CA-O 3.18Å; S33-Q38 PolarHBondContact N-O 3.02Å; T36-Q38 PolarHBondContact O-N 3.21Å; T36-Q38 VanDerWaalsContact OG1-CB 3.27Å; T36-Q38 WeakPolarHBondContact OG1-CB 3.2Å; T36-Q38 PolarHBondContact OG1-N 3.22Å; Q38-V40 HydrophobicContact CG-CG1 4.41Å; Q38-Y78 PolarHBondContact NE2-OH 3.2Å; Q38-Y78 VanDerWaalsContact NE2-OH 3.17Å
39E95.7Very high91.7Very high64 Ų6448.4 Ų48.430%0.29925%0.25SC..EExtended strand (participates in β ladder)trans-76.4137.5170-68.1-165.3-176.500111.4R30 A31 I93R30-E39 IonicContact CZ-OE1 3.65Å; R30-E39 IonicContact CZ-OE2 3.29Å; R30-E39 VanDerWaalsContact CZ-OE2 3.29Å; R30-E39 IonicContact NE-OE1 2.66Å; R30-E39 IonicContact NE-OE2 2.68Å; R30-E39 PolarHBondContact NE-OE2 2.89Å; R30-E39 IonicContact NH2-OE1 2.81Å; R30-E39 PolarHBondContact NH2-OE1 3.18Å; R30-E39 IonicContact NH2-OE2 3.27Å; R30-E39 PolarHBondContact NH2-OE2 2.62Å; A31-E39 WeakPolarHBondContact O-CA 3.46Å; E39-I93 HydrophobicContact CB-CG2 4.09Å; E39-I93 WeakPolarHBondContact O-CG2 3.35Å
40V96Very high90.8Very high4 Ų445.9 Ų45.92%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-141.4164.2-174.4-59.70000110.4F14 A31 Q38 I42 Y78 V90 L91F14-V40 HydrophobicContact CD1-CG2 3.94Å; F14-V40 HydrophobicContact CE1-CG2 4.1Å; A31-V40 HydrophobicContact CB-CG2 3.94Å; A31-V40 PolarHBondContact N-O 3.36Å; A31-V40 PolarHBondContact O-N 3.11Å; A31-V40 VanDerWaalsContact O-O 3.09Å; Q38-V40 HydrophobicContact CG-CG1 4.41Å; V40-I42 HydrophobicContact CG2-CD1 4.46Å; V40-I42 HydrophobicContact CG2-CG1 4.1Å; V40-Y78 HydrophobicContact CG1-CD2 3.94Å; V40-Y78 HydrophobicContact CG1-CE2 3.93Å; V40-V90 HydrophobicContact CB-CG1 3.91Å; V40-V90 HydrophobicContact CG1-CG1 4.03Å; V40-V90 HydrophobicContact CG2-CG1 3.93Å; V40-L91 WeakPolarHBondContact CA-O 3.37Å; V40-L91 WeakPolarHBondContact CB-O 3.4Å
41A96.1Very high89.9Confident8 Ų847.6 Ų47.67%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-105.9131.9165.300000109.4L20 V28 Y29 L91 I93L20-A41 HydrophobicContact CD1-CB 4.14Å; V28-A41 HydrophobicContact CG1-CB 4.11Å; Y29-A41 CarbonylContact O-C 3.52Å; Y29-A41 WeakPolarHBondContact O-CA 3.48Å; A41-L91 HydrophobicContact CB-CB 4.31Å; A41-L91 PolarHBondContact N-O 3.13Å; A41-L91 WeakPolarHBondContact O-CB 3.21Å; A41-L91 PolarHBondContact O-N 3.21Å; A41-I93 HydrophobicContact CB-CD1 3.92Å
42I95.2Very high88.6Confident4 Ų454.8 Ų54.82%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-111.5111.1178.2-59.3-178.1000109F14 V28 Y29 A31 V40 M44 Y88 L89F14-I42 HydrophobicContact CB-CD1 3.65Å; F14-I42 HydrophobicContact CD1-CD1 3.91Å; F14-I42 HydrophobicContact CD2-CD1 4.17Å; F14-I42 HydrophobicContact CG-CD1 3.64Å; V28-I42 CarbonylContact C-O 3.56Å; V28-I42 WeakPolarHBondContact CA-O 3.45Å; Y29-I42 PolarHBondContact N-O 2.97Å; Y29-I42 PolarHBondContact O-N 2.82Å; A31-I42 HydrophobicContact CB-CD1 3.44Å; A31-I42 VanDerWaalsContact CB-CD1 3.44Å; A31-I42 HydrophobicContact CB-CG1 3.82Å; V40-I42 HydrophobicContact CG2-CD1 4.46Å; V40-I42 HydrophobicContact CG2-CG1 4.1Å; I42-M44 HydrophobicContact CG2-CG 3.98Å; I42-Y88 HydrophobicContact CG2-CD1 3.86Å; I42-L89 WeakPolarHBondContact CA-O 3.18Å
43K93.2Very high87.1Confident31 Ų3155.9 Ų55.914%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-87.3106.7171.5178.4176172.2-171.20108.4A26 Q27 V28 I45 E62 L89 L91A26-K43 HydrophobicContact CB-CG 4.08Å; Q27-K43 CarbonylContact O-C 3.54Å; Q27-K43 WeakPolarHBondContact O-CA 3.41Å; V28-K43 HydrophobicContact CG2-CB 4.03Å; V28-K43 HydrophobicContact CG2-CG 4.08Å; K43-I45 HydrophobicContact CG-CG1 4.24Å; K43-E62 IonicContact NZ-OE1 3.86Å; K43-E62 PolarHBondContact NZ-OE1 3.35Å; K43-E62 IonicContact NZ-OE2 2.84Å; K43-E62 PolarHBondContact NZ-OE2 3.05Å; K43-L89 HydrophobicContact CB-CB 4.22Å; K43-L89 HydrophobicContact CD-CD1 4.21Å; K43-L89 PolarHBondContact N-O 3.04Å; K43-L89 PolarHBondContact O-N 2.99Å; K43-L91 HydrophobicContact CB-CD1 4Å
44M92.6Very high86Confident23 Ų2361 Ų6111%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-92.5118.2177.5-60.9-178.452.800109.7A26 Q27 Y29 I42 Y86 Y88A26-M44 CarbonylContact C-O 3.56Å; A26-M44 WeakPolarHBondContact CA-O 3.35Å; Q27-M44 PolarHBondContact N-O 2.64Å; Q27-M44 PolarHBondContact O-N 2.85Å; Y29-M44 HydrophobicContact CD2-CG 4.26Å; Y29-M44 HydrophobicContact CD2-SD 3.68Å; Y29-M44 HydrophobicContact CE2-SD 3.73Å; I42-M44 HydrophobicContact CG2-CG 3.98Å; M44-Y86 HydrophobicContact CE-CD1 4.42Å; M44-Y86 HydrophobicContact CE-CD2 4.42Å; M44-Y86 HydrophobicContact CE-CG 4.32Å; M44-Y88 HydrophobicContact CE-CE1 3.59Å; M44-Y88 HydrophobicContact CG-CD1 3.69Å; M44-Y88 HydrophobicContact CG-CE1 3.72Å; M44-Y88 HydrophobicContact SD-CD1 4.43Å; M44-Y88 HydrophobicContact SD-CE1 3.93Å
45I89.3Confident85Confident7 Ų758.2 Ų58.24%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-111.5124.3-178-52.8173.5000108.9F25 A26 K43 K47 M50 V59 Y86 V87 L89F25-I45 WeakPolarHBondContact O-CA 3.31Å; A26-I45 HydrophobicContact CB-CG1 3.95Å; K43-I45 HydrophobicContact CG-CG1 4.24Å; I45-K47 PolarHBondContact O-N 3.3Å; I45-M50 HydrophobicContact CG2-CB 4.43Å; I45-M50 HydrophobicContact CG2-SD 4.49Å; I45-V59 HydrophobicContact CD1-CG1 3.87Å; I45-V59 HydrophobicContact CD1-CG2 4.05Å; I45-V59 HydrophobicContact CG2-CG2 4.37Å; I45-Y86 CarbonylContact O-C 3.55Å; I45-Y86 VanDerWaalsContact O-CA 3.25Å; I45-Y86 WeakPolarHBondContact O-CA 3.48Å; I45-V87 HydrophobicContact CB-CB 4.33Å; I45-V87 PolarHBondContact N-O 2.96Å; I45-V87 PolarHBondContact O-N 3.11Å; I45-L89 HydrophobicContact CD1-CD1 4.04Å; I45-L89 HydrophobicContact CD1-CG 4.49Å
46D88.2Confident84.4Confident54 Ų5452.9 Ų52.929%0.28927%0.267SS..EExtended strand (participates in β ladder)trans-70.3121.4177.8173.120.2000111F25 K48 G49 M50 Y86F25-D46 PolarHBondContact O-N 3.04Å; F25-D46 VanDerWaalsContact O-N 3.14Å; D46-K48 VanDerWaalsContact C-N 3.34Å; D46-K48 PolarHBondContact O-N 2.77Å; D46-K48 PolarHBondContact OD1-N 3.3Å; D46-G49 PolarHBondContact OD2-N 3.34Å; D46-M50 WeakPolarHBondContact O-CB 3.26Å; D46-M50 PolarHBondContact O-N 3.05Å; D46-Y86 HydrophobicContact CB-CD1 4.33Å; D46-Y86 HydrophobicContact CB-CE1 4.1Å
47K87.2Confident83.5Confident33 Ų3351.3 Ų51.314%0.14326%0.255CS..Hα-helixtrans-64.8-36.7178.4-73.2-179169.1-170.50112.4I45 M50 L51 E82 D83 N85 Y86 V87I45-K47 PolarHBondContact O-N 3.3Å; K47-M50 HydrophobicContact CG-CE 4.45Å; K47-M50 PolarHBondContact O-N 2.95Å; K47-L51 WeakPolarHBondContact O-CB 3.39Å; K47-L51 WeakPolarHBondContact O-CG 3.37Å; K47-L51 PolarHBondContact O-N 3.32Å; K47-E82 WeakPolarHBondContact CE-OE2 3.33Å; K47-E82 IonicContact NZ-OE1 3.04Å; K47-E82 IonicContact NZ-OE2 2.81Å; K47-E82 PolarHBondContact NZ-OE2 3.38Å; K47-D83 VanDerWaalsContact CE-O 3.23Å; K47-D83 WeakPolarHBondContact CE-O 3.31Å; K47-D83 PolarHBondContact NZ-O 3.28Å; K47-N85 VanDerWaalsContact CB-O 3.32Å; K47-N85 WeakPolarHBondContact CB-O 3.48Å; K47-N85 PolarHBondContact N-O 3.09Å; K47-Y86 WeakPolarHBondContact CE-O 3.41Å; K47-V87 HydrophobicContact CG-CG2 4Å
48K83.2Confident82.6Confident134 Ų13454.7 Ų54.758%0.58326%0.256SS*.Hα-helixtrans-68.9-51179.9-68.4-176.6-179.41790110D46 M50 L51 Q52D46-K48 VanDerWaalsContact C-N 3.34Å; D46-K48 PolarHBondContact O-N 2.77Å; D46-K48 PolarHBondContact OD1-N 3.3Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.96Å; K48-L51 PolarHBondContact O-N 3.35Å; K48-Q52 WeakPolarHBondContact O-CB 3.48Å; K48-Q52 VanDerWaalsContact O-CG 3.31Å; K48-Q52 WeakPolarHBondContact O-CG 3.46Å; K48-Q52 PolarHBondContact O-N 3.42Å
49G78.5Confident81.8Confident5 Ų550.9 Ų50.95%0.05224%0.239CC..Hα-helixtrans-57.5-42.9172.300000112.7D46 L51 Q52 H53D46-G49 PolarHBondContact OD2-N 3.34Å; G49-L51 VanDerWaalsContact C-N 3.32Å; G49-L51 PolarHBondContact O-N 2.73Å; G49-Q52 PolarHBondContact O-N 2.97Å; G49-H53 WeakPolarHBondContact O-CB 3.49Å; G49-H53 PolarHBondContact O-CD2 2.86Å; G49-H53 PolarHBondContact O-N 3.41Å
50M78Confident81.1Confident1 Ų151.2 Ų51.21%0.00524%0.237CC..Hα-helixtrans-59.7-39.7177-179.1-177.969.700112.7M1 I45 D46 K47 K48 R54 L55 A56 V59 V87M1-M50 HydrophobicContact CE-CE 3.77Å; M1-M50 HydrophobicContact SD-CE 4.09Å; I45-M50 HydrophobicContact CG2-CB 4.43Å; I45-M50 HydrophobicContact CG2-SD 4.49Å; D46-M50 WeakPolarHBondContact O-CB 3.26Å; D46-M50 PolarHBondContact O-N 3.05Å; K47-M50 HydrophobicContact CG-CE 4.45Å; K47-M50 PolarHBondContact O-N 2.95Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.96Å; M50-R54 PolarHBondContact O-N 2.97Å; M50-L55 HydrophobicContact CG-CB 4Å; M50-L55 PolarHBondContact O-N 3.4Å; M50-A56 HydrophobicContact CE-CB 4.15Å; M50-A56 HydrophobicContact CG-CB 4.21Å; M50-A56 HydrophobicContact SD-CB 4.29Å; M50-V59 HydrophobicContact CG-CG2 4.2Å; M50-V59 HydrophobicContact SD-CB 3.75Å; M50-V59 HydrophobicContact SD-CG1 4.1Å; M50-V59 HydrophobicContact SD-CG2 3.58Å; M50-V59 VanDerWaalsContact SD-CG2 3.58Å; M50-V87 HydrophobicContact CE-CG2 4.49Å
51L76.1Confident80.3Confident104 Ų10453.8 Ų53.855%0.54525%0.246SC..Hα-helixtrans-71-47.5175.6-79.2171.5000111.9M1 K47 K48 G49 H53 R54M1-L51 HydrophobicContact CE-CD1 4.08Å; M1-L51 HydrophobicContact CE-CD2 3.35Å; M1-L51 HydrophobicContact CE-CG 3.72Å; K47-L51 WeakPolarHBondContact O-CB 3.39Å; K47-L51 WeakPolarHBondContact O-CG 3.37Å; K47-L51 PolarHBondContact O-N 3.32Å; K48-L51 PolarHBondContact O-N 3.35Å; G49-L51 VanDerWaalsContact C-N 3.32Å; G49-L51 PolarHBondContact O-N 2.73Å; L51-H53 PolarHBondContact O-N 3.26Å; L51-R54 PolarHBondContact O-N 3.37Å
52Q69.6Low79.7Confident151 Ų15154 Ų5471%0.70625%0.246SC*.Hα-helixtrans-57.3-39.1178.4-73.8173.5-12.400112K48 G49K48-Q52 WeakPolarHBondContact O-CB 3.48Å; K48-Q52 VanDerWaalsContact O-CG 3.31Å; K48-Q52 WeakPolarHBondContact O-CG 3.46Å; K48-Q52 PolarHBondContact O-N 3.42Å; G49-Q52 PolarHBondContact O-N 2.97Å
53H64.5Low79.2Confident104 Ų10454.7 Ų54.748%0.48125%0.25SS..THydrogen-bonded Turntrans-93.38.3179.7-68.6-85.3000114.1F25 G49 L51 L55F25-H53 AromaticContact CD1-CD2 3.65Å; F25-H53 HydrophobicContact CE1-CB 4.04Å; F25-H53 AromaticContact CE1-CD2 3.01Å; F25-H53 WeakPolarHBondContact CE1-CD2 3.41Å; F25-H53 AromaticContact CE1-CE1 3.61Å; F25-H53 AromaticContact CE1-CG 3.28Å; F25-H53 AromaticContact CE1-ND1 3.64Å; F25-H53 AromaticContact CE1-NE2 3.25Å; F25-H53 WeakPolarHBondContact CE1-NE2 3.2Å; F25-H53 HydrophobicContact CE2-CB 4.42Å; F25-H53 HydrophobicContact CZ-CB 3.93Å; F25-H53 AromaticContact CZ-CD2 3.66Å; F25-H53 AromaticContact CZ-CE1 3.76Å; F25-H53 AromaticContact CZ-CG 3.39Å; F25-H53 AromaticContact CZ-ND1 3.47Å; F25-H53 WeakPolarHBondContact CZ-ND1 3.29Å; F25-H53 AromaticContact CZ-NE2 3.88Å; G49-H53 WeakPolarHBondContact O-CB 3.49Å; G49-H53 PolarHBondContact O-CD2 2.86Å; G49-H53 PolarHBondContact O-N 3.41Å; L51-H53 PolarHBondContact O-N 3.26Å; H53-L55 HydrophobicContact CB-CD1 3.87Å; H53-L55 HydrophobicContact CB-CG 3.96Å; H53-L55 PolarHBondContact O-N 2.82Å
54R68.3Low78.9Confident119 Ų11957.8 Ų57.845%0.44927%0.265SS..THydrogen-bonded Turntrans54.234.1179.3-55-177-179.4-144.14.1113.6M50 L51 E663M50-R54 PolarHBondContact O-N 2.97Å; L51-R54 PolarHBondContact O-N 3.37Å; R54-E663 IonicContact CZ-OE1 3.02Å; R54-E663 IonicContact NH1-OE1 2.78Å; R54-E663 IonicContact NH2-OE1 3.82Å; R54-E663 PolarHBondContact NH2-OE1 2.87Å
55L72.2Confident78.7Confident28 Ų2857.4 Ų57.415%0.14726%0.264CS..  trans-90.9-4.1-176.7-66.6172.2000114.1F25 M50 H53 N57 R58 V59F25-L55 HydrophobicContact CB-CD1 4.38Å; F25-L55 HydrophobicContact CD1-CD1 4.47Å; F25-L55 HydrophobicContact CD2-CD1 3.1Å; F25-L55 HydrophobicContact CE2-CD1 3.4Å; F25-L55 HydrophobicContact CG-CD1 3.7Å; F25-L55 HydrophobicContact CZ-CD1 4.23Å; M50-L55 HydrophobicContact CG-CB 4Å; M50-L55 PolarHBondContact O-N 3.4Å; H53-L55 HydrophobicContact CB-CD1 3.87Å; H53-L55 HydrophobicContact CB-CG 3.96Å; H53-L55 PolarHBondContact O-N 2.82Å; L55-N57 PolarHBondContact O-N 2.94Å; L55-N57 VanDerWaalsContact O-N 3.14Å; L55-R58 WeakPolarHBondContact O-CA 3.44Å; L55-R58 WeakPolarHBondContact O-CB 3.25Å; L55-R58 PolarHBondContact O-N 3.46Å; L55-V59 PolarHBondContact O-N 2.77Å; L55-V59 VanDerWaalsContact O-N 3.07Å
56A75Confident78.8Confident14 Ų1457.3 Ų57.312%0.11626%0.263CS..Hα-helixtrans-55-37.1-174.900000113.8M1 M50 R60M1-A56 HydrophobicContact CE-CB 4.12Å; M50-A56 HydrophobicContact CE-CB 4.15Å; M50-A56 HydrophobicContact CG-CB 4.21Å; M50-A56 HydrophobicContact SD-CB 4.29Å; A56-R60 PolarHBondContact O-N 3.23Å
57N71.8Confident78.9Confident63 Ų6358 Ų5834%0.33727%0.272SS..Hα-helixtrans-70.9-33.7176.9-70.1-13.9000112.3L55 R61 I674L55-N57 PolarHBondContact O-N 2.94Å; L55-N57 VanDerWaalsContact O-N 3.14Å; N57-R61 WeakPolarHBondContact O-CB 3.43Å; N57-R61 PolarHBondContact O-N 3.33Å; N57-I674 PolarHBondContact ND2-O 2.92Å
58R71.3Confident79.1Confident109 Ų10963.8 Ų63.841%0.41129%0.293SS..Hα-helixtrans-66.4-45175-67.6-170-176.4170.8-3.3111L55 R61 E62L55-R58 WeakPolarHBondContact O-CA 3.44Å; L55-R58 WeakPolarHBondContact O-CB 3.25Å; L55-R58 PolarHBondContact O-N 3.46Å; R58-R61 PolarHBondContact O-N 3.2Å; R58-E62 WeakPolarHBondContact O-CB 3.48Å; R58-E62 PolarHBondContact O-N 2.8Å
59V77.1Confident79.6Confident9 Ų957.8 Ų57.86%0.05527%0.267CS..Hα-helixtrans-65.3-42.8177.8178.70000111.3I45 M50 L55 R61 E62 V63 V87I45-V59 HydrophobicContact CD1-CG1 3.87Å; I45-V59 HydrophobicContact CD1-CG2 4.05Å; I45-V59 HydrophobicContact CG2-CG2 4.37Å; M50-V59 HydrophobicContact CG-CG2 4.2Å; M50-V59 HydrophobicContact SD-CB 3.75Å; M50-V59 HydrophobicContact SD-CG1 4.1Å; M50-V59 HydrophobicContact SD-CG2 3.58Å; M50-V59 VanDerWaalsContact SD-CG2 3.58Å; L55-V59 PolarHBondContact O-N 2.77Å; L55-V59 VanDerWaalsContact O-N 3.07Å; V59-R61 VanDerWaalsContact C-N 3.33Å; V59-R61 PolarHBondContact O-N 2.84Å; V59-E62 PolarHBondContact O-N 2.93Å; V59-V63 WeakPolarHBondContact O-CG2 3.28Å; V59-V63 PolarHBondContact O-N 3.34Å; V59-V87 HydrophobicContact CG1-CG1 4.4Å
60R80.5Confident80.3Confident70 Ų7064.7 Ų64.726%0.26430%0.296SS..Hα-helixtrans-56-47.6173-88.8-167.6-173.789.317.8112.3M1 F4 A56 V63 E64M1-R60 VanDerWaalsContact CB-NH2 3.26Å; M1-R60 VanDerWaalsContact CG-NH2 3.28Å; F4-R60 HydrophobicContact CE1-CB 4.46Å; F4-R60 HydrophobicContact CE1-CG 3.79Å; F4-R60 HydrophobicContact CE2-CG 4.26Å; F4-R60 HydrophobicContact CZ-CB 4.17Å; F4-R60 HydrophobicContact CZ-CG 3.31Å; A56-R60 PolarHBondContact O-N 3.23Å; R60-V63 PolarHBondContact O-N 3.02Å; R60-E64 WeakPolarHBondContact O-CB 3.48Å; R60-E64 PolarHBondContact O-N 2.81Å
61R77.6Confident81.2Confident58 Ų5866.4 Ų66.422%0.21930%0.304CS..Hα-helixtrans-67.3-40-179.1-169.9178.1-63.3147.8-3.6112.1N57 R58 V59 V63 E64 I65 A159N57-R61 WeakPolarHBondContact O-CB 3.43Å; N57-R61 PolarHBondContact O-N 3.33Å; R58-R61 PolarHBondContact O-N 3.2Å; V59-R61 VanDerWaalsContact C-N 3.33Å; V59-R61 PolarHBondContact O-N 2.84Å; R61-V63 VanDerWaalsContact C-N 3.35Å; R61-E64 PolarHBondContact O-N 2.95Å; R61-I65 HydrophobicContact CG-CD1 3.74Å; R61-I65 HydrophobicContact CG-CG1 4.26Å; R61-I65 WeakPolarHBondContact O-CB 3.45Å; R61-I65 WeakPolarHBondContact O-CG1 3.45Å; R61-I65 PolarHBondContact O-N 3.11Å; R61-A159 VanDerWaalsContact CD-O 3.26Å; R61-A159 WeakPolarHBondContact CD-O 3.3Å
62E83.9Confident82.1Confident13 Ų1366.3 Ų66.36%0.06131%0.309CS..Hα-helixtrans-55.2-52.3172.5-171.4177.6169.500109.5K43 R58 V59 E64 H66 F156K43-E62 IonicContact NZ-OE1 3.86Å; K43-E62 PolarHBondContact NZ-OE1 3.35Å; K43-E62 IonicContact NZ-OE2 2.84Å; K43-E62 PolarHBondContact NZ-OE2 3.05Å; R58-E62 WeakPolarHBondContact O-CB 3.48Å; R58-E62 PolarHBondContact O-N 2.8Å; V59-E62 PolarHBondContact O-N 2.93Å; E62-E64 PolarHBondContact O-N 2.82Å; E62-H66 WeakPolarHBondContact O-CA 3.42Å; E62-H66 WeakPolarHBondContact O-CB 3.26Å; E62-H66 PolarHBondContact O-N 2.74Å; E62-F156 HydrophobicContact CG-CB 4.33Å
63V85.4Confident83.4Confident18 Ų1859.5 Ų59.511%0.10928%0.278CS..Hα-helixtrans-61.8-45.3178.3178.20000111.9F4 V59 R60 R61 S67 C80 L89F4-V63 HydrophobicContact CD1-CG1 4.24Å; F4-V63 HydrophobicContact CD1-CG2 4.5Å; F4-V63 HydrophobicContact CE1-CB 4.1Å; F4-V63 HydrophobicContact CE1-CG1 4.28Å; F4-V63 HydrophobicContact CE1-CG2 4.1Å; V59-V63 WeakPolarHBondContact O-CG2 3.28Å; V59-V63 PolarHBondContact O-N 3.34Å; R60-V63 PolarHBondContact O-N 3.02Å; R61-V63 VanDerWaalsContact C-N 3.35Å; V63-S67 WeakPolarHBondContact O-CB 3.18Å; V63-S67 PolarHBondContact O-N 2.78Å; V63-S67 PolarHBondContact O-OG 2.74Å; V63-C80 HydrophobicContact CG1-CB 4.13Å; V63-C80 HydrophobicContact CG2-CB 4.5Å; V63-L89 HydrophobicContact CG2-CD2 3.57Å
64E87.4Confident84.9Confident97 Ų9754.6 Ų54.645%0.45326%0.256SS..Hα-helixtrans-62.2-47.9-178.4-172.2-169.3167.200112.5R60 R61 E62 S67 R68R60-E64 WeakPolarHBondContact O-CB 3.48Å; R60-E64 PolarHBondContact O-N 2.81Å; R61-E64 PolarHBondContact O-N 2.95Å; E62-E64 PolarHBondContact O-N 2.82Å; E64-S67 PolarHBondContact O-OG 3.01Å; E64-R68 IonicContact OE1-CZ 3.41Å; E64-R68 IonicContact OE1-NH1 2.72Å; E64-R68 PolarHBondContact OE1-NH1 2.83Å; E64-R68 IonicContact OE1-NH2 2.75Å; E64-R68 PolarHBondContact OE1-NH2 3.03Å
65I87.6Confident86.3Confident15 Ų1549.3 Ų49.38%0.07724%0.236CC..Hα-helixtrans-70.8-53.5-179.6-67.7177.9000109.1R61 S67 R68 L69 I133 F156 A159R61-I65 HydrophobicContact CG-CD1 3.74Å; R61-I65 HydrophobicContact CG-CG1 4.26Å; R61-I65 WeakPolarHBondContact O-CB 3.45Å; R61-I65 WeakPolarHBondContact O-CG1 3.45Å; R61-I65 PolarHBondContact O-N 3.11Å; I65-S67 PolarHBondContact O-N 3.48Å; I65-R68 PolarHBondContact O-N 2.73Å; I65-R68 VanDerWaalsContact O-N 3.14Å; I65-L69 HydrophobicContact CG2-CD1 4.17Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-I133 HydrophobicContact CG2-CD1 3.9Å; I65-I133 HydrophobicContact CG2-CG1 4.45Å; I65-I133 HydrophobicContact CG2-CG2 4.16Å; I65-F156 HydrophobicContact CG2-CD1 4.5Å; I65-A159 HydrophobicContact CD1-CB 3.98Å; I65-A159 HydrophobicContact CG2-CB 4.42Å
66H91.5Very high87.4Confident4 Ų450.8 Ų50.82%0.01924%0.242CC..Hα-helixtrans-65.7-36.3-169.8-164.8178.4000112.7E62 R68 L69 L75 L77 F156E62-H66 WeakPolarHBondContact O-CA 3.42Å; E62-H66 WeakPolarHBondContact O-CB 3.26Å; E62-H66 PolarHBondContact O-N 2.74Å; H66-R68 PolarHBondContact O-N 2.9Å; H66-R68 VanDerWaalsContact O-N 3.13Å; H66-L69 PolarHBondContact O-N 3.08Å; H66-L69 VanDerWaalsContact O-N 3.08Å; H66-L75 PolarHBondContact NE2-O 3.07Å; H66-L77 HydrophobicContact CB-CB 4.48Å; H66-L77 HydrophobicContact CB-CD2 4.07Å; H66-F156 HydrophobicContact CB-CB 4.47Å; H66-F156 HydrophobicContact CB-CD2 4.19Å; H66-F156 AromaticContact CD2-CD2 3.81Å; H66-F156 AromaticContact CD2-CE2 3.87Å; H66-F156 AromaticContact CE1-CD2 3.95Å; H66-F156 AromaticContact CG-CD2 3.7Å; H66-F156 AromaticContact ND1-CD2 3.8Å; H66-F156 AromaticContact NE2-CD2 3.97Å; H66-F156 AromaticContact NE2-CE2 3.86Å
67S90.2Very high88.2Confident69 Ų6950.9 Ų50.948%0.48324%0.241SC..THydrogen-bonded Turntrans-62.4-19.217759.90000114.3V63 E64 I65V63-S67 WeakPolarHBondContact O-CB 3.18Å; V63-S67 PolarHBondContact O-N 2.78Å; V63-S67 PolarHBondContact O-OG 2.74Å; E64-S67 PolarHBondContact O-OG 3.01Å; I65-S67 PolarHBondContact O-N 3.48Å
68R90.6Very high89.2Confident154 Ų15451.7 Ų51.758%0.58124%0.24SC*.THydrogen-bonded Turntrans-94.8-6.6178.9-59.9176.1-174.8157.97.3113E64 I65 H66E64-R68 IonicContact OE1-CZ 3.41Å; E64-R68 IonicContact OE1-NH1 2.72Å; E64-R68 PolarHBondContact OE1-NH1 2.83Å; E64-R68 IonicContact OE1-NH2 2.75Å; E64-R68 PolarHBondContact OE1-NH2 3.03Å; I65-R68 PolarHBondContact O-N 2.73Å; I65-R68 VanDerWaalsContact O-N 3.14Å; H66-R68 PolarHBondContact O-N 2.9Å; H66-R68 VanDerWaalsContact O-N 3.13Å
69L93.4Very high90.1Very high8 Ų848.1 Ų48.14%0.04223%0.23CC..  trans-93.3128.2-174.8-54.9179.8000111.2I65 H66 I74 Y127 L128 I133 F156I65-L69 HydrophobicContact CG2-CD1 4.17Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; H66-L69 PolarHBondContact O-N 3.08Å; H66-L69 VanDerWaalsContact O-N 3.08Å; L69-I74 HydrophobicContact CB-CG2 4.1Å; L69-I74 HydrophobicContact CD1-CG2 4.24Å; L69-Y127 HydrophobicContact CB-CE1 4.22Å; L69-Y127 HydrophobicContact CD2-CE1 3.85Å; L69-L128 HydrophobicContact CD1-CD2 3.69Å; L69-L128 HydrophobicContact CD2-CD2 3.98Å; L69-L128 HydrophobicContact CG-CD2 4.46Å; L69-I133 HydrophobicContact CD2-CD1 3.64Å; L69-F156 HydrophobicContact CD1-CD1 3.86Å; L69-F156 HydrophobicContact CD1-CD2 4.38Å; L69-F156 HydrophobicContact CD1-CE1 3.45Å; L69-F156 VanDerWaalsContact CD1-CE1 3.45Å; L69-F156 HydrophobicContact CD1-CE2 4.02Å; L69-F156 HydrophobicContact CD1-CG 4.32Å; L69-F156 HydrophobicContact CD1-CZ 3.54Å
70K93.6Very high90.6Very high151 Ų15148.3 Ų48.366%0.65723%0.232SC*.  trans-141.8101.7174.6-168.7168.4-169.51650110.6E76 Y127K70-E76 IonicContact NZ-OE1 3.49Å; K70-Y127 PolarHBondContact N-OH 2.88Å
71H96.6Very high91.1Very high37 Ų3745.4 Ų45.417%0.17122%0.221CC..  trans-157143.2-178.8-178-90000110.9S73 I74 S123 Y127H71-S73 VanDerWaalsContact C-N 3.26Å; H71-S73 PolarHBondContact CE1-OG 2.94Å; H71-S73 PolarHBondContact ND1-N 3.14Å; H71-S73 PolarHBondContact O-N 3.43Å; H71-S73 VanDerWaalsContact O-N 3.15Å; H71-I74 HydrophobicContact CB-CB 4.23Å; H71-I74 HydrophobicContact CB-CD1 3.95Å; H71-I74 HydrophobicContact CB-CG1 4.3Å; H71-I74 PolarHBondContact O-N 2.78Å; H71-S123 PolarHBondContact CE1-OG 3.47Å; H71-S123 VanDerWaalsContact CE1-OG 3.3Å; H71-S123 PolarHBondContact NE2-O 3.04Å; H71-S123 PolarHBondContact NE2-OG 2.97Å; H71-S123 VanDerWaalsContact NE2-OG 3.14Å; H71-Y127 HydrophobicContact CB-CD1 3.88Å; H71-Y127 HydrophobicContact CB-CD2 4.16Å; H71-Y127 HydrophobicContact CB-CE1 4.06Å; H71-Y127 HydrophobicContact CB-CE2 4.35Å; H71-Y127 HydrophobicContact CB-CG 3.9Å; H71-Y127 AromaticContact CD2-CD2 3.93Å; H71-Y127 AromaticContact CD2-CG 3.87Å; H71-Y127 AromaticContact CG-CG 3.97Å
72P96.1Very high91.7Very high101 Ų10145.1 Ų45.166%0.65622%0.222SC*.THydrogen-bonded Turntrans-55.3-35.7-177.1-28.535.7000115.1K152P72-K152 WeakPolarHBondContact O-CE 3.4Å; P72-K152 PolarHBondContact O-NZ 2.89Å
73S96.8Very high92Very high8 Ų847.1 Ų47.16%0.05623%0.233CC..THydrogen-bonded Turntrans-90.59.3178.7-43.30000114.7H71 Q120 V151 K152 I153H71-S73 VanDerWaalsContact C-N 3.26Å; H71-S73 PolarHBondContact CE1-OG 2.94Å; H71-S73 PolarHBondContact ND1-N 3.14Å; H71-S73 PolarHBondContact O-N 3.43Å; H71-S73 VanDerWaalsContact O-N 3.15Å; S73-Q120 WeakPolarHBondContact CB-O 3.38Å; S73-Q120 PolarHBondContact OG-O 2.95Å; S73-V151 WeakPolarHBondContact CA-O 3.37Å; S73-K152 WeakPolarHBondContact O-CA 3.36Å; S73-I153 PolarHBondContact O-N 2.84Å
74I96.7Very high92.1Very high2 Ų254.7 Ų54.71%0.0127%0.268CS..BIsolated β-bridgetrans-116.9138.5174-71.1166.6000107.3L69 H71 E76 Y127 L128 K152 I153 F156L69-I74 HydrophobicContact CB-CG2 4.1Å; L69-I74 HydrophobicContact CD1-CG2 4.24Å; H71-I74 HydrophobicContact CB-CB 4.23Å; H71-I74 HydrophobicContact CB-CD1 3.95Å; H71-I74 HydrophobicContact CB-CG1 4.3Å; H71-I74 PolarHBondContact O-N 2.78Å; I74-E76 PolarHBondContact O-N 3.15Å; I74-Y127 HydrophobicContact CD1-CD1 3.33Å; I74-Y127 HydrophobicContact CD1-CE1 3.82Å; I74-Y127 HydrophobicContact CD1-CG 4.32Å; I74-L128 HydrophobicContact CD1-CD2 3.54Å; I74-L128 HydrophobicContact CD1-CG 3.84Å; I74-K152 PolarHBondContact O-NZ 2.81Å; I74-I153 HydrophobicContact CG1-CB 4.45Å; I74-F156 HydrophobicContact CG1-CZ 4.49Å; I74-F156 HydrophobicContact CG2-CE2 3.9Å; I74-F156 HydrophobicContact CG2-CZ 3.65Å
75L96.3Very high92.2Very high7 Ų753.3 Ų53.34%0.03726%0.263CS..  trans-62.9128.9174.3-169.971.2000108.9H66 L91 E92 L144 K152 I153 A154H66-L75 PolarHBondContact NE2-O 3.07Å; L75-L91 HydrophobicContact CD2-CB 4.28Å; L75-L91 HydrophobicContact CD2-CD1 4.23Å; L75-L91 HydrophobicContact CD2-CD2 4.2Å; L75-L91 HydrophobicContact CD2-CG 4.48Å; L75-E92 HydrophobicContact CD1-CB 4.02Å; L75-E92 WeakPolarHBondContact CD1-O 3.17Å; L75-L144 HydrophobicContact CD1-CD1 4.04Å; L75-L144 HydrophobicContact CD2-CD1 3.91Å; L75-K152 HydrophobicContact CB-CB 4.46Å; L75-K152 HydrophobicContact CD1-CD 4.29Å; L75-I153 WeakPolarHBondContact CB-O 3.4Å; L75-I153 PolarHBondContact N-O 2.92Å; L75-A154 HydrophobicContact CB-CB 4.26Å; L75-A154 HydrophobicContact CD2-CB 3.93Å
76E95Very high92.3Very high60 Ų6056.7 Ų56.728%0.2828%0.276SS..  trans-82.6134.8179.8-167.1166.1-170.700111.2K70 I74 Y78 L91 E92K70-E76 IonicContact NZ-OE1 3.49Å; I74-E76 PolarHBondContact O-N 3.15Å; E76-Y78 HydrophobicContact CB-CD1 4.42Å; E76-Y78 HydrophobicContact CB-CE1 4.04Å; E76-Y78 HydrophobicContact CG-CD1 3.87Å; E76-Y78 HydrophobicContact CG-CE1 3.8Å; E76-L91 WeakPolarHBondContact O-CA 3.2Å; E76-E92 HydrophobicContact CB-CB 4.21Å; E76-E92 PolarHBondContact N-OE2 2.87Å; E76-E92 PolarHBondContact O-N 3.12Å
77L93.5Very high92.3Very high16 Ų1656.5 Ų56.58%0.08428%0.275CS..EExtended strand (participates in β ladder)trans-95.5107.1166.2175.666.1000108H66 T79 L89 L91H66-L77 HydrophobicContact CB-CB 4.48Å; H66-L77 HydrophobicContact CB-CD2 4.07Å; L77-T79 WeakPolarHBondContact CD1-O 3.41Å; L77-L89 HydrophobicContact CD1-CB 3.87Å; L77-L89 HydrophobicContact CD1-CD2 4.14Å; L77-L91 HydrophobicContact CB-CD2 4.14Å; L77-L91 HydrophobicContact CD1-CD2 3.67Å; L77-L91 HydrophobicContact CD1-CG 4.45Å
78Y91Very high92.4Very high79 Ų7953.4 Ų53.431%0.3125%0.252SS..EExtended strand (participates in β ladder)trans-73.5-45.8-178.9-62.7-42.7000112.1Q38 V40 E76 V90 E92Q38-Y78 PolarHBondContact NE2-OH 3.2Å; Q38-Y78 VanDerWaalsContact NE2-OH 3.17Å; V40-Y78 HydrophobicContact CG1-CD2 3.94Å; V40-Y78 HydrophobicContact CG1-CE2 3.93Å; E76-Y78 HydrophobicContact CB-CD1 4.42Å; E76-Y78 HydrophobicContact CB-CE1 4.04Å; E76-Y78 HydrophobicContact CG-CD1 3.87Å; E76-Y78 HydrophobicContact CG-CE1 3.8Å; Y78-V90 HydrophobicContact CD2-CG1 4.29Å; Y78-V90 PolarHBondContact N-O 3.02Å; Y78-E92 HydrophobicContact CE2-CB 4.23Å
79T90.4Very high92.4Very high35 Ų3546 Ų4622%0.21523%0.225CC..EExtended strand (participates in β ladder)trans-160.7164.4178.3-170.10000111.4L77 F81 V90L77-T79 WeakPolarHBondContact CD1-O 3.41Å; T79-F81 HydrophobicContact CG2-CD1 4.48Å; T79-V90 HydrophobicContact CG2-CB 3.7Å; T79-V90 HydrophobicContact CG2-CG1 4.42Å; T79-V90 HydrophobicContact CG2-CG2 3.58Å; T79-V90 PolarHBondContact N-O 3.43Å; T79-V90 PolarHBondContact O-N 3.04Å
80C89.4Confident92.5Very high12 Ų1245.8 Ų45.88%0.08122%0.224CC..EExtended strand (participates in β ladder)trans-133135.3173.4172.90000108.5G6 V63 Y88 L89G6-C80 WeakPolarHBondContact CA-O 3.18Å; G6-C80 PolarHBondContact N-O 2.59Å; V63-C80 HydrophobicContact CG1-CB 4.13Å; V63-C80 HydrophobicContact CG2-CB 4.5Å; C80-Y88 VanDerWaalsContact CA-O 3.29Å; C80-Y88 WeakPolarHBondContact CA-O 3.46Å; C80-L89 HydrophobicContact CB-CD2 3.74Å; C80-L89 VanDerWaalsContact SG-CD2 3.52Å
81F90.7Very high92.5Very high9 Ų939.2 Ų39.24%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-144.8169.4173.361.9-90.2000109.8C9 K11 F14 T79 Y88 V90C9-F81 HydrophobicContact CB-CD1 4Å; C9-F81 HydrophobicContact CB-CE1 4.49Å; C9-F81 HydrophobicContact CB-CG 4.47Å; K11-F81 HydrophobicContact CB-CE2 4.29Å; F14-F81 HydrophobicContact CD2-CE1 4.3Å; F14-F81 HydrophobicContact CD2-CZ 4.21Å; F14-F81 AromaticContact CE2-CE1 3.73Å; F14-F81 HydrophobicContact CE2-CE1 3.73Å; F14-F81 HydrophobicContact CE2-CZ 4.09Å; T79-F81 HydrophobicContact CG2-CD1 4.48Å; F81-Y88 AromaticContact CD2-CD2 3.64Å; F81-Y88 HydrophobicContact CD2-CD2 3.64Å; F81-Y88 HydrophobicContact CD2-CE2 4.45Å; F81-Y88 AromaticContact CD2-CG 3.96Å; F81-Y88 HydrophobicContact CD2-CG 3.96Å; F81-Y88 HydrophobicContact CE1-CG 4.49Å; F81-Y88 HydrophobicContact CE2-CD1 4.05Å; F81-Y88 AromaticContact CE2-CD2 3.37Å; F81-Y88 HydrophobicContact CE2-CD2 3.37Å; F81-Y88 HydrophobicContact CE2-CE2 4.04Å; F81-Y88 AromaticContact CE2-CG 3.39Å; F81-Y88 HydrophobicContact CE2-CG 3.39Å; F81-Y88 HydrophobicContact CZ-CD1 4.14Å; F81-Y88 HydrophobicContact CZ-CD2 4.17Å; F81-Y88 AromaticContact CZ-CG 3.7Å; F81-Y88 HydrophobicContact CZ-CG 3.7Å; F81-Y88 PolarHBondContact N-O 2.84Å; F81-Y88 PolarHBondContact O-N 3.29Å; F81-V90 HydrophobicContact CD1-CG2 4.2Å; F81-V90 HydrophobicContact CE1-CG2 3.57Å
82E90.3Very high92.4Very high52 Ų5239.2 Ų39.224%0.24320%0.195CC..EExtended strand (participates in β ladder)trans-142.7150.7-178.863.8176.8178.800111.8G3 F4 K47 Y86 V87G3-E82 WeakPolarHBondContact CA-OE1 3.16Å; F4-E82 HydrophobicContact CB-CG 4.28Å; F4-E82 PolarHBondContact N-OE1 3.28Å; K47-E82 WeakPolarHBondContact CE-OE2 3.33Å; K47-E82 IonicContact NZ-OE1 3.04Å; K47-E82 IonicContact NZ-OE2 2.81Å; K47-E82 PolarHBondContact NZ-OE2 3.38Å; E82-Y86 VanDerWaalsContact CA-O 3.31Å; E82-Y86 WeakPolarHBondContact CA-O 3.47Å; E82-Y86 WeakPolarHBondContact CB-O 3.45Å; E82-V87 HydrophobicContact CB-CG2 4.29Å
83D88.9Confident92.4Very high55 Ų5535.3 Ų35.329%0.29417%0.169SC..  trans-115.3-168.5167.26925.5000109.8K47 N85 Y86 Y88K47-D83 VanDerWaalsContact CE-O 3.23Å; K47-D83 WeakPolarHBondContact CE-O 3.31Å; K47-D83 PolarHBondContact NZ-O 3.28Å; D83-N85 PolarHBondContact O-N 3.36Å; D83-N85 WeakPolarHBondContact OD1-CA 3.5Å; D83-N85 PolarHBondContact OD1-N 3.21Å; D83-Y86 PolarHBondContact N-O 2.76Å; D83-Y86 PolarHBondContact OD1-N 2.53Å; D83-Y88 HydrophobicContact CB-CE2 4.22Å; D83-Y88 WeakPolarHBondContact OD2-CE2 3.19Å; D83-Y88 VanDerWaalsContact OD2-CZ 3.3Å; D83-Y88 PolarHBondContact OD2-OH 2.93Å
84E88.4Confident92.3Very high178 Ų17835.7 Ų35.783%0.83217%0.171SC*.SBendtrans-60.4-28.7-179.9-65.7179.8176.700113.7
85N88.8Confident92.2Very high68 Ų6840.1 Ų40.136%0.36419%0.192SC..SBendtrans-113.1-27.7-168.9-64.3-61.3000113.6K47 D83K47-N85 VanDerWaalsContact CB-O 3.32Å; K47-N85 WeakPolarHBondContact CB-O 3.48Å; K47-N85 PolarHBondContact N-O 3.09Å; D83-N85 PolarHBondContact O-N 3.36Å; D83-N85 WeakPolarHBondContact OD1-CA 3.5Å; D83-N85 PolarHBondContact OD1-N 3.21Å
86Y90.8Very high92Very high86 Ų8643 Ų4334%0.33721%0.207SC..EExtended strand (participates in β ladder)trans-134.9150.6-169.2-61-80.1000113.2M44 I45 D46 K47 E82 D83M44-Y86 HydrophobicContact CE-CD1 4.42Å; M44-Y86 HydrophobicContact CE-CD2 4.42Å; M44-Y86 HydrophobicContact CE-CG 4.32Å; I45-Y86 CarbonylContact O-C 3.55Å; I45-Y86 VanDerWaalsContact O-CA 3.25Å; I45-Y86 WeakPolarHBondContact O-CA 3.48Å; D46-Y86 HydrophobicContact CB-CD1 4.33Å; D46-Y86 HydrophobicContact CB-CE1 4.1Å; K47-Y86 WeakPolarHBondContact CE-O 3.41Å; E82-Y86 VanDerWaalsContact CA-O 3.31Å; E82-Y86 WeakPolarHBondContact CA-O 3.47Å; E82-Y86 WeakPolarHBondContact CB-O 3.45Å; D83-Y86 PolarHBondContact N-O 2.76Å; D83-Y86 PolarHBondContact OD1-N 2.53Å
87V90Very high91.9Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-102.4131.3161.4-179.30000107.9I45 K47 M50 V59 E82I45-V87 HydrophobicContact CB-CB 4.33Å; I45-V87 PolarHBondContact N-O 2.96Å; I45-V87 PolarHBondContact O-N 3.11Å; K47-V87 HydrophobicContact CG-CG2 4Å; M50-V87 HydrophobicContact CE-CG2 4.49Å; V59-V87 HydrophobicContact CG1-CG1 4.4Å; E82-V87 HydrophobicContact CB-CG2 4.29Å
88Y92.5Very high91.9Very high3 Ų344.3 Ų44.31%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-113122.2-177.5-60.2-96.8000109.9K11 I42 M44 C80 F81 D83K11-Y88 HydrophobicContact CD-CE1 4.27Å; K11-Y88 HydrophobicContact CG-CE1 4.28Å; I42-Y88 HydrophobicContact CG2-CD1 3.86Å; M44-Y88 HydrophobicContact CE-CE1 3.59Å; M44-Y88 HydrophobicContact CG-CD1 3.69Å; M44-Y88 HydrophobicContact CG-CE1 3.72Å; M44-Y88 HydrophobicContact SD-CD1 4.43Å; M44-Y88 HydrophobicContact SD-CE1 3.93Å; C80-Y88 VanDerWaalsContact CA-O 3.29Å; C80-Y88 WeakPolarHBondContact CA-O 3.46Å; F81-Y88 AromaticContact CD2-CD2 3.64Å; F81-Y88 HydrophobicContact CD2-CD2 3.64Å; F81-Y88 HydrophobicContact CD2-CE2 4.45Å; F81-Y88 AromaticContact CD2-CG 3.96Å; F81-Y88 HydrophobicContact CD2-CG 3.96Å; F81-Y88 HydrophobicContact CE1-CG 4.49Å; F81-Y88 HydrophobicContact CE2-CD1 4.05Å; F81-Y88 AromaticContact CE2-CD2 3.37Å; F81-Y88 HydrophobicContact CE2-CD2 3.37Å; F81-Y88 HydrophobicContact CE2-CE2 4.04Å; F81-Y88 AromaticContact CE2-CG 3.39Å; F81-Y88 HydrophobicContact CE2-CG 3.39Å; F81-Y88 HydrophobicContact CZ-CD1 4.14Å; F81-Y88 HydrophobicContact CZ-CD2 4.17Å; F81-Y88 AromaticContact CZ-CG 3.7Å; F81-Y88 HydrophobicContact CZ-CG 3.7Å; F81-Y88 PolarHBondContact N-O 2.84Å; F81-Y88 PolarHBondContact O-N 3.29Å; D83-Y88 HydrophobicContact CB-CE2 4.22Å; D83-Y88 WeakPolarHBondContact OD2-CE2 3.19Å; D83-Y88 VanDerWaalsContact OD2-CZ 3.3Å; D83-Y88 PolarHBondContact OD2-OH 2.93Å
89L92.3Very high92.1Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-106.4117.6170.4-55.5176.2000109I42 K43 I45 V63 L77 C80 L91I42-L89 WeakPolarHBondContact CA-O 3.18Å; K43-L89 HydrophobicContact CB-CB 4.22Å; K43-L89 HydrophobicContact CD-CD1 4.21Å; K43-L89 PolarHBondContact N-O 3.04Å; K43-L89 PolarHBondContact O-N 2.99Å; I45-L89 HydrophobicContact CD1-CD1 4.04Å; I45-L89 HydrophobicContact CD1-CG 4.49Å; V63-L89 HydrophobicContact CG2-CD2 3.57Å; L77-L89 HydrophobicContact CD1-CB 3.87Å; L77-L89 HydrophobicContact CD1-CD2 4.14Å; C80-L89 HydrophobicContact CB-CD2 3.74Å; C80-L89 VanDerWaalsContact SG-CD2 3.52Å; L89-L91 HydrophobicContact CB-CG 4.4Å
90V93.7Very high92.2Very high3 Ų341.7 Ų41.72%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-93.1111.3177.7-173.30000108.6F14 V40 Y78 T79 F81F14-V90 HydrophobicContact CE1-CG1 3.85Å; F14-V90 HydrophobicContact CE1-CG2 4.31Å; F14-V90 HydrophobicContact CE2-CG2 4.17Å; F14-V90 HydrophobicContact CZ-CG1 4.04Å; F14-V90 HydrophobicContact CZ-CG2 3.8Å; V40-V90 HydrophobicContact CB-CG1 3.91Å; V40-V90 HydrophobicContact CG1-CG1 4.03Å; V40-V90 HydrophobicContact CG2-CG1 3.93Å; Y78-V90 HydrophobicContact CD2-CG1 4.29Å; Y78-V90 PolarHBondContact N-O 3.02Å; T79-V90 HydrophobicContact CG2-CB 3.7Å; T79-V90 HydrophobicContact CG2-CG1 4.42Å; T79-V90 HydrophobicContact CG2-CG2 3.58Å; T79-V90 PolarHBondContact N-O 3.43Å; T79-V90 PolarHBondContact O-N 3.04Å; F81-V90 HydrophobicContact CD1-CG2 4.2Å; F81-V90 HydrophobicContact CE1-CG2 3.57Å
91L94.9Very high92.2Very high12 Ų1243.4 Ų43.46%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-115.4157.4-169.9-60164.9000110.8V40 A41 K43 L75 E76 L77 L89V40-L91 WeakPolarHBondContact CA-O 3.37Å; V40-L91 WeakPolarHBondContact CB-O 3.4Å; A41-L91 HydrophobicContact CB-CB 4.31Å; A41-L91 PolarHBondContact N-O 3.13Å; A41-L91 WeakPolarHBondContact O-CB 3.21Å; A41-L91 PolarHBondContact O-N 3.21Å; K43-L91 HydrophobicContact CB-CD1 4Å; L75-L91 HydrophobicContact CD2-CB 4.28Å; L75-L91 HydrophobicContact CD2-CD1 4.23Å; L75-L91 HydrophobicContact CD2-CD2 4.2Å; L75-L91 HydrophobicContact CD2-CG 4.48Å; E76-L91 WeakPolarHBondContact O-CA 3.2Å; L77-L91 HydrophobicContact CB-CD2 4.14Å; L77-L91 HydrophobicContact CD1-CD2 3.67Å; L77-L91 HydrophobicContact CD1-CG 4.45Å; L89-L91 HydrophobicContact CB-CG 4.4Å
92E95.1Very high92.2Very high37 Ų3746.2 Ų46.217%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-57.2141.5164.9179.7-178.6-169.100111.7L75 E76 Y78 K152L75-E92 HydrophobicContact CD1-CB 4.02Å; L75-E92 WeakPolarHBondContact CD1-O 3.17Å; E76-E92 HydrophobicContact CB-CB 4.21Å; E76-E92 PolarHBondContact N-OE2 2.87Å; E76-E92 PolarHBondContact O-N 3.12Å; Y78-E92 HydrophobicContact CE2-CB 4.23Å; E92-K152 WeakPolarHBondContact OE1-CE 3.2Å; E92-K152 IonicContact OE1-NZ 3.43Å; E92-K152 PolarHBondContact OE1-NZ 3.43Å; E92-K152 VanDerWaalsContact OE2-CD 3.31Å; E92-K152 WeakPolarHBondContact OE2-CD 3.2Å; E92-K152 WeakPolarHBondContact OE2-CE 3.45Å; E92-K152 IonicContact OE2-NZ 2.91Å; E92-K152 PolarHBondContact OE2-NZ 3.12Å
93I95Very high92.3Very high20 Ų2044.3 Ų44.310%0.10322%0.222CC..  trans-88.2120.6-179.8-173.366.9000112.2L20 R30 E39 A41 H95L20-I93 HydrophobicContact CD1-CD1 3.46Å; L20-I93 VanDerWaalsContact CD1-CD1 3.46Å; R30-I93 HydrophobicContact CG-CD1 4.32Å; E39-I93 HydrophobicContact CB-CG2 4.09Å; E39-I93 WeakPolarHBondContact O-CG2 3.35Å; A41-I93 HydrophobicContact CB-CD1 3.92Å; I93-H95 PolarHBondContact O-ND1 3.1Å
94C95.4Very high92.3Very high15 Ų1548.5 Ų48.510%0.10123%0.233CC..  trans-101.8100.4172.6-75.10000110.6N96 G97 L144 L145C94-N96 VanDerWaalsContact C-N 3.28Å; C94-N96 PolarHBondContact O-N 3.46Å; C94-G97 PolarHBondContact O-N 3.24Å; C94-L144 HydrophobicContact CB-CB 3.55Å; C94-L144 HydrophobicContact CB-CD1 4.09Å; C94-L144 HydrophobicContact CB-CG 4.39Å; C94-L144 VanDerWaalsContact SG-CB 3.56Å; C94-L145 CarbonylContact C-O 3.59Å; C94-L145 VanDerWaalsContact C-O 3.26Å; C94-L145 WeakPolarHBondContact CA-O 3.33Å; C94-L145 WeakPolarHBondContact CB-O 3.36Å
95H93.2Very high92.4Very high95 Ų9546.9 Ų46.944%0.4423%0.226SC..THydrogen-bonded Turntrans-65.9-27.4-167.6-64.267.3000114.4I93 G97 L145 K147I93-H95 PolarHBondContact O-ND1 3.1Å; H95-G97 VanDerWaalsContact C-N 3.34Å; H95-L145 PolarHBondContact N-O 3.18Å; H95-K147 HydrophobicContact CB-CB 4.15Å
96N93.8Very high92.5Very high69 Ų6948.5 Ų48.537%0.36924%0.235SC..THydrogen-bonded Turntrans-96.911.7-177-68.6-40.2000112.2C94 L145 T146 K147 M149C94-N96 VanDerWaalsContact C-N 3.28Å; C94-N96 PolarHBondContact O-N 3.46Å; N96-L145 HydrophobicContact CB-CB 3.58Å; N96-L145 PolarHBondContact N-O 3.05Å; N96-T146 PolarHBondContact ND2-O 3.13Å; N96-K147 PolarHBondContact ND2-O 2.94Å; N96-M149 HydrophobicContact CB-SD 4.25Å; N96-M149 PolarHBondContact ND2-SD 3.33Å
97G92.5Very high92.5Very high31 Ų3145.7 Ų45.732%0.3223%0.232SC..  trans63.7-150.717300000113.5C94 H95 L144 L145C94-G97 PolarHBondContact O-N 3.24Å; H95-G97 VanDerWaalsContact C-N 3.34Å; G97-L144 CarbonylContact O-C 3.55Å; G97-L144 VanDerWaalsContact O-CA 3.31Å; G97-L144 WeakPolarHBondContact O-CA 3.47Å; G97-L145 PolarHBondContact O-N 3.01Å
98E93.7Very high92.7Very high71 Ų7149.2 Ų49.233%0.33226%0.255SS..BIsolated β-bridgetrans-78.1136.6-177.8-58.9164.8-170.400112Q100 T101 Y102 L143 L144E98-Q100 PolarHBondContact O-N 2.96Å; E98-T101 WeakPolarHBondContact O-CB 3.44Å; E98-T101 PolarHBondContact O-N 2.82Å; E98-T101 PolarHBondContact OE2-OG1 3.08Å; E98-Y102 PolarHBondContact O-N 2.94Å; E98-L143 CarbonylContact C-O 3.52Å; E98-L143 WeakPolarHBondContact CA-O 3.43Å; E98-L144 HydrophobicContact CB-CD2 4.44Å; E98-L144 HydrophobicContact CG-CD2 3.86Å
99L94Very high92.8Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-60.4-34.1174.6-177.957000111.4T101 Y102 I103 Y117 L140 L143 L145 V151 L204L99-T101 VanDerWaalsContact C-N 3.32Å; L99-T101 PolarHBondContact O-N 2.6Å; L99-Y102 HydrophobicContact CD1-CD1 4.18Å; L99-Y102 WeakPolarHBondContact O-CB 3.24Å; L99-Y102 PolarHBondContact O-N 3.31Å; L99-I103 HydrophobicContact CD1-CD1 4.47Å; L99-I103 HydrophobicContact CD1-CG1 4.23Å; L99-I103 HydrophobicContact CG-CG1 4.44Å; L99-I103 VanDerWaalsContact O-CG1 3.31Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.46Å; L99-Y117 HydrophobicContact CD1-CD2 4.25Å; L99-Y117 HydrophobicContact CD1-CE2 3.73Å; L99-Y117 HydrophobicContact CD2-CD2 4.31Å; L99-L140 HydrophobicContact CD2-CD2 4.11Å; L99-L140 HydrophobicContact CG-CD2 4.43Å; L99-L143 HydrophobicContact CB-CB 3.95Å; L99-L143 WeakPolarHBondContact CB-O 3.45Å; L99-L143 HydrophobicContact CD2-CB 4.17Å; L99-L143 HydrophobicContact CD2-CD1 3.85Å; L99-L143 PolarHBondContact N-O 3.02Å; L99-L145 HydrophobicContact CB-CD1 4.49Å; L99-L145 HydrophobicContact CB-CG 4.39Å; L99-L145 HydrophobicContact CD1-CD1 3.84Å; L99-L145 HydrophobicContact CD1-CD2 4.29Å; L99-L145 HydrophobicContact CD1-CG 4.28Å; L99-V151 HydrophobicContact CD2-CG2 4.47Å; L99-L204 HydrophobicContact CD1-CD2 4.32Å; L99-L204 HydrophobicContact CD2-CD2 3.96Å; L99-L204 HydrophobicContact CG-CD2 4.18Å
100Q92.5Very high92.9Very high59 Ų5954 Ų5428%0.27628%0.284SS..Hα-helixtrans-59.4-42.7173-171.6-177.276.700112.2E98 R104 L140 A141E98-Q100 PolarHBondContact O-N 2.96Å; Q100-R104 VanDerWaalsContact O-CB 3.31Å; Q100-R104 WeakPolarHBondContact O-CB 3.47Å; Q100-R104 PolarHBondContact O-N 2.72Å; Q100-L140 HydrophobicContact CB-CB 3.78Å; Q100-L140 HydrophobicContact CG-CB 4.36Å; Q100-L140 PolarHBondContact N-O 3.34Å; Q100-A141 HydrophobicContact CB-CB 4.32Å
101T90.3Very high93Very high49 Ų4955.9 Ų55.930%0.30129%0.293SS..Hα-helixtrans-67.6-41.2177.9-67.90000110.3E98 L99 I103 R104 Q105E98-T101 WeakPolarHBondContact O-CB 3.44Å; E98-T101 PolarHBondContact O-N 2.82Å; E98-T101 PolarHBondContact OE2-OG1 3.08Å; L99-T101 VanDerWaalsContact C-N 3.32Å; L99-T101 PolarHBondContact O-N 2.6Å; T101-I103 PolarHBondContact O-N 3.39Å; T101-R104 PolarHBondContact O-N 3.01Å; T101-Q105 HydrophobicContact CG2-CG 4.47Å; T101-Q105 WeakPolarHBondContact O-CB 3.13Å; T101-Q105 VanDerWaalsContact O-CG 3.3Å; T101-Q105 WeakPolarHBondContact O-CG 3.48Å; T101-Q105 PolarHBondContact O-N 3.01Å
102Y91.3Very high93Very high67 Ų6758.3 Ų58.326%0.26331%0.306SS..Hα-helixtrans-57.8-48.8174-179.1-90.8000112.7E98 L99 Q105 N106 V109 L145 M149E98-Y102 PolarHBondContact O-N 2.94Å; L99-Y102 HydrophobicContact CD1-CD1 4.18Å; L99-Y102 WeakPolarHBondContact O-CB 3.24Å; L99-Y102 PolarHBondContact O-N 3.31Å; Y102-Q105 PolarHBondContact O-N 3.02Å; Y102-N106 WeakPolarHBondContact CD2-ND2 3.04Å; Y102-N106 HydrophobicContact CE1-CB 4.46Å; Y102-N106 WeakPolarHBondContact CE2-ND2 3.41Å; Y102-N106 WeakPolarHBondContact O-CB 3.36Å; Y102-N106 PolarHBondContact O-N 2.93Å; Y102-N106 PolarHBondContact O-ND2 3.23Å; Y102-V109 HydrophobicContact CE1-CG1 4.22Å; Y102-L145 HydrophobicContact CD1-CD1 4.4Å; Y102-L145 HydrophobicContact CD2-CD1 4.14Å; Y102-L145 HydrophobicContact CG-CD1 3.88Å; Y102-M149 HydrophobicContact CD2-CE 4Å; Y102-M149 HydrophobicContact CE1-CE 4.23Å; Y102-M149 HydrophobicContact CE2-CE 3.47Å; Y102-M149 VanDerWaalsContact CE2-CE 3.47Å
103I91.4Very high93Very high12 Ų1258.9 Ų58.96%0.06231%0.312CS..Hα-helixtrans-65.5-39178-63.6-63.3000111.5L99 T101 Q105 G107 V109 L204L99-I103 HydrophobicContact CD1-CD1 4.47Å; L99-I103 HydrophobicContact CD1-CG1 4.23Å; L99-I103 HydrophobicContact CG-CG1 4.44Å; L99-I103 VanDerWaalsContact O-CG1 3.31Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.46Å; T101-I103 PolarHBondContact O-N 3.39Å; I103-Q105 VanDerWaalsContact C-N 3.26Å; I103-Q105 PolarHBondContact O-N 3.21Å; I103-G107 CarbonylContact O-C 3.58Å; I103-G107 WeakPolarHBondContact O-CA 3.4Å; I103-G107 PolarHBondContact O-N 3.49Å; I103-V109 HydrophobicContact CD1-CB 4.41Å; I103-V109 HydrophobicContact CD1-CG1 3.5Å; I103-V109 VanDerWaalsContact CD1-CG1 3.5Å; I103-V109 HydrophobicContact CD1-CG2 4.29Å; I103-L204 HydrophobicContact CD1-CD2 3.72Å; I103-L204 HydrophobicContact CG1-CD2 3.89Å
104R89.3Confident93Very high143 Ų14357.9 Ų57.954%0.5431%0.307SS..Hα-helixtrans-63-34.8177.3-168.4-174.7-50.5-163.82.9112.5Q100 T101 S391Q100-R104 VanDerWaalsContact O-CB 3.31Å; Q100-R104 WeakPolarHBondContact O-CB 3.47Å; Q100-R104 PolarHBondContact O-N 2.72Å; T101-R104 PolarHBondContact O-N 3.01Å; R104-S391 PolarHBondContact NH1-OG 3.31Å
105Q90.1Very high93Very high144 Ų14457.8 Ų57.867%0.67331%0.305SS*.Hα-helixtrans-83-38.4-179.2-70.8173.5-1.300112.7T101 Y102 I103T101-Q105 HydrophobicContact CG2-CG 4.47Å; T101-Q105 WeakPolarHBondContact O-CB 3.13Å; T101-Q105 VanDerWaalsContact O-CG 3.3Å; T101-Q105 WeakPolarHBondContact O-CG 3.48Å; T101-Q105 PolarHBondContact O-N 3.01Å; Y102-Q105 PolarHBondContact O-N 3.02Å; I103-Q105 VanDerWaalsContact C-N 3.26Å; I103-Q105 PolarHBondContact O-N 3.21Å
106N91.7Very high93.1Very high102 Ų10258 Ų5855%0.54531%0.306SS..Hα-helixtrans-104.9-10.1-171.9-61.3-75.6000114.2Y102Y102-N106 WeakPolarHBondContact CD2-ND2 3.04Å; Y102-N106 HydrophobicContact CE1-CB 4.46Å; Y102-N106 WeakPolarHBondContact CE2-ND2 3.41Å; Y102-N106 WeakPolarHBondContact O-CB 3.36Å; Y102-N106 PolarHBondContact O-N 2.93Å; Y102-N106 PolarHBondContact O-ND2 3.23Å
107G90.9Very high93.2Very high27 Ų2755 Ų5528%0.27829%0.289SS..  trans86.4-175.5-172.900000113.4I103I103-G107 CarbonylContact O-C 3.58Å; I103-G107 WeakPolarHBondContact O-CA 3.4Å; I103-G107 PolarHBondContact O-N 3.49Å
108P92.9Very high93.4Very high74 Ų7453.6 Ų53.648%0.48127%0.274SS..SBendtrans-60.2151173.925.5-32.7000111.4L204 I205P108-L204 CarbonylContact C-O 3.26Å; P108-L204 WeakPolarHBondContact CA-O 3.31Å; P108-L204 WeakPolarHBondContact CB-O 3.46Å; P108-I205 WeakPolarHBondContact CB-O 3.2Å
109V94.3Very high93.5Very high19 Ų1957 Ų5712%0.11529%0.288CS..PPolyproline II helixtrans-94.2157.2178.6-68.50000111.5Y102 I103 T113 A114 Y117 L204Y102-V109 HydrophobicContact CE1-CG1 4.22Å; I103-V109 HydrophobicContact CD1-CB 4.41Å; I103-V109 HydrophobicContact CD1-CG1 3.5Å; I103-V109 VanDerWaalsContact CD1-CG1 3.5Å; I103-V109 HydrophobicContact CD1-CG2 4.29Å; V109-T113 HydrophobicContact CB-CG2 3.96Å; V109-T113 HydrophobicContact CG1-CG2 4.04Å; V109-T113 HydrophobicContact CG2-CG2 4.43Å; V109-A114 HydrophobicContact CG2-CB 4.07Å; V109-Y117 HydrophobicContact CG1-CE2 4.46Å; V109-L204 HydrophobicContact CG2-CB 3.91Å; V109-L204 HydrophobicContact CG2-CD2 4.19Å; V109-L204 WeakPolarHBondContact CG2-O 3.42Å; V109-L204 PolarHBondContact N-O 3.03Å
110T95.4Very high93.6Very high85 Ų8558.3 Ų58.352%0.52129%0.294SS..PPolyproline II helixtrans-63.6154.517363.20000111.3D112 T113 A114T110-D112 PolarHBondContact O-N 3.19Å; T110-T113 PolarHBondContact O-N 3.14Å; T110-T113 PolarHBondContact OG1-N 2.82Å; T110-T113 PolarHBondContact OG1-OG1 3.4Å; T110-A114 PolarHBondContact O-N 3.45Å
111E95.5Very high93.7Very high42 Ų4255.7 Ų55.720%0.19628%0.282CS..Hα-helixtrans-55.5-35175.1-70.5-174.7-174.500112.9A114 R115 S235 F264E111-A114 PolarHBondContact O-N 3Å; E111-R115 WeakPolarHBondContact O-CB 3.23Å; E111-R115 PolarHBondContact O-N 3.4Å; E111-S235 WeakPolarHBondContact OE1-CB 3.47Å; E111-S235 PolarHBondContact OE1-N 3.44Å; E111-S235 WeakPolarHBondContact OE2-CB 3.28Å; E111-S235 PolarHBondContact OE2-OG 3.08Å; E111-F264 HydrophobicContact CB-CE2 3.92Å; E111-F264 HydrophobicContact CB-CZ 4.06Å; E111-F264 HydrophobicContact CG-CE2 4.13Å
112D94.8Very high94Very high64 Ų6453.3 Ų53.334%0.34227%0.267SS..Hα-helixtrans-63.4-42.4175.7-73-33.1000112.4T110 R115 H116T110-D112 PolarHBondContact O-N 3.19Å; D112-R115 IonicContact OD1-CZ 2.78Å; D112-R115 IonicContact OD1-NH1 3.86Å; D112-R115 PolarHBondContact OD1-NH1 3.42Å; D112-R115 IonicContact OD1-NH2 2.99Å; D112-H116 PolarHBondContact O-N 3.13Å
113T94.8Very high94.3Very high48 Ų4852.7 Ų52.729%0.29427%0.273SS..Hα-helixtrans-70.4-43.3177-530000110.6V109 T110 R115 H116 Y117V109-T113 HydrophobicContact CB-CG2 3.96Å; V109-T113 HydrophobicContact CG1-CG2 4.04Å; V109-T113 HydrophobicContact CG2-CG2 4.43Å; T110-T113 PolarHBondContact O-N 3.14Å; T110-T113 PolarHBondContact OG1-N 2.82Å; T110-T113 PolarHBondContact OG1-OG1 3.4Å; T113-R115 VanDerWaalsContact C-N 3.32Å; T113-R115 PolarHBondContact O-N 3.47Å; T113-H116 WeakPolarHBondContact O-CB 3.44Å; T113-H116 PolarHBondContact O-N 2.93Å; T113-H116 VanDerWaalsContact O-N 3.12Å; T113-Y117 HydrophobicContact CG2-CD2 4.31Å; T113-Y117 HydrophobicContact CG2-CE2 3.75Å; T113-Y117 PolarHBondContact O-N 3.42Å; T113-Y117 VanDerWaalsContact O-N 3.08Å
114A95.7Very high94.5Very high0 Ų052.1 Ų52.10%027%0.27CS..Hα-helixtrans-58.5-43.9175.500000111.2V109 T110 E111 H116 Y117 L118 F201 L204 I205V109-A114 HydrophobicContact CG2-CB 4.07Å; T110-A114 PolarHBondContact O-N 3.45Å; E111-A114 PolarHBondContact O-N 3Å; A114-H116 VanDerWaalsContact C-N 3.29Å; A114-H116 PolarHBondContact O-N 2.7Å; A114-Y117 PolarHBondContact O-N 2.88Å; A114-L118 HydrophobicContact CB-CD1 4.47Å; A114-L118 WeakPolarHBondContact O-CB 3.35Å; A114-L118 WeakPolarHBondContact O-CD1 3.37Å; A114-L118 PolarHBondContact O-N 3.12Å; A114-F201 HydrophobicContact CB-CD2 4.19Å; A114-F201 HydrophobicContact CB-CE2 3.91Å; A114-L204 HydrophobicContact CB-CB 4.46Å; A114-I205 HydrophobicContact CB-CG2 3.45Å; A114-I205 VanDerWaalsContact CB-CG2 3.45Å
115R95.5Very high94.9Very high13 Ų1345.3 Ų45.35%0.04924%0.244CC..Hα-helixtrans-57.4-41.2174.7-173.4-177.3-55.610213.4112.4E111 D112 T113 L118 K119 F264 M265E111-R115 WeakPolarHBondContact O-CB 3.23Å; E111-R115 PolarHBondContact O-N 3.4Å; D112-R115 IonicContact OD1-CZ 2.78Å; D112-R115 IonicContact OD1-NH1 3.86Å; D112-R115 PolarHBondContact OD1-NH1 3.42Å; D112-R115 IonicContact OD1-NH2 2.99Å; T113-R115 VanDerWaalsContact C-N 3.32Å; T113-R115 PolarHBondContact O-N 3.47Å; R115-L118 PolarHBondContact O-N 3.46Å; R115-K119 WeakPolarHBondContact O-CB 3.43Å; R115-K119 PolarHBondContact O-N 3.24Å; R115-F264 HydrophobicContact CB-CE1 3.96Å; R115-F264 HydrophobicContact CB-CZ 4.3Å; R115-F264 HydrophobicContact CG-CE1 4.32Å; R115-F264 PolarHBondContact NE-O 3.47Å; R115-F264 PolarHBondContact NH2-O 3.19Å; R115-M265 HydrophobicContact CG-CE 4.11Å; R115-M265 HydrophobicContact CG-SD 3.9Å
116H94.6Very high95.1Very high100 Ų10040.7 Ų40.746%0.46322%0.224SC..Hα-helixtrans-62.8-44.2177.3-172.875.5000112D112 T113 A114 Q120D112-H116 PolarHBondContact O-N 3.13Å; T113-H116 WeakPolarHBondContact O-CB 3.44Å; T113-H116 PolarHBondContact O-N 2.93Å; T113-H116 VanDerWaalsContact O-N 3.12Å; A114-H116 VanDerWaalsContact C-N 3.29Å; A114-H116 PolarHBondContact O-N 2.7Å; H116-Q120 PolarHBondContact CD2-NE2 2.81Å; H116-Q120 PolarHBondContact NE2-NE2 3.08Å; H116-Q120 PolarHBondContact O-N 3.21Å
117Y96Very high95.4Very high5 Ų537.9 Ų37.92%0.0221%0.206CC..Hα-helixtrans-66.2-45.9174.8-64.1-25.4000112.2L99 V109 T113 A114 K119 Q120 L121 L145 M149 V151 L204L99-Y117 HydrophobicContact CD1-CD2 4.25Å; L99-Y117 HydrophobicContact CD1-CE2 3.73Å; L99-Y117 HydrophobicContact CD2-CD2 4.31Å; V109-Y117 HydrophobicContact CG1-CE2 4.46Å; T113-Y117 HydrophobicContact CG2-CD2 4.31Å; T113-Y117 HydrophobicContact CG2-CE2 3.75Å; T113-Y117 PolarHBondContact O-N 3.42Å; T113-Y117 VanDerWaalsContact O-N 3.08Å; A114-Y117 PolarHBondContact O-N 2.88Å; Y117-K119 VanDerWaalsContact C-N 3.3Å; Y117-K119 PolarHBondContact O-N 2.9Å; Y117-Q120 PolarHBondContact O-N 3.36Å; Y117-Q120 VanDerWaalsContact O-N 3.15Å; Y117-L121 WeakPolarHBondContact O-CG 3.4Å; Y117-L121 PolarHBondContact O-N 3.35Å; Y117-L145 HydrophobicContact CE1-CD2 4.05Å; Y117-M149 WeakPolarHBondContact CE1-O 3.19Å; Y117-M149 VanDerWaalsContact OH-CE 3.31Å; Y117-M149 WeakPolarHBondContact OH-CE 3.38Å; Y117-V151 HydrophobicContact CD1-CG2 3.32Å; Y117-V151 HydrophobicContact CE1-CG2 3.87Å; Y117-V151 HydrophobicContact CG-CG2 3.78Å; Y117-L204 HydrophobicContact CD2-CD1 4.43Å; Y117-L204 HydrophobicContact CD2-CD2 4.32Å
118L96.3Very high95.5Very high1 Ų136.6 Ų36.61%0.00519%0.193CC..Hα-helixtrans-56.9-43.4177.8-95.678.4000111.5A114 R115 Q120 L121 I122 F201 L204 L241 M265A114-L118 HydrophobicContact CB-CD1 4.47Å; A114-L118 WeakPolarHBondContact O-CB 3.35Å; A114-L118 WeakPolarHBondContact O-CD1 3.37Å; A114-L118 PolarHBondContact O-N 3.12Å; R115-L118 PolarHBondContact O-N 3.46Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.23Å; L118-L121 PolarHBondContact O-N 2.89Å; L118-I122 HydrophobicContact CB-CD1 4.38Å; L118-I122 WeakPolarHBondContact O-CB 3.3Å; L118-I122 WeakPolarHBondContact O-CD1 3.42Å; L118-I122 WeakPolarHBondContact O-CG1 3.13Å; L118-I122 PolarHBondContact O-N 3.08Å; L118-F201 HydrophobicContact CD1-CB 3.98Å; L118-F201 HydrophobicContact CD1-CD2 3.34Å; L118-F201 HydrophobicContact CD1-CE2 4.07Å; L118-F201 HydrophobicContact CD1-CG 3.86Å; L118-F201 HydrophobicContact CD2-CB 4.08Å; L118-F201 HydrophobicContact CD2-CD1 4.06Å; L118-F201 HydrophobicContact CD2-CD2 3.76Å; L118-F201 HydrophobicContact CD2-CE1 4.48Å; L118-F201 HydrophobicContact CD2-CE2 4.19Å; L118-F201 HydrophobicContact CD2-CG 3.68Å; L118-F201 HydrophobicContact CG-CB 4.45Å; L118-F201 HydrophobicContact CG-CD2 4.19Å; L118-F201 HydrophobicContact CG-CG 4.37Å; L118-L204 HydrophobicContact CD1-CD1 4.22Å; L118-L241 HydrophobicContact CD2-CD2 4.1Å; L118-M265 HydrophobicContact CB-CE 4.15Å; L118-M265 HydrophobicContact CB-SD 4.18Å; L118-M265 HydrophobicContact CD2-SD 4.35Å
119K95.6Very high95.6Very high142 Ų14234.1 Ų34.162%0.61717%0.174SC*.Hα-helixtrans-58.1-43.5178.7-173175.2-179.21770112R115 Y117 S123 M265R115-K119 WeakPolarHBondContact O-CB 3.43Å; R115-K119 PolarHBondContact O-N 3.24Å; Y117-K119 VanDerWaalsContact C-N 3.3Å; Y117-K119 PolarHBondContact O-N 2.9Å; K119-S123 PolarHBondContact O-N 3.41Å; K119-M265 HydrophobicContact CB-CE 3.97Å
120Q96.1Very high95.5Very high29 Ų2937.2 Ų37.214%0.13620%0.197CC..Hα-helixtrans-69.6-42.8178.2-66.417958.100111.7S73 H116 Y117 L118 S123 G124 K150S73-Q120 WeakPolarHBondContact CB-O 3.38Å; S73-Q120 PolarHBondContact OG-O 2.95Å; H116-Q120 PolarHBondContact CD2-NE2 2.81Å; H116-Q120 PolarHBondContact NE2-NE2 3.08Å; H116-Q120 PolarHBondContact O-N 3.21Å; Y117-Q120 PolarHBondContact O-N 3.36Å; Y117-Q120 VanDerWaalsContact O-N 3.15Å; L118-Q120 VanDerWaalsContact C-N 3.3Å; L118-Q120 PolarHBondContact O-N 3.23Å; Q120-S123 WeakPolarHBondContact O-CB 3.41Å; Q120-S123 PolarHBondContact O-N 3.48Å; Q120-G124 PolarHBondContact O-N 3.43Å; Q120-K150 VanDerWaalsContact OE1-CA 3.24Å; Q120-K150 VanDerWaalsContact OE1-CB 3.22Å
121L96.3Very high95.3Very high3 Ų337 Ų372%0.01619%0.19CC..Hα-helixtrans-61-48177.4-72.5174.5000112Y117 L118 S123 G124 L125 L143 V151 I153 L197Y117-L121 WeakPolarHBondContact O-CG 3.4Å; Y117-L121 PolarHBondContact O-N 3.35Å; L118-L121 PolarHBondContact O-N 2.89Å; L121-S123 VanDerWaalsContact C-N 3.28Å; L121-S123 PolarHBondContact O-N 3.2Å; L121-G124 PolarHBondContact O-N 3.27Å; L121-G124 VanDerWaalsContact O-N 3.11Å; L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 3.18Å; L121-L143 HydrophobicContact CD1-CD1 3.76Å; L121-L143 HydrophobicContact CD2-CD1 3.68Å; L121-L143 HydrophobicContact CD2-CD2 3.38Å; L121-L143 HydrophobicContact CD2-CG 4.15Å; L121-L143 HydrophobicContact CG-CD1 4.32Å; L121-V151 HydrophobicContact CD2-CG1 3.54Å; L121-V151 HydrophobicContact CG-CG1 4.05Å; L121-I153 HydrophobicContact CD2-CD1 4.37Å; L121-I153 HydrophobicContact CD2-CG1 3.91Å; L121-L197 HydrophobicContact CB-CD1 4.12Å; L121-L197 HydrophobicContact CD1-CD1 4.16Å
122I96.6Very high95.1Very high0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-61-40.2177.9-64.4158.4000110.3L118 G124 L125 L126 L197 I259 I260 M265L118-I122 HydrophobicContact CB-CD1 4.38Å; L118-I122 WeakPolarHBondContact O-CB 3.3Å; L118-I122 WeakPolarHBondContact O-CD1 3.42Å; L118-I122 WeakPolarHBondContact O-CG1 3.13Å; L118-I122 PolarHBondContact O-N 3.08Å; I122-G124 VanDerWaalsContact C-N 3.35Å; I122-G124 PolarHBondContact O-N 3.38Å; I122-L125 PolarHBondContact O-N 2.82Å; I122-L126 HydrophobicContact CG2-CD1 3.89Å; I122-L126 HydrophobicContact CG2-CG 4.2Å; I122-L126 WeakPolarHBondContact O-CB 3.03Å; I122-L126 VanDerWaalsContact O-CG 3.29Å; I122-L126 WeakPolarHBondContact O-CG 3.09Å; I122-L126 PolarHBondContact O-N 3.38Å; I122-L197 HydrophobicContact CG1-CD2 3.94Å; I122-I259 HydrophobicContact CD1-CB 4.03Å; I122-I259 HydrophobicContact CD1-CG2 3.44Å; I122-I259 VanDerWaalsContact CD1-CG2 3.44Å; I122-I259 HydrophobicContact CG1-CG2 4.4Å; I122-I260 HydrophobicContact CG2-CD1 3.85Å; I122-I260 HydrophobicContact CG2-CG1 3.77Å; I122-M265 HydrophobicContact CD1-CE 4.15Å
123S96.4Very high94.8Very high53 Ų5336.4 Ų36.437%0.37119%0.188SC..Hα-helixtrans-59-45.3174.3-167.20000111.9H71 K119 Q120 L121 Y127H71-S123 PolarHBondContact CE1-OG 3.47Å; H71-S123 VanDerWaalsContact CE1-OG 3.3Å; H71-S123 PolarHBondContact NE2-O 3.04Å; H71-S123 PolarHBondContact NE2-OG 2.97Å; H71-S123 VanDerWaalsContact NE2-OG 3.14Å; K119-S123 PolarHBondContact O-N 3.41Å; Q120-S123 WeakPolarHBondContact O-CB 3.41Å; Q120-S123 PolarHBondContact O-N 3.48Å; L121-S123 VanDerWaalsContact C-N 3.28Å; L121-S123 PolarHBondContact O-N 3.2Å; S123-Y127 PolarHBondContact O-N 3.47Å
124G96.6Very high94.6Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-64.7-43.3176.800000112.8Q120 L121 I122 Y127 L128Q120-G124 PolarHBondContact O-N 3.43Å; L121-G124 PolarHBondContact O-N 3.27Å; L121-G124 VanDerWaalsContact O-N 3.11Å; I122-G124 VanDerWaalsContact C-N 3.35Å; I122-G124 PolarHBondContact O-N 3.38Å; G124-Y127 WeakPolarHBondContact O-CB 3.39Å; G124-Y127 PolarHBondContact O-N 3.02Å; G124-L128 PolarHBondContact O-N 3.02Å
125L96.1Very high94.4Very high1 Ų134.1 Ų34.11%0.00517%0.174CC..Hα-helixtrans-67.6-39.8178.8-67.9175.4000112.6L121 I122 Y127 L128 H129 L138 I153 D193 L197 L256L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 3.18Å; I122-L125 PolarHBondContact O-N 2.82Å; L125-Y127 PolarHBondContact O-N 3.17Å; L125-L128 HydrophobicContact CD2-CD1 4.36Å; L125-L128 PolarHBondContact O-N 2.9Å; L125-H129 VanDerWaalsContact O-CB 3.31Å; L125-H129 WeakPolarHBondContact O-CB 3.48Å; L125-H129 PolarHBondContact O-CD2 3.06Å; L125-H129 VanDerWaalsContact O-CG 3.26Å; L125-H129 PolarHBondContact O-N 2.74Å; L125-L138 HydrophobicContact CD1-CD1 4.17Å; L125-L138 HydrophobicContact CD2-CD1 3.44Å; L125-L138 VanDerWaalsContact CD2-CD1 3.44Å; L125-L138 HydrophobicContact CD2-CD2 4.2Å; L125-L138 HydrophobicContact CD2-CG 4.43Å; L125-L138 HydrophobicContact CG-CD1 4.43Å; L125-I153 HydrophobicContact CD2-CD1 4.11Å; L125-I153 HydrophobicContact CG-CD1 4.21Å; L125-D193 HydrophobicContact CD2-CB 4.4Å; L125-L197 HydrophobicContact CD1-CB 4.34Å; L125-L197 HydrophobicContact CD1-CD1 4.32Å; L125-L197 HydrophobicContact CD1-CD2 4.17Å; L125-L256 HydrophobicContact CB-CD1 3.61Å; L125-L256 HydrophobicContact CB-CD2 4.33Å; L125-L256 HydrophobicContact CD1-CD2 4.16Å
126L95.8Very high93.9Very high47 Ų4734.5 Ų34.525%0.24618%0.176CC..Hα-helixtrans-58.8-39.3173-77.8170.4000111.5I122 S130 L256 K257 I260I122-L126 HydrophobicContact CG2-CD1 3.89Å; I122-L126 HydrophobicContact CG2-CG 4.2Å; I122-L126 WeakPolarHBondContact O-CB 3.03Å; I122-L126 VanDerWaalsContact O-CG 3.29Å; I122-L126 WeakPolarHBondContact O-CG 3.09Å; I122-L126 PolarHBondContact O-N 3.38Å; L126-S130 WeakPolarHBondContact O-CB 3.35Å; L126-S130 PolarHBondContact O-N 2.9Å; L126-S130 PolarHBondContact O-OG 2.84Å; L126-L256 HydrophobicContact CD2-CB 3.77Å; L126-L256 HydrophobicContact CD2-CD1 4.38Å; L126-L256 HydrophobicContact CG-CB 4.25Å; L126-K257 HydrophobicContact CD2-CG 3.67Å; L126-I260 HydrophobicContact CD1-CD1 3.91Å
127Y96.5Very high93.5Very high43 Ų4331 Ų3117%0.16916%0.16CC..Hα-helixtrans-66.1-44.6174.6175-89.7000112.3L69 K70 H71 I74 S123 G124 L125 S130 H131L69-Y127 HydrophobicContact CB-CE1 4.22Å; L69-Y127 HydrophobicContact CD2-CE1 3.85Å; K70-Y127 PolarHBondContact N-OH 2.88Å; H71-Y127 HydrophobicContact CB-CD1 3.88Å; H71-Y127 HydrophobicContact CB-CD2 4.16Å; H71-Y127 HydrophobicContact CB-CE1 4.06Å; H71-Y127 HydrophobicContact CB-CE2 4.35Å; H71-Y127 HydrophobicContact CB-CG 3.9Å; H71-Y127 AromaticContact CD2-CD2 3.93Å; H71-Y127 AromaticContact CD2-CG 3.87Å; H71-Y127 AromaticContact CG-CG 3.97Å; I74-Y127 HydrophobicContact CD1-CD1 3.33Å; I74-Y127 HydrophobicContact CD1-CE1 3.82Å; I74-Y127 HydrophobicContact CD1-CG 4.32Å; S123-Y127 PolarHBondContact O-N 3.47Å; G124-Y127 WeakPolarHBondContact O-CB 3.39Å; G124-Y127 PolarHBondContact O-N 3.02Å; L125-Y127 PolarHBondContact O-N 3.17Å; Y127-S130 PolarHBondContact O-N 3.29Å; Y127-S130 PolarHBondContact O-OG 3.22Å; Y127-H131 AromaticContact CD2-CE1 3.77Å; Y127-H131 AromaticContact CE2-CE1 3.34Å; Y127-H131 WeakPolarHBondContact CE2-CE1 3.25Å; Y127-H131 AromaticContact CZ-CE1 3.56Å; Y127-H131 PolarHBondContact O-N 3.13Å; Y127-H131 PolarHBondContact O-ND1 2.72Å
128L94.7Very high93.3Very high0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-62-47.8176.2-66.1179.6000111.2L69 I74 G124 L125 S130 H131 N132 I133 H135 F156L69-L128 HydrophobicContact CD1-CD2 3.69Å; L69-L128 HydrophobicContact CD2-CD2 3.98Å; L69-L128 HydrophobicContact CG-CD2 4.46Å; I74-L128 HydrophobicContact CD1-CD2 3.54Å; I74-L128 HydrophobicContact CD1-CG 3.84Å; G124-L128 PolarHBondContact O-N 3.02Å; L125-L128 HydrophobicContact CD2-CD1 4.36Å; L125-L128 PolarHBondContact O-N 2.9Å; L128-S130 VanDerWaalsContact C-N 3.3Å; L128-S130 PolarHBondContact O-N 2.59Å; L128-H131 CarbonylContact O-C 3.48Å; L128-H131 WeakPolarHBondContact O-CA 3.33Å; L128-H131 PolarHBondContact O-N 2.99Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-I133 CarbonylContact C-O 3.46Å; L128-I133 HydrophobicContact CB-CB 4.29Å; L128-I133 HydrophobicContact CB-CG2 4.5Å; L128-I133 HydrophobicContact CD2-CG2 4.27Å; L128-I133 WeakPolarHBondContact O-CB 3.12Å; L128-I133 PolarHBondContact O-N 2.96Å; L128-H135 HydrophobicContact CD1-CB 4.41Å; L128-F156 HydrophobicContact CD1-CE1 3.92Å; L128-F156 HydrophobicContact CD2-CE1 3.77Å; L128-F156 HydrophobicContact CD2-CZ 4.36Å
129H93.6Very high93.1Very high21 Ų2131 Ų3110%0.09716%0.161CC..Hα-helixtrans-66.3-31.6-177.9-69.6-165.8000112L125 H131 N132 I133 L190 D193 L256L125-H129 VanDerWaalsContact O-CB 3.31Å; L125-H129 WeakPolarHBondContact O-CB 3.48Å; L125-H129 PolarHBondContact O-CD2 3.06Å; L125-H129 VanDerWaalsContact O-CG 3.26Å; L125-H129 PolarHBondContact O-N 2.74Å; H129-H131 PolarHBondContact O-N 2.76Å; H129-N132 PolarHBondContact O-N 2.9Å; H129-I133 PolarHBondContact CD2-O 3.35Å; H129-I133 VanDerWaalsContact CD2-O 3.32Å; H129-L190 HydrophobicContact CB-CD1 4.38Å; H129-L190 HydrophobicContact CB-CD2 3.96Å; H129-L190 PolarHBondContact CE1-O 3.34Å; H129-D193 IonicContact CD2-OD2 3.79Å; H129-D193 IonicContact NE2-OD2 2.88Å; H129-D193 PolarHBondContact NE2-OD2 2.69Å; H129-L256 WeakPolarHBondContact ND1-CD1 3.17Å
130S93.5Very high93Very high85 Ų8524.4 Ų24.459%0.59413%0.132SC*.Hα-helixtrans-67.6-20.5172.874.80000113.4L126 Y127 L128 N132L126-S130 WeakPolarHBondContact O-CB 3.35Å; L126-S130 PolarHBondContact O-N 2.9Å; L126-S130 PolarHBondContact O-OG 2.84Å; Y127-S130 PolarHBondContact O-N 3.29Å; Y127-S130 PolarHBondContact O-OG 3.22Å; L128-S130 VanDerWaalsContact C-N 3.3Å; L128-S130 PolarHBondContact O-N 2.59Å; S130-N132 VanDerWaalsContact C-N 3.34Å
131H91Very high92.7Very high80 Ų8024.2 Ų24.237%0.3714%0.135SC..THydrogen-bonded Turntrans-96.311.5172.7-65.481.5000112.2Y127 L128 H129 I133Y127-H131 AromaticContact CD2-CE1 3.77Å; Y127-H131 AromaticContact CE2-CE1 3.34Å; Y127-H131 WeakPolarHBondContact CE2-CE1 3.25Å; Y127-H131 AromaticContact CZ-CE1 3.56Å; Y127-H131 PolarHBondContact O-N 3.13Å; Y127-H131 PolarHBondContact O-ND1 2.72Å; L128-H131 CarbonylContact O-C 3.48Å; L128-H131 WeakPolarHBondContact O-CA 3.33Å; L128-H131 PolarHBondContact O-N 2.99Å; H129-H131 PolarHBondContact O-N 2.76Å; H131-I133 HydrophobicContact CB-CD1 3.81Å; H131-I133 HydrophobicContact CB-CG1 4.2Å; H131-I133 PolarHBondContact O-N 2.84Å
132N89.9Confident92.5Very high81 Ų8125 Ų2543%0.43314%0.14SC..THydrogen-bonded Turntrans56.633.8-173.8-62.6-40.1000113.1L128 H129 S130 K161 I162L128-N132 PolarHBondContact O-N 3.42Å; H129-N132 PolarHBondContact O-N 2.9Å; S130-N132 VanDerWaalsContact C-N 3.34Å; N132-K161 HydrophobicContact CB-CG 4.46Å; N132-K161 CarbonylContact O-C 3.52Å; N132-K161 VanDerWaalsContact O-CA 3.27Å; N132-K161 WeakPolarHBondContact O-CA 3.39Å; N132-I162 HydrophobicContact CB-CB 4.32Å; N132-I162 PolarHBondContact O-N 3.36Å
133I90.2Very high92.5Very high13 Ų1325 Ų257%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-102.2125.3178.8-64.3163000109.4I65 L69 L128 H129 H131 A159 T160I65-I133 HydrophobicContact CG2-CD1 3.9Å; I65-I133 HydrophobicContact CG2-CG1 4.45Å; I65-I133 HydrophobicContact CG2-CG2 4.16Å; L69-I133 HydrophobicContact CD2-CD1 3.64Å; L128-I133 CarbonylContact C-O 3.46Å; L128-I133 HydrophobicContact CB-CB 4.29Å; L128-I133 HydrophobicContact CB-CG2 4.5Å; L128-I133 HydrophobicContact CD2-CG2 4.27Å; L128-I133 WeakPolarHBondContact O-CB 3.12Å; L128-I133 PolarHBondContact O-N 2.96Å; H129-I133 PolarHBondContact CD2-O 3.35Å; H129-I133 VanDerWaalsContact CD2-O 3.32Å; H131-I133 HydrophobicContact CB-CD1 3.81Å; H131-I133 HydrophobicContact CB-CG1 4.2Å; H131-I133 PolarHBondContact O-N 2.84Å; I133-A159 HydrophobicContact CG2-CB 4.24Å; I133-T160 CarbonylContact C-O 3.5Å; I133-T160 WeakPolarHBondContact CA-O 3.08Å
134I90.2Very high92.5Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-99.4131.8167.7-50166.1000108R136 A159 T160 I162 L190 D193I134-R136 HydrophobicContact CB-CG 4.05Å; I134-R136 HydrophobicContact CG2-CG 3.54Å; I134-A159 VanDerWaalsContact O-CA 3.27Å; I134-A159 WeakPolarHBondContact O-CA 3.31Å; I134-T160 HydrophobicContact CB-CG2 4.44Å; I134-T160 PolarHBondContact N-O 3.47Å; I134-T160 PolarHBondContact O-N 2.98Å; I134-I162 HydrophobicContact CD1-CD1 3.55Å; I134-I162 HydrophobicContact CD1-CG1 3.5Å; I134-I162 VanDerWaalsContact CD1-CG1 3.5Å; I134-I162 HydrophobicContact CG1-CD1 3.64Å; I134-I162 HydrophobicContact CG1-CG1 3.68Å; I134-L190 HydrophobicContact CG1-CD2 3.97Å; I134-D193 WeakPolarHBondContact CG2-OD2 3.44Å
135H90.4Very high92.5Very high0 Ų024 Ų240%013%0.13CC..  trans-75.9-42.3179.2-170-75.5000112.5L128 D137 L138 A154 D155 F156 L158 D193L128-H135 HydrophobicContact CD1-CB 4.41Å; H135-D137 PolarHBondContact ND1-N 2.96Å; H135-D137 PolarHBondContact O-N 3.04Å; H135-L138 HydrophobicContact CB-CD1 4.26Å; H135-L138 HydrophobicContact CB-CD2 4.03Å; H135-L138 HydrophobicContact CB-CG 3.82Å; H135-L138 PolarHBondContact ND1-N 2.88Å; H135-A154 PolarHBondContact NE2-O 2.77Å; H135-A154 VanDerWaalsContact NE2-O 3.07Å; H135-D155 PolarHBondContact CE1-O 2.81Å; H135-D155 PolarHBondContact NE2-O 2.87Å; H135-F156 AromaticContact CD2-CD1 3.94Å; H135-F156 AromaticContact CD2-CE1 3.76Å; H135-L158 CarbonylContact O-C 3.51Å; H135-D193 PolarHBondContact N-OD1 2.86Å; H135-D193 PolarHBondContact N-OD2 3.26Å
136R85.7Confident92.5Very high21 Ų2124.8 Ų24.88%0.07914%0.135CC..SBendtrans67.6-14.6176.8-56.9-167.9-66-172.3-5.3117.7I134 L158 D193I134-R136 HydrophobicContact CB-CG 4.05Å; I134-R136 HydrophobicContact CG2-CG 3.54Å; R136-L158 PolarHBondContact NE-O 3.28Å; R136-L158 PolarHBondContact NH2-O 2.8Å; R136-D193 PolarHBondContact N-OD1 3.17Å
137D86.5Confident92.4Very high27 Ų2729.4 Ų29.414%0.14415%0.153CC..  trans-130.746.8173.7-164.936000112.3H135 T139 N142 L158 G173 T174H135-D137 PolarHBondContact ND1-N 2.96Å; H135-D137 PolarHBondContact O-N 3.04Å; D137-T139 PolarHBondContact O-N 2.79Å; D137-N142 PolarHBondContact O-ND2 2.82Å; D137-N142 PolarHBondContact OD2-ND2 3.34Å; D137-N142 VanDerWaalsContact OD2-ND2 3.12Å; D137-L158 HydrophobicContact CB-CB 4.3Å; D137-L158 HydrophobicContact CB-CD1 3.69Å; D137-G173 WeakPolarHBondContact OD1-CA 3.4Å; D137-T174 PolarHBondContact OD1-N 3.47Å
138L92.3Very high92.3Very high1 Ų132.9 Ų32.91%0.00518%0.175CC..  trans-71.4116.1174.9-72.1168.7000110.2L125 H135 I153 D193 M200L125-L138 HydrophobicContact CD1-CD1 4.17Å; L125-L138 HydrophobicContact CD2-CD1 3.44Å; L125-L138 VanDerWaalsContact CD2-CD1 3.44Å; L125-L138 HydrophobicContact CD2-CD2 4.2Å; L125-L138 HydrophobicContact CD2-CG 4.43Å; L125-L138 HydrophobicContact CG-CD1 4.43Å; H135-L138 HydrophobicContact CB-CD1 4.26Å; H135-L138 HydrophobicContact CB-CD2 4.03Å; H135-L138 HydrophobicContact CB-CG 3.82Å; H135-L138 PolarHBondContact ND1-N 2.88Å; L138-I153 HydrophobicContact CD2-CG2 3.92Å; L138-D193 HydrophobicContact CD1-CB 3.52Å; L138-M200 HydrophobicContact CB-CE 3.89Å
139T91.6Very high92.2Very high5 Ų535.5 Ų35.53%0.03119%0.187CC..  trans-143.7163.3176.873.70000109.5D137 A141 N142 Y177D137-T139 PolarHBondContact O-N 2.79Å; T139-A141 PolarHBondContact O-N 3.37Å; T139-A141 VanDerWaalsContact O-N 3.16Å; T139-A141 PolarHBondContact OG1-N 3.4Å; T139-N142 PolarHBondContact O-N 2.82Å; T139-N142 PolarHBondContact OG1-N 3.22Å; T139-Y177 HydrophobicContact CG2-CD2 3.63Å; T139-Y177 HydrophobicContact CG2-CE2 4.22Å; T139-Y177 HydrophobicContact CG2-CG 4.1Å
140L92.8Very high92.4Very high2 Ų239.7 Ų39.71%0.0121%0.205CC..G310 helixtrans-62.1-21.6174.5-63.4-175.8000113.4L99 Q100 N142 L143 M200 T203 L204L99-L140 HydrophobicContact CD2-CD2 4.11Å; L99-L140 HydrophobicContact CG-CD2 4.43Å; Q100-L140 HydrophobicContact CB-CB 3.78Å; Q100-L140 HydrophobicContact CG-CB 4.36Å; Q100-L140 PolarHBondContact N-O 3.34Å; L140-N142 VanDerWaalsContact C-N 3.33Å; L140-L143 HydrophobicContact CD2-CD1 4.17Å; L140-M200 HydrophobicContact CD2-CB 3.93Å; L140-M200 HydrophobicContact CD2-CG 3.92Å; L140-M200 HydrophobicContact CD2-SD 4.15Å; L140-M200 HydrophobicContact CG-CG 4.25Å; L140-T203 HydrophobicContact CD1-CG2 3.5Å; L140-L204 HydrophobicContact CD1-CD2 4.48Å; L140-L204 HydrophobicContact CD2-CD2 4.02Å; L140-L204 HydrophobicContact CD2-CG 4.04Å
141A89.8Confident92.5Very high25 Ų2535.7 Ų35.721%0.20718%0.177CC..G310 helixtrans-75.2-27.9176.600000111.5Q100 T139 L143Q100-A141 HydrophobicContact CB-CB 4.32Å; T139-A141 PolarHBondContact O-N 3.37Å; T139-A141 VanDerWaalsContact O-N 3.16Å; T139-A141 PolarHBondContact OG1-N 3.4Å; A141-L143 VanDerWaalsContact C-N 3.26Å; A141-L143 PolarHBondContact O-N 2.81Å
142N93.2Very high92.8Very high19 Ų1932.6 Ų32.610%0.10216%0.163CC..G310 helixtrans-90.813.7177.5-66.1-12.6000112.5D137 T139 L140 A154D137-N142 PolarHBondContact O-ND2 2.82Å; D137-N142 PolarHBondContact OD2-ND2 3.34Å; D137-N142 VanDerWaalsContact OD2-ND2 3.12Å; T139-N142 PolarHBondContact O-N 2.82Å; T139-N142 PolarHBondContact OG1-N 3.22Å; L140-N142 VanDerWaalsContact C-N 3.33Å; N142-A154 PolarHBondContact O-N 2.96Å
143L95.7Very high93.2Very high0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-113.4121.4172.3-62.1-175.6000109.3E98 L99 L121 L140 A141 V151 K152 I153 M200E98-L143 CarbonylContact C-O 3.52Å; E98-L143 WeakPolarHBondContact CA-O 3.43Å; L99-L143 HydrophobicContact CB-CB 3.95Å; L99-L143 WeakPolarHBondContact CB-O 3.45Å; L99-L143 HydrophobicContact CD2-CB 4.17Å; L99-L143 HydrophobicContact CD2-CD1 3.85Å; L99-L143 PolarHBondContact N-O 3.02Å; L121-L143 HydrophobicContact CD1-CD1 3.76Å; L121-L143 HydrophobicContact CD2-CD1 3.68Å; L121-L143 HydrophobicContact CD2-CD2 3.38Å; L121-L143 HydrophobicContact CD2-CG 4.15Å; L121-L143 HydrophobicContact CG-CD1 4.32Å; L140-L143 HydrophobicContact CD2-CD1 4.17Å; A141-L143 VanDerWaalsContact C-N 3.26Å; A141-L143 PolarHBondContact O-N 2.81Å; L143-V151 HydrophobicContact CB-CG1 4.15Å; L143-V151 HydrophobicContact CD1-CG1 4.29Å; L143-V151 HydrophobicContact CD2-CG1 4.18Å; L143-V151 HydrophobicContact CG-CG1 4.43Å; L143-K152 WeakPolarHBondContact CA-O 3.31Å; L143-I153 HydrophobicContact CD2-CB 4.4Å; L143-I153 HydrophobicContact CD2-CG1 3.9Å; L143-M200 HydrophobicContact CD1-CE 4.43Å; L143-M200 HydrophobicContact CD1-SD 3.69Å; L143-M200 HydrophobicContact CG-SD 4.25Å
144L96.4Very high93.3Very high34 Ų3428.5 Ų28.518%0.17814%0.142CC..EExtended strand (participates in β ladder)trans-104.8151.3178.9-59.5-179.7000111.4L75 C94 G97 E98 V151 K152 A154L75-L144 HydrophobicContact CD1-CD1 4.04Å; L75-L144 HydrophobicContact CD2-CD1 3.91Å; C94-L144 HydrophobicContact CB-CB 3.55Å; C94-L144 HydrophobicContact CB-CD1 4.09Å; C94-L144 HydrophobicContact CB-CG 4.39Å; C94-L144 VanDerWaalsContact SG-CB 3.56Å; G97-L144 CarbonylContact O-C 3.55Å; G97-L144 VanDerWaalsContact O-CA 3.31Å; G97-L144 WeakPolarHBondContact O-CA 3.47Å; E98-L144 HydrophobicContact CB-CD2 4.44Å; E98-L144 HydrophobicContact CG-CD2 3.86Å; L144-V151 CarbonylContact O-C 3.48Å; L144-V151 WeakPolarHBondContact O-CA 3.21Å; L144-K152 PolarHBondContact N-O 3.46Å; L144-K152 PolarHBondContact O-N 2.91Å; L144-A154 HydrophobicContact CD1-CB 3.86Å; L144-A154 HydrophobicContact CG-CB 3.95Å
145L96.5Very high93Very high0 Ų031.5 Ų31.50%016%0.158CC..EExtended strand (participates in β ladder)trans-109.8123178.1-69.3171.6000110.9C94 H95 N96 G97 L99 Y102 Y117 M149 K150 V151C94-L145 CarbonylContact C-O 3.59Å; C94-L145 VanDerWaalsContact C-O 3.26Å; C94-L145 WeakPolarHBondContact CA-O 3.33Å; C94-L145 WeakPolarHBondContact CB-O 3.36Å; H95-L145 PolarHBondContact N-O 3.18Å; N96-L145 HydrophobicContact CB-CB 3.58Å; N96-L145 PolarHBondContact N-O 3.05Å; G97-L145 PolarHBondContact O-N 3.01Å; L99-L145 HydrophobicContact CB-CD1 4.49Å; L99-L145 HydrophobicContact CB-CG 4.39Å; L99-L145 HydrophobicContact CD1-CD1 3.84Å; L99-L145 HydrophobicContact CD1-CD2 4.29Å; L99-L145 HydrophobicContact CD1-CG 4.28Å; Y102-L145 HydrophobicContact CD1-CD1 4.4Å; Y102-L145 HydrophobicContact CD2-CD1 4.14Å; Y102-L145 HydrophobicContact CG-CD1 3.88Å; Y117-L145 HydrophobicContact CE1-CD2 4.05Å; L145-M149 HydrophobicContact CD1-CE 3.8Å; L145-M149 HydrophobicContact CD1-SD 4.42Å; L145-K150 WeakPolarHBondContact CA-O 3.3Å; L145-V151 HydrophobicContact CD2-CG2 3.72Å
146T95.4Very high92.7Very high16 Ų1631.5 Ų31.510%0.09816%0.158CC..  trans-68.9170.2169.963.20000111.1N96 D148 M149 K150 K152N96-T146 PolarHBondContact ND2-O 3.13Å; T146-D148 PolarHBondContact O-N 2.63Å; T146-D148 VanDerWaalsContact O-N 3.16Å; T146-M149 PolarHBondContact O-N 2.92Å; T146-K150 HydrophobicContact CG2-CB 4.38Å; T146-K150 PolarHBondContact N-O 3.35Å; T146-K150 WeakPolarHBondContact OG1-CA 3.37Å; T146-K150 VanDerWaalsContact OG1-CB 3.28Å; T146-K150 WeakPolarHBondContact OG1-CB 3.09Å; T146-K150 PolarHBondContact OG1-N 2.88Å; T146-K150 PolarHBondContact OG1-O 3Å; T146-K152 HydrophobicContact CG2-CD 3.62Å; T146-K152 HydrophobicContact CG2-CG 4.17Å
147K94.2Very high92.1Very high145 Ų14530.9 Ų30.963%0.6316%0.158SC*.THydrogen-bonded Turntrans-52-36.2175.5-173.4179.3177.7-178.40113H95 N96 M149H95-K147 HydrophobicContact CB-CB 4.15Å; N96-K147 PolarHBondContact ND2-O 2.94Å; K147-M149 VanDerWaalsContact C-N 3.29Å; K147-M149 PolarHBondContact O-N 3.17Å
148D94.6Very high91.3Very high116 Ų11631 Ų3162%0.6216%0.159SC*.THydrogen-bonded Turntrans-90.919.3-178.9-52.9-36.1000113.2T146 K150T146-D148 PolarHBondContact O-N 2.63Å; T146-D148 VanDerWaalsContact O-N 3.16Å; D148-K150 PolarHBondContact O-N 3.38Å
149M93.8Very high90.5Very high54 Ų5430.9 Ų30.927%0.26616%0.158SC..SBendtrans59.325.6-178.5-59.1-62.3-67.900114.4N96 Y102 Y117 L145 T146 K147N96-M149 HydrophobicContact CB-SD 4.25Å; N96-M149 PolarHBondContact ND2-SD 3.33Å; Y102-M149 HydrophobicContact CD2-CE 4Å; Y102-M149 HydrophobicContact CE1-CE 4.23Å; Y102-M149 HydrophobicContact CE2-CE 3.47Å; Y102-M149 VanDerWaalsContact CE2-CE 3.47Å; Y117-M149 WeakPolarHBondContact CE1-O 3.19Å; Y117-M149 VanDerWaalsContact OH-CE 3.31Å; Y117-M149 WeakPolarHBondContact OH-CE 3.38Å; L145-M149 HydrophobicContact CD1-CE 3.8Å; L145-M149 HydrophobicContact CD1-SD 4.42Å; T146-M149 PolarHBondContact O-N 2.92Å; K147-M149 VanDerWaalsContact C-N 3.29Å; K147-M149 PolarHBondContact O-N 3.17Å
150K96.1Very high90Very high109 Ų10931.2 Ų31.247%0.47416%0.16SC..  trans-82.7142.1168.8-59.9176.1-178.2166.40110.8Q120 L145 T146 D148Q120-K150 VanDerWaalsContact OE1-CA 3.24Å; Q120-K150 VanDerWaalsContact OE1-CB 3.22Å; L145-K150 WeakPolarHBondContact CA-O 3.3Å; T146-K150 HydrophobicContact CG2-CB 4.38Å; T146-K150 PolarHBondContact N-O 3.35Å; T146-K150 WeakPolarHBondContact OG1-CA 3.37Å; T146-K150 VanDerWaalsContact OG1-CB 3.28Å; T146-K150 WeakPolarHBondContact OG1-CB 3.09Å; T146-K150 PolarHBondContact OG1-N 2.88Å; T146-K150 PolarHBondContact OG1-O 3Å; D148-K150 PolarHBondContact O-N 3.38Å
151V96.5Very high89.3Confident1 Ų135.9 Ų35.91%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-90.7136-176.4176.20000110.5S73 L99 Y117 L121 L143 L144 L145S73-V151 WeakPolarHBondContact CA-O 3.37Å; L99-V151 HydrophobicContact CD2-CG2 4.47Å; Y117-V151 HydrophobicContact CD1-CG2 3.32Å; Y117-V151 HydrophobicContact CE1-CG2 3.87Å; Y117-V151 HydrophobicContact CG-CG2 3.78Å; L121-V151 HydrophobicContact CD2-CG1 3.54Å; L121-V151 HydrophobicContact CG-CG1 4.05Å; L143-V151 HydrophobicContact CB-CG1 4.15Å; L143-V151 HydrophobicContact CD1-CG1 4.29Å; L143-V151 HydrophobicContact CD2-CG1 4.18Å; L143-V151 HydrophobicContact CG-CG1 4.43Å; L144-V151 CarbonylContact O-C 3.48Å; L144-V151 WeakPolarHBondContact O-CA 3.21Å; L145-V151 HydrophobicContact CD2-CG2 3.72Å
152K97.3Very high88.5Confident16 Ų1637.1 Ų37.17%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-126.1127.2173.4-73.3178.9175.3-920110.9P72 S73 I74 L75 E92 L143 L144 T146P72-K152 WeakPolarHBondContact O-CE 3.4Å; P72-K152 PolarHBondContact O-NZ 2.89Å; S73-K152 WeakPolarHBondContact O-CA 3.36Å; I74-K152 PolarHBondContact O-NZ 2.81Å; L75-K152 HydrophobicContact CB-CB 4.46Å; L75-K152 HydrophobicContact CD1-CD 4.29Å; E92-K152 WeakPolarHBondContact OE1-CE 3.2Å; E92-K152 IonicContact OE1-NZ 3.43Å; E92-K152 PolarHBondContact OE1-NZ 3.43Å; E92-K152 VanDerWaalsContact OE2-CD 3.31Å; E92-K152 WeakPolarHBondContact OE2-CD 3.2Å; E92-K152 WeakPolarHBondContact OE2-CE 3.45Å; E92-K152 IonicContact OE2-NZ 2.91Å; E92-K152 PolarHBondContact OE2-NZ 3.12Å; L143-K152 WeakPolarHBondContact CA-O 3.31Å; L144-K152 PolarHBondContact N-O 3.46Å; L144-K152 PolarHBondContact O-N 2.91Å; T146-K152 HydrophobicContact CG2-CD 3.62Å; T146-K152 HydrophobicContact CG2-CG 4.17Å
153I97.1Very high87.3Confident0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-72.5128.6172.9-58.3169.1000108.3S73 I74 L75 L121 L125 L138 L143 F156S73-I153 PolarHBondContact O-N 2.84Å; I74-I153 HydrophobicContact CG1-CB 4.45Å; L75-I153 WeakPolarHBondContact CB-O 3.4Å; L75-I153 PolarHBondContact N-O 2.92Å; L121-I153 HydrophobicContact CD2-CD1 4.37Å; L121-I153 HydrophobicContact CD2-CG1 3.91Å; L125-I153 HydrophobicContact CD2-CD1 4.11Å; L125-I153 HydrophobicContact CG-CD1 4.21Å; L138-I153 HydrophobicContact CD2-CG2 3.92Å; L143-I153 HydrophobicContact CD2-CB 4.4Å; L143-I153 HydrophobicContact CD2-CG1 3.9Å; I153-F156 HydrophobicContact CG2-CZ 4.29Å
154A92.8Very high85.2Confident8 Ų847.7 Ų47.77%0.06624%0.244CC..  trans-128.7170-177.800000111.3L75 H135 N142 L144L75-A154 HydrophobicContact CB-CB 4.26Å; L75-A154 HydrophobicContact CD2-CB 3.93Å; H135-A154 PolarHBondContact NE2-O 2.77Å; H135-A154 VanDerWaalsContact NE2-O 3.07Å; N142-A154 PolarHBondContact O-N 2.96Å; L144-A154 HydrophobicContact CD1-CB 3.86Å; L144-A154 HydrophobicContact CG-CB 3.95Å
155D85.3Confident82.7Confident63 Ų6350 Ų5034%0.33728%0.276SS..  trans63.480.5177.7-157.7-9.9000116.1H135 G157H135-D155 PolarHBondContact CE1-O 2.81Å; H135-D155 PolarHBondContact NE2-O 2.87Å; D155-G157 VanDerWaalsContact C-N 3.26Å; D155-G157 PolarHBondContact O-N 3.45Å; D155-G157 PolarHBondContact OD1-N 2.86Å; D155-G157 VanDerWaalsContact OD1-N 3.16Å
156F83.9Confident80.3Confident0 Ų054.3 Ų54.30%030%0.296CS..  trans-86.915.3176.3-63.6-87.2000113.3E62 I65 H66 L69 I74 L128 H135 I153 L158 A159E62-F156 HydrophobicContact CG-CB 4.33Å; I65-F156 HydrophobicContact CG2-CD1 4.5Å; H66-F156 HydrophobicContact CB-CB 4.47Å; H66-F156 HydrophobicContact CB-CD2 4.19Å; H66-F156 AromaticContact CD2-CD2 3.81Å; H66-F156 AromaticContact CD2-CE2 3.87Å; H66-F156 AromaticContact CE1-CD2 3.95Å; H66-F156 AromaticContact CG-CD2 3.7Å; H66-F156 AromaticContact ND1-CD2 3.8Å; H66-F156 AromaticContact NE2-CD2 3.97Å; H66-F156 AromaticContact NE2-CE2 3.86Å; L69-F156 HydrophobicContact CD1-CD1 3.86Å; L69-F156 HydrophobicContact CD1-CD2 4.38Å; L69-F156 HydrophobicContact CD1-CE1 3.45Å; L69-F156 VanDerWaalsContact CD1-CE1 3.45Å; L69-F156 HydrophobicContact CD1-CE2 4.02Å; L69-F156 HydrophobicContact CD1-CG 4.32Å; L69-F156 HydrophobicContact CD1-CZ 3.54Å; I74-F156 HydrophobicContact CG1-CZ 4.49Å; I74-F156 HydrophobicContact CG2-CE2 3.9Å; I74-F156 HydrophobicContact CG2-CZ 3.65Å; L128-F156 HydrophobicContact CD1-CE1 3.92Å; L128-F156 HydrophobicContact CD2-CE1 3.77Å; L128-F156 HydrophobicContact CD2-CZ 4.36Å; H135-F156 AromaticContact CD2-CD1 3.94Å; H135-F156 AromaticContact CD2-CE1 3.76Å; I153-F156 HydrophobicContact CG2-CZ 4.29Å; F156-L158 PolarHBondContact O-N 3.43Å; F156-L158 VanDerWaalsContact O-N 3.11Å; F156-A159 HydrophobicContact CB-CB 3.92Å; F156-A159 HydrophobicContact CD1-CB 3.9Å; F156-A159 HydrophobicContact CG-CB 4.43Å; F156-A159 WeakPolarHBondContact O-CB 3.49Å; F156-A159 PolarHBondContact O-N 3.41Å
157G72.6Confident78.1Confident8 Ų858 Ų588%0.08232%0.315CS..THydrogen-bonded Turntrans-62.3-20.4-176.900000114.8D155D155-G157 VanDerWaalsContact C-N 3.26Å; D155-G157 PolarHBondContact O-N 3.45Å; D155-G157 PolarHBondContact OD1-N 2.86Å; D155-G157 VanDerWaalsContact OD1-N 3.16Å
158L68.6Low76Confident28 Ų2851.9 Ų51.915%0.14729%0.289CS..THydrogen-bonded Turntrans-110.20.6173.3-66.6175.3000113.1H135 R136 D137 F156 C172H135-L158 CarbonylContact O-C 3.51Å; R136-L158 PolarHBondContact NE-O 3.28Å; R136-L158 PolarHBondContact NH2-O 2.8Å; D137-L158 HydrophobicContact CB-CB 4.3Å; D137-L158 HydrophobicContact CB-CD1 3.69Å; F156-L158 PolarHBondContact O-N 3.43Å; F156-L158 VanDerWaalsContact O-N 3.11Å; L158-C172 HydrophobicContact CD1-CB 4.12Å; L158-C172 HydrophobicContact CD2-CB 4.19Å
159A76.9Confident73.8Confident0 Ų051.6 Ų51.60%028%0.282CS..  trans-64.3150.318000000111.5R61 I65 I133 I134 F156R61-A159 VanDerWaalsContact CD-O 3.26Å; R61-A159 WeakPolarHBondContact CD-O 3.3Å; I65-A159 HydrophobicContact CD1-CB 3.98Å; I65-A159 HydrophobicContact CG2-CB 4.42Å; I133-A159 HydrophobicContact CG2-CB 4.24Å; I134-A159 VanDerWaalsContact O-CA 3.27Å; I134-A159 WeakPolarHBondContact O-CA 3.31Å; F156-A159 HydrophobicContact CB-CB 3.92Å; F156-A159 HydrophobicContact CD1-CB 3.9Å; F156-A159 HydrophobicContact CG-CB 4.43Å; F156-A159 WeakPolarHBondContact O-CB 3.49Å; F156-A159 PolarHBondContact O-N 3.41Å
160T79.5Confident71.4Confident12 Ų1251.6 Ų51.67%0.07429%0.285CS..EExtended strand (participates in β ladder)trans-140.7148.7174.3-160.60000110.2I133 I134I133-T160 CarbonylContact C-O 3.5Å; I133-T160 WeakPolarHBondContact CA-O 3.08Å; I134-T160 HydrophobicContact CB-CG2 4.44Å; I134-T160 PolarHBondContact N-O 3.47Å; I134-T160 PolarHBondContact O-N 2.98Å
161K78.3Confident68.9Low99 Ų9948.7 Ų48.743%0.4327%0.274SS..EExtended strand (participates in β ladder)trans-85.5135.7166.1-164.7179.8179.6-168.50108N132 E163 H168N132-K161 HydrophobicContact CB-CG 4.46Å; N132-K161 CarbonylContact O-C 3.52Å; N132-K161 VanDerWaalsContact O-CA 3.27Å; N132-K161 WeakPolarHBondContact O-CA 3.39Å; K161-E163 PolarHBondContact O-N 3.32Å; K161-H168 PolarHBondContact O-NE2 3.48Å
162I74.1Confident66.5Low52 Ų5249.7 Ų49.727%0.26728%0.281SS..  trans-77.4116.2171.7-54.2175.9000106.9N132 I134 L190N132-I162 HydrophobicContact CB-CB 4.32Å; N132-I162 PolarHBondContact O-N 3.36Å; I134-I162 HydrophobicContact CD1-CD1 3.55Å; I134-I162 HydrophobicContact CD1-CG1 3.5Å; I134-I162 VanDerWaalsContact CD1-CG1 3.5Å; I134-I162 HydrophobicContact CG1-CD1 3.64Å; I134-I162 HydrophobicContact CG1-CG1 3.68Å; I162-L190 HydrophobicContact CD1-CD2 3.5Å; I162-L190 HydrophobicContact CD1-CG 3.69Å
163E66.9Low64.3Low99 Ų9950.3 Ų50.346%0.46329%0.292SS..  trans-106.1137.7170-60.6-162.4162.800109.7K161 G165 E166K161-E163 PolarHBondContact O-N 3.32Å; E163-G165 PolarHBondContact O-N 2.94Å; E163-G165 VanDerWaalsContact O-N 3.11Å; E163-E166 HydrophobicContact CB-CG 4.32Å; E163-E166 PolarHBondContact O-N 2.92Å; E163-E166 VanDerWaalsContact O-N 3.16Å
164P53.1Low62.6Low141 Ų14153 Ų5392%0.91631%0.308SS*.THydrogen-bonded Turntrans-57.4118.6177.3-21.331.7000110.8
165G43.9Very low61Low83 Ų8354.8 Ų54.886%0.85632%0.32SS*.THydrogen-bonded Turntrans100.9-4.6179.200000115.7E163E163-G165 PolarHBondContact O-N 2.94Å; E163-G165 VanDerWaalsContact O-N 3.11Å
166E45.7Very low60.2Low91 Ų9153.3 Ų53.343%0.42531%0.312SS..  trans-89.1120.6173.8-76.9-160.9142.800112.8E163 H168E163-E166 HydrophobicContact CB-CG 4.32Å; E163-E166 PolarHBondContact O-N 2.92Å; E163-E166 VanDerWaalsContact O-N 3.16Å; E166-H168 PolarHBondContact O-N 3.24Å; E166-H168 IonicContact OE2-CE1 3.39Å; E166-H168 PolarHBondContact OE2-CE1 3.41Å; E166-H168 VanDerWaalsContact OE2-CE1 3.29Å
167D49.3Very low60Low92 Ų9253.9 Ų53.949%0.49231%0.314SS..  trans-82.896.2172.2-86.4-10.8000110.9K169D167-K169 HydrophobicContact CB-CD 4.05Å; D167-K169 HydrophobicContact CB-CG 4.25Å; D167-K169 PolarHBondContact O-N 3.47Å; D167-K169 WeakPolarHBondContact OD2-CE 3.16Å; D167-K169 IonicContact OD2-NZ 3.18Å; D167-K169 PolarHBondContact OD2-NZ 3.29Å
168H50.4Low60.4Low17 Ų1754 Ų548%0.07931%0.312CS..  trans-77.482.9173.6-56.1-46.1000111.5K161 E166 Q188K161-H168 PolarHBondContact O-NE2 3.48Å; E166-H168 PolarHBondContact O-N 3.24Å; E166-H168 IonicContact OE2-CE1 3.39Å; E166-H168 PolarHBondContact OE2-CE1 3.41Å; E166-H168 VanDerWaalsContact OE2-CE1 3.29Å; H168-Q188 HydrophobicContact CB-CB 4.27Å; H168-Q188 WeakPolarHBondContact O-CG 3.34Å; H168-Q188 PolarHBondContact O-N 3.34Å
169K47.1Very low61.2Low111 Ų11152.7 Ų52.748%0.48331%0.305SS..  trans-99.37-176.7-71.7170.5173.5160.70115.1D167D167-K169 HydrophobicContact CB-CD 4.05Å; D167-K169 HydrophobicContact CB-CG 4.25Å; D167-K169 PolarHBondContact O-N 3.47Å; D167-K169 WeakPolarHBondContact OD2-CE 3.16Å; D167-K169 IonicContact OD2-NZ 3.18Å; D167-K169 PolarHBondContact OD2-NZ 3.29Å
170T44.9Very low61.7Low53 Ų5353 Ų5333%0.32531%0.307SS..  trans-80.7123.6-173.8-40.20000112.4C172 Q188T170-C172 PolarHBondContact O-N 3.46Å; T170-Q188 PolarHBondContact O-NE2 3.15Å
171M43.4Very low62.1Low48 Ų4852.8 Ų52.824%0.23631%0.306CS..  trans-70.4102.3171.9-175.3-167.1-81.300110I178 H185M171-I178 HydrophobicContact CG-CD1 4.06Å; M171-H185 WeakPolarHBondContact CE-CE1 3.19Å; M171-H185 VanDerWaalsContact CE-NE2 3.34Å; M171-H185 WeakPolarHBondContact CE-NE2 3.32Å
172C45.1Very low62.1Low22 Ų2248.2 Ų48.215%0.14929%0.286CS..  trans-129.6147.8175.5-67.60000108.6L158 T170L158-C172 HydrophobicContact CD1-CB 4.12Å; L158-C172 HydrophobicContact CD2-CB 4.19Å; T170-C172 PolarHBondContact O-N 3.46Å
173G52.3Low62Low30 Ų3045.8 Ų45.831%0.30927%0.274SS..SBendtrans123.4163.3175.500000114.4D137D137-G173 WeakPolarHBondContact OD1-CA 3.4Å
174T61.2Low62.3Low56 Ų5642.7 Ų42.734%0.34426%0.263SS..  trans-74.1129.4176.7-61.80000111.1D137 N176 Y177 I178D137-T174 PolarHBondContact OD1-N 3.47Å; T174-N176 PolarHBondContact O-N 2.73Å; T174-Y177 HydrophobicContact CG2-CD2 4.04Å; T174-Y177 HydrophobicContact CG2-CE2 4.5Å; T174-Y177 PolarHBondContact O-N 2.93Å; T174-I178 PolarHBondContact O-N 3.47Å
175P57.6Low62.9Low46 Ų4638.2 Ų38.230%0.29923%0.23SC..THydrogen-bonded Turntrans-53.5-29.3-171.9-29.734.4000116.4Y177 I178 V216 T219P175-Y177 VanDerWaalsContact C-N 3.31Å; P175-Y177 PolarHBondContact O-N 3.36Å; P175-I178 WeakPolarHBondContact O-CG2 3.49Å; P175-V216 HydrophobicContact CB-CG1 4.02Å; P175-V216 HydrophobicContact CG-CG1 3.91Å; P175-V216 HydrophobicContact CG-CG2 4.42Å; P175-T219 HydrophobicContact CB-CG2 4.47Å; P175-T219 WeakPolarHBondContact O-CG2 3.36Å
176N68.5Low63.9Low32 Ų3238.9 Ų38.917%0.17121%0.214CC..THydrogen-bonded Turntrans-77.4-13179.7-77.7-24.2000114.3T174 P209 D212 T219T174-N176 PolarHBondContact O-N 2.73Å; N176-P209 HydrophobicContact CB-CB 3.9Å; N176-P209 HydrophobicContact CB-CG 4.11Å; N176-D212 PolarHBondContact ND2-OD1 2.84Å; N176-D212 PolarHBondContact OD1-OD1 3.43Å; N176-T219 WeakPolarHBondContact OD1-CG2 3.25Å
177Y80.6Confident64.9Low12 Ų1240.4 Ų40.45%0.04722%0.221CC..THydrogen-bonded Turntrans-121.93.2-177.5-58.8-81.5000112.6T139 T174 P175 S196 C199 M200T139-Y177 HydrophobicContact CG2-CD2 3.63Å; T139-Y177 HydrophobicContact CG2-CE2 4.22Å; T139-Y177 HydrophobicContact CG2-CG 4.1Å; T174-Y177 HydrophobicContact CG2-CD2 4.04Å; T174-Y177 HydrophobicContact CG2-CE2 4.5Å; T174-Y177 PolarHBondContact O-N 2.93Å; P175-Y177 VanDerWaalsContact C-N 3.31Å; P175-Y177 PolarHBondContact O-N 3.36Å; Y177-S196 PolarHBondContact O-OG 3.39Å; Y177-C199 HydrophobicContact CD1-CB 3.51Å; Y177-C199 HydrophobicContact CE1-CB 4.04Å; Y177-C199 HydrophobicContact CG-CB 4.47Å; Y177-M200 HydrophobicContact CD1-CG 3.96Å; Y177-M200 HydrophobicContact CE1-CG 3.81Å
178I80.8Confident66Low10 Ų1036.5 Ų36.55%0.05120%0.2CC..  trans-72.4137.7179.3-157169.3000110M171 T174 P175 V182 W195 L220 V223M171-I178 HydrophobicContact CG-CD1 4.06Å; T174-I178 PolarHBondContact O-N 3.47Å; P175-I178 WeakPolarHBondContact O-CG2 3.49Å; I178-V182 HydrophobicContact CD1-CB 4.33Å; I178-V182 HydrophobicContact CD1-CG1 3.68Å; I178-V182 HydrophobicContact CG1-CB 3.7Å; I178-V182 HydrophobicContact CG1-CG1 3.47Å; I178-V182 VanDerWaalsContact CG1-CG1 3.47Å; I178-W195 PolarHBondContact O-NE1 3.28Å; I178-L220 HydrophobicContact CD1-CD2 4.46Å; I178-L220 HydrophobicContact CG2-CD2 3.7Å; I178-V223 HydrophobicContact CG2-CG1 4.38Å; I178-V223 HydrophobicContact CG2-CG2 4.46Å; I178-V223 WeakPolarHBondContact O-CG1 3.43Å
179S86.3Confident67.5Low0 Ų036.6 Ų36.60%021%0.205CC..  trans-83.8157.7178.165.50000112.2E181 V182 A183 W195S179-E181 VanDerWaalsContact C-N 3.27Å; S179-E181 VanDerWaalsContact CB-CD 3.46Å; S179-E181 WeakPolarHBondContact CB-OE1 3.28Å; S179-E181 VanDerWaalsContact CB-OE2 3.27Å; S179-E181 WeakPolarHBondContact CB-OE2 3.39Å; S179-E181 PolarHBondContact O-N 2.59Å; S179-E181 PolarHBondContact OG-OE1 2.84Å; S179-E181 PolarHBondContact OG-OE2 3.07Å; S179-E181 VanDerWaalsContact OG-OE2 3.14Å; S179-V182 PolarHBondContact O-N 3.08Å; S179-V182 VanDerWaalsContact O-N 3.12Å; S179-V182 WeakPolarHBondContact OG-CG2 3.13Å; S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 3.09Å; S179-W195 VanDerWaalsContact CA-CD1 3.4Å
180P87.6Confident69.5Low6 Ų633.5 Ų33.54%0.03919%0.194CC..Hα-helixtrans-55.8-38.3-179.7-26.634.6000113.5A183 S184 W195 V223 R248P180-A183 PolarHBondContact O-N 3.28Å; P180-S184 WeakPolarHBondContact O-CB 3.48Å; P180-S184 PolarHBondContact O-N 3.19Å; P180-S184 PolarHBondContact O-OG 3.32Å; P180-S184 VanDerWaalsContact O-OG 3.1Å; P180-W195 HydrophobicContact CG-CE3 4.13Å; P180-W195 HydrophobicContact CG-CH2 3.53Å; P180-W195 HydrophobicContact CG-CZ2 3.97Å; P180-W195 HydrophobicContact CG-CZ3 3.62Å; P180-V223 HydrophobicContact CG-CG1 4.07Å; P180-R248 HydrophobicContact CB-CG 4.49Å
181E86.1Confident71.7Confident8 Ų832.7 Ų32.74%0.03719%0.186CC..Hα-helixtrans-69.2-35.917870.5-78.3-176.100112.5S179 S184 H185 N186 T192 P250 R253S179-E181 VanDerWaalsContact C-N 3.27Å; S179-E181 VanDerWaalsContact CB-CD 3.46Å; S179-E181 WeakPolarHBondContact CB-OE1 3.28Å; S179-E181 VanDerWaalsContact CB-OE2 3.27Å; S179-E181 WeakPolarHBondContact CB-OE2 3.39Å; S179-E181 PolarHBondContact O-N 2.59Å; S179-E181 PolarHBondContact OG-OE1 2.84Å; S179-E181 PolarHBondContact OG-OE2 3.07Å; S179-E181 VanDerWaalsContact OG-OE2 3.14Å; E181-S184 WeakPolarHBondContact CA-OG 3.45Å; E181-S184 PolarHBondContact O-N 3.05Å; E181-S184 PolarHBondContact O-OG 3.31Å; E181-H185 PolarHBondContact O-N 2.91Å; E181-H185 VanDerWaalsContact O-N 3.16Å; E181-N186 HydrophobicContact CB-CB 3.99Å; E181-N186 PolarHBondContact O-N 2.84Å; E181-T192 WeakPolarHBondContact OE1-CA 3.36Å; E181-T192 PolarHBondContact OE1-OG1 2.65Å; E181-P250 HydrophobicContact CB-CG 4.09Å; E181-P250 HydrophobicContact CG-CG 3.95Å; E181-R253 IonicContact OE1-CZ 3.1Å; E181-R253 IonicContact OE1-NH1 3.43Å; E181-R253 PolarHBondContact OE1-NH1 3.49Å; E181-R253 IonicContact OE1-NH2 3.91Å; E181-R253 IonicContact OE2-CZ 3.29Å; E181-R253 IonicContact OE2-NH1 2.66Å; E181-R253 PolarHBondContact OE2-NH1 3.16Å; E181-R253 IonicContact OE2-NH2 3.99Å; E181-R253 PolarHBondContact OE2-NH2 3.41Å
182V79.7Confident74Confident3 Ų330.6 Ų30.62%0.01818%0.176CC..Hα-helixtrans-70.4-42.8173.2179.60000109.6I178 S179 S184 H185 Q188 T192I178-V182 HydrophobicContact CD1-CB 4.33Å; I178-V182 HydrophobicContact CD1-CG1 3.68Å; I178-V182 HydrophobicContact CG1-CB 3.7Å; I178-V182 HydrophobicContact CG1-CG1 3.47Å; I178-V182 VanDerWaalsContact CG1-CG1 3.47Å; S179-V182 PolarHBondContact O-N 3.08Å; S179-V182 VanDerWaalsContact O-N 3.12Å; S179-V182 WeakPolarHBondContact OG-CG2 3.13Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 3.34Å; V182-H185 PolarHBondContact O-N 3.38Å; V182-Q188 HydrophobicContact CG2-CG 3.83Å; V182-T192 HydrophobicContact CG2-CG2 3.54Å
183A71.8Confident76.3Confident1 Ų129.5 Ų29.51%0.00817%0.169CC..Hα-helixtrans-61.2-37.1176.100000111.4S179 P180 L220 V223 L224 R685S179-A183 WeakPolarHBondContact O-CB 3.41Å; S179-A183 PolarHBondContact O-N 3.09Å; P180-A183 PolarHBondContact O-N 3.28Å; A183-L220 HydrophobicContact CB-CD2 4.03Å; A183-V223 HydrophobicContact CB-CG1 4.45Å; A183-L224 HydrophobicContact CB-CD2 4.04Å; A183-L224 HydrophobicContact CB-CG 4.37Å; A183-R685 PolarHBondContact O-NH2 3.07Å
184S72.9Confident78.3Confident35 Ų3528.4 Ų28.425%0.24516%0.156CC..THydrogen-bonded Turntrans-83.9-1.3178.369.40000114.8P180 E181 V182 N186P180-S184 WeakPolarHBondContact O-CB 3.48Å; P180-S184 PolarHBondContact O-N 3.19Å; P180-S184 PolarHBondContact O-OG 3.32Å; P180-S184 VanDerWaalsContact O-OG 3.1Å; E181-S184 WeakPolarHBondContact CA-OG 3.45Å; E181-S184 PolarHBondContact O-N 3.05Å; E181-S184 PolarHBondContact O-OG 3.31Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 3.34Å; S184-N186 VanDerWaalsContact C-N 3.27Å; S184-N186 PolarHBondContact OG-ND2 2.88Å
185H65.1Low80Confident46 Ų4625.7 Ų25.721%0.21314%0.14CC..THydrogen-bonded Turntrans62.927.3-173.4-57.3-76.1000114.7M171 E181 V182 R685M171-H185 WeakPolarHBondContact CE-CE1 3.19Å; M171-H185 VanDerWaalsContact CE-NE2 3.34Å; M171-H185 WeakPolarHBondContact CE-NE2 3.32Å; E181-H185 PolarHBondContact O-N 2.91Å; E181-H185 VanDerWaalsContact O-N 3.16Å; V182-H185 PolarHBondContact O-N 3.38Å; H185-R685 PolarHBondContact CD2-NH1 3.08Å
186N65.4Low81.8Confident97 Ų9723.7 Ų23.752%0.51913%0.127SC..PPolyproline II helixtrans-79.9170171.4-70.3-9.1000110.8E181 S184 Q188E181-N186 HydrophobicContact CB-CB 3.99Å; E181-N186 PolarHBondContact O-N 2.84Å; S184-N186 VanDerWaalsContact C-N 3.27Å; S184-N186 PolarHBondContact OG-ND2 2.88Å; N186-Q188 PolarHBondContact O-N 3.49Å
187Q67.6Low83.1Confident124 Ų12422.2 Ų22.258%0.57912%0.119SC*.PPolyproline II helixtrans-60.4130.7178.8-1721766.300110.9
188Q70.7Confident83.9Confident9 Ų921.7 Ų21.74%0.04212%0.117CC..PPolyproline II helixtrans-84.6139.7176.7-63.3172.5-4.300110.3H168 T170 V182 N186H168-Q188 HydrophobicContact CB-CB 4.27Å; H168-Q188 WeakPolarHBondContact O-CG 3.34Å; H168-Q188 PolarHBondContact O-N 3.34Å; T170-Q188 PolarHBondContact O-NE2 3.15Å; V182-Q188 HydrophobicContact CG2-CG 3.83Å; N186-Q188 PolarHBondContact O-N 3.49Å
189G82.7Confident84.6Confident19 Ų1921.2 Ų21.220%0.19611%0.114CC..  trans-130.2-175.4176.400000111.7E191 T192G189-E191 PolarHBondContact O-N 2.98Å; G189-T192 VanDerWaalsContact O-CB 3.31Å; G189-T192 WeakPolarHBondContact O-CB 3.36Å; G189-T192 PolarHBondContact O-N 2.7Å; G189-T192 VanDerWaalsContact O-N 3.12Å; G189-T192 PolarHBondContact O-OG1 3.12Å
190L89.1Confident85.1Confident47 Ų4721.3 Ų21.325%0.24612%0.115CC..THydrogen-bonded Turntrans-59.3-29173.7-62.4173.3000111.3H129 I134 I162 T192 D193H129-L190 HydrophobicContact CB-CD1 4.38Å; H129-L190 HydrophobicContact CB-CD2 3.96Å; H129-L190 PolarHBondContact CE1-O 3.34Å; I134-L190 HydrophobicContact CG1-CD2 3.97Å; I162-L190 HydrophobicContact CD1-CD2 3.5Å; I162-L190 HydrophobicContact CD1-CG 3.69Å; L190-T192 PolarHBondContact O-N 3.37Å; L190-D193 PolarHBondContact O-N 3.22Å
191E91.9Very high85.5Confident35 Ų3521 Ų2116%0.16411%0.113CC..Hα-helixtrans-63.5-19.3178.1-64.274.9-167.800113.5G189 V194 W195 P250 R253 K255G189-E191 PolarHBondContact O-N 2.98Å; E191-V194 WeakPolarHBondContact O-CB 3.49Å; E191-V194 PolarHBondContact O-N 3.26Å; E191-W195 PolarHBondContact O-N 3.46Å; E191-P250 HydrophobicContact CB-CB 3.81Å; E191-P250 HydrophobicContact CG-CB 4.15Å; E191-P250 WeakPolarHBondContact CG-O 3.44Å; E191-R253 PolarHBondContact O-NH1 3.28Å; E191-K255 IonicContact OE1-NZ 2.69Å; E191-K255 PolarHBondContact OE1-NZ 3.04Å
192T91Very high86.1Confident4 Ų421 Ų213%0.02511%0.112CC..Hα-helixtrans-64.7-43.9175.4-63.10000110.9E181 V182 G189 L190 V194 W195 S196E181-T192 WeakPolarHBondContact OE1-CA 3.36Å; E181-T192 PolarHBondContact OE1-OG1 2.65Å; V182-T192 HydrophobicContact CG2-CG2 3.54Å; G189-T192 VanDerWaalsContact O-CB 3.31Å; G189-T192 WeakPolarHBondContact O-CB 3.36Å; G189-T192 PolarHBondContact O-N 2.7Å; G189-T192 VanDerWaalsContact O-N 3.12Å; G189-T192 PolarHBondContact O-OG1 3.12Å; L190-T192 PolarHBondContact O-N 3.37Å; T192-V194 PolarHBondContact O-N 2.87Å; T192-W195 WeakPolarHBondContact O-CB 3.4Å; T192-W195 PolarHBondContact O-N 3.42Å; T192-S196 PolarHBondContact O-N 2.92Å; T192-S196 PolarHBondContact O-OG 2.76Å
193D93.1Very high86.8Confident0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-66-29.3176.3-75-18.8000111.9L125 H129 I134 H135 R136 L138 L190 S196 L197L125-D193 HydrophobicContact CD2-CB 4.4Å; H129-D193 IonicContact CD2-OD2 3.79Å; H129-D193 IonicContact NE2-OD2 2.88Å; H129-D193 PolarHBondContact NE2-OD2 2.69Å; I134-D193 WeakPolarHBondContact CG2-OD2 3.44Å; H135-D193 PolarHBondContact N-OD1 2.86Å; H135-D193 PolarHBondContact N-OD2 3.26Å; R136-D193 PolarHBondContact N-OD1 3.17Å; L138-D193 HydrophobicContact CD1-CB 3.52Å; L190-D193 PolarHBondContact O-N 3.22Å; D193-S196 PolarHBondContact O-N 2.94Å; D193-L197 WeakPolarHBondContact O-CB 3.48Å; D193-L197 PolarHBondContact O-N 2.95Å
194V95.4Very high87.9Confident6 Ų621.1 Ų21.14%0.03611%0.113CC..Hα-helixtrans-67.1-39.5177-178.50000111.4E191 T192 L197 G198 L245 R253 L254 L256E191-V194 WeakPolarHBondContact O-CB 3.49Å; E191-V194 PolarHBondContact O-N 3.26Å; T192-V194 PolarHBondContact O-N 2.87Å; V194-L197 WeakPolarHBondContact O-CB 3.36Å; V194-L197 PolarHBondContact O-N 3.13Å; V194-G198 PolarHBondContact O-N 2.91Å; V194-L245 HydrophobicContact CG1-CD2 3.71Å; V194-R253 HydrophobicContact CG1-CB 4.4Å; V194-L254 WeakPolarHBondContact CG1-O 3.45Å; V194-L256 HydrophobicContact CG2-CD2 3.96Å; V194-L256 HydrophobicContact CG2-CG 3.88Å
195W95.7Very high89Confident0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-62.3-48.8173.2174.1-84.3000111.3I178 S179 P180 E191 T192 L197 G198 C199 F211 V223 V226 L246 R247I178-W195 PolarHBondContact O-NE1 3.28Å; S179-W195 VanDerWaalsContact CA-CD1 3.4Å; P180-W195 HydrophobicContact CG-CE3 4.13Å; P180-W195 HydrophobicContact CG-CH2 3.53Å; P180-W195 HydrophobicContact CG-CZ2 3.97Å; P180-W195 HydrophobicContact CG-CZ3 3.62Å; E191-W195 PolarHBondContact O-N 3.46Å; T192-W195 WeakPolarHBondContact O-CB 3.4Å; T192-W195 PolarHBondContact O-N 3.42Å; W195-L197 PolarHBondContact O-N 2.77Å; W195-G198 WeakPolarHBondContact O-CA 3.27Å; W195-G198 PolarHBondContact O-N 2.82Å; W195-C199 PolarHBondContact O-N 2.94Å; W195-F211 AromaticContact CH2-CE2 3.96Å; W195-F211 HydrophobicContact CH2-CE2 3.96Å; W195-F211 AromaticContact CH2-CZ 3.68Å; W195-F211 HydrophobicContact CH2-CZ 3.68Å; W195-F211 HydrophobicContact CZ2-CD2 4.19Å; W195-F211 AromaticContact CZ2-CE2 3.28Å; W195-F211 HydrophobicContact CZ2-CE2 3.28Å; W195-F211 AromaticContact CZ2-CZ 3.51Å; W195-F211 HydrophobicContact CZ2-CZ 3.51Å; W195-V223 HydrophobicContact CZ2-CG1 3.92Å; W195-V226 HydrophobicContact CH2-CG1 4.37Å; W195-V226 HydrophobicContact CH2-CG2 4.15Å; W195-V226 HydrophobicContact CZ3-CG2 4.42Å; W195-L246 HydrophobicContact CD2-CD2 3.84Å; W195-L246 HydrophobicContact CE3-CB 4.45Å; W195-L246 HydrophobicContact CE3-CD2 3.96Å; W195-L246 HydrophobicContact CG-CD2 4.34Å; W195-L246 HydrophobicContact CH2-CB 4.47Å; W195-L246 HydrophobicContact CH2-CD2 4.45Å; W195-L246 HydrophobicContact CZ2-CD2 4.34Å; W195-L246 HydrophobicContact CZ3-CB 4.12Å; W195-L246 HydrophobicContact CZ3-CD2 4.26Å; W195-R247 WeakPolarHBondContact CZ3-O 3.46Å
196S95Very high90.4Very high4 Ų419.3 Ų19.33%0.02810%0.103CC..Hα-helixtrans-59.9-37.2178.1-55.70000111.7Y177 T192 D193 C199 M200Y177-S196 PolarHBondContact O-OG 3.39Å; T192-S196 PolarHBondContact O-N 2.92Å; T192-S196 PolarHBondContact O-OG 2.76Å; D193-S196 PolarHBondContact O-N 2.94Å; S196-C199 PolarHBondContact O-N 2.81Å; S196-M200 WeakPolarHBondContact O-CB 3.42Å; S196-M200 WeakPolarHBondContact O-CG 3.38Å; S196-M200 PolarHBondContact O-N 3.25Å
197L96.3Very high91.6Very high1 Ų116.3 Ų16.31%0.00510%0.095CC..Hα-helixtrans-59.2-44.1171179.568.8000112.3L121 I122 L125 D193 V194 W195 M200 F201 L256 I259L121-L197 HydrophobicContact CB-CD1 4.12Å; L121-L197 HydrophobicContact CD1-CD1 4.16Å; I122-L197 HydrophobicContact CG1-CD2 3.94Å; L125-L197 HydrophobicContact CD1-CB 4.34Å; L125-L197 HydrophobicContact CD1-CD1 4.32Å; L125-L197 HydrophobicContact CD1-CD2 4.17Å; D193-L197 WeakPolarHBondContact O-CB 3.48Å; D193-L197 PolarHBondContact O-N 2.95Å; V194-L197 WeakPolarHBondContact O-CB 3.36Å; V194-L197 PolarHBondContact O-N 3.13Å; W195-L197 PolarHBondContact O-N 2.77Å; L197-M200 HydrophobicContact CD1-CE 4.34Å; L197-M200 PolarHBondContact O-N 2.77Å; L197-F201 WeakPolarHBondContact O-CB 3.4Å; L197-F201 PolarHBondContact O-N 3.18Å; L197-L256 HydrophobicContact CD2-CD2 3.94Å; L197-I259 HydrophobicContact CD2-CD1 3.83Å
198G97Very high92.7Very high0 Ų014.8 Ų14.80%09%0.088CC..Hα-helixtrans-60-46.8174.900000112.8V194 W195 M200 F201 Y202V194-G198 PolarHBondContact O-N 2.91Å; W195-G198 WeakPolarHBondContact O-CA 3.27Å; W195-G198 PolarHBondContact O-N 2.82Å; G198-M200 VanDerWaalsContact C-N 3.34Å; G198-M200 PolarHBondContact O-N 3.18Å; G198-F201 PolarHBondContact O-N 3.41Å; G198-Y202 PolarHBondContact O-N 3.27Å
199C96.5Very high93.8Very high0 Ų015.1 Ų15.10%09%0.091CC..Hα-helixtrans-62.2-40.5175.9-72.70000112.2Y177 W195 S196 T203 P210Y177-C199 HydrophobicContact CD1-CB 3.51Å; Y177-C199 HydrophobicContact CE1-CB 4.04Å; Y177-C199 HydrophobicContact CG-CB 4.47Å; W195-C199 PolarHBondContact O-N 2.94Å; S196-C199 PolarHBondContact O-N 2.81Å; C199-T203 WeakPolarHBondContact O-CB 3.35Å; C199-T203 PolarHBondContact O-N 2.78Å; C199-T203 PolarHBondContact O-OG1 2.79Å; C199-P210 HydrophobicContact CB-CG 4.16Å
200M96Very high94.3Very high2 Ų214.4 Ų14.41%0.018%0.083CC..Hα-helixtrans-65.1-43.7175.1-74.3-170.2-62.600111.8L138 L140 L143 Y177 S196 L197 G198 T203 L204L138-M200 HydrophobicContact CB-CE 3.89Å; L140-M200 HydrophobicContact CD2-CB 3.93Å; L140-M200 HydrophobicContact CD2-CG 3.92Å; L140-M200 HydrophobicContact CD2-SD 4.15Å; L140-M200 HydrophobicContact CG-CG 4.25Å; L143-M200 HydrophobicContact CD1-CE 4.43Å; L143-M200 HydrophobicContact CD1-SD 3.69Å; L143-M200 HydrophobicContact CG-SD 4.25Å; Y177-M200 HydrophobicContact CD1-CG 3.96Å; Y177-M200 HydrophobicContact CE1-CG 3.81Å; S196-M200 WeakPolarHBondContact O-CB 3.42Å; S196-M200 WeakPolarHBondContact O-CG 3.38Å; S196-M200 PolarHBondContact O-N 3.25Å; L197-M200 HydrophobicContact CD1-CE 4.34Å; L197-M200 PolarHBondContact O-N 2.77Å; G198-M200 VanDerWaalsContact C-N 3.34Å; G198-M200 PolarHBondContact O-N 3.18Å; M200-T203 PolarHBondContact O-N 2.79Å; M200-L204 VanDerWaalsContact O-CG 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.43Å; M200-L204 PolarHBondContact O-N 2.85Å
201F97.3Very high94.4Very high1 Ų112.1 Ų12.10%0.0047%0.071CC..Hα-helixtrans-60.5-47.4177.2177.4-138.6000111.7A114 L118 L197 G198 T203 L204 I205 A238 L241 I242 F264A114-F201 HydrophobicContact CB-CD2 4.19Å; A114-F201 HydrophobicContact CB-CE2 3.91Å; L118-F201 HydrophobicContact CD1-CB 3.98Å; L118-F201 HydrophobicContact CD1-CD2 3.34Å; L118-F201 HydrophobicContact CD1-CE2 4.07Å; L118-F201 HydrophobicContact CD1-CG 3.86Å; L118-F201 HydrophobicContact CD2-CB 4.08Å; L118-F201 HydrophobicContact CD2-CD1 4.06Å; L118-F201 HydrophobicContact CD2-CD2 3.76Å; L118-F201 HydrophobicContact CD2-CE1 4.48Å; L118-F201 HydrophobicContact CD2-CE2 4.19Å; L118-F201 HydrophobicContact CD2-CG 3.68Å; L118-F201 HydrophobicContact CG-CB 4.45Å; L118-F201 HydrophobicContact CG-CD2 4.19Å; L118-F201 HydrophobicContact CG-CG 4.37Å; L197-F201 WeakPolarHBondContact O-CB 3.4Å; L197-F201 PolarHBondContact O-N 3.18Å; G198-F201 PolarHBondContact O-N 3.41Å; F201-T203 VanDerWaalsContact C-N 3.32Å; F201-T203 PolarHBondContact O-N 2.77Å; F201-L204 PolarHBondContact O-N 3.08Å; F201-I205 HydrophobicContact CD2-CD1 4.45Å; F201-I205 HydrophobicContact CD2-CG2 4.24Å; F201-I205 HydrophobicContact CE1-CD1 4.39Å; F201-I205 HydrophobicContact CE2-CD1 3.95Å; F201-I205 HydrophobicContact CE2-CG2 3.82Å; F201-I205 HydrophobicContact CZ-CD1 3.9Å; F201-I205 PolarHBondContact O-N 2.76Å; F201-A238 HydrophobicContact CZ-CB 4.26Å; F201-L241 HydrophobicContact CD1-CD2 4.13Å; F201-L241 HydrophobicContact CD1-CG 4.24Å; F201-L241 HydrophobicContact CE1-CB 4.08Å; F201-L241 HydrophobicContact CE1-CD2 3.68Å; F201-L241 HydrophobicContact CE1-CG 3.94Å; F201-L241 HydrophobicContact CZ-CD2 4.27Å; F201-I242 HydrophobicContact CD1-CD1 4.34Å; F201-I242 HydrophobicContact CD1-CG1 3.63Å; F201-I242 HydrophobicContact CE1-CD1 4.26Å; F201-I242 HydrophobicContact CE1-CG1 3.76Å; F201-F264 HydrophobicContact CE1-CE1 4.4Å; F201-F264 AromaticContact CE2-CE1 3.77Å; F201-F264 HydrophobicContact CE2-CE1 3.77Å; F201-F264 AromaticContact CE2-CZ 3.7Å; F201-F264 HydrophobicContact CE2-CZ 3.7Å; F201-F264 HydrophobicContact CZ-CD1 4.03Å; F201-F264 HydrophobicContact CZ-CD2 4.43Å; F201-F264 AromaticContact CZ-CE1 3.47Å; F201-F264 HydrophobicContact CZ-CE1 3.47Å; F201-F264 VanDerWaalsContact CZ-CE1 3.47Å; F201-F264 AromaticContact CZ-CE2 3.93Å; F201-F264 HydrophobicContact CZ-CE2 3.93Å; F201-F264 HydrophobicContact CZ-CG 4.48Å; F201-F264 AromaticContact CZ-CZ 3.43Å; F201-F264 HydrophobicContact CZ-CZ 3.43Å; F201-F264 VanDerWaalsContact CZ-CZ 3.43Å
202Y97.1Very high94.2Very high6 Ų614.1 Ų14.12%0.0248%0.083CC..Hα-helixtrans-54.1-50.5171.9-178.4-77.2000110.8G198 L204 I205 V206 H208 P210 Y228 E229 L230 I242G198-Y202 PolarHBondContact O-N 3.27Å; Y202-L204 VanDerWaalsContact C-N 3.29Å; Y202-L204 PolarHBondContact O-N 3.05Å; Y202-I205 PolarHBondContact O-N 3.19Å; Y202-V206 HydrophobicContact CD1-CB 3.95Å; Y202-V206 HydrophobicContact CD1-CG1 4.48Å; Y202-V206 HydrophobicContact CD1-CG2 3.97Å; Y202-V206 HydrophobicContact CD2-CG2 4.09Å; Y202-V206 HydrophobicContact CE1-CB 3.64Å; Y202-V206 HydrophobicContact CE1-CG1 3.68Å; Y202-V206 HydrophobicContact CE1-CG2 3.79Å; Y202-V206 HydrophobicContact CE2-CG2 3.93Å; Y202-V206 HydrophobicContact CG-CG2 4.12Å; Y202-V206 VanDerWaalsContact O-CB 3.27Å; Y202-V206 WeakPolarHBondContact O-CB 3.49Å; Y202-V206 WeakPolarHBondContact O-CG2 3.39Å; Y202-V206 PolarHBondContact O-N 2.79Å; Y202-H208 WeakPolarHBondContact CD1-O 3.49Å; Y202-H208 WeakPolarHBondContact CE1-O 3.41Å; Y202-P210 HydrophobicContact CD1-CB 3.77Å; Y202-P210 HydrophobicContact CD1-CG 4.12Å; Y202-P210 HydrophobicContact CD2-CB 3.97Å; Y202-P210 VanDerWaalsContact CE1-CA 3.45Å; Y202-P210 HydrophobicContact CE1-CB 3.93Å; Y202-P210 HydrophobicContact CE2-CB 4.1Å; Y202-P210 HydrophobicContact CG-CB 3.8Å; Y202-P210 HydrophobicContact CG-CG 4.13Å; Y202-Y228 HydrophobicContact CD2-CD2 4.36Å; Y202-Y228 HydrophobicContact CE2-CD2 4.05Å; Y202-E229 VanDerWaalsContact CE2-O 3.3Å; Y202-E229 WeakPolarHBondContact CE2-O 3.28Å; Y202-E229 PolarHBondContact OH-O 2.68Å; Y202-L230 HydrophobicContact CD2-CD2 4.29Å; Y202-L230 HydrophobicContact CE2-CD2 4.16Å; Y202-I242 HydrophobicContact CD2-CD1 4.13Å; Y202-I242 HydrophobicContact CD2-CG2 4.24Å
203T95.1Very high93.8Very high7 Ų715.5 Ų15.54%0.0439%0.091CC..Hα-helixtrans-61.8-37-177.5-51.50000112.2L140 C199 M200 F201 G207 H208 P209L140-T203 HydrophobicContact CD1-CG2 3.5Å; C199-T203 WeakPolarHBondContact O-CB 3.35Å; C199-T203 PolarHBondContact O-N 2.78Å; C199-T203 PolarHBondContact O-OG1 2.79Å; M200-T203 PolarHBondContact O-N 2.79Å; F201-T203 VanDerWaalsContact C-N 3.32Å; F201-T203 PolarHBondContact O-N 2.77Å; T203-G207 WeakPolarHBondContact O-CA 3.44Å; T203-G207 PolarHBondContact O-N 2.85Å; T203-H208 WeakPolarHBondContact CA-O 3.33Å; T203-P209 WeakPolarHBondContact OG1-CA 3.42Å
204L95.6Very high92.9Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-62.5-43.7179.1-76.9170.1000112.2L99 I103 P108 V109 A114 Y117 L118 L140 M200 F201 Y202L99-L204 HydrophobicContact CD1-CD2 4.32Å; L99-L204 HydrophobicContact CD2-CD2 3.96Å; L99-L204 HydrophobicContact CG-CD2 4.18Å; I103-L204 HydrophobicContact CD1-CD2 3.72Å; I103-L204 HydrophobicContact CG1-CD2 3.89Å; P108-L204 CarbonylContact C-O 3.26Å; P108-L204 WeakPolarHBondContact CA-O 3.31Å; P108-L204 WeakPolarHBondContact CB-O 3.46Å; V109-L204 HydrophobicContact CG2-CB 3.91Å; V109-L204 HydrophobicContact CG2-CD2 4.19Å; V109-L204 WeakPolarHBondContact CG2-O 3.42Å; V109-L204 PolarHBondContact N-O 3.03Å; A114-L204 HydrophobicContact CB-CB 4.46Å; Y117-L204 HydrophobicContact CD2-CD1 4.43Å; Y117-L204 HydrophobicContact CD2-CD2 4.32Å; L118-L204 HydrophobicContact CD1-CD1 4.22Å; L140-L204 HydrophobicContact CD1-CD2 4.48Å; L140-L204 HydrophobicContact CD2-CD2 4.02Å; L140-L204 HydrophobicContact CD2-CG 4.04Å; M200-L204 VanDerWaalsContact O-CG 3.31Å; M200-L204 WeakPolarHBondContact O-CG 3.43Å; M200-L204 PolarHBondContact O-N 2.85Å; F201-L204 PolarHBondContact O-N 3.08Å; Y202-L204 VanDerWaalsContact C-N 3.29Å; Y202-L204 PolarHBondContact O-N 3.05Å
205I95.6Very high91.7Very high19 Ų1926.8 Ų26.810%0.09714%0.136CC..Hα-helixtrans-93.2-27.3-173.967.9-176.1000113.4P108 A114 F201 Y202 L234 A238 I242P108-I205 WeakPolarHBondContact CB-O 3.2Å; A114-I205 HydrophobicContact CB-CG2 3.45Å; A114-I205 VanDerWaalsContact CB-CG2 3.45Å; F201-I205 HydrophobicContact CD2-CD1 4.45Å; F201-I205 HydrophobicContact CD2-CG2 4.24Å; F201-I205 HydrophobicContact CE1-CD1 4.39Å; F201-I205 HydrophobicContact CE2-CD1 3.95Å; F201-I205 HydrophobicContact CE2-CG2 3.82Å; F201-I205 HydrophobicContact CZ-CD1 3.9Å; F201-I205 PolarHBondContact O-N 2.76Å; Y202-I205 PolarHBondContact O-N 3.19Å; I205-L234 HydrophobicContact CB-CD2 4.4Å; I205-L234 HydrophobicContact CD1-CD1 4.26Å; I205-L234 HydrophobicContact CD1-CD2 3.63Å; I205-L234 HydrophobicContact CG1-CD2 3.85Å; I205-A238 HydrophobicContact CD1-CB 4.31Å; I205-I242 HydrophobicContact CD1-CD1 3.79Å
206V94.6Very high90.6Very high25 Ų2529.2 Ų29.215%0.15215%0.15CC..Hα-helixtrans-94-30.6179.4-177.90000112Y202 P231 L234Y202-V206 HydrophobicContact CD1-CB 3.95Å; Y202-V206 HydrophobicContact CD1-CG1 4.48Å; Y202-V206 HydrophobicContact CD1-CG2 3.97Å; Y202-V206 HydrophobicContact CD2-CG2 4.09Å; Y202-V206 HydrophobicContact CE1-CB 3.64Å; Y202-V206 HydrophobicContact CE1-CG1 3.68Å; Y202-V206 HydrophobicContact CE1-CG2 3.79Å; Y202-V206 HydrophobicContact CE2-CG2 3.93Å; Y202-V206 HydrophobicContact CG-CG2 4.12Å; Y202-V206 VanDerWaalsContact O-CB 3.27Å; Y202-V206 WeakPolarHBondContact O-CB 3.49Å; Y202-V206 WeakPolarHBondContact O-CG2 3.39Å; Y202-V206 PolarHBondContact O-N 2.79Å; V206-P231 HydrophobicContact CG1-CG 3.91Å; V206-P231 HydrophobicContact CG2-CG 4.03Å; V206-L234 HydrophobicContact CG2-CD1 4.27Å; V206-L234 HydrophobicContact CG2-CD2 4.42Å
207G91.2Very high89.4Confident34 Ų3430.4 Ų30.435%0.35115%0.154SC..SBendtrans94.6-6.9177.300000115.1T203T203-G207 WeakPolarHBondContact O-CA 3.44Å; T203-G207 PolarHBondContact O-N 2.85Å
208H90.4Very high88.6Confident92 Ų9232.4 Ų32.443%0.42617%0.168SC..SBendtrans-139.4159.517163.577.1000110.7Y202 T203Y202-H208 WeakPolarHBondContact CD1-O 3.49Å; Y202-H208 WeakPolarHBondContact CE1-O 3.41Å; T203-H208 WeakPolarHBondContact CA-O 3.33Å
209P92.1Very high87.8Confident16 Ų1632.5 Ų32.510%0.10417%0.169CC..  trans-65.8152.7178-17.329.8000112.9N176 T203 F211 D212N176-P209 HydrophobicContact CB-CB 3.9Å; N176-P209 HydrophobicContact CB-CG 4.11Å; T203-P209 WeakPolarHBondContact OG1-CA 3.42Å; P209-F211 PolarHBondContact O-N 2.85Å; P209-D212 HydrophobicContact CB-CB 4.04Å; P209-D212 HydrophobicContact CG-CB 4.16Å; P209-D212 PolarHBondContact O-N 2.75Å
210P93.7Very high87.1Confident3 Ų333.2 Ų33.22%0.01917%0.172CC..THydrogen-bonded Turntrans-66.4-36.2-175.121.5-29.8000113.7C199 Y202 R222 Y228 L246C199-P210 HydrophobicContact CB-CG 4.16Å; Y202-P210 HydrophobicContact CD1-CB 3.77Å; Y202-P210 HydrophobicContact CD1-CG 4.12Å; Y202-P210 HydrophobicContact CD2-CB 3.97Å; Y202-P210 VanDerWaalsContact CE1-CA 3.45Å; Y202-P210 HydrophobicContact CE1-CB 3.93Å; Y202-P210 HydrophobicContact CE2-CB 4.1Å; Y202-P210 HydrophobicContact CG-CB 3.8Å; Y202-P210 HydrophobicContact CG-CG 4.13Å; P210-R222 PolarHBondContact O-NH2 3.17Å; P210-Y228 HydrophobicContact CB-CD2 4.35Å; P210-Y228 HydrophobicContact CB-CG 4.16Å; P210-L246 HydrophobicContact CB-CD1 4.42Å; P210-L246 HydrophobicContact CG-CD1 4.27Å
211F92.6Very high86.6Confident0 Ų036 Ų360%019%0.188CC..THydrogen-bonded Turntrans-10615.6-176.6-49.1-73.3000112.7W195 P209 T213 T219 R222 V223 D227 Y228 L246W195-F211 AromaticContact CH2-CE2 3.96Å; W195-F211 HydrophobicContact CH2-CE2 3.96Å; W195-F211 AromaticContact CH2-CZ 3.68Å; W195-F211 HydrophobicContact CH2-CZ 3.68Å; W195-F211 HydrophobicContact CZ2-CD2 4.19Å; W195-F211 AromaticContact CZ2-CE2 3.28Å; W195-F211 HydrophobicContact CZ2-CE2 3.28Å; W195-F211 AromaticContact CZ2-CZ 3.51Å; W195-F211 HydrophobicContact CZ2-CZ 3.51Å; P209-F211 PolarHBondContact O-N 2.85Å; F211-T213 PolarHBondContact O-N 3.2Å; F211-T219 HydrophobicContact CB-CG2 4.25Å; F211-T219 WeakPolarHBondContact O-CB 3.32Å; F211-T219 WeakPolarHBondContact O-CG2 3.22Å; F211-T219 PolarHBondContact O-OG1 2.96Å; F211-R222 HydrophobicContact CB-CB 4.34Å; F211-R222 HydrophobicContact CD1-CB 4.07Å; F211-V223 HydrophobicContact CB-CG2 3.78Å; F211-V223 HydrophobicContact CD1-CG2 4.27Å; F211-V223 HydrophobicContact CD2-CG2 3.66Å; F211-V223 HydrophobicContact CE2-CG2 4.36Å; F211-V223 HydrophobicContact CG-CG2 3.63Å; F211-D227 WeakPolarHBondContact CD1-O 3.47Å; F211-Y228 AromaticContact CE1-CD1 3.61Å; F211-Y228 HydrophobicContact CE1-CD1 3.61Å; F211-Y228 HydrophobicContact CE1-CG 4.11Å; F211-Y228 AromaticContact CZ-CD1 3.7Å; F211-Y228 HydrophobicContact CZ-CD1 3.7Å; F211-Y228 HydrophobicContact CZ-CE1 4.38Å; F211-Y228 HydrophobicContact CZ-CG 4.29Å; F211-L246 HydrophobicContact CE2-CD1 4.34Å; F211-L246 HydrophobicContact CZ-CD1 4.28Å
212D86.4Confident86.3Confident77 Ų7738.5 Ų38.541%0.41220%0.197SC..  trans-62.7127.6-175.7-165.748.2000110.3N176 P209 R222N176-D212 PolarHBondContact ND2-OD1 2.84Å; N176-D212 PolarHBondContact OD1-OD1 3.43Å; P209-D212 HydrophobicContact CB-CB 4.04Å; P209-D212 HydrophobicContact CG-CB 4.16Å; P209-D212 PolarHBondContact O-N 2.75Å; D212-R222 PolarHBondContact O-NH1 2.78Å
213T82Confident85.9Confident33 Ų3338.2 Ų38.220%0.20220%0.196CC..  trans-140.9172.2173.174.10000108.4F211 E215 S218 T219 R222F211-T213 PolarHBondContact O-N 3.2Å; T213-E215 VanDerWaalsContact C-N 3.27Å; T213-E215 PolarHBondContact O-N 3.41Å; T213-E215 PolarHBondContact OG1-N 3.44Å; T213-E215 PolarHBondContact OG1-O 2.94Å; T213-S218 WeakPolarHBondContact OG1-CB 3.26Å; T213-T219 PolarHBondContact N-OG1 2.83Å; T213-T219 VanDerWaalsContact N-OG1 3.11Å; T213-T219 PolarHBondContact OG1-N 3.48Å; T213-T219 PolarHBondContact OG1-OG1 3.12Å; T213-R222 VanDerWaalsContact CG2-CD 3.46Å
214R74.3Confident85.6Confident182 Ų18240 Ų4069%0.68720%0.204SC*.SBendtrans-71.9-24.7178.2-63.9-178.3178.2-165.81.8112.5L403R214-L403 HydrophobicContact CB-CD1 3.61Å; R214-L403 HydrophobicContact CB-CD2 3.5Å; R214-L403 HydrophobicContact CB-CG 4.17Å; R214-L403 HydrophobicContact CG-CD2 4.31Å
215E70.7Confident85.3Confident61 Ų6143.2 Ų43.229%0.28523%0.232SC..SBendtrans-112.9131.7-176.4-66.2171.9-140.600111.2T213 R217 S218 T219 L403T213-E215 VanDerWaalsContact C-N 3.27Å; T213-E215 PolarHBondContact O-N 3.41Å; T213-E215 PolarHBondContact OG1-N 3.44Å; T213-E215 PolarHBondContact OG1-O 2.94Å; E215-R217 PolarHBondContact O-N 3.28Å; E215-R217 VanDerWaalsContact O-N 3.14Å; E215-S218 PolarHBondContact O-N 3.06Å; E215-S218 VanDerWaalsContact O-N 3.1Å; E215-T219 PolarHBondContact O-N 3.48Å; E215-L403 VanDerWaalsContact CD-CB 3.46Å; E215-L403 HydrophobicContact CG-CB 3.43Å; E215-L403 VanDerWaalsContact CG-CB 3.43Å; E215-L403 HydrophobicContact CG-CD1 3.57Å; E215-L403 HydrophobicContact CG-CD2 3.87Å; E215-L403 HydrophobicContact CG-CG 3.74Å; E215-L403 WeakPolarHBondContact OE1-CB 3.31Å; E215-L403 WeakPolarHBondContact OE1-CD2 3.4Å
216V73.2Confident85.2Confident50 Ų5044 Ų4430%0.30324%0.237SC..Hα-helixtrans-52.5-41.2174.51760000111.4P175 T219 L220P175-V216 HydrophobicContact CB-CG1 4.02Å; P175-V216 HydrophobicContact CG-CG1 3.91Å; P175-V216 HydrophobicContact CG-CG2 4.42Å; V216-T219 WeakPolarHBondContact O-CB 3.39Å; V216-T219 PolarHBondContact O-N 2.84Å; V216-L220 HydrophobicContact CG1-CD1 4.2Å; V216-L220 HydrophobicContact CG1-CG 4.42Å; V216-L220 WeakPolarHBondContact O-CG 3.22Å; V216-L220 PolarHBondContact O-N 3Å
217R69.8Low85.1Confident30 Ų3046.7 Ų46.711%0.11325%0.251CS..Hα-helixtrans-64.1-46.5178.7-172.3-148.8-169.292.8-14.2113.2E215 T219 L220 N221 D682 S683 N684E215-R217 PolarHBondContact O-N 3.28Å; E215-R217 VanDerWaalsContact O-N 3.14Å; R217-T219 VanDerWaalsContact C-N 3.27Å; R217-T219 PolarHBondContact O-N 2.86Å; R217-L220 PolarHBondContact O-N 2.93Å; R217-L220 VanDerWaalsContact O-N 3.17Å; R217-N221 PolarHBondContact O-N 2.97Å; R217-N221 PolarHBondContact O-ND2 3.17Å; R217-D682 HydrophobicContact CG-CB 4.04Å; R217-D682 VanDerWaalsContact NH1-CA 3.33Å; R217-D682 VanDerWaalsContact NH1-CB 3.3Å; R217-D682 IonicContact NH1-OD1 3.98Å; R217-S683 VanDerWaalsContact CZ-N 3.34Å; R217-S683 PolarHBondContact NH1-OG 2.82Å; R217-S683 VanDerWaalsContact NH2-CB 3.34Å; R217-S683 PolarHBondContact NH2-OG 3.37Å; R217-N684 PolarHBondContact NH2-OD1 3.46Å
218S79.8Confident85.2Confident42 Ų4246.5 Ų46.529%0.29424%0.24SC..Hα-helixtrans-62.3-40.3178-179.20000110.3T213 E215 N221 R222T213-S218 WeakPolarHBondContact OG1-CB 3.26Å; E215-S218 PolarHBondContact O-N 3.06Å; E215-S218 VanDerWaalsContact O-N 3.1Å; S218-N221 PolarHBondContact O-N 2.86Å; S218-R222 WeakPolarHBondContact O-CG 3.5Å; S218-R222 PolarHBondContact O-N 3.19Å
219T80.3Confident85.3Confident3 Ų349.4 Ų49.42%0.01825%0.253CS..Hα-helixtrans-58.5-48.6170.6-71.40000111.9P175 N176 F211 T213 E215 V216 R217 N221 R222 V223P175-T219 HydrophobicContact CB-CG2 4.47Å; P175-T219 WeakPolarHBondContact O-CG2 3.36Å; N176-T219 WeakPolarHBondContact OD1-CG2 3.25Å; F211-T219 HydrophobicContact CB-CG2 4.25Å; F211-T219 WeakPolarHBondContact O-CB 3.32Å; F211-T219 WeakPolarHBondContact O-CG2 3.22Å; F211-T219 PolarHBondContact O-OG1 2.96Å; T213-T219 PolarHBondContact N-OG1 2.83Å; T213-T219 VanDerWaalsContact N-OG1 3.11Å; T213-T219 PolarHBondContact OG1-N 3.48Å; T213-T219 PolarHBondContact OG1-OG1 3.12Å; E215-T219 PolarHBondContact O-N 3.48Å; V216-T219 WeakPolarHBondContact O-CB 3.39Å; V216-T219 PolarHBondContact O-N 2.84Å; R217-T219 VanDerWaalsContact C-N 3.27Å; R217-T219 PolarHBondContact O-N 2.86Å; T219-N221 VanDerWaalsContact C-N 3.35Å; T219-N221 PolarHBondContact O-N 3.29Å; T219-R222 PolarHBondContact O-N 2.92Å; T219-V223 HydrophobicContact CG2-CG2 4.48Å; T219-V223 VanDerWaalsContact O-CG2 3.31Å; T219-V223 WeakPolarHBondContact O-CG2 3.34Å; T219-V223 PolarHBondContact O-N 3.41Å
220L82.2Confident85.4Confident14 Ų1451.2 Ų51.27%0.07326%0.262CS..Hα-helixtrans-61.9-39.9177.5-70.3175.9000112.5I178 A183 V216 R217 V223 L224I178-L220 HydrophobicContact CD1-CD2 4.46Å; I178-L220 HydrophobicContact CG2-CD2 3.7Å; A183-L220 HydrophobicContact CB-CD2 4.03Å; V216-L220 HydrophobicContact CG1-CD1 4.2Å; V216-L220 HydrophobicContact CG1-CG 4.42Å; V216-L220 WeakPolarHBondContact O-CG 3.22Å; V216-L220 PolarHBondContact O-N 3Å; R217-L220 PolarHBondContact O-N 2.93Å; R217-L220 VanDerWaalsContact O-N 3.17Å; L220-V223 WeakPolarHBondContact O-CB 3.36Å; L220-V223 PolarHBondContact O-N 2.94Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.35Å; L220-L224 PolarHBondContact O-N 2.84Å
221N85.6Confident85.3Confident62 Ų6253.2 Ų53.233%0.33228%0.275SS..Hα-helixtrans-63-43175.6-73.2-25.5000111.5R217 S218 T219 L224 A225R217-N221 PolarHBondContact O-N 2.97Å; R217-N221 PolarHBondContact O-ND2 3.17Å; S218-N221 PolarHBondContact O-N 2.86Å; T219-N221 VanDerWaalsContact C-N 3.35Å; T219-N221 PolarHBondContact O-N 3.29Å; N221-L224 PolarHBondContact O-N 3Å; N221-A225 VanDerWaalsContact O-CB 3.3Å; N221-A225 WeakPolarHBondContact O-CB 3.44Å; N221-A225 PolarHBondContact O-N 2.85Å
222R89.9Confident85.2Confident53 Ų5359.4 Ų59.420%0.232%0.318CS..Hα-helixtrans-65.6-38.4175.2-69.2-177.673.2-160.4-2.3112.1P210 F211 D212 T213 S218 T219 A225 V226 D227P210-R222 PolarHBondContact O-NH2 3.17Å; F211-R222 HydrophobicContact CB-CB 4.34Å; F211-R222 HydrophobicContact CD1-CB 4.07Å; D212-R222 PolarHBondContact O-NH1 2.78Å; T213-R222 VanDerWaalsContact CG2-CD 3.46Å; S218-R222 WeakPolarHBondContact O-CG 3.5Å; S218-R222 PolarHBondContact O-N 3.19Å; T219-R222 PolarHBondContact O-N 2.92Å; R222-A225 CarbonylContact O-C 3.59Å; R222-A225 PolarHBondContact O-N 2.82Å; R222-V226 WeakPolarHBondContact O-CA 3.38Å; R222-V226 PolarHBondContact O-N 3.38Å; R222-D227 HydrophobicContact CB-CB 4.3Å; R222-D227 HydrophobicContact CG-CB 4.39Å; R222-D227 PolarHBondContact NE-O 3.17Å; R222-D227 IonicContact NE-OD2 2.73Å; R222-D227 PolarHBondContact NE-OD2 3.03Å; R222-D227 PolarHBondContact NH2-O 3.18Å; R222-D227 PolarHBondContact O-N 2.98Å
223V89.2Confident85.4Confident0 Ų061.5 Ų61.50%033%0.334CS..Hα-helixtrans-59.9-49.3172.1167.40000110.7I178 P180 A183 W195 F211 T219 L220 A225 V226I178-V223 HydrophobicContact CG2-CG1 4.38Å; I178-V223 HydrophobicContact CG2-CG2 4.46Å; I178-V223 WeakPolarHBondContact O-CG1 3.43Å; P180-V223 HydrophobicContact CG-CG1 4.07Å; A183-V223 HydrophobicContact CB-CG1 4.45Å; W195-V223 HydrophobicContact CZ2-CG1 3.92Å; F211-V223 HydrophobicContact CB-CG2 3.78Å; F211-V223 HydrophobicContact CD1-CG2 4.27Å; F211-V223 HydrophobicContact CD2-CG2 3.66Å; F211-V223 HydrophobicContact CE2-CG2 4.36Å; F211-V223 HydrophobicContact CG-CG2 3.63Å; T219-V223 HydrophobicContact CG2-CG2 4.48Å; T219-V223 VanDerWaalsContact O-CG2 3.31Å; T219-V223 WeakPolarHBondContact O-CG2 3.34Å; T219-V223 PolarHBondContact O-N 3.41Å; L220-V223 WeakPolarHBondContact O-CB 3.36Å; L220-V223 PolarHBondContact O-N 2.94Å; V223-A225 VanDerWaalsContact C-N 3.3Å; V223-A225 PolarHBondContact O-N 2.87Å; V223-V226 PolarHBondContact O-N 3.36Å; V223-V226 VanDerWaalsContact O-N 3.1Å
224L88.8Confident86Confident43 Ų4361.2 Ų61.223%0.22533%0.331CS..Hα-helixtrans-64.3-33.9179.4-70.9171.4000112.8A183 L220 N221 V226A183-L224 HydrophobicContact CB-CD2 4.04Å; A183-L224 HydrophobicContact CB-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.35Å; L220-L224 PolarHBondContact O-N 2.84Å; N221-L224 PolarHBondContact O-N 3Å; L224-V226 VanDerWaalsContact C-N 3.34Å
225A90Very high87Confident69 Ų6953.7 Ų53.757%0.5731%0.306SS*.Hα-helixtrans-82.3-11175.300000113.5N221 R222 V223 D227N221-A225 VanDerWaalsContact O-CB 3.3Å; N221-A225 WeakPolarHBondContact O-CB 3.44Å; N221-A225 PolarHBondContact O-N 2.85Å; R222-A225 CarbonylContact O-C 3.59Å; R222-A225 PolarHBondContact O-N 2.82Å; V223-A225 VanDerWaalsContact C-N 3.3Å; V223-A225 PolarHBondContact O-N 2.87Å; A225-D227 HydrophobicContact CB-CB 4.05Å; A225-D227 PolarHBondContact O-N 2.69Å
226V92Very high88.2Confident36 Ų3654.6 Ų54.622%0.21832%0.324CS..THydrogen-bonded Turntrans51.746.1-169.2-167.90000111W195 R222 V223 L224 Y228 L246 R248W195-V226 HydrophobicContact CH2-CG1 4.37Å; W195-V226 HydrophobicContact CH2-CG2 4.15Å; W195-V226 HydrophobicContact CZ3-CG2 4.42Å; R222-V226 WeakPolarHBondContact O-CA 3.38Å; R222-V226 PolarHBondContact O-N 3.38Å; V223-V226 PolarHBondContact O-N 3.36Å; V223-V226 VanDerWaalsContact O-N 3.1Å; L224-V226 VanDerWaalsContact C-N 3.34Å; V226-Y228 HydrophobicContact CG1-CD1 4.25Å; V226-Y228 HydrophobicContact CG1-CE1 3.84Å; V226-L246 WeakPolarHBondContact CG1-O 3.15Å; V226-R248 HydrophobicContact CG2-CB 3.6Å; V226-R248 HydrophobicContact CG2-CG 4.07Å
227D92.2Very high89.2Confident81 Ų8155 Ų5543%0.43332%0.323SS..  trans-99.395.6-175.4172.333.8000111.4F211 R222 A225F211-D227 WeakPolarHBondContact CD1-O 3.47Å; R222-D227 HydrophobicContact CB-CB 4.3Å; R222-D227 HydrophobicContact CG-CB 4.39Å; R222-D227 PolarHBondContact NE-O 3.17Å; R222-D227 IonicContact NE-OD2 2.73Å; R222-D227 PolarHBondContact NE-OD2 3.03Å; R222-D227 PolarHBondContact NH2-O 3.18Å; R222-D227 PolarHBondContact O-N 2.98Å; A225-D227 HydrophobicContact CB-CB 4.05Å; A225-D227 PolarHBondContact O-N 2.69Å
228Y93.5Very high90.5Very high30 Ų3053.6 Ų53.612%0.11832%0.318CS..  trans-142155.417568.2-81.8000111.1Y202 P210 F211 V226 L230 I242 N243 L246Y202-Y228 HydrophobicContact CD2-CD2 4.36Å; Y202-Y228 HydrophobicContact CE2-CD2 4.05Å; P210-Y228 HydrophobicContact CB-CD2 4.35Å; P210-Y228 HydrophobicContact CB-CG 4.16Å; F211-Y228 AromaticContact CE1-CD1 3.61Å; F211-Y228 HydrophobicContact CE1-CD1 3.61Å; F211-Y228 HydrophobicContact CE1-CG 4.11Å; F211-Y228 AromaticContact CZ-CD1 3.7Å; F211-Y228 HydrophobicContact CZ-CD1 3.7Å; F211-Y228 HydrophobicContact CZ-CE1 4.38Å; F211-Y228 HydrophobicContact CZ-CG 4.29Å; V226-Y228 HydrophobicContact CG1-CD1 4.25Å; V226-Y228 HydrophobicContact CG1-CE1 3.84Å; Y228-L230 HydrophobicContact CD2-CD2 4.41Å; Y228-L230 HydrophobicContact CD2-CG 4.39Å; Y228-L230 HydrophobicContact CE2-CD1 4.39Å; Y228-L230 HydrophobicContact CE2-CD2 3.89Å; Y228-L230 HydrophobicContact CE2-CG 3.92Å; Y228-I242 HydrophobicContact CE2-CG2 3.65Å; Y228-N243 WeakPolarHBondContact OH-CA 3.4Å; Y228-N243 PolarHBondContact OH-OD1 3.14Å; Y228-L246 HydrophobicContact CD1-CD1 4.34Å; Y228-L246 HydrophobicContact CD2-CD1 4.49Å; Y228-L246 HydrophobicContact CE1-CB 3.95Å; Y228-L246 HydrophobicContact CE1-CD1 3.95Å; Y228-L246 HydrophobicContact CE2-CD1 4.12Å
229E92.7Very high91.4Very high152 Ų15252.6 Ų52.671%0.7131%0.311SS*.  trans-106.9137-179-65.8178.3179.500110.7Y202Y202-E229 VanDerWaalsContact CE2-O 3.3Å; Y202-E229 WeakPolarHBondContact CE2-O 3.28Å; Y202-E229 PolarHBondContact OH-O 2.68Å
230L94Very high92.2Very high55 Ų5556.2 Ų56.229%0.28833%0.331SS..  trans-97.7119.9172.8-70.8169.8000109.5Y202 Y228 L234 A239 I242 N243Y202-L230 HydrophobicContact CD2-CD2 4.29Å; Y202-L230 HydrophobicContact CE2-CD2 4.16Å; Y228-L230 HydrophobicContact CD2-CD2 4.41Å; Y228-L230 HydrophobicContact CD2-CG 4.39Å; Y228-L230 HydrophobicContact CE2-CD1 4.39Å; Y228-L230 HydrophobicContact CE2-CD2 3.89Å; Y228-L230 HydrophobicContact CE2-CG 3.92Å; L230-L234 HydrophobicContact CD2-CD1 3.87Å; L230-A239 HydrophobicContact CD1-CB 4.02Å; L230-I242 HydrophobicContact CD2-CB 4.23Å; L230-I242 HydrophobicContact CD2-CD1 3.92Å; L230-I242 HydrophobicContact CD2-CG2 3.95Å; L230-N243 WeakPolarHBondContact CD1-ND2 3.18Å
231P91.9Very high92.9Very high45 Ų4555.5 Ų55.529%0.29233%0.327SS..  trans-59.3139.1173-23.733.2000111.7V206 T233 L234V206-P231 HydrophobicContact CG1-CG 3.91Å; V206-P231 HydrophobicContact CG2-CG 4.03Å; P231-T233 PolarHBondContact O-N 2.91Å; P231-L234 HydrophobicContact CB-CG 4.43Å; P231-L234 WeakPolarHBondContact O-CG 3.26Å; P231-L234 PolarHBondContact O-N 3.2Å; P231-L234 VanDerWaalsContact O-N 3.16Å
232S90.2Very high93.4Very high129 Ų12952.6 Ų52.690%0.90231%0.311SS*.THydrogen-bonded Turntrans-64.2-10176.155.90000114.1L234S232-L234 VanDerWaalsContact C-N 3.32Å
233T91.5Very high93.8Very high122 Ų12253 Ų5375%0.74832%0.317SS*.THydrogen-bonded Turntrans-79.1-11.8176.755.70000113.7P231P231-T233 PolarHBondContact O-N 2.91Å
234L93.7Very high94.1Very high26 Ų2654.1 Ų54.114%0.13633%0.325CS..SBendtrans-77147.6179.3-62.2-177.5000111.3I205 V206 L230 P231 S232 I242I205-L234 HydrophobicContact CB-CD2 4.4Å; I205-L234 HydrophobicContact CD1-CD1 4.26Å; I205-L234 HydrophobicContact CD1-CD2 3.63Å; I205-L234 HydrophobicContact CG1-CD2 3.85Å; V206-L234 HydrophobicContact CG2-CD1 4.27Å; V206-L234 HydrophobicContact CG2-CD2 4.42Å; L230-L234 HydrophobicContact CD2-CD1 3.87Å; P231-L234 HydrophobicContact CB-CG 4.43Å; P231-L234 WeakPolarHBondContact O-CG 3.26Å; P231-L234 PolarHBondContact O-N 3.2Å; P231-L234 VanDerWaalsContact O-N 3.16Å; S232-L234 VanDerWaalsContact C-N 3.32Å; L234-I242 HydrophobicContact CD1-CD1 4.13Å
235S95.6Very high94.5Very high24 Ų2452 Ų5217%0.16832%0.315CS..  trans-65.1151.2170103.90000110.9E111 E237 A238 A239E111-S235 WeakPolarHBondContact OE1-CB 3.47Å; E111-S235 PolarHBondContact OE1-N 3.44Å; E111-S235 WeakPolarHBondContact OE2-CB 3.28Å; E111-S235 PolarHBondContact OE2-OG 3.08Å; S235-E237 VanDerWaalsContact CB-OE2 3.24Å; S235-E237 WeakPolarHBondContact CB-OE2 3.07Å; S235-E237 PolarHBondContact O-N 2.94Å; S235-E237 PolarHBondContact OG-N 3.36Å; S235-E237 PolarHBondContact OG-OE2 3.15Å; S235-A238 PolarHBondContact O-N 2.95Å; S235-A238 VanDerWaalsContact O-N 3.08Å; S235-A238 PolarHBondContact OG-N 3.11Å; S235-A238 VanDerWaalsContact OG-N 3.1Å; S235-A239 PolarHBondContact O-N 3.3Å
236A95.5Very high94.8Very high80 Ų8048.9 Ų48.966%0.66129%0.288SS*.Hα-helixtrans-55.9-38.6176.200000111.4D240A236-D240 VanDerWaalsContact O-CB 3.24Å; A236-D240 WeakPolarHBondContact O-CB 3.47Å; A236-D240 PolarHBondContact O-N 3.07Å
237E95.8Very high95Very high60 Ų6052.5 Ų52.528%0.2830%0.298SS..Hα-helixtrans-69.5-35.2178.2-48.194.9132.600112.7S235 L241 H262 P263 F264 K267S235-E237 VanDerWaalsContact CB-OE2 3.24Å; S235-E237 WeakPolarHBondContact CB-OE2 3.07Å; S235-E237 PolarHBondContact O-N 2.94Å; S235-E237 PolarHBondContact OG-N 3.36Å; S235-E237 PolarHBondContact OG-OE2 3.15Å; E237-L241 WeakPolarHBondContact O-CB 3.39Å; E237-L241 PolarHBondContact O-N 2.85Å; E237-H262 PolarHBondContact O-CE1 3.33Å; E237-P263 HydrophobicContact CG-CB 4.4Å; E237-F264 HydrophobicContact CB-CB 3.97Å; E237-F264 HydrophobicContact CB-CD2 4.32Å; E237-K267 IonicContact OE1-NZ 3.29Å; E237-K267 PolarHBondContact OE1-NZ 3.46Å; E237-K267 IonicContact OE2-NZ 3.79Å
238A96.8Very high94.9Very high0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-69.1-45.2175.700000111.2F201 I205 S235 L241 I242 F264F201-A238 HydrophobicContact CZ-CB 4.26Å; I205-A238 HydrophobicContact CD1-CB 4.31Å; S235-A238 PolarHBondContact O-N 2.95Å; S235-A238 VanDerWaalsContact O-N 3.08Å; S235-A238 PolarHBondContact OG-N 3.11Å; S235-A238 VanDerWaalsContact OG-N 3.1Å; A238-L241 PolarHBondContact O-N 3.24Å; A238-I242 WeakPolarHBondContact O-CG1 3.27Å; A238-I242 PolarHBondContact O-N 3.38Å; A238-F264 HydrophobicContact CB-CD2 3.81Å; A238-F264 HydrophobicContact CB-CE2 3.71Å
239A97Very high94.8Very high20 Ų2060 Ų6017%0.16532%0.324CS..Hα-helixtrans-59.5-45174.500000111.9L230 S235 I242 N243L230-A239 HydrophobicContact CD1-CB 4.02Å; S235-A239 PolarHBondContact O-N 3.3Å; A239-I242 PolarHBondContact O-N 2.93Å; A239-N243 WeakPolarHBondContact O-CB 3.42Å; A239-N243 PolarHBondContact O-N 2.8Å; A239-N243 PolarHBondContact O-ND2 2.84Å; A239-N243 VanDerWaalsContact O-ND2 3.08Å
240D97Very high94.7Very high79 Ų7953.8 Ų53.842%0.42230%0.297SS..Hα-helixtrans-61.7-42.9177-174.251.7000112.2A236 I242 N243 S244 H262A236-D240 VanDerWaalsContact O-CB 3.24Å; A236-D240 WeakPolarHBondContact O-CB 3.47Å; A236-D240 PolarHBondContact O-N 3.07Å; D240-I242 PolarHBondContact O-N 3.23Å; D240-N243 PolarHBondContact O-N 3.45Å; D240-S244 WeakPolarHBondContact O-CB 3.04Å; D240-S244 PolarHBondContact O-N 2.83Å; D240-S244 PolarHBondContact O-OG 2.61Å; D240-H262 IonicContact OD2-CE1 3.96Å; D240-H262 PolarHBondContact OD2-CE1 3.28Å; D240-H262 IonicContact OD2-NE2 3.57Å; D240-H262 PolarHBondContact OD2-NE2 3.06Å; D240-H262 VanDerWaalsContact OD2-NE2 3.1Å
241L97.5Very high94.6Very high0 Ų057.1 Ų57.10%031%0.311CS..Hα-helixtrans-63.2-44.2175.9-17954.2000111.5L118 F201 E237 A238 S244 L245 L254 I259 H262 F264L118-L241 HydrophobicContact CD2-CD2 4.1Å; F201-L241 HydrophobicContact CD1-CD2 4.13Å; F201-L241 HydrophobicContact CD1-CG 4.24Å; F201-L241 HydrophobicContact CE1-CB 4.08Å; F201-L241 HydrophobicContact CE1-CD2 3.68Å; F201-L241 HydrophobicContact CE1-CG 3.94Å; F201-L241 HydrophobicContact CZ-CD2 4.27Å; E237-L241 WeakPolarHBondContact O-CB 3.39Å; E237-L241 PolarHBondContact O-N 2.85Å; A238-L241 PolarHBondContact O-N 3.24Å; L241-S244 PolarHBondContact O-N 3.24Å; L241-L245 HydrophobicContact CD1-CD1 3.92Å; L241-L245 HydrophobicContact CD1-CG 4.04Å; L241-L245 HydrophobicContact CG-CD1 4Å; L241-L245 VanDerWaalsContact O-CG 3.28Å; L241-L245 WeakPolarHBondContact O-CG 3.16Å; L241-L245 PolarHBondContact O-N 3.43Å; L241-L254 HydrophobicContact CD1-CD2 4.07Å; L241-I259 HydrophobicContact CD1-CG2 4Å; L241-H262 VanDerWaalsContact CB-CE1 3.49Å; L241-H262 WeakPolarHBondContact CB-CE1 3.37Å; L241-H262 HydrophobicContact CD1-CB 4.28Å; L241-H262 PolarHBondContact N-CE1 3.36Å; L241-F264 HydrophobicContact CB-CB 4.32Å; L241-F264 HydrophobicContact CD2-CB 4.07Å; L241-F264 HydrophobicContact CD2-CD1 3.55Å; L241-F264 HydrophobicContact CD2-CE1 4.34Å; L241-F264 HydrophobicContact CD2-CG 4.03Å
242I97.4Very high94.7Very high0 Ų061.1 Ų61.10%033%0.326CS..Hα-helixtrans-60.7-48.2177.9-69.3165.2000110.6F201 Y202 I205 Y228 L230 L234 A238 A239 D240 S244 L245 L246F201-I242 HydrophobicContact CD1-CD1 4.34Å; F201-I242 HydrophobicContact CD1-CG1 3.63Å; F201-I242 HydrophobicContact CE1-CD1 4.26Å; F201-I242 HydrophobicContact CE1-CG1 3.76Å; Y202-I242 HydrophobicContact CD2-CD1 4.13Å; Y202-I242 HydrophobicContact CD2-CG2 4.24Å; I205-I242 HydrophobicContact CD1-CD1 3.79Å; Y228-I242 HydrophobicContact CE2-CG2 3.65Å; L230-I242 HydrophobicContact CD2-CB 4.23Å; L230-I242 HydrophobicContact CD2-CD1 3.92Å; L230-I242 HydrophobicContact CD2-CG2 3.95Å; L234-I242 HydrophobicContact CD1-CD1 4.13Å; A238-I242 WeakPolarHBondContact O-CG1 3.27Å; A238-I242 PolarHBondContact O-N 3.38Å; A239-I242 PolarHBondContact O-N 2.93Å; D240-I242 PolarHBondContact O-N 3.23Å; I242-S244 PolarHBondContact O-N 3.49Å; I242-L245 PolarHBondContact O-N 2.82Å; I242-L245 VanDerWaalsContact O-N 3.12Å; I242-L246 HydrophobicContact CG2-CD1 3.76Å; I242-L246 HydrophobicContact CG2-CG 4.29Å; I242-L246 PolarHBondContact O-N 3.28Å
243N96.8Very high94.9Very high61 Ų6155.2 Ų55.233%0.32628%0.284SS..Hα-helixtrans-60.9-32.3177.4-77.3-45000113Y228 L230 A239 D240 R247Y228-N243 WeakPolarHBondContact OH-CA 3.4Å; Y228-N243 PolarHBondContact OH-OD1 3.14Å; L230-N243 WeakPolarHBondContact CD1-ND2 3.18Å; A239-N243 WeakPolarHBondContact O-CB 3.42Å; A239-N243 PolarHBondContact O-N 2.8Å; A239-N243 PolarHBondContact O-ND2 2.84Å; A239-N243 VanDerWaalsContact O-ND2 3.08Å; D240-N243 PolarHBondContact O-N 3.45Å; N243-R247 PolarHBondContact O-NE 2.86Å
244S96.8Very high95Very high24 Ų2451.5 Ų51.517%0.16826%0.259CS..Hα-helixtrans-75.7-26.3177.7-63.90000113.2D240 L241 I242 L254D240-S244 WeakPolarHBondContact O-CB 3.04Å; D240-S244 PolarHBondContact O-N 2.83Å; D240-S244 PolarHBondContact O-OG 2.61Å; L241-S244 PolarHBondContact O-N 3.24Å; I242-S244 PolarHBondContact O-N 3.49Å; S244-L254 PolarHBondContact O-N 3.39Å
245L96.8Very high95Very high0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-89-39.2178.2-64.8172.6000112.7V194 L241 I242 R247 R253 L254 I259V194-L245 HydrophobicContact CG1-CD2 3.71Å; L241-L245 HydrophobicContact CD1-CD1 3.92Å; L241-L245 HydrophobicContact CD1-CG 4.04Å; L241-L245 HydrophobicContact CG-CD1 4Å; L241-L245 VanDerWaalsContact O-CG 3.28Å; L241-L245 WeakPolarHBondContact O-CG 3.16Å; L241-L245 PolarHBondContact O-N 3.43Å; I242-L245 PolarHBondContact O-N 2.82Å; I242-L245 VanDerWaalsContact O-N 3.12Å; L245-R247 VanDerWaalsContact C-N 3.27Å; L245-R247 PolarHBondContact O-N 2.84Å; L245-R253 WeakPolarHBondContact O-CG 3.48Å; L245-L254 HydrophobicContact CD2-CB 4.34Å; L245-I259 HydrophobicContact CD2-CD1 3.48Å; L245-I259 VanDerWaalsContact CD2-CD1 3.48Å; L245-I259 HydrophobicContact CD2-CG1 3.93Å
246L96.5Very high94.8Very high2 Ų253.7 Ų53.71%0.0127%0.265CS..SBendtrans-90.649.1-176.8-60.6-176.3000112.2W195 P210 F211 V226 Y228 I242W195-L246 HydrophobicContact CD2-CD2 3.84Å; W195-L246 HydrophobicContact CE3-CB 4.45Å; W195-L246 HydrophobicContact CE3-CD2 3.96Å; W195-L246 HydrophobicContact CG-CD2 4.34Å; W195-L246 HydrophobicContact CH2-CB 4.47Å; W195-L246 HydrophobicContact CH2-CD2 4.45Å; W195-L246 HydrophobicContact CZ2-CD2 4.34Å; W195-L246 HydrophobicContact CZ3-CB 4.12Å; W195-L246 HydrophobicContact CZ3-CD2 4.26Å; P210-L246 HydrophobicContact CB-CD1 4.42Å; P210-L246 HydrophobicContact CG-CD1 4.27Å; F211-L246 HydrophobicContact CE2-CD1 4.34Å; F211-L246 HydrophobicContact CZ-CD1 4.28Å; V226-L246 WeakPolarHBondContact CG1-O 3.15Å; Y228-L246 HydrophobicContact CD1-CD1 4.34Å; Y228-L246 HydrophobicContact CD2-CD1 4.49Å; Y228-L246 HydrophobicContact CE1-CB 3.95Å; Y228-L246 HydrophobicContact CE1-CD1 3.95Å; Y228-L246 HydrophobicContact CE2-CD1 4.12Å; I242-L246 HydrophobicContact CG2-CD1 3.76Å; I242-L246 HydrophobicContact CG2-CG 4.29Å; I242-L246 PolarHBondContact O-N 3.28Å
247R95.2Very high94.7Very high113 Ų11357.7 Ų57.743%0.42627%0.267SS..  trans-84.4139.9172.1-65.2-70.3177.7167.80.3111W195 N243 L245 E252 R253W195-R247 WeakPolarHBondContact CZ3-O 3.46Å; N243-R247 PolarHBondContact O-NE 2.86Å; L245-R247 VanDerWaalsContact C-N 3.27Å; L245-R247 PolarHBondContact O-N 2.84Å; R247-E252 HydrophobicContact CB-CB 4.03Å; R247-E252 HydrophobicContact CG-CB 4.26Å; R247-R253 HydrophobicContact CB-CG 3.85Å; R247-R253 PolarHBondContact O-NE 3.36Å; R247-R253 PolarHBondContact O-NH2 3.02Å
248R91.5Very high94.6Very high170 Ų17056.6 Ų56.664%0.64227%0.268SS*.SBendtrans-57-56.4-179.6-174174.9171.7-179.4-2.3110.6P180 V226 P250 R253P180-R248 HydrophobicContact CB-CG 4.49Å; V226-R248 HydrophobicContact CG2-CB 3.6Å; V226-R248 HydrophobicContact CG2-CG 4.07Å; R248-P250 WeakPolarHBondContact O-CD 3.35Å; R248-R253 PolarHBondContact O-NH2 3.38Å; R248-R253 VanDerWaalsContact O-NH2 3.11Å
249E90.7Very high94.5Very high99 Ų9956.6 Ų56.646%0.46327%0.268SS..SBendtrans-75.9123.5-179.5-175.952.9-137.600110Q251 E252E249-Q251 HydrophobicContact CG-CB 4.42Å; E249-Q251 PolarHBondContact O-N 2.8Å; E249-Q251 VanDerWaalsContact O-N 3.15Å; E249-E252 HydrophobicContact CB-CB 4.37Å; E249-E252 HydrophobicContact CB-CG 3.97Å; E249-E252 HydrophobicContact CG-CG 4.24Å; E249-E252 PolarHBondContact O-N 2.98Å; E249-E252 VanDerWaalsContact O-N 3.1Å
250P91.4Very high94.2Very high20 Ų2059.2 Ų59.213%0.1328%0.279CS..G310 helixtrans-52.2-37179.6-30.435.9000114E181 E191 R248 E252 R253E181-P250 HydrophobicContact CB-CG 4.09Å; E181-P250 HydrophobicContact CG-CG 3.95Å; E191-P250 HydrophobicContact CB-CB 3.81Å; E191-P250 HydrophobicContact CG-CB 4.15Å; E191-P250 WeakPolarHBondContact CG-O 3.44Å; R248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-E252 VanDerWaalsContact C-N 3.31Å; P250-E252 PolarHBondContact O-N 3.19Å; P250-R253 WeakPolarHBondContact O-CB 3.41Å; P250-R253 PolarHBondContact O-N 3.35Å
251Q91Very high94Very high125 Ų12562.4 Ų62.458%0.58429%0.291SS*.G310 helixtrans-72.3-22.9-177.1-56.3-54.7-15.100114.2E249 R253E249-Q251 HydrophobicContact CG-CB 4.42Å; E249-Q251 PolarHBondContact O-N 2.8Å; E249-Q251 VanDerWaalsContact O-N 3.15Å; Q251-R253 VanDerWaalsContact C-N 3.34Å
252E93Very high93.9Very high130 Ų13063 Ų6361%0.60729%0.294SS*.G310 helixtrans-83.1-12.3177.2-64.9-176.9170.500112.9R247 E249 P250R247-E252 HydrophobicContact CB-CB 4.03Å; R247-E252 HydrophobicContact CG-CB 4.26Å; E249-E252 HydrophobicContact CB-CB 4.37Å; E249-E252 HydrophobicContact CB-CG 3.97Å; E249-E252 HydrophobicContact CG-CG 4.24Å; E249-E252 PolarHBondContact O-N 2.98Å; E249-E252 VanDerWaalsContact O-N 3.1Å; P250-E252 VanDerWaalsContact C-N 3.31Å; P250-E252 PolarHBondContact O-N 3.19Å
253R95.3Very high93.8Very high5 Ų566.6 Ų66.62%0.01932%0.317CS..SBendtrans-67.8140.9178.8-62.9179.7-166.2144.614.1110.7E181 E191 V194 L245 R247 R248 P250 Q251 K255E181-R253 IonicContact OE1-CZ 3.1Å; E181-R253 IonicContact OE1-NH1 3.43Å; E181-R253 PolarHBondContact OE1-NH1 3.49Å; E181-R253 IonicContact OE1-NH2 3.91Å; E181-R253 IonicContact OE2-CZ 3.29Å; E181-R253 IonicContact OE2-NH1 2.66Å; E181-R253 PolarHBondContact OE2-NH1 3.16Å; E181-R253 IonicContact OE2-NH2 3.99Å; E181-R253 PolarHBondContact OE2-NH2 3.41Å; E191-R253 PolarHBondContact O-NH1 3.28Å; V194-R253 HydrophobicContact CG1-CB 4.4Å; L245-R253 WeakPolarHBondContact O-CG 3.48Å; R247-R253 HydrophobicContact CB-CG 3.85Å; R247-R253 PolarHBondContact O-NE 3.36Å; R247-R253 PolarHBondContact O-NH2 3.02Å; R248-R253 PolarHBondContact O-NH2 3.38Å; R248-R253 VanDerWaalsContact O-NH2 3.11Å; P250-R253 WeakPolarHBondContact O-CB 3.41Å; P250-R253 PolarHBondContact O-N 3.35Å; Q251-R253 VanDerWaalsContact C-N 3.34Å; R253-K255 PolarHBondContact O-N 3.41Å; R253-K255 VanDerWaalsContact O-N 3.09Å
254L94.6Very high93.8Very high43 Ų4363.7 Ų63.723%0.22530%0.301CS..  trans-58.9115.7173.7-170.565.8000110.3V194 L241 S244 L245 A258 I259V194-L254 WeakPolarHBondContact CG1-O 3.45Å; L241-L254 HydrophobicContact CD1-CD2 4.07Å; S244-L254 PolarHBondContact O-N 3.39Å; L245-L254 HydrophobicContact CD2-CB 4.34Å; L254-A258 HydrophobicContact CD1-CB 3.58Å; L254-A258 HydrophobicContact CG-CB 4.05Å; L254-I259 HydrophobicContact CD2-CB 4.45Å; L254-I259 HydrophobicContact CD2-CG1 3.97Å; L254-I259 HydrophobicContact CG-CG1 4.08Å
255K92.7Very high93.7Very high88 Ų8863.7 Ų63.738%0.38330%0.299SS..  trans-63146-179.3-58-62.5-172.2-173.30110.6E191 R253 K257 A258 I259E191-K255 IonicContact OE1-NZ 2.69Å; E191-K255 PolarHBondContact OE1-NZ 3.04Å; R253-K255 PolarHBondContact O-N 3.41Å; R253-K255 VanDerWaalsContact O-N 3.09Å; K255-K257 VanDerWaalsContact C-N 3.26Å; K255-K257 PolarHBondContact O-N 2.93Å; K255-A258 WeakPolarHBondContact O-CA 3.43Å; K255-A258 WeakPolarHBondContact O-CB 3.41Å; K255-A258 PolarHBondContact O-N 2.48Å; K255-I259 PolarHBondContact O-N 3.42Å
256L92Very high93.5Very high9 Ų969.4 Ų69.45%0.04733%0.329CS..Hα-helixtrans-48.2-43-175.5-75.7-178.8000114.6L125 L126 H129 V194 L197 A258 I259L125-L256 HydrophobicContact CB-CD1 3.61Å; L125-L256 HydrophobicContact CB-CD2 4.33Å; L125-L256 HydrophobicContact CD1-CD2 4.16Å; L126-L256 HydrophobicContact CD2-CB 3.77Å; L126-L256 HydrophobicContact CD2-CD1 4.38Å; L126-L256 HydrophobicContact CG-CB 4.25Å; H129-L256 WeakPolarHBondContact ND1-CD1 3.17Å; V194-L256 HydrophobicContact CG2-CD2 3.96Å; V194-L256 HydrophobicContact CG2-CG 3.88Å; L197-L256 HydrophobicContact CD2-CD2 3.94Å; L256-A258 VanDerWaalsContact C-N 3.27Å; L256-A258 PolarHBondContact O-N 2.86Å; L256-I259 HydrophobicContact CD2-CD1 3.77Å; L256-I259 WeakPolarHBondContact O-CB 3.43Å; L256-I259 PolarHBondContact O-N 2.73Å
257K92.1Very high93.1Very high164 Ų16473.6 Ų73.671%0.71335%0.347SS*.Hα-helixtrans-61.4-35.1179.3-68.4-176.5178.8178.30112.6L126 K255L126-K257 HydrophobicContact CD2-CG 3.67Å; K255-K257 VanDerWaalsContact C-N 3.26Å; K255-K257 PolarHBondContact O-N 2.93Å
258A94.2Very high91.9Very high36 Ų3677.6 Ų77.630%0.29837%0.368SS..Hα-helixtrans-78-25.1-179.600000112.5L254 K255 L256 I260 Q261 H262L254-A258 HydrophobicContact CD1-CB 3.58Å; L254-A258 HydrophobicContact CG-CB 4.05Å; K255-A258 WeakPolarHBondContact O-CA 3.43Å; K255-A258 WeakPolarHBondContact O-CB 3.41Å; K255-A258 PolarHBondContact O-N 2.48Å; L256-A258 VanDerWaalsContact C-N 3.27Å; L256-A258 PolarHBondContact O-N 2.86Å; A258-I260 VanDerWaalsContact C-N 3.28Å; A258-I260 PolarHBondContact O-N 2.74Å; A258-Q261 PolarHBondContact O-N 2.84Å; A258-H262 PolarHBondContact O-N 2.77Å
259I94.5Very high90.5Very high0 Ų073 Ų730%036%0.362CS..Hα-helixtrans-58.3-40.7179.1-55.7174.3000111.4I122 L197 L241 L245 L254 K255 L256 Q261 H262 M265I122-I259 HydrophobicContact CD1-CB 4.03Å; I122-I259 HydrophobicContact CD1-CG2 3.44Å; I122-I259 VanDerWaalsContact CD1-CG2 3.44Å; I122-I259 HydrophobicContact CG1-CG2 4.4Å; L197-I259 HydrophobicContact CD2-CD1 3.83Å; L241-I259 HydrophobicContact CD1-CG2 4Å; L245-I259 HydrophobicContact CD2-CD1 3.48Å; L245-I259 VanDerWaalsContact CD2-CD1 3.48Å; L245-I259 HydrophobicContact CD2-CG1 3.93Å; L254-I259 HydrophobicContact CD2-CB 4.45Å; L254-I259 HydrophobicContact CD2-CG1 3.97Å; L254-I259 HydrophobicContact CG-CG1 4.08Å; K255-I259 PolarHBondContact O-N 3.42Å; L256-I259 HydrophobicContact CD2-CD1 3.77Å; L256-I259 WeakPolarHBondContact O-CB 3.43Å; L256-I259 PolarHBondContact O-N 2.73Å; I259-Q261 PolarHBondContact O-N 2.9Å; I259-H262 WeakPolarHBondContact O-CB 3.35Å; I259-H262 PolarHBondContact O-N 2.88Å; I259-M265 HydrophobicContact CG2-CG 4.38Å; I259-M265 WeakPolarHBondContact O-CG 3.41Å
260I91Very high88.8Confident76 Ų7678.4 Ų78.439%0.3938%0.378SS..THydrogen-bonded Turntrans-61.6-27.7-179.9-62.9175.7000111.8I122 L126 A258I122-I260 HydrophobicContact CG2-CD1 3.85Å; I122-I260 HydrophobicContact CG2-CG1 3.77Å; L126-I260 HydrophobicContact CD1-CD1 3.91Å; A258-I260 VanDerWaalsContact C-N 3.28Å; A258-I260 PolarHBondContact O-N 2.74Å
261Q92.9Very high86.3Confident145 Ų14583.1 Ų83.168%0.67841%0.408SS*.THydrogen-bonded Turntrans-90.7-2.8179.4-60.2178.4-3.400112.8A258 I259 L266A258-Q261 PolarHBondContact O-N 2.84Å; I259-Q261 PolarHBondContact O-N 2.9Å; Q261-L266 VanDerWaalsContact O-CD1 3.29Å; Q261-L266 WeakPolarHBondContact O-CD1 3.45Å
262H96.2Very high83.9Confident13 Ų1385.9 Ų85.96%0.0642%0.421CS..SBendtrans-63.8141.6-179.9-167.3-88.8000111.2E237 D240 L241 A258 I259 F264 M265 L266E237-H262 PolarHBondContact O-CE1 3.33Å; D240-H262 IonicContact OD2-CE1 3.96Å; D240-H262 PolarHBondContact OD2-CE1 3.28Å; D240-H262 IonicContact OD2-NE2 3.57Å; D240-H262 PolarHBondContact OD2-NE2 3.06Å; D240-H262 VanDerWaalsContact OD2-NE2 3.1Å; L241-H262 VanDerWaalsContact CB-CE1 3.49Å; L241-H262 WeakPolarHBondContact CB-CE1 3.37Å; L241-H262 HydrophobicContact CD1-CB 4.28Å; L241-H262 PolarHBondContact N-CE1 3.36Å; A258-H262 PolarHBondContact O-N 2.77Å; I259-H262 WeakPolarHBondContact O-CB 3.35Å; I259-H262 PolarHBondContact O-N 2.88Å; H262-F264 WeakPolarHBondContact ND1-CB 3.5Å; H262-F264 PolarHBondContact ND1-N 3.27Å; H262-F264 PolarHBondContact O-N 2.76Å; H262-F264 VanDerWaalsContact O-N 3.09Å; H262-M265 HydrophobicContact CB-CG 4.45Å; H262-M265 WeakPolarHBondContact O-CA 3.29Å; H262-M265 WeakPolarHBondContact O-CB 3.34Å; H262-M265 PolarHBondContact O-N 2.79Å; H262-L266 PolarHBondContact O-N 2.85Å; H262-L266 VanDerWaalsContact O-N 3.14Å
263P95.6Very high81.1Confident75 Ų7591 Ų9149%0.48744%0.435SS..Hα-helixtrans-49.8-39.4179.4-30.735.9000114.1E237 M265 L266 K267E237-P263 HydrophobicContact CG-CB 4.4Å; P263-M265 VanDerWaalsContact C-N 3.31Å; P263-M265 PolarHBondContact O-N 2.75Å; P263-L266 PolarHBondContact O-N 3.47Å; P263-K267 PolarHBondContact O-N 3Å
264F96Very high78.1Confident0 Ų099.7 Ų99.70%048%0.475CS..Hα-helixtrans-55.1-43.4173.3-179.2-97.5000112.8E111 R115 F201 E237 A238 L241 H262E111-F264 HydrophobicContact CB-CE2 3.92Å; E111-F264 HydrophobicContact CB-CZ 4.06Å; E111-F264 HydrophobicContact CG-CE2 4.13Å; R115-F264 HydrophobicContact CB-CE1 3.96Å; R115-F264 HydrophobicContact CB-CZ 4.3Å; R115-F264 HydrophobicContact CG-CE1 4.32Å; R115-F264 PolarHBondContact NE-O 3.47Å; R115-F264 PolarHBondContact NH2-O 3.19Å; F201-F264 HydrophobicContact CE1-CE1 4.4Å; F201-F264 AromaticContact CE2-CE1 3.77Å; F201-F264 HydrophobicContact CE2-CE1 3.77Å; F201-F264 AromaticContact CE2-CZ 3.7Å; F201-F264 HydrophobicContact CE2-CZ 3.7Å; F201-F264 HydrophobicContact CZ-CD1 4.03Å; F201-F264 HydrophobicContact CZ-CD2 4.43Å; F201-F264 AromaticContact CZ-CE1 3.47Å; F201-F264 HydrophobicContact CZ-CE1 3.47Å; F201-F264 VanDerWaalsContact CZ-CE1 3.47Å; F201-F264 AromaticContact CZ-CE2 3.93Å; F201-F264 HydrophobicContact CZ-CE2 3.93Å; F201-F264 HydrophobicContact CZ-CG 4.48Å; F201-F264 AromaticContact CZ-CZ 3.43Å; F201-F264 HydrophobicContact CZ-CZ 3.43Å; F201-F264 VanDerWaalsContact CZ-CZ 3.43Å; E237-F264 HydrophobicContact CB-CB 3.97Å; E237-F264 HydrophobicContact CB-CD2 4.32Å; A238-F264 HydrophobicContact CB-CD2 3.81Å; A238-F264 HydrophobicContact CB-CE2 3.71Å; L241-F264 HydrophobicContact CB-CB 4.32Å; L241-F264 HydrophobicContact CD2-CB 4.07Å; L241-F264 HydrophobicContact CD2-CD1 3.55Å; L241-F264 HydrophobicContact CD2-CE1 4.34Å; L241-F264 HydrophobicContact CD2-CG 4.03Å; H262-F264 WeakPolarHBondContact ND1-CB 3.5Å; H262-F264 PolarHBondContact ND1-N 3.27Å; H262-F264 PolarHBondContact O-N 2.76Å; H262-F264 VanDerWaalsContact O-N 3.09Å
265M95.4Very high75Confident25 Ų25106.2 Ų106.212%0.12351%0.507CS..Hα-helixtrans-77.6-27.8-177.4-65.8-58-68.500113R115 L118 K119 I122 I259 H262 P263 K267R115-M265 HydrophobicContact CG-CE 4.11Å; R115-M265 HydrophobicContact CG-SD 3.9Å; L118-M265 HydrophobicContact CB-CE 4.15Å; L118-M265 HydrophobicContact CB-SD 4.18Å; L118-M265 HydrophobicContact CD2-SD 4.35Å; K119-M265 HydrophobicContact CB-CE 3.97Å; I122-M265 HydrophobicContact CD1-CE 4.15Å; I259-M265 HydrophobicContact CG2-CG 4.38Å; I259-M265 WeakPolarHBondContact O-CG 3.41Å; H262-M265 HydrophobicContact CB-CG 4.45Å; H262-M265 WeakPolarHBondContact O-CA 3.29Å; H262-M265 WeakPolarHBondContact O-CB 3.34Å; H262-M265 PolarHBondContact O-N 2.79Å; P263-M265 VanDerWaalsContact C-N 3.31Å; P263-M265 PolarHBondContact O-N 2.75Å; M265-K267 VanDerWaalsContact C-N 3.34Å
266L92.6Very high72.2Confident119 Ų119110.7 Ų110.762%0.62353%0.526SS*.Hα-helixtrans-79.9-14.5-179.9-63.7179.4000113.6Q261 H262 P263 K268Q261-L266 VanDerWaalsContact O-CD1 3.29Å; Q261-L266 WeakPolarHBondContact O-CD1 3.45Å; H262-L266 PolarHBondContact O-N 2.85Å; H262-L266 VanDerWaalsContact O-N 3.14Å; P263-L266 PolarHBondContact O-N 3.47Å; L266-K268 PolarHBondContact O-N 3.36Å
267K86.2Confident69.2Low91 Ų91116.9 Ų116.940%0.39657%0.565SS.*SBendtrans-61.8122.1-179.7-160.2166.2-170161.40110.6E237 P263 M265 S269E237-K267 IonicContact OE1-NZ 3.29Å; E237-K267 PolarHBondContact OE1-NZ 3.46Å; E237-K267 IonicContact OE2-NZ 3.79Å; P263-K267 PolarHBondContact O-N 3Å; M265-K267 VanDerWaalsContact C-N 3.34Å; K267-S269 PolarHBondContact O-N 2.81Å
268K71.6Confident66.6Low196 Ų196114.1 Ų114.185%0.85257%0.566SS**PPolyproline II helixtrans-62.5123.5177.3-67.3-176.8-179.9179.10109.3L266 R270L266-K268 PolarHBondContact O-N 3.36Å; K268-R270 PolarHBondContact O-N 3.32Å
269S61Low63.6Low74 Ų74120.4 Ų120.452%0.51760%0.595SS.*PPolyproline II helixtrans-55.7131.1169.6-59.90000109.2K267K267-S269 PolarHBondContact O-N 2.81Å
270R55.4Low60.8Low213 Ų213127.7 Ų127.780%0.80463%0.634SS**PPolyproline II helixtrans-61.6127.6170.1-70.5-177.6177.1-1760107.3K268 Q272K268-R270 PolarHBondContact O-N 3.32Å; R270-Q272 PolarHBondContact O-N 3.23Å
271P38Very low58.1Low118 Ų118129.6 Ų129.677%0.76665%0.654SS**PPolyproline II helixtrans-60.1118.1175.322.5-29.7000107.8R273P271-R273 PolarHBondContact O-N 3.05Å
272Q42.3Very low55.3Low184 Ų184126.5 Ų126.586%0.8666%0.66SS**  trans-60115166.8-76.7-154.4-13.600106.7R270 H274R270-Q272 PolarHBondContact O-N 3.23Å; Q272-H274 PolarHBondContact O-N 2.95Å
273R33.7Very low52.3Low238 Ų238133.5 Ų133.590%0.89870%0.697SS**  trans-58.3109.6172.7-77.9179.3166.4168.1-4.7107.1P271 M275P271-R273 PolarHBondContact O-N 3.05Å; R273-M275 VanDerWaalsContact C-N 3.31Å; R273-M275 PolarHBondContact O-N 3.16Å
274H31.7Very low49.2Very low186 Ų186136.9 Ų136.986%0.86171%0.711SS**  trans-5598.4162.2-85-73.6000107.7Q272 K276Q272-H274 PolarHBondContact O-N 2.95Å; H274-K276 PolarHBondContact O-N 2.91Å
275M29.7Very low46.2Very low181 Ų181141.6 Ų141.689%0.89274%0.744SS**  trans-76.198.7170.9-128.517198.100107R273R273-M275 VanDerWaalsContact C-N 3.31Å; R273-M275 PolarHBondContact O-N 3.16Å
276K33.8Very low43Very low181 Ų181147.1 Ų147.179%0.78777%0.772SS**  trans-60142167.4-72.2178.8175.5-179.90108.9H274H274-K276 PolarHBondContact O-N 2.91Å
277T29.8Very low40Very low140 Ų140151 Ų15186%0.85978%0.78SS**  trans-40.5125.8171.651.90000113.6
278S36.5Very low37.1Very low106 Ų106156.1 Ų156.174%0.74180%0.797SS**  trans-153112.2159.245.50000109
279N31.3Very low35Very low167 Ų167152.9 Ų152.989%0.89379%0.794SS**  trans-63.5129.7170.8-56.7-35.8000109.3
280D37.1Very low33.6Very low154 Ų154154.2 Ų154.282%0.82480%0.801SS**  -173.5144.1127.1-145.2-13.3000111.9
281S34.5Very low32.1Very low116 Ų116152.7 Ų152.781%0.81181%0.807SS**  trans-39.7140.9178-39.10000118.1
282G33.7Very low31.5Very low79 Ų79150 Ų15081%0.81480%0.801SS**  trans156.1104.7159.500000115.8
283I32.6Very low30.7Very low161 Ų161151.4 Ų151.483%0.82680%0.8SS**  trans-36125.2168.2-80.2151.7000114.3
284D31.4Very low30.4Very low146 Ų146147.4 Ų147.478%0.78180%0.796SS**  179.7145.7121.7-107.5-27.7000114.4
285S32.8Very low30.1Very low99 Ų99142.9 Ų142.969%0.69279%0.785SS**  trans67.698.1157.769.40000118.7
286I27.6Very low29.8Very low141 Ų141141.2 Ų141.272%0.72378%0.78SS**  80.1112.685.9-71.8172.1000114.6
287Y28.6Very low29.5Very low201 Ų201137.2 Ų137.279%0.78878%0.775SS**  trans82.8115.1163.1-60.6-55.2000122.2
288R27.3Very low29.5Very low197 Ų197137 Ų13774%0.74377%0.768SS**  trans64.7122142.1-67.9-179.2-173.6-116.6-0.6116.1
289T26.8Very low29.2Very low128 Ų128140.8 Ų140.879%0.78577%0.771SS**  cis-172.9-1533418.70000106.4
290P31Very low29Very low102 Ų102137.1 Ų137.166%0.66276%0.758SS**  -118.3172.6-91.738.1-19.6000114.3
291L25Very low28.9Very low181 Ų181137.9 Ų137.995%0.94876%0.757SS**  trans54.4122164.6-92.5108.2000119.3
292G24.4Very low28.8Very low62 Ų62140.2 Ų140.264%0.63975%0.754SS**  trans137.3121.6142.800000116.4
293Y26.2Very low28.7Very low214 Ų214143.8 Ų143.884%0.83975%0.754SS**  trans93.2120.8143-77.6-82.5000120.8
294L27.4Very low28.5Very low153 Ų153147 Ų14780%0.80176%0.756SS**  trans86.8109.6144.7-55.4157.2000115.6
295S24.6Very low28.3Very low91 Ų91149 Ų14964%0.63676%0.758SS**  58.2117.760.9-169.60000114
296N23.9Very low28.1Very low146 Ų146151 Ų15178%0.78177%0.765SS**  trans73.4105.9159.6-62.7-19.5000119.1
297S27.7Very low27.9Very low98 Ų98153 Ų15369%0.68577%0.769SS**  -174.3129.5108.1-104.30000114.5
298L28.7Very low28Very low136 Ų136149.3 Ų149.371%0.71277%0.771SS**  trans68.7141.9135.1-55.7163.3000117.5
299K30.2Very low28Very low184 Ų184146.5 Ų146.580%0.877%0.77SS**  cis178.9140.4-21.1-115.5-179.3-164.4174.40103.2
300S27.8Very low28.2Very low91 Ų91148.4 Ų148.464%0.63677%0.77SS**  trans65118.3145.3-166.10000120.8
301H34.2Very low28.3Very low169 Ų169148.1 Ų148.178%0.78277%0.771SS**  179.5108114.1-92-74.6000107.7
302H32.9Very low28.6Very low165 Ų165146 Ų14676%0.76476%0.761SS**  52.5128.2101.6-88.3-34.4000113.6
303L31.9Very low29Very low154 Ų154148.4 Ų148.481%0.80676%0.763SS**  cis-154.7137.233-8295.6000109.5
304R28.6Very low29.3Very low228 Ų228146.7 Ų146.786%0.8676%0.762SS**  48.6113.997.8-89-174.3-176.2171.93119.8
305K26.3Very low29.7Very low190 Ų190144.7 Ų144.783%0.82676%0.758SS**  trans59.5129.4134.4-83.9179.2169.6179.80120
306V28.5Very low29.9Very low140 Ų140145.5 Ų145.585%0.84876%0.763SS**  168.9148.3104.81640000111
307K24.8Very low30.2Very low183 Ų183145.4 Ų145.480%0.79676%0.762SS**  trans-62.1162.4179-74.2169.5160.5-179.60116.2
308C29.5Very low30.1Very low124 Ų124146.8 Ų146.884%0.83877%0.767SS**  -165.4117.9126.3-81.10000107.3
309N27.8Very low30.3Very low137 Ų137145.2 Ų145.273%0.73377%0.765SS**  49128.491.5-79.516.2000113.2
310E31.4Very low30.3Very low168 Ų168143.3 Ų143.379%0.78576%0.762SS**  -176.5152.659.7-129.9157.5-143.200113.2
311S32.3Very low30.1Very low97 Ų97143.1 Ų143.168%0.67876%0.761SS**  trans67.9138.6147.670.50000119.1
312N31.9Very low29.7Very low137 Ų137142.8 Ų142.873%0.73376%0.763SS**  cis-163.2142.716.9-108-17.9000111.5
313T32.7Very low29.3Very low112 Ų112138.2 Ų138.269%0.68775%0.754SS**  trans52.6142.1139.165.30000121.5
314H32.7Very low28.9Very low177 Ų177138.3 Ų138.382%0.81975%0.753SS**  cis-168.8161.1-21.5-112-65000105.8
315P35.1Very low28.8Very low111 Ų111131.9 Ų131.972%0.72174%0.743SS**  trans-111.5-160.6-15843.9-36000113.5
316C28.6Very low28.7Very low108 Ų108129.6 Ų129.673%0.7374%0.74SS**  trans107137165.1179.10000113.6
317N31.1Very low28.6Very low144 Ų144129.2 Ų129.277%0.7774%0.739SS**  cis-163.6157.9-18.4-95.3-24.9000105.2
318T25.6Very low28.6Very low127 Ų127129.2 Ų129.278%0.77974%0.741SS**  trans-59.9177.4165.246.70000111.3
319P32.9Very low28.3Very low104 Ų104129.4 Ų129.468%0.67574%0.742SS**  cis-156.6-162.430.935.7-7000116.9
320I29.1Very low28Very low144 Ų144129.7 Ų129.774%0.73874%0.744SS**  trans88.894.9153.3-60.5164000118.9
321S23.2Very low27.7Very low87 Ų87128.4 Ų128.461%0.60875%0.748SS**  37.8150.1117.978.20000124.6
322I26.7Very low27.4Very low162 Ų162128.9 Ų128.983%0.83175%0.751SS**  trans83.7140.3154.4-57.2158.1000114.2
323A24.4Very low27.1Very low68 Ų68129.5 Ų129.556%0.56275%0.753SS**  cis-176.7162.5-1900000107.2
324I24Very low26.9Very low156 Ų156129.6 Ų129.680%0.876%0.755SS**  trans60.4111.4145.4-61.4153.9000119.1
325S26.3Very low26.7Very low93 Ų93129.2 Ų129.265%0.6575%0.748SS**  149.6129.6100.548.80000112.1
326D23.8Very low26.3Very low142 Ų142128.1 Ų128.176%0.75973%0.732SS**  trans43.1116.1137.2-53.6-25.8000119.3
327T27.7Very low26.2Very low133 Ų133131.5 Ų131.582%0.81674%0.742SS**  174.1137.6103.633.40000111.2
328Q23.2Very low26Very low183 Ų183127.5 Ų127.586%0.85573%0.728SS**  trans-0.6127156.9-66.5167.4-12.200118.4
329C23.6Very low26Very low127 Ų127126 Ų12686%0.85872%0.723SS**  -176.7149.1123.3-110.60000112
330D22.3Very low25.6Very low144 Ų144126 Ų12677%0.7773%0.732SS**  trans-49.9170.9179.7-60.4-66.4000116.9
331T25.1Very low25.4Very low140 Ų140127.6 Ų127.686%0.85974%0.736SS**  trans112.5130.3167.359.80000113.3
332S26.2Very low25.6Very low107 Ų107129 Ų12975%0.74874%0.744SS**  cis-172.1144.26.836.30000109.1
333I24.9Very low25.5Very low150 Ų150129.3 Ų129.377%0.76975%0.746SS**  trans-68.8133.1175.8-60.1162.9000110.6Y335I333-Y335 PolarHBondContact O-N 3.1Å
334P29.1Very low25.6Very low114 Ų114130.5 Ų130.574%0.7475%0.75SS**  trans-87.387166.4-3.822.8000111.4
335Y28.8Very low25.7Very low170 Ų170131.6 Ų131.667%0.66775%0.752SS**SBendtrans39.381.4143.2-91.3-94.3000119.6I333 A338I333-Y335 PolarHBondContact O-N 3.1Å; Y335-A338 WeakPolarHBondContact CE1-O 3.35Å
336F26.9Very low25.6Very low87 Ų87131.3 Ų131.338%0.38276%0.755SS.*SBendtrans-132.4121.4130.6-92.3-88.9000105.5L539F336-L539 HydrophobicContact CZ-CB 4.43Å
337L25.8Very low25.7Very low180 Ų180130.8 Ų130.894%0.94276%0.756SS**SBendtrans85.281.9-172.3-52.3164.9000116.3
338A26.4Very low25.5Very low59 Ų59129.9 Ų129.949%0.48875%0.751SS.*  trans-17211514200000111.6Y335Y335-A338 WeakPolarHBondContact CE1-O 3.35Å
339S25.1Very low25.5Very low95 Ų95125.6 Ų125.666%0.66474%0.741SS**  trans49.596.915164.10000119.5
340A26.1Very low25.6Very low104 Ų104131.1 Ų131.186%0.8674%0.744SS**  trans-94.391.6130.900000106.6P342A340-P342 WeakPolarHBondContact O-CD 3.44Å
341Q24.1Very low25.7Very low178 Ų178131.7 Ų131.783%0.83275%0.747SS**  trans-66127.6165-79.7-177.2-36.800108.5
342P26.4Very low26Very low118 Ų118129.5 Ų129.577%0.76674%0.735SS**  trans-76.1145.5144.56.513.1000108A340 S344A340-P342 WeakPolarHBondContact O-CD 3.44Å; P342-S344 PolarHBondContact O-N 3.21Å
343L24.8Very low26Very low167 Ų167129.6 Ų129.687%0.87474%0.736SS**SBendtrans-43.4125.9176.6-74.8143.3000113.3
344S26.1Very low26.1Very low93 Ų93129.8 Ų129.865%0.6574%0.737SS**  trans74.3129.3139790000119.7P342P342-S344 PolarHBondContact O-N 3.21Å
345H27.5Very low26Very low180 Ų180131.4 Ų131.483%0.83374%0.739SS**  trans62.696.9159.5-58.9-71.1000116.5
346A24.4Very low26Very low87 Ų87128.8 Ų128.872%0.71974%0.741SS**  97.8143.483.800000111.2
347V25.5Very low26.1Very low130 Ų130133.2 Ų133.279%0.78876%0.762SS**  trans84.286.4165.6-163.20000115.9
348T22.9Very low26.3Very low114 Ų114128.8 Ų128.870%0.69975%0.751SS**  21.8126.7124.1520000119.6
349S23.1Very low26.3Very low93 Ų93133.4 Ų133.465%0.6577%0.768SS**  trans77.7128140.377.40000117.8
350W25.1Very low26.6Very low243 Ų243134.6 Ų134.692%0.9277%0.771SS**  168.1125.3122.2-80.711.6000113
351D24.9Very low26.8Very low157 Ų157138.2 Ų138.284%0.8477%0.77SS**  trans5.7171133.1-125.33.6000121.8
352P31.8Very low26.8Very low94 Ų94140.6 Ų140.661%0.6177%0.771SS**  trans-116.2-169.4-133.126.21.6000111.6
353S25.5Very low26.9Very low108 Ų108141.1 Ų141.176%0.75578%0.775SS**  trans73.6156.5163.577.80000117.8
354I28.2Very low27Very low155 Ų155138.9 Ų138.980%0.79577%0.768SS**  trans95.880.6175.7-48.4171.2000115.4
355N26.9Very low27.2Very low148 Ų148143.9 Ų143.979%0.79178%0.781SS**  29.9152.7112.6-130.81.3000121.7
356V29Very low27.1Very low115 Ų115143.3 Ų143.370%0.69778%0.779SS**  trans109.9104.1152.3-161.70000118.1
357H27.7Very low27.3Very low180 Ų180146.6 Ų146.683%0.83378%0.784SS**  trans15.5135137-75.8-88.5000121.7
358A30.9Very low27.6Very low86 Ų86147 Ų14771%0.71178%0.781SS**  169109.9116.100000108.5
359D27.2Very low28Very low156 Ų156146.9 Ų146.983%0.83478%0.781SS**  68123107.2-88.4-26.9000115.9
360V30.6Very low28.3Very low121 Ų121149.7 Ų149.773%0.73379%0.789SS**  167.5107.7118.1164.10000110.5
361Q29.9Very low28.8Very low179 Ų179142.8 Ų142.884%0.83678%0.775SS**  trans59.9122.8135.8-60.6176.1-18.900122.9
362R23.5Very low29.1Very low228 Ų228142.4 Ų142.486%0.8677%0.773SS**  trans-83.1167.8151.2-64.6-178-159.7-1785.1110.2
363P29.9Very low29Very low130 Ų130146.1 Ų146.184%0.84479%0.786SS**  -136.6149.5109.8174.1000115.5
364T25.9Very low28.9Very low120 Ų120152.3 Ų152.374%0.73679%0.793SS**  trans-69.6143.2166.8-12.10000111.2
365E30.4Very low29Very low197 Ų197153.3 Ų153.392%0.92179%0.794SS**  trans-152.7140.7146.3-116.1173.4-153.800112
366Q25.5Very low29.1Very low168 Ų168152.1 Ų152.179%0.78579%0.792SS**  trans-88.3153.5-172.5-62.1168.6-26.700110.3
367L29.9Very low28.8Very low156 Ų156152.3 Ų152.382%0.81780%0.797SS**  169.8115.7119.6-105.6102.3000112.3
368N29.8Very low28.8Very low138 Ų138155.2 Ų155.274%0.73880%0.803SS**  44.1124.7126-90.3-6.5000123.8
369T31.5Very low28.5Very low112 Ų112156.2 Ų156.269%0.68781%0.805SS**  92.9111.6124.857.30000122.1
370N31Very low28.5Very low153 Ų153157.2 Ų157.282%0.81881%0.81SS**  89.7152126.5-92.9-11.1000121.7
371P35.3Very low28.3Very low98 Ų98154.9 Ų154.964%0.63681%0.81SS**  -126.8-169.2-12836.4-14.9000113.4
372N29.9Very low28Very low149 Ų149151 Ų15180%0.79781%0.808SS**  trans96.7106.1173.3-57.6-47.1000115
373I30.8Very low28.1Very low171 Ų171149.1 Ų149.188%0.87781%0.807SS**  trans-152.4126.7132.4-90.3139.6000107.9
374R24.1Very low27.8Very low239 Ų239152 Ų15290%0.90281%0.809SS**  trans-81.2141.2174-72.8172.3165.1178.5-4.7110.1
375Q30.6Very low27.8Very low175 Ų175155.3 Ų155.382%0.81882%0.816SS**  trans-167.396.5146.1-109170.1-6.900108.8
376T28.3Very low27.5Very low124 Ų124150.8 Ų150.876%0.76181%0.807SS**  74.893.9101.556.80000116.1
377C22.8Very low27.5Very low118 Ų118153.4 Ų153.480%0.79781%0.809SS**  trans19.1123136.7-51.30000121
378Y26.7Very low27.3Very low242 Ų242151 Ų15195%0.94981%0.806SS**  -128122.2126.8-92.9-87.8000108.6
379S24.7Very low27.2Very low107 Ų107149 Ų14975%0.74880%0.798SS**  trans-82.2129.9178.548.70000111.1
380D27.8Very low26.9Very low176 Ų176151 Ų15194%0.94180%0.798SS**  trans-137.6129.8151.5-108.1-28.3000109.1
381G25.4Very low26.6Very low72 Ų72147 Ų14774%0.74278%0.782SS**  trans-91.6162-159.200000115.5
382A24.5Very low26.3Very low97 Ų97150.5 Ų150.580%0.80279%0.789SS**  trans7283.4154.300000117.8
383F26Very low26.1Very low190 Ų190148.7 Ų148.783%0.83378%0.783SS**  trans-153.447.2141.9-129.1-87.6000112.9
384E24.1Very low26Very low191 Ų191144.2 Ų144.289%0.89377%0.768SS**  trans-118.479.3166.2-83.2-162.9143.100110.2
385Q24.5Very low26.2Very low188 Ų188137.8 Ų137.888%0.87975%0.751SS**  trans-170.385.7160.4-108173.534.400109
386S24.8Very low26.3Very low103 Ų103133.7 Ų133.772%0.7274%0.742SS**  trans-16459.8164-72.20000109.9
387R25.2Very low26.5Very low222 Ų222134.4 Ų134.484%0.83874%0.737SS**SBendtrans-79.2123.3154.2-80.5-175.1176.4-168.7-0.5106.3
388S26.5Very low27Very low107 Ų107131.8 Ų131.875%0.74871%0.714SS**SBendtrans72111.7-174.5103.10000113.9
389V26Very low27.4Very low95 Ų95125.3 Ų125.358%0.57669%0.691SS**  trans179.269.5142.9-173.50000106.9R486V389-R486 PolarHBondContact O-NH2 2.78Å
390F25.9Very low28Very low155 Ų155123.9 Ų123.968%0.6867%0.671SS**  trans-158.572.1162-90.8-68.9000108.3L487F390-L487 HydrophobicContact CE1-CD1 4.49Å; F390-L487 HydrophobicContact CE2-CD1 3.33Å; F390-L487 HydrophobicContact CE2-CG 4.19Å; F390-L487 HydrophobicContact CZ-CB 4.24Å; F390-L487 HydrophobicContact CZ-CD1 3.21Å; F390-L487 HydrophobicContact CZ-CG 3.55Å
391S26Very low28.1Very low69 Ų69117.1 Ų117.148%0.48364%0.638SS.*  trans-130.5142.3164.760.70000106.9R104R104-S391 PolarHBondContact NH1-OG 3.31Å
392Q26.9Very low28.4Very low170 Ų170117 Ų11779%0.79462%0.619SS**  trans97.659.9-172.8-55-176.6-12.700114.9
393V26.9Very low28.8Very low111 Ų111115.4 Ų115.467%0.67360%0.597SS**SBend-121.2130.3126.5-179.80000104.4D395 I398V393-D395 PolarHBondContact O-N 3.38Å; V393-I398 HydrophobicContact CG1-CD1 3.91Å
394S28.9Very low29.3Very low78 Ų78109.1 Ų109.155%0.54558%0.577SS.*  trans-42.6107.9-170.343.20000114.1S396S394-S396 PolarHBondContact O-N 2.98Å; S394-S396 VanDerWaalsContact O-N 3.09Å
395D28.7Very low29.8Very low103 Ų103106.4 Ų106.455%0.55156%0.564SS**THydrogen-bonded Turntrans-71.86.9-175.4-106.1-39.5000114.6V393 K399V393-D395 PolarHBondContact O-N 3.38Å; D395-K399 VanDerWaalsContact OD1-CE 3.23Å; D395-K399 WeakPolarHBondContact OD1-CE 3.43Å; D395-K399 IonicContact OD1-NZ 3.74Å; D395-K399 IonicContact OD2-NZ 2.92Å
396S31.7Very low30Very low90 Ų90107.1 Ų107.163%0.62956%0.559SS**THydrogen-bonded Turntrans-101.9-13.2-17249.90000115.9S394S394-S396 PolarHBondContact O-N 2.98Å; S394-S396 VanDerWaalsContact O-N 3.09Å
397E32.5Very low30.2Very low139 Ų139109.4 Ų109.465%0.6556%0.563SS**THydrogen-bonded Turntrans-118.5-9.1174.9-75.7179.7155.700113.7
398I33Very low30.4Very low62 Ų62108.2 Ų108.232%0.31857%0.566SS.*SBendtrans-97.7-11.3-175.6-61.9170.9000112.6V393 M609V393-I398 HydrophobicContact CG1-CD1 3.91Å; I398-M609 HydrophobicContact CD1-SD 4.23Å; I398-M609 HydrophobicContact CG1-SD 4.33Å
399K35Very low30.3Very low107 Ų107111.1 Ų111.147%0.46557%0.573SS.*SBendtrans-90.8-1.3179.2-78.6179.7-178.9166.20115.2D395D395-K399 VanDerWaalsContact OD1-CE 3.23Å; D395-K399 WeakPolarHBondContact OD1-CE 3.43Å; D395-K399 IonicContact OD1-NZ 3.74Å; D395-K399 IonicContact OD2-NZ 2.92Å
400K37.7Very low30.5Very low77 Ų77113 Ų11334%0.33559%0.585SS.*SBendtrans-89.2-9.4-175.7-72.7-171.1176.5-171.50115.9
401S30.8Very low30.7Very low34 Ų34112.1 Ų112.124%0.23859%0.587CS.*SBendtrans-105.26.4-175.894.20000116.2
402L30.1Very low30.7Very low68 Ų68113.6 Ų113.636%0.35660%0.597SS.*SBendtrans-124.87.7-165.3-97.7171.6000117.6K605 Q608L402-K605 HydrophobicContact CD1-CD 4.22Å; L402-K605 HydrophobicContact CD1-CG 3.51Å; L402-Q608 VanDerWaalsContact CD1-OE1 3.23Å
403L34.2Very low30.8Very low64 Ų64111.2 Ų111.234%0.33559%0.594SS.*SBendtrans-118.80.8177.9-72.7111.4000116.6R214 E215R214-L403 HydrophobicContact CB-CD1 3.61Å; R214-L403 HydrophobicContact CB-CD2 3.5Å; R214-L403 HydrophobicContact CB-CG 4.17Å; R214-L403 HydrophobicContact CG-CD2 4.31Å; E215-L403 VanDerWaalsContact CD-CB 3.46Å; E215-L403 HydrophobicContact CG-CB 3.43Å; E215-L403 VanDerWaalsContact CG-CB 3.43Å; E215-L403 HydrophobicContact CG-CD1 3.57Å; E215-L403 HydrophobicContact CG-CD2 3.87Å; E215-L403 HydrophobicContact CG-CG 3.74Å; E215-L403 WeakPolarHBondContact OE1-CB 3.31Å; E215-L403 WeakPolarHBondContact OE1-CD2 3.4Å
404S36.7Very low30.8Very low58 Ų58111.4 Ų111.441%0.40660%0.596SS.*SBendtrans-93-3.7177.163.10000115.5
405H34.2Very low30.7Very low135 Ų135113.7 Ų113.763%0.62561%0.606SS**SBendtrans-99.222.2-173.7-8458.8000115.2
406R28Very low30.6Very low203 Ų203120.1 Ų120.177%0.76662%0.623SS**SBendtrans-126.475.8177.5-159.7175.2-175.2164.30.7110.5
407N29.9Very low30.3Very low151 Ų151119.7 Ų119.781%0.80762%0.624SS**SBendtrans168.694.5149.8-84.9-19000109.6
408Q27.8Very low30.3Very low196 Ų196121 Ų12192%0.91663%0.63SS**  trans172.589.1144.7-97.7172.327.600109.1
409L24.8Very low30.1Very low168 Ų168123.7 Ų123.788%0.8865%0.645SS**  trans-15380.4161.9-112.9151.3000106.6
410V30.8Very low29.7Very low136 Ų136124.9 Ų124.982%0.82466%0.657SS**  trans-142.698.9158.1-174.70000107.6
411N30.1Very low29.3Very low135 Ų135128.6 Ų128.672%0.72268%0.679SS**  trans39.8115.1142.2-62.2-7.7000121.4
412S25.8Very low29.2Very low101 Ų101132 Ų13271%0.70670%0.703SS**  33.5134.4126.3570000118.7
413T29.5Very low29Very low120 Ų120132 Ų13274%0.73672%0.72SS**  178.4136.460.1-36.10000110.1
414V27.1Very low29Very low115 Ų115134.7 Ų134.770%0.69774%0.742SS**  trans68.2112.9138.1169.90000122.9
415T26.5Very low28.5Very low125 Ų125136.5 Ų136.577%0.76775%0.754SS**  trans53.2147.6139.270.30000119.9
416R26.8Very low28.3Very low239 Ų239136.1 Ų136.190%0.90276%0.756SS**  cis-165.2156.329-157.5172.3-178169.9-0.6108.4
417A25Very low28.3Very low80 Ų80135 Ų13566%0.66176%0.757SS**  trans-62.5156.9-17900000115.3
418H32.6Very low28.2Very low166 Ų166132.8 Ų132.877%0.76975%0.754SS**  -175.4116.9121.9-96.9-68.1000113
419N28.2Very low28.5Very low120 Ų120129.1 Ų129.164%0.64275%0.747SS**  trans44.3124131.1-68.9-5.6000123.3
420N27.1Very low28.8Very low131 Ų131127 Ų12770%0.70175%0.746SS**  66.6122.2125.2-57.9-19000119.8
421L29.1Very low28.7Very low155 Ų155129.6 Ų129.681%0.81275%0.749SS**  180132.693.7-125.776.8000111.1
422S28Very low28.9Very low105 Ų105128 Ų12873%0.73475%0.746SS**  trans29.8127.5138.855.20000120
423G26.4Very low28.8Very low70 Ų70129.5 Ų129.572%0.72275%0.751SS**  130.6168.863.200000110.2
424P34Very low28.6Very low120 Ų120127.7 Ų127.778%0.77975%0.748SS**  -129.1-175.7-118.239.7-26.5000116.9
425S26.8Very low28.5Very low96 Ų96128.5 Ų128.567%0.67175%0.753SS**  trans80.114115271.10000117.4
426L29.1Very low28.5Very low127 Ų127131.5 Ų131.567%0.66576%0.759SS**  -175.8148.261.6-87168.7000112.8
427F29.2Very low28.3Very low179 Ų179126 Ų12679%0.78575%0.752SS**  trans59.7149.4148.5-63.1-57.8000121.3
428S26.5Very low28.4Very low105 Ų105130.3 Ų130.373%0.73476%0.762SS**  cis-179.3168-25.3-111.20000107.1
429P35.4Very low28Very low119 Ų119130.6 Ų130.677%0.77376%0.76SS**  trans-111.3166.3-151.340.3-32.8000116.2
430S30.8Very low27.8Very low124 Ų124130.4 Ų130.487%0.86776%0.764SS**  trans-165.4139.8152.549.70000114.5
431H28Very low27.7Very low189 Ų189131.3 Ų131.388%0.87576%0.764SS**  trans-85-165.2173.8-85.4-80.2000111.6
432P33.9Very low27.7Very low102 Ų102131.8 Ų131.866%0.66276%0.762SS**  -135.7178.3-65.739.5-21.7000114.8
433T25.1Very low27.6Very low132 Ų132130.1 Ų130.181%0.8175%0.754SS**  trans91.7142.2149.5-27.30000121.6
434A25.6Very low27.7Very low82 Ų82134.5 Ų134.568%0.67876%0.761SS**  trans87.6103.9157.500000118.2
435T24.1Very low27.4Very low132 Ų132132.2 Ų132.281%0.8176%0.759SS**  73.410595.6-35.40000113.4
436E26.2Very low27.5Very low188 Ų188134.7 Ų134.788%0.87977%0.77SS**  170152.3114.7-94.8-163.315200112.6
437V23.9Very low27.4Very low125 Ų125137.7 Ų137.776%0.75878%0.778SS**  trans-66.9147.3-176.3172.90000111.4
438I26.7Very low27.4Very low170 Ų170133 Ų13387%0.87278%0.78SS**  -171.9140.3129.1-88.2147.7000110.2
439K23.4Very low27.4Very low171 Ų171134.5 Ų134.574%0.74378%0.779SS**  trans-77.3172.9-172.8-77.1171168.6173.20114.1
440T24.8Very low27.2Very low116 Ų116135.7 Ų135.771%0.71279%0.785SS**  trans74.4140.1148.4490000116
441Q25.7Very low26.9Very low150 Ų150136.6 Ų136.670%0.70178%0.78SS**  cis-177.3162.86.9-124.5169.611.700107.2
442H27.3Very low27.1Very low166 Ų166136.1 Ų136.177%0.76978%0.782SS**  trans66.9148.9155.5-70-65.2000118.3
443A27.6Very low26.7Very low69 Ų69136 Ų13657%0.5778%0.784SS**  cis-173.1157-13.400000107.4
444D26.8Very low27Very low163 Ų163139 Ų13987%0.87279%0.785SS**  trans55.1112.4148.1-56.6-27.7000120.4
445G28.2Very low27Very low72 Ų72139.5 Ų139.574%0.74278%0.784SS**  123.8146.99800000107.2
446V30Very low27Very low147 Ų147141.5 Ų141.589%0.89179%0.785SS**  cis-162.2154.934.1163.90000108.7
447K25.9Very low27.2Very low191 Ų191140.1 Ų140.183%0.8378%0.782SS**  trans-46.8149.9177.4-63.4167.9174.9174.20117
448G29.7Very low27.3Very low81 Ų81138.6 Ų138.684%0.83578%0.777SS**  trans-142.8103152.400000110.3
449N26.1Very low27.2Very low135 Ų135135.1 Ų135.172%0.72277%0.768SS**  trans-81.1140174.3-86.3-8.7000110.8
450T31.5Very low27.4Very low144 Ų144134 Ų13488%0.88377%0.77SS**  trans-142.2109.9142.439.60000110.1
451N25.7Very low27.4Very low144 Ų144134.1 Ų134.177%0.7778%0.776SS**  trans-80.9135.3167.7-80.5-32.9000109.5
452I31Very low27.6Very low178 Ų178133.9 Ų133.991%0.91378%0.778SS**  trans-130.6115.5148.9-64.2-179.4000107.2
453S25.6Very low27.7Very low101 Ų101130.6 Ų130.671%0.70677%0.773SS**  trans-104.2147.8177.4420000110.8
454K30.7Very low27.6Very low193 Ų193137.2 Ų137.284%0.83979%0.789SS**  trans168.6104.7144.5-94.9172-179.5-176.30107.9
455S25.9Very low27.7Very low94 Ų94134.1 Ų134.166%0.65778%0.778SS**  58.8120.891.6710000110.9
456E25.6Very low28Very low174 Ų174140.3 Ų140.381%0.81379%0.785SS**  179.3172.553.5-119.1159.8-163.700109.7
457L29Very low28.5Very low158 Ų158137.3 Ų137.383%0.82776%0.764SS**  trans101.573.7166.7-67.9127.2000119.7
458S25.6Very low30Very low94 Ų94131 Ų13166%0.65774%0.741SS**  33.412511666.10000121.8
459S25Very low31.9Very low97 Ų97131 Ų13168%0.67872%0.719SS**  trans56.9108135.964.40000120.1
460N28.3Very low34.3Very low146 Ų146124.9 Ų124.978%0.78169%0.687SS**  -170.6121.5120.7-95.1-25.5000112.4I462N460-I462 PolarHBondContact O-N 3.46Å
461S23.9Very low36.7Very low120 Ų120123.7 Ų123.784%0.83967%0.674SS**  trans-65.9111.2165.248.80000110.7
462I31.1Very low39.6Very low145 Ų145120.1 Ų120.174%0.74466%0.659SS**  trans-139129.1168.5-58.9-179.4000110.8N460N460-I462 PolarHBondContact O-N 3.46Å
463S28.2Very low42.3Very low96 Ų96111.9 Ų111.967%0.67162%0.617SS**  trans-41142174.540.70000117.1
464K25.2Very low45.3Very low208 Ų208110.8 Ų110.890%0.90460%0.603SS**  trans-54.3124.1158.1-76.5175.1176.5172.20108.6
465P29.5Very low48Very low98 Ų98101.6 Ų101.664%0.63656%0.563SS**  -151.1118.893.734.8-14.9000113.5L467P465-L467 PolarHBondContact O-N 2.9Å
466F34Very low50.9Low203 Ų203101.4 Ų101.489%0.8955%0.551SS**  trans-77.388.8165.7-86.7-82.9000110T468F466-T468 PolarHBondContact O-N 2.94Å
467L40.5Very low53.7Low84 Ų8495.2 Ų95.244%0.4452%0.52SS..  trans-71.195.3158.8-108.5113.6000107.8P465 Q594 W597P465-L467 PolarHBondContact O-N 2.9Å; L467-Q594 HydrophobicContact CD2-CG 3.71Å; L467-W597 HydrophobicContact CB-CZ3 4.17Å; L467-W597 HydrophobicContact CD2-CD2 4.41Å; L467-W597 HydrophobicContact CD2-CE3 3.45Å; L467-W597 VanDerWaalsContact CD2-CE3 3.45Å; L467-W597 HydrophobicContact CD2-CZ3 3.78Å
468T58.5Low56.4Low59 Ų5988 Ų8836%0.36248%0.482SS..PPolyproline II helixtrans-76.1124.9172.9540000109.5F466 Q601F466-T468 PolarHBondContact O-N 2.94Å; T468-Q601 PolarHBondContact O-NE2 3.38Å; T468-Q601 VanDerWaalsContact O-NE2 3.08Å
469H69.4Low59.1Low79 Ų7990.3 Ų90.337%0.36648%0.48SS..PPolyproline II helixtrans-49.5137.4172.2-161.7-78.1000110.7L589 W597H469-L589 PolarHBondContact CE1-O 3.23Å; H469-L589 VanDerWaalsContact CE1-O 3.22Å; H469-W597 AromaticContact CD2-CH2 3.9Å; H469-W597 AromaticContact CD2-CZ2 3.71Å
470P76.6Confident61.9Low7 Ų787.8 Ų87.85%0.04546%0.462CS..PPolyproline II helixtrans-62.3145.1177.223.7-32.2000112.1L589 W597 Y600 Q601P470-L589 HydrophobicContact CB-CD1 4.06Å; P470-L589 HydrophobicContact CG-CD1 3.62Å; P470-L589 HydrophobicContact CG-CG 4.4Å; P470-W597 HydrophobicContact CG-CG 4.4Å; P470-Y600 HydrophobicContact CB-CD1 3.53Å; P470-Y600 HydrophobicContact CB-CE1 4.09Å; P470-Y600 HydrophobicContact CB-CG 4.3Å; P470-Y600 HydrophobicContact CG-CD1 4.23Å; P470-Q601 HydrophobicContact CB-CG 4.1Å
471L81Confident64.7Low119 Ų11983.3 Ų83.362%0.62344%0.437SS*.PPolyproline II helixtrans-89.7147.1169.6-70.7171.1000109.7L473 Y600L471-L473 PolarHBondContact O-N 3.49Å; L471-Y600 VanDerWaalsContact O-CE1 3.31Å; L471-Y600 WeakPolarHBondContact O-CE1 3.46Å
472P86.1Confident67.6Low69 Ų6978.6 Ų78.645%0.44840%0.4SS..PPolyproline II helixtrans-60.7135.7-179.824.6-32.7000111.6L589 Y600P472-L589 HydrophobicContact CB-CD2 3.86Å; P472-L589 HydrophobicContact CG-CD2 4.41Å; P472-Y600 WeakPolarHBondContact CA-OH 3.25Å
473L88.6Confident70.1Confident5 Ų573.9 Ų73.93%0.02638%0.378CS..PPolyproline II helixtrans-76.8160.8167.665.878.6000110.7L471 T475 V498 I531 T534 G535 Y600 I603 V607L471-L473 PolarHBondContact O-N 3.49Å; L473-T475 HydrophobicContact CD1-CG2 4.16Å; L473-V498 HydrophobicContact CD1-CG2 4.39Å; L473-I531 HydrophobicContact CD1-CG2 4.2Å; L473-I531 HydrophobicContact CD2-CD1 3.99Å; L473-I531 HydrophobicContact CD2-CG2 4.02Å; L473-I531 HydrophobicContact CG-CG2 4.2Å; L473-T534 CarbonylContact O-C 3.48Å; L473-G535 WeakPolarHBondContact O-CA 3.49Å; L473-G535 PolarHBondContact O-N 3.38Å; L473-Y600 HydrophobicContact CD2-CE2 4.47Å; L473-Y600 PolarHBondContact N-OH 2.98Å; L473-I603 HydrophobicContact CD2-CG1 4.28Å; L473-I603 HydrophobicContact CD2-CG2 3.91Å; L473-V607 HydrophobicContact CD2-CG2 4.5Å
474N87.8Confident72.6Confident78 Ų7872.7 Ų72.742%0.41736%0.36SS..  trans-138.8117.7173.8179.8-8.4000109.3F476 N533 V607 R611N474-F476 WeakPolarHBondContact OD1-CB 3.49Å; N474-F476 PolarHBondContact OD1-N 3.46Å; N474-N533 WeakPolarHBondContact CA-O 3.34Å; N474-V607 WeakPolarHBondContact O-CG1 3.38Å; N474-R611 WeakPolarHBondContact O-CD 3.33Å; N474-R611 PolarHBondContact O-NH1 3.06Å
475T87.7Confident75.3Confident0 Ų064.4 Ų64.40%033%0.327CS..  trans-107.59.8179.739.20000114.1L473 R477 L478 E496 V498 N533 V607L473-T475 HydrophobicContact CD1-CG2 4.16Å; T475-R477 PolarHBondContact O-N 3.09Å; T475-L478 HydrophobicContact CG2-CD1 3.92Å; T475-L478 VanDerWaalsContact O-CB 3.3Å; T475-L478 WeakPolarHBondContact O-CB 3.22Å; T475-L478 WeakPolarHBondContact O-CG 3.37Å; T475-L478 PolarHBondContact O-N 3.38Å; T475-E496 WeakPolarHBondContact CB-O 3.5Å; T475-E496 PolarHBondContact OG1-O 3.4Å; T475-V498 HydrophobicContact CG2-CG2 3.28Å; T475-N533 PolarHBondContact N-O 3.29Å; T475-N533 VanDerWaalsContact N-O 3.09Å; T475-N533 VanDerWaalsContact OG1-CA 3.26Å; T475-N533 WeakPolarHBondContact OG1-CA 3.45Å; T475-N533 PolarHBondContact OG1-O 3.3Å; T475-V607 HydrophobicContact CG2-CB 4.31Å; T475-V607 HydrophobicContact CG2-CG1 3.63Å; T475-V607 HydrophobicContact CG2-CG2 3.64Å
476F86.1Confident77.4Confident91 Ų9165.6 Ų65.640%0.39932%0.319SS..THydrogen-bonded Turntrans-50.2131.9174.9-171.5-113.8000111.6N474 L478 E496 R611N474-F476 WeakPolarHBondContact OD1-CB 3.49Å; N474-F476 PolarHBondContact OD1-N 3.46Å; F476-L478 PolarHBondContact O-N 2.73Å; F476-E496 WeakPolarHBondContact CA-OE2 3.4Å; F476-E496 WeakPolarHBondContact CD2-OE2 3.34Å; F476-R611 PolarHBondContact O-NH1 2.98Å
477R84.4Confident79.6Confident44 Ų4458.2 Ų58.217%0.16629%0.288CS..THydrogen-bonded Turntrans66.85.1-176.5-61169.9177.8176.61.4116.5T475 E496 E630 D719 S731T475-R477 PolarHBondContact O-N 3.09Å; R477-E496 WeakPolarHBondContact CA-OE1 3.36Å; R477-E496 PolarHBondContact N-OE1 3.3Å; R477-E630 VanDerWaalsContact CD-OE1 3.31Å; R477-E630 WeakPolarHBondContact CD-OE1 3.4Å; R477-D719 IonicContact NH2-OD2 2.59Å; R477-S731 PolarHBondContact NE-OG 2.67Å
478L85.8Confident81.8Confident6 Ų654.4 Ų54.43%0.03127%0.269CS..PPolyproline II helixtrans-78132.2174.6-63.7-172.9000110.6T475 F476 I492 V607 V610 R611 T614T475-L478 HydrophobicContact CG2-CD1 3.92Å; T475-L478 VanDerWaalsContact O-CB 3.3Å; T475-L478 WeakPolarHBondContact O-CB 3.22Å; T475-L478 WeakPolarHBondContact O-CG 3.37Å; T475-L478 PolarHBondContact O-N 3.38Å; F476-L478 PolarHBondContact O-N 2.73Å; L478-I492 HydrophobicContact CB-CD1 4.31Å; L478-I492 HydrophobicContact CB-CG2 4.21Å; L478-I492 HydrophobicContact CD1-CD1 3.85Å; L478-V607 HydrophobicContact CD1-CG1 4.11Å; L478-V610 HydrophobicContact CD1-CB 4.48Å; L478-V610 HydrophobicContact CD1-CG1 3.99Å; L478-V610 HydrophobicContact CD2-CG1 4.02Å; L478-R611 HydrophobicContact CD1-CG 3.96Å; L478-R611 HydrophobicContact CD2-CG 3.95Å; L478-R611 HydrophobicContact CG-CG 4.29Å; L478-T614 HydrophobicContact CD2-CG2 4.2Å
479K83.8Confident83.3Confident142 Ų14251.6 Ų51.662%0.61725%0.252SS*.PPolyproline II helixtrans-69.1151176.7-68.6-172.8177.2-1750111.2M481K479-M481 PolarHBondContact O-N 2.67Å
480P84.1Confident84.3Confident44 Ų4447.9 Ų47.929%0.28623%0.234SC..PPolyproline II helixtrans-53.8133172.6-26.835.8000111.3I492 Q494 F572P480-I492 CarbonylContact C-O 3.53Å; P480-I492 WeakPolarHBondContact CA-O 2.99Å; P480-Q494 HydrophobicContact CB-CG 4.4Å; P480-Q494 HydrophobicContact CG-CB 4.31Å; P480-Q494 HydrophobicContact CG-CG 3.65Å; P480-F572 HydrophobicContact CB-CD2 4.49Å; P480-F572 HydrophobicContact CB-CE2 4.43Å
481M85.7Confident84.9Confident52 Ų5247.7 Ų47.726%0.25623%0.233SC..EExtended strand (participates in β ladder)trans-153.1153.6176.168.4175.968.200111.1K479 N491 I492 F606 V610K479-M481 PolarHBondContact O-N 2.67Å; M481-N491 CarbonylContact O-C 3.5Å; M481-N491 WeakPolarHBondContact O-CA 2.98Å; M481-I492 HydrophobicContact CE-CD1 4.21Å; M481-I492 HydrophobicContact CG-CB 3.97Å; M481-I492 HydrophobicContact CG-CD1 3.85Å; M481-I492 HydrophobicContact CG-CG1 3.87Å; M481-I492 PolarHBondContact N-O 3.09Å; M481-I492 PolarHBondContact O-N 2.77Å; M481-I492 HydrophobicContact SD-CD1 3.92Å; M481-F606 HydrophobicContact SD-CE1 4.4Å; M481-F606 HydrophobicContact SD-CZ 4.44Å; M481-V610 HydrophobicContact CE-CG1 3.45Å; M481-V610 VanDerWaalsContact CE-CG1 3.45Å; M481-V610 HydrophobicContact CE-CG2 4.37Å; M481-V610 HydrophobicContact SD-CG1 4.11Å; M481-V610 HydrophobicContact SD-CG2 3.95Å
482R84.7Confident85.3Confident21 Ų2142.2 Ų42.28%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-130.7121.2179.3-175.3161.6-157-131.2-1.9109.3V489 I490 N491 E501 N552 Q554 L556 F572 G573R482-V489 HydrophobicContact CG-CG1 3.81Å; R482-I490 CarbonylContact C-O 3.5Å; R482-I490 WeakPolarHBondContact CA-O 3.34Å; R482-N491 WeakPolarHBondContact CD-OD1 3.49Å; R482-N491 WeakPolarHBondContact CG-OD1 3.15Å; R482-N491 PolarHBondContact NE-OD1 2.89Å; R482-E501 IonicContact CZ-OE1 3.4Å; R482-E501 IonicContact NE-OE1 2.66Å; R482-E501 IonicContact NH2-OE1 3.27Å; R482-E501 PolarHBondContact NH2-OE1 2.88Å; R482-E501 IonicContact NH2-OE2 3.94Å; R482-E501 PolarHBondContact NH2-OE2 3.45Å; R482-N552 VanDerWaalsContact CZ-O 3.23Å; R482-N552 PolarHBondContact NH1-O 3.1Å; R482-N552 PolarHBondContact NH2-O 3.34Å; R482-Q554 PolarHBondContact NH1-O 2.85Å; R482-L556 HydrophobicContact CG-CD2 3.71Å; R482-L556 HydrophobicContact CG-CG 4.24Å; R482-F572 HydrophobicContact CB-CD1 4.4Å; R482-G573 WeakPolarHBondContact CD-O 3.39Å; R482-G573 PolarHBondContact NE-O 2.52Å
483T84Confident85.3Confident46 Ų4641.2 Ų41.228%0.28220%0.195SC..EExtended strand (participates in β ladder)trans-125.8121.9-174.5-61.80000110.6V489 I490 F606T483-V489 WeakPolarHBondContact O-CA 3.49Å; T483-I490 PolarHBondContact N-O 2.79Å; T483-I490 PolarHBondContact O-N 3.09Å; T483-F606 HydrophobicContact CG2-CE2 4.1Å; T483-F606 HydrophobicContact CG2-CZ 4.16Å
484Y81.9Confident85.1Confident71 Ų7149.2 Ų49.228%0.27823%0.232SC..EExtended strand (participates in β ladder)trans-76.8135.3172.2-172.2-100.4000111.1V489 L503 V516 L523 L551Y484-V489 HydrophobicContact CD2-CG2 3.8Å; Y484-V489 HydrophobicContact CE2-CG2 4.39Å; Y484-L503 HydrophobicContact CD2-CD1 4.46Å; Y484-L503 HydrophobicContact CE2-CD1 3.58Å; Y484-V516 HydrophobicContact CD1-CG2 3.71Å; Y484-V516 HydrophobicContact CD2-CG1 4.39Å; Y484-V516 HydrophobicContact CE1-CG2 4.06Å; Y484-V516 HydrophobicContact CG-CG2 4Å; Y484-L523 HydrophobicContact CE2-CD1 4.21Å; Y484-L523 WeakPolarHBondContact OH-CD1 3.42Å; Y484-L551 HydrophobicContact CE2-CD2 4.23Å
485T80.3Confident84.8Confident34 Ų3449.2 Ų49.221%0.20923%0.232CC..  trans-126.7168.7165.879.50000109.9L487 A488 I490T485-L487 PolarHBondContact O-N 2.84Å; T485-L487 VanDerWaalsContact O-N 3.08Å; T485-A488 WeakPolarHBondContact CA-O 3.21Å; T485-A488 WeakPolarHBondContact CB-O 3.28Å; T485-A488 PolarHBondContact N-O 3.02Å; T485-A488 PolarHBondContact OG1-N 2.82Å; T485-A488 VanDerWaalsContact OG1-N 3.09Å; T485-A488 PolarHBondContact OG1-O 2.87Å; T485-I490 HydrophobicContact CG2-CD1 4.01Å; T485-I490 HydrophobicContact CG2-CG1 4.38Å
486R74.2Confident84.8Confident124 Ų12451 Ų5147%0.46824%0.241SC..SBendtrans-55.2-30.7-179.6-171178.865129.40.5114.3V389V389-R486 PolarHBondContact O-NH2 2.78Å
487L80.2Confident84.9Confident48 Ų4847.1 Ų47.125%0.25123%0.225SC..SBendtrans-121.3-10.3-174.9-66.3-165.8000114.8F390 T485 L503F390-L487 HydrophobicContact CE1-CD1 4.49Å; F390-L487 HydrophobicContact CE2-CD1 3.33Å; F390-L487 HydrophobicContact CE2-CG 4.19Å; F390-L487 HydrophobicContact CZ-CB 4.24Å; F390-L487 HydrophobicContact CZ-CD1 3.21Å; F390-L487 HydrophobicContact CZ-CG 3.55Å; T485-L487 PolarHBondContact O-N 2.84Å; T485-L487 VanDerWaalsContact O-N 3.08Å; L487-L503 PolarHBondContact O-N 2.75Å
488A87.7Confident85.3Confident4 Ų445 Ų453%0.03322%0.217CC..EExtended strand (participates in β ladder)trans-155.7155.8-177.400000111.4T485 E501 F502T485-A488 WeakPolarHBondContact CA-O 3.21Å; T485-A488 WeakPolarHBondContact CB-O 3.28Å; T485-A488 PolarHBondContact N-O 3.02Å; T485-A488 PolarHBondContact OG1-N 2.82Å; T485-A488 VanDerWaalsContact OG1-N 3.09Å; T485-A488 PolarHBondContact OG1-O 2.87Å; A488-E501 CarbonylContact C-O 3.48Å; A488-E501 WeakPolarHBondContact CA-O 3.43Å; A488-F502 HydrophobicContact CB-CD1 3.97Å; A488-F502 HydrophobicContact CB-CE1 4.32Å
489V88.4Confident85.6Confident0 Ų045.1 Ų45.10%022%0.217CC..EExtended strand (participates in β ladder)trans-100.7131.4163.4179.10000108.5R482 T483 Y484 L500 E501 L503 L551 L556R482-V489 HydrophobicContact CG-CG1 3.81Å; T483-V489 WeakPolarHBondContact O-CA 3.49Å; Y484-V489 HydrophobicContact CD2-CG2 3.8Å; Y484-V489 HydrophobicContact CE2-CG2 4.39Å; V489-L500 CarbonylContact O-C 3.48Å; V489-L500 WeakPolarHBondContact O-CA 3.25Å; V489-E501 HydrophobicContact CB-CB 4.15Å; V489-E501 PolarHBondContact N-O 3.36Å; V489-E501 PolarHBondContact O-N 3.41Å; V489-L503 HydrophobicContact CG2-CD1 4.49Å; V489-L551 HydrophobicContact CG2-CD1 3.83Å; V489-L551 HydrophobicContact CG2-CD2 4.11Å; V489-L556 HydrophobicContact CG1-CD1 4.22Å; V489-L556 HydrophobicContact CG1-CD2 3.77Å; V489-L556 HydrophobicContact CG2-CD1 3.88Å; V489-L556 HydrophobicContact CG2-CD2 4.29Å
490I91.5Very high86Confident1 Ų138.4 Ų38.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-104.1125.3178.1-56.6171.8000108R482 T483 T485 V498 F602 I603 F606R482-I490 CarbonylContact C-O 3.5Å; R482-I490 WeakPolarHBondContact CA-O 3.34Å; T483-I490 PolarHBondContact N-O 2.79Å; T483-I490 PolarHBondContact O-N 3.09Å; T485-I490 HydrophobicContact CG2-CD1 4.01Å; T485-I490 HydrophobicContact CG2-CG1 4.38Å; I490-V498 HydrophobicContact CG2-CG1 4.4Å; I490-F602 HydrophobicContact CD1-CE1 3.82Å; I490-F602 HydrophobicContact CD1-CZ 4.37Å; I490-I603 HydrophobicContact CB-CD1 4.4Å; I490-I603 HydrophobicContact CD1-CD1 4.17Å; I490-I603 HydrophobicContact CG1-CD1 4.27Å; I490-I603 HydrophobicContact CG2-CD1 3.3Å; I490-F606 HydrophobicContact CB-CE1 4.46Å; I490-F606 HydrophobicContact CD1-CB 4.39Å; I490-F606 HydrophobicContact CD1-CD1 4.06Å; I490-F606 HydrophobicContact CD1-CD2 3.85Å; I490-F606 HydrophobicContact CD1-CE1 4.31Å; I490-F606 HydrophobicContact CD1-CE2 4.11Å; I490-F606 HydrophobicContact CD1-CG 3.82Å; I490-F606 HydrophobicContact CD1-CZ 4.33Å; I490-F606 HydrophobicContact CG2-CD1 3.9Å; I490-F606 HydrophobicContact CG2-CE1 3.76Å; I490-F606 HydrophobicContact CG2-CZ 4.45Å
491N89.9Confident86.4Confident3 Ų336.3 Ų36.32%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-116.8128.8174.9-56.8-84000109.4M481 R482 L493 V498 C499 E501M481-N491 CarbonylContact O-C 3.5Å; M481-N491 WeakPolarHBondContact O-CA 2.98Å; R482-N491 WeakPolarHBondContact CD-OD1 3.49Å; R482-N491 WeakPolarHBondContact CG-OD1 3.15Å; R482-N491 PolarHBondContact NE-OD1 2.89Å; N491-L493 HydrophobicContact CB-CD2 3.88Å; N491-V498 CarbonylContact O-C 3.59Å; N491-V498 VanDerWaalsContact O-CA 3.25Å; N491-V498 WeakPolarHBondContact O-CA 3.47Å; N491-C499 HydrophobicContact CB-CB 4.2Å; N491-C499 PolarHBondContact N-O 3.05Å; N491-C499 PolarHBondContact ND2-O 3.12Å; N491-C499 PolarHBondContact O-N 3.37Å; N491-E501 PolarHBondContact ND2-OE1 2.91Å
492I88.9Confident86.6Confident4 Ų435.3 Ų35.32%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-98.4120.8156.6-55.3-177.4000105L478 P480 M481 S497 V498 V610L478-I492 HydrophobicContact CB-CD1 4.31Å; L478-I492 HydrophobicContact CB-CG2 4.21Å; L478-I492 HydrophobicContact CD1-CD1 3.85Å; P480-I492 CarbonylContact C-O 3.53Å; P480-I492 WeakPolarHBondContact CA-O 2.99Å; M481-I492 HydrophobicContact CE-CD1 4.21Å; M481-I492 HydrophobicContact CG-CB 3.97Å; M481-I492 HydrophobicContact CG-CD1 3.85Å; M481-I492 HydrophobicContact CG-CG1 3.87Å; M481-I492 PolarHBondContact N-O 3.09Å; M481-I492 PolarHBondContact O-N 2.77Å; M481-I492 HydrophobicContact SD-CD1 3.92Å; I492-S497 WeakPolarHBondContact CA-O 3.48Å; I492-V498 HydrophobicContact CG1-CG2 4.48Å; I492-V610 HydrophobicContact CD1-CG1 4.45Å
493L86.5Confident86.8Confident48 Ų4834.7 Ų34.725%0.25117%0.167SC..  trans-91.3173.2-173.4-61-176.4000111.4N491 D495 E496 S497 C499 P575N491-L493 HydrophobicContact CB-CD2 3.88Å; L493-D495 VanDerWaalsContact C-N 3.29Å; L493-D495 VanDerWaalsContact CB-OD1 3.26Å; L493-D495 WeakPolarHBondContact CB-OD1 3.37Å; L493-D495 PolarHBondContact O-N 2.73Å; L493-E496 WeakPolarHBondContact O-CA 3.43Å; L493-E496 PolarHBondContact O-N 2.77Å; L493-S497 WeakPolarHBondContact CD1-OG 3.36Å; L493-S497 PolarHBondContact N-O 3.14Å; L493-C499 HydrophobicContact CD1-CB 4.4Å; L493-P575 HydrophobicContact CD1-CG 4.39Å
494Q83Confident86.4Confident172 Ų17233.2 Ų33.280%0.80416%0.161SC*.THydrogen-bonded Turntrans-63.4-31.4179.2-78.8176.3-9.100113.8P480 E496P480-Q494 HydrophobicContact CB-CG 4.4Å; P480-Q494 HydrophobicContact CG-CB 4.31Å; P480-Q494 HydrophobicContact CG-CG 3.65Å; Q494-E496 PolarHBondContact O-N 3.4Å
495D82.9Confident85.5Confident79 Ų7931.5 Ų31.542%0.42217%0.166SC..THydrogen-bonded Turntrans-81.714173.169.9-17.4000112.6L493 S497L493-D495 VanDerWaalsContact C-N 3.29Å; L493-D495 VanDerWaalsContact CB-OD1 3.26Å; L493-D495 WeakPolarHBondContact CB-OD1 3.37Å; L493-D495 PolarHBondContact O-N 2.73Å; D495-S497 VanDerWaalsContact CG-OG 3.26Å; D495-S497 PolarHBondContact O-N 2.99Å; D495-S497 VanDerWaalsContact OD1-CB 3.26Å; D495-S497 WeakPolarHBondContact OD1-CB 3.39Å; D495-S497 PolarHBondContact OD1-N 2.88Å; D495-S497 PolarHBondContact OD1-OG 2.81Å; D495-S497 PolarHBondContact OD2-OG 3.28Å
496E86.6Confident84Confident38 Ų3833.6 Ų33.618%0.17818%0.182CC..SBendtrans62.54.3-176.2-48.5173.9147.500114.1T475 F476 R477 L493 Q494 N533T475-E496 WeakPolarHBondContact CB-O 3.5Å; T475-E496 PolarHBondContact OG1-O 3.4Å; F476-E496 WeakPolarHBondContact CA-OE2 3.4Å; F476-E496 WeakPolarHBondContact CD2-OE2 3.34Å; R477-E496 WeakPolarHBondContact CA-OE1 3.36Å; R477-E496 PolarHBondContact N-OE1 3.3Å; L493-E496 WeakPolarHBondContact O-CA 3.43Å; L493-E496 PolarHBondContact O-N 2.77Å; Q494-E496 PolarHBondContact O-N 3.4Å; E496-N533 HydrophobicContact CB-CB 3.75Å; E496-N533 PolarHBondContact OE2-ND2 3.44Å
497S89.6Confident82.6Confident9 Ų931.4 Ų31.46%0.06319%0.19CC..  trans-70.9159.5174.273.20000111I492 L493 D495 I531I492-S497 WeakPolarHBondContact CA-O 3.48Å; L493-S497 WeakPolarHBondContact CD1-OG 3.36Å; L493-S497 PolarHBondContact N-O 3.14Å; D495-S497 VanDerWaalsContact CG-OG 3.26Å; D495-S497 PolarHBondContact O-N 2.99Å; D495-S497 VanDerWaalsContact OD1-CB 3.26Å; D495-S497 WeakPolarHBondContact OD1-CB 3.39Å; D495-S497 PolarHBondContact OD1-N 2.88Å; D495-S497 PolarHBondContact OD1-OG 2.81Å; D495-S497 PolarHBondContact OD2-OG 3.28Å; S497-I531 CarbonylContact C-O 3.49Å; S497-I531 WeakPolarHBondContact CA-O 3.27Å; S497-I531 WeakPolarHBondContact CB-O 3.47Å
498V91.6Very high80.9Confident0 Ų038.3 Ų38.30%022%0.218CC..EExtended strand (participates in β ladder)trans-116.8129.8-177.6-173.60000110.4L473 T475 I490 N491 I492 L500 G530 I531 I603 V607L473-V498 HydrophobicContact CD1-CG2 4.39Å; T475-V498 HydrophobicContact CG2-CG2 3.28Å; I490-V498 HydrophobicContact CG2-CG1 4.4Å; N491-V498 CarbonylContact O-C 3.59Å; N491-V498 VanDerWaalsContact O-CA 3.25Å; N491-V498 WeakPolarHBondContact O-CA 3.47Å; I492-V498 HydrophobicContact CG1-CG2 4.48Å; V498-L500 HydrophobicContact CG1-CD1 4.27Å; V498-G530 CarbonylContact O-C 3.53Å; V498-G530 WeakPolarHBondContact O-CA 3.45Å; V498-I531 HydrophobicContact CB-CB 4.45Å; V498-I531 PolarHBondContact N-O 3.11Å; V498-I531 PolarHBondContact O-N 2.77Å; V498-I603 HydrophobicContact CG1-CD1 3.56Å; V498-I603 HydrophobicContact CG1-CG1 3.53Å; V498-V607 HydrophobicContact CG2-CG2 4.28Å
499C92.2Very high78.9Confident7 Ų740.3 Ų40.35%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-124.1123.3179-165.70000111.3N491 L493 V528 M529 P575N491-C499 HydrophobicContact CB-CB 4.2Å; N491-C499 PolarHBondContact N-O 3.05Å; N491-C499 PolarHBondContact ND2-O 3.12Å; N491-C499 PolarHBondContact O-N 3.37Å; L493-C499 HydrophobicContact CD1-CB 4.4Å; C499-V528 WeakPolarHBondContact SG-CG1 3.39Å; C499-M529 WeakPolarHBondContact CA-O 3.42Å; C499-P575 HydrophobicContact CB-CB 4.24Å; C499-P575 HydrophobicContact CB-CG 4.08Å; C499-P575 WeakPolarHBondContact SG-CB 3.33Å
500L92.8Very high76.9Confident1 Ų145.2 Ų45.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-101.3118.7172-68.485000110.4V489 V498 F502 V528 M529 I531 I603V489-L500 CarbonylContact O-C 3.48Å; V489-L500 WeakPolarHBondContact O-CA 3.25Å; V498-L500 HydrophobicContact CG1-CD1 4.27Å; L500-F502 HydrophobicContact CB-CE2 3.99Å; L500-F502 HydrophobicContact CB-CZ 3.98Å; L500-F502 HydrophobicContact CD2-CE1 4.22Å; L500-F502 HydrophobicContact CD2-CZ 3.81Å; L500-V528 CarbonylContact O-C 3.45Å; L500-V528 VanDerWaalsContact O-CA 3.26Å; L500-V528 WeakPolarHBondContact O-CA 3.22Å; L500-M529 HydrophobicContact CB-CB 4.36Å; L500-M529 PolarHBondContact N-O 3.21Å; L500-M529 PolarHBondContact O-N 3.22Å; L500-I531 HydrophobicContact CD1-CD1 4.18Å; L500-I603 HydrophobicContact CD1-CB 3.93Å; L500-I603 HydrophobicContact CD1-CD1 4.07Å; L500-I603 HydrophobicContact CD1-CG1 3.79Å; L500-I603 HydrophobicContact CD1-CG2 4.11Å; L500-I603 HydrophobicContact CD2-CB 4.17Å; L500-I603 HydrophobicContact CG-CD1 4.36Å
501E91.9Very high74.7Confident1 Ų153.5 Ų53.51%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-97.5100173.6-57.5174-10600109.5R482 A488 V489 N491 V525 P575 P576R482-E501 IonicContact CZ-OE1 3.4Å; R482-E501 IonicContact NE-OE1 2.66Å; R482-E501 IonicContact NH2-OE1 3.27Å; R482-E501 PolarHBondContact NH2-OE1 2.88Å; R482-E501 IonicContact NH2-OE2 3.94Å; R482-E501 PolarHBondContact NH2-OE2 3.45Å; A488-E501 CarbonylContact C-O 3.48Å; A488-E501 WeakPolarHBondContact CA-O 3.43Å; V489-E501 HydrophobicContact CB-CB 4.15Å; V489-E501 PolarHBondContact N-O 3.36Å; V489-E501 PolarHBondContact O-N 3.41Å; N491-E501 PolarHBondContact ND2-OE1 2.91Å; E501-V525 HydrophobicContact CB-CG1 3.74Å; E501-V525 HydrophobicContact CB-CG2 3.98Å; E501-V525 HydrophobicContact CG-CG1 4.37Å; E501-P575 HydrophobicContact CG-CB 4.1Å; E501-P576 WeakPolarHBondContact OE2-CD 3.37Å
502F90.9Very high72.5Confident30 Ų3060.7 Ų60.713%0.13233%0.325CS..EExtended strand (participates in β ladder)trans-77.3128.9-178.6-64.8-77.7000111.6A488 L500 V525 V526 E527 M529 K599A488-F502 HydrophobicContact CB-CD1 3.97Å; A488-F502 HydrophobicContact CB-CE1 4.32Å; L500-F502 HydrophobicContact CB-CE2 3.99Å; L500-F502 HydrophobicContact CB-CZ 3.98Å; L500-F502 HydrophobicContact CD2-CE1 4.22Å; L500-F502 HydrophobicContact CD2-CZ 3.81Å; F502-V525 CarbonylContact O-C 3.5Å; F502-V525 WeakPolarHBondContact O-CA 3.38Å; F502-V526 WeakPolarHBondContact O-CG2 3.17Å; F502-V526 PolarHBondContact O-N 3.35Å; F502-E527 HydrophobicContact CB-CB 4.28Å; F502-E527 WeakPolarHBondContact CB-O 3.23Å; F502-E527 HydrophobicContact CD2-CB 4.09Å; F502-E527 HydrophobicContact CD2-CG 4.27Å; F502-E527 WeakPolarHBondContact CD2-O 3.35Å; F502-E527 PolarHBondContact N-O 2.93Å; F502-M529 HydrophobicContact CE2-CB 3.89Å; F502-K599 HydrophobicContact CE1-CD 3.92Å; F502-K599 HydrophobicContact CE1-CG 3.92Å; F502-K599 HydrophobicContact CE2-CD 4.06Å; F502-K599 HydrophobicContact CZ-CB 4.03Å; F502-K599 HydrophobicContact CZ-CD 3.5Å; F502-K599 HydrophobicContact CZ-CG 3.73Å
503L87.4Confident70.3Confident8 Ų864.5 Ų64.54%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-92.7123.1-174.2-55.3176.5000111.8Y484 L487 V489 R510 L523 R524 V525 L551Y484-L503 HydrophobicContact CD2-CD1 4.46Å; Y484-L503 HydrophobicContact CE2-CD1 3.58Å; L487-L503 PolarHBondContact O-N 2.75Å; V489-L503 HydrophobicContact CG2-CD1 4.49Å; L503-R510 PolarHBondContact O-NH2 3.24Å; L503-L523 HydrophobicContact CD1-CD1 4.39Å; L503-R524 CarbonylContact C-O 3.57Å; L503-R524 WeakPolarHBondContact CA-O 3.29Å; L503-V525 HydrophobicContact CD2-CG2 4.09Å; L503-L551 HydrophobicContact CD1-CD2 4.45Å; L503-L551 HydrophobicContact CD2-CB 4.38Å; L503-L551 HydrophobicContact CD2-CD1 4.04Å; L503-L551 HydrophobicContact CD2-CD2 3.95Å; L503-L551 HydrophobicContact CD2-CG 4.34Å
504G76.8Confident68.3Low15 Ų1568.7 Ų68.716%0.15537%0.371CS..EExtended strand (participates in β ladder)trans-96.5148166.200000112.2R524G504-R524 PolarHBondContact N-O 3.41Å; G504-R524 PolarHBondContact O-N 2.89Å
505G62.5Low66.5Low36 Ų3662.5 Ų62.537%0.37135%0.347SS..  trans174147.1177.500000111.2A507G505-A507 PolarHBondContact O-N 3.31Å
506S49.5Very low64.8Low78 Ų7859.8 Ų59.855%0.54533%0.333SS..  trans-55.2136.3-178.8-1770000111.3K508 T509S506-K508 PolarHBondContact O-N 3.36Å; S506-T509 PolarHBondContact O-N 3.03Å; S506-T509 PolarHBondContact O-OG1 2.98Å
507A44.5Very low63Low78 Ų7863.3 Ų63.365%0.64535%0.352SS*.G310 helixtrans-53.6-27.3-177.500000113.3G505 T509 R510G505-A507 PolarHBondContact O-N 3.31Å; A507-T509 VanDerWaalsContact C-N 3.28Å; A507-T509 PolarHBondContact O-N 2.93Å; A507-R510 PolarHBondContact O-N 2.81Å
508K44.4Very low60.8Low192 Ų19272.2 Ų72.284%0.83539%0.39SS*.G310 helixtrans-64.7-27176.7-71.1-173.9176.3-1790113.7S506S506-K508 PolarHBondContact O-N 3.36Å
509T45.3Very low58.7Low47 Ų4772.5 Ų72.529%0.28839%0.392SS..G310 helixtrans-87.7-17.7-177.5-35.10000112.3S506 A507S506-T509 PolarHBondContact O-N 3.03Å; S506-T509 PolarHBondContact O-OG1 2.98Å; A507-T509 VanDerWaalsContact C-N 3.28Å; A507-T509 PolarHBondContact O-N 2.93Å
510R46.2Very low56.8Low103 Ų10373 Ų7339%0.38940%0.396SS..THydrogen-bonded Turntrans-81.5-13.7-171.5-74.9-177.9169.5-179-2.7115.6L503 A507L503-R510 PolarHBondContact O-NH2 3.24Å; A507-R510 PolarHBondContact O-N 2.81Å
511Q46.6Very low54.9Low175 Ų17582.2 Ų82.282%0.81844%0.439SS*.THydrogen-bonded Turntrans-86.9-16.2-173.3-80.9-177-18.300115.2
512N42.4Very low53.6Low153 Ų15387.6 Ų87.682%0.81847%0.468SS*.SBendtrans-122.512.5-167.7-87.1-4.3000116.2
513Q42.2Very low53Low84 Ų8487.1 Ų87.139%0.39347%0.466SS..  trans-113.797.1-171.3-67.6-177.92.200112.5
514T46.2Very low52.9Low136 Ų13692.4 Ų92.483%0.83449%0.486SS*.  trans-93.7-6.8169.234.60000113.3
515S44.1Very low53.5Low43 Ų4391.7 Ų91.730%0.30148%0.478SS..  trans-116.2117.6179.3161.80000109I517 K518S515-I517 PolarHBondContact O-N 3.39Å; S515-K518 PolarHBondContact OG-N 2.88Å
516V47.6Very low54.8Low21 Ų2192 Ų9213%0.12747%0.473CS..Hα-helixtrans-57.6-35.7176.8179.80000110.3Y484 S520 L556Y484-V516 HydrophobicContact CD1-CG2 3.71Å; Y484-V516 HydrophobicContact CD2-CG1 4.39Å; Y484-V516 HydrophobicContact CE1-CG2 4.06Å; Y484-V516 HydrophobicContact CG-CG2 4Å; V516-S520 WeakPolarHBondContact O-CB 2.82Å; V516-S520 PolarHBondContact O-N 2.79Å; V516-S520 PolarHBondContact O-OG 2.96Å; V516-L556 HydrophobicContact CG1-CB 4.3Å
517I48.3Very low56.8Low113 Ų11389.2 Ų89.258%0.57945%0.451SS*.Hα-helixtrans-77.1-39.1-169.2-55.4174.3000112.4S515S515-I517 PolarHBondContact O-N 3.39Å
518K44.5Very low59.1Low196 Ų19685.5 Ų85.585%0.85242%0.421SS*.Hα-helixtrans-81.8-15.7-179.8-75.8-174.3176.4-179.70114.1S515S515-K518 PolarHBondContact OG-N 2.88Å
519G47.3Very low61.4Low5 Ų576.4 Ų76.45%0.05238%0.381CS..Hα-helixtrans-98.7-16-176.900000116.1Q521G519-Q521 VanDerWaalsContact C-N 3.29Å; G519-Q521 PolarHBondContact O-N 2.91Å
520S51.5Low63.7Low19 Ų1974.6 Ų74.613%0.13337%0.372CS..G310 helixtrans-64.9-23-164.9-79.10000115.8V516 N522 L523 V553V516-S520 WeakPolarHBondContact O-CB 2.82Å; V516-S520 PolarHBondContact O-N 2.79Å; V516-S520 PolarHBondContact O-OG 2.96Å; S520-N522 PolarHBondContact O-N 3.14Å; S520-L523 PolarHBondContact O-N 3.44Å; S520-V553 VanDerWaalsContact OG-CG1 3.3Å; S520-V553 WeakPolarHBondContact OG-CG1 3.44Å
521Q53.2Low66Low194 Ų19469.7 Ų69.791%0.90735%0.353SS*.G310 helixtrans-64.1-15.7-174.5-70.4-168.6-800114.5G519G519-Q521 VanDerWaalsContact C-N 3.29Å; G519-Q521 PolarHBondContact O-N 2.91Å
522N64.2Low68.1Low113 Ų11362.3 Ų62.360%0.60432%0.32SS*.G310 helixtrans-116.33.3-178.2-74.3-29000114.7S520S520-N522 PolarHBondContact O-N 3.14Å
523L77.5Confident70.3Confident20 Ų2057.5 Ų57.511%0.10529%0.294CS..  trans-86.7128.3179.2-66172.4000110.3Y484 L503 S520 L551Y484-L523 HydrophobicContact CE2-CD1 4.21Å; Y484-L523 WeakPolarHBondContact OH-CD1 3.42Å; L503-L523 HydrophobicContact CD1-CD1 4.39Å; S520-L523 PolarHBondContact O-N 3.44Å; L523-L551 HydrophobicContact CB-CB 4.4Å; L523-L551 HydrophobicContact CB-CD2 4.5Å; L523-L551 HydrophobicContact CD1-CD2 4.49Å; L523-L551 PolarHBondContact O-N 3.5Å; L523-L551 VanDerWaalsContact O-N 3.13Å
524R86.3Confident72.5Confident120 Ų12056.4 Ų56.445%0.45329%0.293SS..EExtended strand (participates in β ladder)trans-120.6135.5178-68-179176.4-97.4-4.5110.7L503 G504 V526 G548 V549L503-R524 CarbonylContact C-O 3.57Å; L503-R524 WeakPolarHBondContact CA-O 3.29Å; G504-R524 PolarHBondContact N-O 3.41Å; G504-R524 PolarHBondContact O-N 2.89Å; R524-V526 PolarHBondContact O-N 3.32Å; R524-G548 PolarHBondContact NH1-O 3.49Å; R524-V549 CarbonylContact C-O 3.38Å; R524-V549 WeakPolarHBondContact CA-O 3.39Å
525V88.5Confident74.6Confident0 Ų050 Ų500%025%0.253CS..EExtended strand (participates in β ladder)trans-77.9112.1170.5-1770000108.3E501 F502 L503 V528 G548 V549 L551 P576E501-V525 HydrophobicContact CB-CG1 3.74Å; E501-V525 HydrophobicContact CB-CG2 3.98Å; E501-V525 HydrophobicContact CG-CG1 4.37Å; F502-V525 CarbonylContact O-C 3.5Å; F502-V525 WeakPolarHBondContact O-CA 3.38Å; L503-V525 HydrophobicContact CD2-CG2 4.09Å; V525-V528 HydrophobicContact CG1-CG2 3.58Å; V525-G548 CarbonylContact O-C 3.55Å; V525-G548 WeakPolarHBondContact O-CA 3.45Å; V525-V549 HydrophobicContact CB-CG2 4.06Å; V525-V549 PolarHBondContact N-O 3.48Å; V525-V549 PolarHBondContact O-N 3Å; V525-L551 HydrophobicContact CG2-CB 4.32Å; V525-L551 HydrophobicContact CG2-CD1 3.81Å; V525-P576 HydrophobicContact CB-CG 4.14Å; V525-P576 HydrophobicContact CG1-CG 3.88Å; V525-P576 HydrophobicContact CG2-CG 4.48Å
526V90.6Very high76.8Confident42 Ų4253.2 Ų53.226%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-101.2-22.1-173.8-67.80000113.7F502 R524F502-V526 WeakPolarHBondContact O-CG2 3.17Å; F502-V526 PolarHBondContact O-N 3.35Å; R524-V526 PolarHBondContact O-N 3.32Å
527E91.9Very high78.9Confident20 Ų2055.7 Ų55.79%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-150.5142.4177.6-172.8177.479.400107.9F502 I540 Y541 R542 K599F502-E527 HydrophobicContact CB-CB 4.28Å; F502-E527 WeakPolarHBondContact CB-O 3.23Å; F502-E527 HydrophobicContact CD2-CB 4.09Å; F502-E527 HydrophobicContact CD2-CG 4.27Å; F502-E527 WeakPolarHBondContact CD2-O 3.35Å; F502-E527 PolarHBondContact N-O 2.93Å; E527-I540 HydrophobicContact CG-CG2 3.92Å; E527-Y541 WeakPolarHBondContact CA-O 3.36Å; E527-R542 HydrophobicContact CB-CG 4.47Å; E527-R542 HydrophobicContact CG-CG 4.24Å; E527-R542 IonicContact OE2-CZ 3.59Å; E527-R542 IonicContact OE2-NE 3.4Å; E527-R542 PolarHBondContact OE2-NE 3.24Å; E527-R542 IonicContact OE2-NH2 2.96Å; E527-R542 PolarHBondContact OE2-NH2 2.81Å; E527-K599 IonicContact OE1-NZ 3.46Å; E527-K599 PolarHBondContact OE1-NZ 3.47Å
528V92.2Very high81Confident0 Ų050.5 Ų50.50%025%0.25CC..EExtended strand (participates in β ladder)trans-123.5135.7175.4-179.50000109.2C499 L500 V525 I540 Y541 P543 P576C499-V528 WeakPolarHBondContact SG-CG1 3.39Å; L500-V528 CarbonylContact O-C 3.45Å; L500-V528 VanDerWaalsContact O-CA 3.26Å; L500-V528 WeakPolarHBondContact O-CA 3.22Å; V525-V528 HydrophobicContact CG1-CG2 3.58Å; V528-I540 VanDerWaalsContact O-CA 3.31Å; V528-I540 WeakPolarHBondContact O-CA 3.26Å; V528-Y541 HydrophobicContact CB-CD1 4.11Å; V528-Y541 HydrophobicContact CB-CD2 4.35Å; V528-Y541 HydrophobicContact CB-CE1 3.55Å; V528-Y541 HydrophobicContact CB-CE2 3.82Å; V528-Y541 HydrophobicContact CB-CG 4.47Å; V528-Y541 HydrophobicContact CG1-CD1 4.47Å; V528-Y541 HydrophobicContact CG1-CE1 3.57Å; V528-Y541 HydrophobicContact CG1-CE2 4.46Å; V528-Y541 VanDerWaalsContact CG1-OH 3.29Å; V528-Y541 WeakPolarHBondContact CG1-OH 3.3Å; V528-Y541 HydrophobicContact CG2-CE1 4.42Å; V528-Y541 HydrophobicContact CG2-CE2 3.86Å; V528-Y541 PolarHBondContact N-O 3.06Å; V528-Y541 PolarHBondContact O-N 3.33Å; V528-P543 HydrophobicContact CG2-CG 3.95Å; V528-P576 HydrophobicContact CG2-CG 3.89Å
529M93.7Very high83.3Confident0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-120106.5173.1175.8-176.8-73.700109.1C499 L500 F502 I531 I538 L539 I540 Y596 K599C499-M529 WeakPolarHBondContact CA-O 3.42Å; L500-M529 HydrophobicContact CB-CB 4.36Å; L500-M529 PolarHBondContact N-O 3.21Å; L500-M529 PolarHBondContact O-N 3.22Å; F502-M529 HydrophobicContact CE2-CB 3.89Å; M529-I531 HydrophobicContact CG-CD1 4.32Å; M529-I531 HydrophobicContact CG-CG1 4.1Å; M529-I531 HydrophobicContact SD-CD1 4.2Å; M529-I538 HydrophobicContact CG-CG2 3.75Å; M529-I538 HydrophobicContact SD-CG2 4.37Å; M529-L539 CarbonylContact C-O 3.55Å; M529-L539 WeakPolarHBondContact CA-O 3.29Å; M529-I540 HydrophobicContact CB-CG1 4.38Å; M529-I540 HydrophobicContact CE-CD1 3.66Å; M529-I540 HydrophobicContact CE-CG1 4.2Å; M529-I540 HydrophobicContact CG-CG1 4.2Å; M529-Y596 HydrophobicContact CE-CD1 3.54Å; M529-Y596 HydrophobicContact CE-CE1 4.36Å; M529-Y596 HydrophobicContact CE-CG 3.86Å; M529-K599 HydrophobicContact CE-CB 4.08Å; M529-K599 HydrophobicContact CE-CD 4.22Å; M529-K599 HydrophobicContact SD-CB 4.36Å
530G93.1Very high85.4Confident9 Ų942.1 Ų42.19%0.09321%0.213CC..EExtended strand (participates in β ladder)trans-87.7139.6169.100000110.8V498 I538 L539V498-G530 CarbonylContact O-C 3.53Å; V498-G530 WeakPolarHBondContact O-CA 3.45Å; G530-I538 CarbonylContact O-C 3.57Å; G530-I538 VanDerWaalsContact O-CA 3.29Å; G530-I538 WeakPolarHBondContact O-CA 3.35Å; G530-L539 PolarHBondContact N-O 2.92Å; G530-L539 PolarHBondContact O-N 2.78Å
531I93.5Very high87.3Confident1 Ų142 Ų421%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-135.6126.8178.9-54.6169.7000106.8L473 S497 V498 L500 M529 N537 I538 Y600 I603L473-I531 HydrophobicContact CD1-CG2 4.2Å; L473-I531 HydrophobicContact CD2-CD1 3.99Å; L473-I531 HydrophobicContact CD2-CG2 4.02Å; L473-I531 HydrophobicContact CG-CG2 4.2Å; S497-I531 CarbonylContact C-O 3.49Å; S497-I531 WeakPolarHBondContact CA-O 3.27Å; S497-I531 WeakPolarHBondContact CB-O 3.47Å; V498-I531 HydrophobicContact CB-CB 4.45Å; V498-I531 PolarHBondContact N-O 3.11Å; V498-I531 PolarHBondContact O-N 2.77Å; L500-I531 HydrophobicContact CD1-CD1 4.18Å; M529-I531 HydrophobicContact CG-CD1 4.32Å; M529-I531 HydrophobicContact CG-CG1 4.1Å; M529-I531 HydrophobicContact SD-CD1 4.2Å; I531-N537 WeakPolarHBondContact CA-O 3.43Å; I531-I538 HydrophobicContact CG1-CG1 4.14Å; I531-I538 HydrophobicContact CG1-CG2 4.24Å; I531-I538 HydrophobicContact CG2-CG1 4.36Å; I531-Y600 HydrophobicContact CD1-CD2 3.91Å; I531-Y600 HydrophobicContact CD1-CE2 3.97Å; I531-Y600 HydrophobicContact CG1-CE2 4.49Å; I531-Y600 HydrophobicContact CG2-CE2 4.04Å; I531-I603 HydrophobicContact CD1-CG2 3.62Å
532N90.8Very high89.1Confident20 Ų2035.8 Ų35.811%0.10718%0.178CC..  trans-67.5169177.775.2-29.2000112.1T534 G535 Q536 N537N532-T534 PolarHBondContact ND2-OG1 2.77Å; N532-T534 PolarHBondContact O-N 2.86Å; N532-T534 VanDerWaalsContact O-N 3.14Å; N532-T534 PolarHBondContact OD1-OG1 3.27Å; N532-G535 PolarHBondContact O-N 3.02Å; N532-G535 PolarHBondContact OD1-N 3.01Å; N532-Q536 PolarHBondContact OD1-N 2.84Å; N532-Q536 VanDerWaalsContact OD1-N 3.07Å; N532-N537 HydrophobicContact CB-CB 4.31Å; N532-N537 PolarHBondContact N-O 3.14Å; N532-N537 PolarHBondContact ND2-ND2 2.95Å; N532-N537 PolarHBondContact OD1-N 3.47Å; N532-N537 PolarHBondContact OD1-O 2.88Å
533N88.6Confident90.1Very high51 Ų5130.4 Ų30.427%0.27315%0.149SC..THydrogen-bonded Turntrans-62.5-23.8-174.667.9-19.1000115N474 T475 E496 G535N474-N533 WeakPolarHBondContact CA-O 3.34Å; T475-N533 PolarHBondContact N-O 3.29Å; T475-N533 VanDerWaalsContact N-O 3.09Å; T475-N533 VanDerWaalsContact OG1-CA 3.26Å; T475-N533 WeakPolarHBondContact OG1-CA 3.45Å; T475-N533 PolarHBondContact OG1-O 3.3Å; E496-N533 HydrophobicContact CB-CB 3.75Å; E496-N533 PolarHBondContact OE2-ND2 3.44Å; N533-G535 VanDerWaalsContact C-N 3.34Å
534T88.7Confident90.5Very high62 Ų6233.3 Ų33.338%0.3817%0.165SC..THydrogen-bonded Turntrans-84.1-6.1174.670.80000114.1L473 N532 Q536L473-T534 CarbonylContact O-C 3.48Å; N532-T534 PolarHBondContact ND2-OG1 2.77Å; N532-T534 PolarHBondContact O-N 2.86Å; N532-T534 VanDerWaalsContact O-N 3.14Å; N532-T534 PolarHBondContact OD1-OG1 3.27Å; T534-Q536 PolarHBondContact O-N 3.17Å; T534-Q536 VanDerWaalsContact O-N 3.15Å
535G90.2Very high90.2Very high0 Ų033.8 Ų33.80%017%0.174CC..SBendtrans72-1-177.300000115.1L473 N532 N533 Y600L473-G535 WeakPolarHBondContact O-CA 3.49Å; L473-G535 PolarHBondContact O-N 3.38Å; N532-G535 PolarHBondContact O-N 3.02Å; N532-G535 PolarHBondContact OD1-N 3.01Å; N533-G535 VanDerWaalsContact C-N 3.34Å; G535-Y600 VanDerWaalsContact C-OH 3.3Å; G535-Y600 VanDerWaalsContact CA-OH 3.28Å; G535-Y600 WeakPolarHBondContact CA-OH 3.34Å; G535-Y600 WeakPolarHBondContact O-CE2 3.37Å; G535-Y600 PolarHBondContact O-OH 3.1Å
536Q91.4Very high89.8Confident111 Ų11135.1 Ų35.152%0.51919%0.188SC..  trans-86.2-33.9-172.1-68-174.2-4.800113.4N532 T534 T588 L589N532-Q536 PolarHBondContact OD1-N 2.84Å; N532-Q536 VanDerWaalsContact OD1-N 3.07Å; T534-Q536 PolarHBondContact O-N 3.17Å; T534-Q536 VanDerWaalsContact O-N 3.15Å; Q536-T588 CarbonylContact O-C 3.58Å; Q536-T588 WeakPolarHBondContact O-CA 3.33Å; Q536-L589 PolarHBondContact O-N 2.8Å
537N90.4Very high89.3Confident74 Ų7440.8 Ų40.840%0.39621%0.209SC..EExtended strand (participates in β ladder)trans-106.1125.9-176.8-62.1-43.6000109.4I531 N532I531-N537 WeakPolarHBondContact CA-O 3.43Å; N532-N537 HydrophobicContact CB-CB 4.31Å; N532-N537 PolarHBondContact N-O 3.14Å; N532-N537 PolarHBondContact ND2-ND2 2.95Å; N532-N537 PolarHBondContact OD1-N 3.47Å; N532-N537 PolarHBondContact OD1-O 2.88Å
538I93.6Very high88.9Confident3 Ų339.9 Ų39.92%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-122.7126.6-178.3-55.299.1000108.9M529 G530 I531 I540 Y587 L589 L592 Y600M529-I538 HydrophobicContact CG-CG2 3.75Å; M529-I538 HydrophobicContact SD-CG2 4.37Å; G530-I538 CarbonylContact O-C 3.57Å; G530-I538 VanDerWaalsContact O-CA 3.29Å; G530-I538 WeakPolarHBondContact O-CA 3.35Å; I531-I538 HydrophobicContact CG1-CG1 4.14Å; I531-I538 HydrophobicContact CG1-CG2 4.24Å; I531-I538 HydrophobicContact CG2-CG1 4.36Å; I538-I540 HydrophobicContact CG2-CD1 4.21Å; I538-I540 HydrophobicContact CG2-CG1 3.92Å; I538-Y587 PolarHBondContact N-O 2.96Å; I538-Y587 PolarHBondContact O-N 3.32Å; I538-L589 HydrophobicContact CD1-CB 4.11Å; I538-L589 HydrophobicContact CD1-CD1 4.32Å; I538-L592 HydrophobicContact CB-CD1 4.42Å; I538-L592 HydrophobicContact CG2-CD1 4.19Å; I538-Y600 HydrophobicContact CD1-CD2 4.39Å; I538-Y600 HydrophobicContact CD1-CE2 4.07Å; I538-Y600 HydrophobicContact CG1-CD2 4.11Å; I538-Y600 HydrophobicContact CG1-CE2 3.94Å
539L91.5Very high88.6Confident24 Ų2441.6 Ų41.613%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-108.8131.2171169.259.4000108.6F336 M529 G530 Y541 L584 F586F336-L539 HydrophobicContact CZ-CB 4.43Å; M529-L539 CarbonylContact C-O 3.55Å; M529-L539 WeakPolarHBondContact CA-O 3.29Å; G530-L539 PolarHBondContact N-O 2.92Å; G530-L539 PolarHBondContact O-N 2.78Å; L539-Y541 HydrophobicContact CD2-CD1 4.47Å; L539-Y541 HydrophobicContact CG-CD1 4.24Å; L539-L584 HydrophobicContact CD1-CB 4.08Å; L539-L584 HydrophobicContact CD1-CD2 4.09Å; L539-L584 HydrophobicContact CD1-CG 4.13Å; L539-F586 HydrophobicContact CB-CD1 4.35Å; L539-F586 HydrophobicContact CB-CE1 4.32Å; L539-F586 HydrophobicContact CD1-CD1 3.9Å; L539-F586 HydrophobicContact CD1-CD2 4.25Å; L539-F586 HydrophobicContact CD1-CE1 3.61Å; L539-F586 HydrophobicContact CD1-CE2 3.97Å; L539-F586 HydrophobicContact CD1-CG 4.23Å; L539-F586 HydrophobicContact CD1-CZ 3.65Å; L539-F586 HydrophobicContact CD2-CE1 4.26Å; L539-F586 HydrophobicContact CG-CE1 4.26Å
540I92.6Very high88.1Confident1 Ų146 Ų461%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-126.4131.6175.5-52.6176.6000108.9E527 V528 M529 I538 E585 Y587 L592 Y596E527-I540 HydrophobicContact CG-CG2 3.92Å; V528-I540 VanDerWaalsContact O-CA 3.31Å; V528-I540 WeakPolarHBondContact O-CA 3.26Å; M529-I540 HydrophobicContact CB-CG1 4.38Å; M529-I540 HydrophobicContact CE-CD1 3.66Å; M529-I540 HydrophobicContact CE-CG1 4.2Å; M529-I540 HydrophobicContact CG-CG1 4.2Å; I538-I540 HydrophobicContact CG2-CD1 4.21Å; I538-I540 HydrophobicContact CG2-CG1 3.92Å; I540-E585 HydrophobicContact CB-CB 4.4Å; I540-E585 PolarHBondContact N-O 3.29Å; I540-E585 PolarHBondContact O-N 3.42Å; I540-Y587 HydrophobicContact CD1-CD2 4.06Å; I540-Y587 HydrophobicContact CD1-CE2 4.13Å; I540-L592 HydrophobicContact CD1-CD1 4.14Å; I540-Y596 HydrophobicContact CD1-CD1 3.71Å; I540-Y596 HydrophobicContact CD1-CD2 3.48Å; I540-Y596 VanDerWaalsContact CD1-CD2 3.48Å; I540-Y596 HydrophobicContact CD1-CE1 3.61Å; I540-Y596 HydrophobicContact CD1-CE2 3.31Å; I540-Y596 HydrophobicContact CD1-CG 3.66Å; I540-Y596 HydrophobicContact CG2-CE1 4.12Å
541Y91.7Very high87.7Confident17 Ų1746.3 Ų46.37%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-142.8161.2172.862.5-82000111.2E527 V528 L539 P543 P576 A578 P583E527-Y541 WeakPolarHBondContact CA-O 3.36Å; V528-Y541 HydrophobicContact CB-CD1 4.11Å; V528-Y541 HydrophobicContact CB-CD2 4.35Å; V528-Y541 HydrophobicContact CB-CE1 3.55Å; V528-Y541 HydrophobicContact CB-CE2 3.82Å; V528-Y541 HydrophobicContact CB-CG 4.47Å; V528-Y541 HydrophobicContact CG1-CD1 4.47Å; V528-Y541 HydrophobicContact CG1-CE1 3.57Å; V528-Y541 HydrophobicContact CG1-CE2 4.46Å; V528-Y541 VanDerWaalsContact CG1-OH 3.29Å; V528-Y541 WeakPolarHBondContact CG1-OH 3.3Å; V528-Y541 HydrophobicContact CG2-CE1 4.42Å; V528-Y541 HydrophobicContact CG2-CE2 3.86Å; V528-Y541 PolarHBondContact N-O 3.06Å; V528-Y541 PolarHBondContact O-N 3.33Å; L539-Y541 HydrophobicContact CD2-CD1 4.47Å; L539-Y541 HydrophobicContact CG-CD1 4.24Å; Y541-P543 HydrophobicContact CD2-CG 4.03Å; Y541-P543 HydrophobicContact CE2-CG 3.84Å; Y541-P576 WeakPolarHBondContact CE2-O 3.4Å; Y541-P576 PolarHBondContact OH-O 3.01Å; Y541-A578 HydrophobicContact CD1-CB 4.47Å; Y541-A578 HydrophobicContact CD2-CB 3.71Å; Y541-A578 HydrophobicContact CE2-CB 3.93Å; Y541-A578 HydrophobicContact CG-CB 4.01Å; Y541-P583 WeakPolarHBondContact CA-O 3.41Å
542R90.6Very high87.2Confident63 Ų6348.9 Ų48.924%0.23826%0.257CS..  trans-117.398.1179.7-67.3-176.3-174.285.820.2109.1E527 N544 M545 G546 P583 E585 Y596E527-R542 HydrophobicContact CB-CG 4.47Å; E527-R542 HydrophobicContact CG-CG 4.24Å; E527-R542 IonicContact OE2-CZ 3.59Å; E527-R542 IonicContact OE2-NE 3.4Å; E527-R542 PolarHBondContact OE2-NE 3.24Å; E527-R542 IonicContact OE2-NH2 2.96Å; E527-R542 PolarHBondContact OE2-NH2 2.81Å; R542-N544 PolarHBondContact O-N 2.89Å; R542-M545 PolarHBondContact O-N 3.47Å; R542-G546 PolarHBondContact O-N 2.83Å; R542-P583 HydrophobicContact CB-CG 4.41Å; R542-E585 IonicContact CZ-OE1 3.82Å; R542-E585 IonicContact NH1-OE1 2.97Å; R542-E585 PolarHBondContact NH1-OE1 3.19Å; R542-E585 IonicContact NH2-OE1 3.75Å; R542-Y596 PolarHBondContact NH2-OH 2.77Å
543P85.1Confident86.6Confident1 Ų151.3 Ų51.31%0.00627%0.272CS..G310 helixtrans-53.6135.9-178.8-23.530.5000111.7V528 Y541 M545 G546 G548 V549 P576V528-P543 HydrophobicContact CG2-CG 3.95Å; Y541-P543 HydrophobicContact CD2-CG 4.03Å; Y541-P543 HydrophobicContact CE2-CG 3.84Å; P543-M545 VanDerWaalsContact C-N 3.3Å; P543-M545 PolarHBondContact O-N 2.79Å; P543-G546 PolarHBondContact O-N 2.76Å; P543-G546 VanDerWaalsContact O-N 3.15Å; P543-G548 PolarHBondContact O-N 2.83Å; P543-V549 HydrophobicContact CB-CB 4.44Å; P543-V549 HydrophobicContact CB-CG1 3.82Å; P543-V549 HydrophobicContact CB-CG2 3.82Å; P543-V549 HydrophobicContact CG-CG2 4.27Å; P543-P576 HydrophobicContact CG-CG 4.21Å
544N85.3Confident85.9Confident80 Ų8053.8 Ų53.843%0.42828%0.282SS..G310 helixtrans54.746.1179.6-167.921.2000111.9R542 G546 K547 V549 D582R542-N544 PolarHBondContact O-N 2.89Å; N544-G546 PolarHBondContact O-N 2.73Å; N544-G546 VanDerWaalsContact O-N 3.1Å; N544-K547 WeakPolarHBondContact O-CB 3.48Å; N544-K547 PolarHBondContact O-N 2.82Å; N544-V549 HydrophobicContact CB-CG1 4.24Å; N544-D582 WeakPolarHBondContact CA-OD1 3.36Å; N544-D582 PolarHBondContact N-OD1 2.9Å
545M80.1Confident84.8Confident130 Ų13053 Ų5364%0.6429%0.287SS*.G310 helixtrans53.930.1-178.4-58.3-65.5-73.100114R542 P543 D582R542-M545 PolarHBondContact O-N 3.47Å; P543-M545 VanDerWaalsContact C-N 3.3Å; P543-M545 PolarHBondContact O-N 2.79Å; M545-D582 PolarHBondContact N-OD1 2.76Å; M545-D582 VanDerWaalsContact N-OD1 3.11Å
546G79.5Confident83.6Confident29 Ų2953.6 Ų53.630%0.29929%0.29SS..G310 helixtrans87-1.9179.600000115.7R542 P543 N544 G548R542-G546 PolarHBondContact O-N 2.83Å; P543-G546 PolarHBondContact O-N 2.76Å; P543-G546 VanDerWaalsContact O-N 3.15Å; N544-G546 PolarHBondContact O-N 2.73Å; N544-G546 VanDerWaalsContact O-N 3.1Å; G546-G548 PolarHBondContact O-N 3.07Å
547K81.4Confident81.8Confident161 Ų16150.5 Ų50.570%0.729%0.288SS*.THydrogen-bonded Turntrans-66.8-22.8169.7-66.1179.7179.8174.90112.1N544N544-K547 WeakPolarHBondContact O-CB 3.48Å; N544-K547 PolarHBondContact O-N 2.82Å
548G82.5Confident79.3Confident0 Ų051.1 Ų51.10%029%0.291CS..  trans79.1154.1176.700000114.5R524 V525 P543 G546R524-G548 PolarHBondContact NH1-O 3.49Å; V525-G548 CarbonylContact O-C 3.55Å; V525-G548 WeakPolarHBondContact O-CA 3.45Å; P543-G548 PolarHBondContact O-N 2.83Å; G546-G548 PolarHBondContact O-N 3.07Å
549V85.8Confident76.4Confident37 Ų3757.6 Ų57.622%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-111.4148.2-178.2-66.50000110.3R524 V525 P543 N544 L551 P576R524-V549 CarbonylContact C-O 3.38Å; R524-V549 WeakPolarHBondContact CA-O 3.39Å; V525-V549 HydrophobicContact CB-CG2 4.06Å; V525-V549 PolarHBondContact N-O 3.48Å; V525-V549 PolarHBondContact O-N 3Å; P543-V549 HydrophobicContact CB-CB 4.44Å; P543-V549 HydrophobicContact CB-CG1 3.82Å; P543-V549 HydrophobicContact CB-CG2 3.82Å; P543-V549 HydrophobicContact CG-CG2 4.27Å; N544-V549 HydrophobicContact CB-CG1 4.24Å; V549-L551 PolarHBondContact O-N 2.68Å; V549-P576 HydrophobicContact CG2-CB 3.48Å; V549-P576 VanDerWaalsContact CG2-CB 3.48Å; V549-P576 HydrophobicContact CG2-CG 3.7Å
550P85.1Confident73.6Confident93 Ų9361.1 Ų61.160%0.60436%0.363SS*.EExtended strand (participates in β ladder)trans-53.2137.3176.9-24.934.7000111.7N552P550-N552 PolarHBondContact O-N 2.92Å
551L84.2Confident70.5Confident14 Ų1469.2 Ų69.27%0.07340%0.401CS..PPolyproline II helixtrans-64.4127.4177.2175.362.7000110.5Y484 V489 L503 L523 V525 V549 V553 L556Y484-L551 HydrophobicContact CE2-CD2 4.23Å; V489-L551 HydrophobicContact CG2-CD1 3.83Å; V489-L551 HydrophobicContact CG2-CD2 4.11Å; L503-L551 HydrophobicContact CD1-CD2 4.45Å; L503-L551 HydrophobicContact CD2-CB 4.38Å; L503-L551 HydrophobicContact CD2-CD1 4.04Å; L503-L551 HydrophobicContact CD2-CD2 3.95Å; L503-L551 HydrophobicContact CD2-CG 4.34Å; L523-L551 HydrophobicContact CB-CB 4.4Å; L523-L551 HydrophobicContact CB-CD2 4.5Å; L523-L551 HydrophobicContact CD1-CD2 4.49Å; L523-L551 PolarHBondContact O-N 3.5Å; L523-L551 VanDerWaalsContact O-N 3.13Å; V525-L551 HydrophobicContact CG2-CB 4.32Å; V525-L551 HydrophobicContact CG2-CD1 3.81Å; V549-L551 PolarHBondContact O-N 2.68Å; L551-V553 PolarHBondContact O-N 3.18Å; L551-L556 HydrophobicContact CD1-CD1 4.19Å; L551-L556 HydrophobicContact CD2-CD1 3.95Å; L551-L556 HydrophobicContact CG-CD1 4.17Å
552N82.1Confident67.6Low56 Ų5674.5 Ų74.530%0.29944%0.435SS..PPolyproline II helixtrans-67.8116.5166.3-177.4-11.5000108.3R482 P550 Q554 L556 G573R482-N552 VanDerWaalsContact CZ-O 3.23Å; R482-N552 PolarHBondContact NH1-O 3.1Å; R482-N552 PolarHBondContact NH2-O 3.34Å; P550-N552 PolarHBondContact O-N 2.92Å; N552-Q554 WeakPolarHBondContact OD1-CB 3.31Å; N552-Q554 PolarHBondContact OD1-N 2.97Å; N552-L556 WeakPolarHBondContact O-CD1 3.47Å; N552-G573 WeakPolarHBondContact ND2-CA 3.31Å
553V78.3Confident64.6Low70 Ų7078 Ų7842%0.42446%0.458SS..  trans-88.6-3.8-179.2-65.90000114.1S520 L551 G555 L556S520-V553 VanDerWaalsContact OG-CG1 3.3Å; S520-V553 WeakPolarHBondContact OG-CG1 3.44Å; L551-V553 PolarHBondContact O-N 3.18Å; V553-G555 PolarHBondContact O-N 3.31Å; V553-L556 WeakPolarHBondContact O-CB 3.47Å; V553-L556 PolarHBondContact O-N 2.78Å
554Q73.3Confident61.9Low103 Ų10385.8 Ų85.848%0.48150%0.499SS..THydrogen-bonded Turntrans-66.5127.5-177.2-162.3169.62.100111.2R482 N552 L556 N571 G573R482-Q554 PolarHBondContact NH1-O 2.85Å; N552-Q554 WeakPolarHBondContact OD1-CB 3.31Å; N552-Q554 PolarHBondContact OD1-N 2.97Å; Q554-L556 PolarHBondContact O-N 2.76Å; Q554-N571 WeakPolarHBondContact CG-O 3.25Å; Q554-G573 WeakPolarHBondContact O-CA 3.49Å; Q554-G573 PolarHBondContact O-N 2.84Å
555G65.5Low59.3Low46 Ų4686 Ų8647%0.47451%0.512SS..THydrogen-bonded Turntrans77.61.6-171.800000115V553V553-G555 PolarHBondContact O-N 3.31Å
556L66.7Low56.8Low13 Ų1388.2 Ų88.27%0.06853%0.526CS..  trans-102.856.9170.6-61.7169.9000109.9R482 V489 V516 L551 N552 V553 Q554R482-L556 HydrophobicContact CG-CD2 3.71Å; R482-L556 HydrophobicContact CG-CG 4.24Å; V489-L556 HydrophobicContact CG1-CD1 4.22Å; V489-L556 HydrophobicContact CG1-CD2 3.77Å; V489-L556 HydrophobicContact CG2-CD1 3.88Å; V489-L556 HydrophobicContact CG2-CD2 4.29Å; V516-L556 HydrophobicContact CG1-CB 4.3Å; L551-L556 HydrophobicContact CD1-CD1 4.19Å; L551-L556 HydrophobicContact CD2-CD1 3.95Å; L551-L556 HydrophobicContact CG-CD1 4.17Å; N552-L556 WeakPolarHBondContact O-CD1 3.47Å; V553-L556 WeakPolarHBondContact O-CB 3.47Å; V553-L556 PolarHBondContact O-N 2.78Å; Q554-L556 PolarHBondContact O-N 2.76Å
557G52.1Low54.4Low46 Ų4690.8 Ų90.847%0.47454%0.54SS..  trans-106.9140175.700000111.4S559G557-S559 PolarHBondContact O-N 3.36Å
558D39.3Very low51.8Low87 Ų8792.5 Ų92.547%0.46555%0.551SS.*  trans-59.2130.8158-76.3-35.9000107.1S560D558-S560 PolarHBondContact O-N 2.89Å
559S32.9Very low49.5Very low138 Ų13896.6 Ų96.697%0.96558%0.576SS**THydrogen-bonded Turntrans-64.328.9-174.5-390000114.9G557G557-S559 PolarHBondContact O-N 3.36Å
560S30.9Very low47.2Very low98 Ų98102.3 Ų102.369%0.68560%0.602SS**THydrogen-bonded Turntrans-122-10.3-173.856.80000115.8D558D558-S560 PolarHBondContact O-N 2.89Å
561Q28.2Very low45.4Very low172 Ų172103 Ų10380%0.80460%0.6SS**  trans-153.383.8175.4-66.3-173.57.200113.1
562T30.2Very low44Very low127 Ų127106.6 Ų106.678%0.77962%0.616SS**  trans-145.678.6154.441.80000109.3L564T562-L564 PolarHBondContact O-N 2.99Å
563N27.5Very low43Very low136 Ų136104.1 Ų104.173%0.72760%0.603SS**  trans-82.888.6155.2-82.8-20000106.8
564L30.2Very low42.7Very low165 Ų165104.3 Ų104.386%0.86461%0.608SS**  trans-163.6128162-104.4137.3000109.5T562T562-L564 PolarHBondContact O-N 2.99Å
565A28.8Very low43.1Very low84 Ų84100.5 Ų100.569%0.69459%0.591SS**  trans75.894.1162.500000117S567A565-S567 PolarHBondContact O-N 2.88Å
566N27.6Very low43.9Very low177 Ų17799.3 Ų99.395%0.94758%0.575SS**  -33.9101.7129.5-64.8-24.1000110.6
567S29.5Very low44.7Very low84 Ų84103.1 Ų103.159%0.58760%0.601SS**  trans-156.6115.9155.1-172.20000105.5A565 T569A565-S567 PolarHBondContact O-N 2.88Å; S567-T569 PolarHBondContact O-N 2.79Å
568E28.2Very low46.1Very low197 Ų197102.8 Ų102.892%0.92159%0.594SS**SBendtrans-67.666.8173.4-70.3-179.7146.100110.4
569T32.2Very low47.9Very low86 Ų86101.9 Ų101.953%0.52859%0.594SS.*  trans-165.691.9163.644.30000103.7S567 N571S567-T569 PolarHBondContact O-N 2.79Å; T569-N571 PolarHBondContact O-N 2.89Å
570M39Very low49.9Very low157 Ų157102.2 Ų102.277%0.77359%0.593SS**  trans-6192.6163.1-88.7-162170.700106.5F572M570-F572 HydrophobicContact CB-CD2 4.25Å; M570-F572 HydrophobicContact CB-CE2 3.89Å; M570-F572 HydrophobicContact CB-CZ 4.38Å; M570-F572 VanDerWaalsContact O-CD2 3.25Å; M570-F572 WeakPolarHBondContact O-CD2 3.01Å; M570-F572 PolarHBondContact O-N 2.91Å; M570-F572 HydrophobicContact SD-CZ 4.15Å
571N46Very low52Low106 Ų106100.5 Ų100.557%0.56759%0.591SS**  trans-68.383.4170.4-89.8-10.5000106.6Q554 T569 G573Q554-N571 WeakPolarHBondContact CG-O 3.25Å; T569-N571 PolarHBondContact O-N 2.89Å; N571-G573 PolarHBondContact O-N 3.5Å
572F55.4Low54.5Low91 Ų9193 Ų9340%0.39956%0.557SS.*PPolyproline II helixtrans-55128.1162.7-70-82.2000106.8P480 R482 M570 S574P480-F572 HydrophobicContact CB-CD2 4.49Å; P480-F572 HydrophobicContact CB-CE2 4.43Å; R482-F572 HydrophobicContact CB-CD1 4.4Å; M570-F572 HydrophobicContact CB-CD2 4.25Å; M570-F572 HydrophobicContact CB-CE2 3.89Å; M570-F572 HydrophobicContact CB-CZ 4.38Å; M570-F572 VanDerWaalsContact O-CD2 3.25Å; M570-F572 WeakPolarHBondContact O-CD2 3.01Å; M570-F572 PolarHBondContact O-N 2.91Å; M570-F572 HydrophobicContact SD-CZ 4.15Å; F572-S574 PolarHBondContact O-N 3.26Å
573G62.1Low56.9Low3 Ų389.4 Ų89.43%0.03154%0.536CS..PPolyproline II helixtrans-55129.817700000109.8R482 N552 Q554 N571R482-G573 WeakPolarHBondContact CD-O 3.39Å; R482-G573 PolarHBondContact NE-O 2.52Å; N552-G573 WeakPolarHBondContact ND2-CA 3.31Å; Q554-G573 WeakPolarHBondContact O-CA 3.49Å; Q554-G573 PolarHBondContact O-N 2.84Å; N571-G573 PolarHBondContact O-N 3.5Å
574S71.8Confident59.7Low75 Ų7586.8 Ų86.852%0.52452%0.521SS..PPolyproline II helixtrans-81.7149.2177.847.40000110.7F572F572-S574 PolarHBondContact O-N 3.26Å
575P80.9Confident62.6Low22 Ų2280.9 Ų80.914%0.14349%0.489CS..PPolyproline II helixtrans-60.3147.9168.526.6-33.6000110.1L493 C499 E501L493-P575 HydrophobicContact CD1-CG 4.39Å; C499-P575 HydrophobicContact CB-CB 4.24Å; C499-P575 HydrophobicContact CB-CG 4.08Å; C499-P575 WeakPolarHBondContact SG-CB 3.33Å; E501-P575 HydrophobicContact CG-CB 4.1Å
576P83.2Confident65.6Low21 Ų2183.7 Ų83.714%0.13649%0.486CS..PPolyproline II helixtrans-65.8126.1-175.525.6-32.9000110.4E501 V525 V528 Y541 P543 V549E501-P576 WeakPolarHBondContact OE2-CD 3.37Å; V525-P576 HydrophobicContact CB-CG 4.14Å; V525-P576 HydrophobicContact CG1-CG 3.88Å; V525-P576 HydrophobicContact CG2-CG 4.48Å; V528-P576 HydrophobicContact CG2-CG 3.89Å; Y541-P576 WeakPolarHBondContact CE2-O 3.4Å; Y541-P576 PolarHBondContact OH-O 3.01Å; P543-P576 HydrophobicContact CG-CG 4.21Å; V549-P576 HydrophobicContact CG2-CB 3.48Å; V549-P576 VanDerWaalsContact CG2-CB 3.48Å; V549-P576 HydrophobicContact CG2-CG 3.7Å
577P82.1Confident68.7Low94 Ų9477.9 Ų77.961%0.6145%0.451SS*.PPolyproline II helixtrans-63.3148.7-178.426.9-34.5000111.7
578A81Confident71.7Confident39 Ų3976.7 Ų76.732%0.32244%0.44SS..PPolyproline II helixtrans-69.5130.3170.500000109.7Y541 L584Y541-A578 HydrophobicContact CD1-CB 4.47Å; Y541-A578 HydrophobicContact CD2-CB 3.71Å; Y541-A578 HydrophobicContact CE2-CB 3.93Å; Y541-A578 HydrophobicContact CG-CB 4.01Å; A578-L584 HydrophobicContact CB-CD1 4.02Å
579S78.8Confident74.6Confident68 Ų6867.7 Ų67.748%0.47640%0.398SS..PPolyproline II helixtrans-84.8153177.3-620000111.1G581 D582S579-G581 PolarHBondContact O-N 3.3Å; S579-D582 PolarHBondContact N-OD2 3.02Å; S579-D582 PolarHBondContact O-N 2.8Å
580P74.3Confident77.3Confident144 Ų14469.9 Ų69.994%0.93541%0.407SS*.THydrogen-bonded Turntrans-55110171-2333.1000110.5
581G75.6Confident79.8Confident63 Ų6366.5 Ų66.565%0.64940%0.395SS*.THydrogen-bonded Turntrans114.9-15.5-177.200000115.3S579S579-G581 PolarHBondContact O-N 3.3Å
582D80.9Confident82Confident15 Ų1561.8 Ų61.88%0.0837%0.37CS..SBendtrans-63.6140.6170.6-74.5-31.5000109.8N544 M545 S579 L584N544-D582 WeakPolarHBondContact CA-OD1 3.36Å; N544-D582 PolarHBondContact N-OD1 2.9Å; M545-D582 PolarHBondContact N-OD1 2.76Å; M545-D582 VanDerWaalsContact N-OD1 3.11Å; S579-D582 PolarHBondContact N-OD2 3.02Å; S579-D582 PolarHBondContact O-N 2.8Å; D582-L584 HydrophobicContact CB-CD1 4.44Å; D582-L584 WeakPolarHBondContact O-CD1 3.25Å; D582-L584 PolarHBondContact O-N 2.58Å; D582-L584 VanDerWaalsContact O-N 3.16Å
583P80.5Confident83.7Confident51 Ų5159.3 Ų59.333%0.33136%0.363SS..  trans-73.1110.8178.627.8-32.8000109.7Y541 R542Y541-P583 WeakPolarHBondContact CA-O 3.41Å; R542-P583 HydrophobicContact CB-CG 4.41Å
584L86.1Confident84.9Confident80 Ų8064.9 Ų64.942%0.41939%0.388SS..EExtended strand (participates in β ladder)trans-92.9121.5172.6-77.374.1000110.1L539 A578 D582 F586L539-L584 HydrophobicContact CD1-CB 4.08Å; L539-L584 HydrophobicContact CD1-CD2 4.09Å; L539-L584 HydrophobicContact CD1-CG 4.13Å; A578-L584 HydrophobicContact CB-CD1 4.02Å; D582-L584 HydrophobicContact CB-CD1 4.44Å; D582-L584 WeakPolarHBondContact O-CD1 3.25Å; D582-L584 PolarHBondContact O-N 2.58Å; D582-L584 VanDerWaalsContact O-N 3.16Å; L584-F586 HydrophobicContact CB-CE2 3.9Å; L584-F586 HydrophobicContact CD2-CE2 4.09Å; L584-F586 HydrophobicContact CD2-CZ 4.02Å
585E90.2Very high85.8Confident42 Ų4267.6 Ų67.620%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-108.4118173.9-61.3169.7-165.500108.7I540 R542 Y587 Y596I540-E585 HydrophobicContact CB-CB 4.4Å; I540-E585 PolarHBondContact N-O 3.29Å; I540-E585 PolarHBondContact O-N 3.42Å; R542-E585 IonicContact CZ-OE1 3.82Å; R542-E585 IonicContact NH1-OE1 2.97Å; R542-E585 PolarHBondContact NH1-OE1 3.19Å; R542-E585 IonicContact NH2-OE1 3.75Å; E585-Y587 HydrophobicContact CB-CD2 4.36Å; E585-Y587 HydrophobicContact CB-CE2 3.52Å; E585-Y587 HydrophobicContact CG-CE2 4.43Å; E585-Y587 PolarHBondContact OE2-OH 2.97Å; E585-Y596 PolarHBondContact OE2-OH 3.01Å
586F92.6Very high86.3Confident142 Ų14266.6 Ų66.662%0.62338%0.384SS*.EExtended strand (participates in β ladder)trans-102.8132.4175.3-66.9-93.7000110.4L539 L584L539-F586 HydrophobicContact CB-CD1 4.35Å; L539-F586 HydrophobicContact CB-CE1 4.32Å; L539-F586 HydrophobicContact CD1-CD1 3.9Å; L539-F586 HydrophobicContact CD1-CD2 4.25Å; L539-F586 HydrophobicContact CD1-CE1 3.61Å; L539-F586 HydrophobicContact CD1-CE2 3.97Å; L539-F586 HydrophobicContact CD1-CG 4.23Å; L539-F586 HydrophobicContact CD1-CZ 3.65Å; L539-F586 HydrophobicContact CD2-CE1 4.26Å; L539-F586 HydrophobicContact CG-CE1 4.26Å; L584-F586 HydrophobicContact CB-CE2 3.9Å; L584-F586 HydrophobicContact CD2-CE2 4.09Å; L584-F586 HydrophobicContact CD2-CZ 4.02Å
587Y92.7Very high86.7Confident55 Ų5567.6 Ų67.622%0.21639%0.385CS..EExtended strand (participates in β ladder)trans-134.8148.8177.9-59.9-70.2000110.7I538 I540 E585 T591 L592 P593 Y596I538-Y587 PolarHBondContact N-O 2.96Å; I538-Y587 PolarHBondContact O-N 3.32Å; I540-Y587 HydrophobicContact CD1-CD2 4.06Å; I540-Y587 HydrophobicContact CD1-CE2 4.13Å; E585-Y587 HydrophobicContact CB-CD2 4.36Å; E585-Y587 HydrophobicContact CB-CE2 3.52Å; E585-Y587 HydrophobicContact CG-CE2 4.43Å; E585-Y587 PolarHBondContact OE2-OH 2.97Å; Y587-T591 WeakPolarHBondContact CD1-O 3.31Å; Y587-L592 HydrophobicContact CD2-CD1 3.93Å; Y587-L592 HydrophobicContact CG-CD1 4.12Å; Y587-P593 HydrophobicContact CD1-CG 4.25Å; Y587-P593 VanDerWaalsContact CE1-CD 3.44Å; Y587-P593 HydrophobicContact CE1-CG 3.62Å; Y587-P593 HydrophobicContact CE2-CG 4.12Å; Y587-Y596 HydrophobicContact CE2-CE2 4.15Å
588T91.5Very high86.9Confident59 Ų5972.8 Ų72.836%0.36239%0.393SS..EExtended strand (participates in β ladder)trans-87.1158.8155.761.80000109.2Q536 N590 T591 L592Q536-T588 CarbonylContact O-C 3.58Å; Q536-T588 WeakPolarHBondContact O-CA 3.33Å; T588-N590 PolarHBondContact O-N 2.89Å; T588-N590 VanDerWaalsContact O-N 3.08Å; T588-T591 PolarHBondContact N-OG1 2.88Å; T588-T591 CarbonylContact O-C 3.47Å; T588-T591 PolarHBondContact O-N 2.97Å; T588-T591 PolarHBondContact O-OG1 2.74Å; T588-T591 VanDerWaalsContact O-OG1 3.11Å; T588-T591 WeakPolarHBondContact OG1-CG2 3.38Å; T588-T591 PolarHBondContact OG1-N 2.67Å; T588-T591 PolarHBondContact OG1-OG1 2.88Å; T588-L592 PolarHBondContact O-N 2.79Å
589L89.8Confident87.4Confident8 Ų873.9 Ų73.94%0.04239%0.39CS..THydrogen-bonded Turntrans-53.2-36.1178.9-175.859.3000112.5H469 P470 P472 Q536 I538 T591 Y600H469-L589 PolarHBondContact CE1-O 3.23Å; H469-L589 VanDerWaalsContact CE1-O 3.22Å; P470-L589 HydrophobicContact CB-CD1 4.06Å; P470-L589 HydrophobicContact CG-CD1 3.62Å; P470-L589 HydrophobicContact CG-CG 4.4Å; P472-L589 HydrophobicContact CB-CD2 3.86Å; P472-L589 HydrophobicContact CG-CD2 4.41Å; Q536-L589 PolarHBondContact O-N 2.8Å; I538-L589 HydrophobicContact CD1-CB 4.11Å; I538-L589 HydrophobicContact CD1-CD1 4.32Å; L589-T591 VanDerWaalsContact C-N 3.35Å; L589-Y600 HydrophobicContact CD1-CD1 3.89Å; L589-Y600 HydrophobicContact CD1-CD2 3.8Å; L589-Y600 HydrophobicContact CD1-CE1 3.69Å; L589-Y600 HydrophobicContact CD1-CE2 3.56Å; L589-Y600 HydrophobicContact CD1-CG 3.96Å; L589-Y600 VanDerWaalsContact CD1-CZ 3.5Å; L589-Y600 HydrophobicContact CD2-CE1 4.32Å
590N89.3Confident88Confident132 Ų13270.6 Ų70.671%0.70637%0.367SS*.THydrogen-bonded Turntrans-73.7-23.4178.9-63.1-17.1000113.6T588T588-N590 PolarHBondContact O-N 2.89Å; T588-N590 VanDerWaalsContact O-N 3.08Å
591T91.9Very high88.8Confident87 Ų8766.8 Ų66.853%0.53434%0.337SS..THydrogen-bonded Turntrans-104.81.7179.956.80000112.6Y587 T588 L589 P593Y587-T591 WeakPolarHBondContact CD1-O 3.31Å; T588-T591 PolarHBondContact N-OG1 2.88Å; T588-T591 CarbonylContact O-C 3.47Å; T588-T591 PolarHBondContact O-N 2.97Å; T588-T591 PolarHBondContact O-OG1 2.74Å; T588-T591 VanDerWaalsContact O-OG1 3.11Å; T588-T591 WeakPolarHBondContact OG1-CG2 3.38Å; T588-T591 PolarHBondContact OG1-N 2.67Å; T588-T591 PolarHBondContact OG1-OG1 2.88Å; L589-T591 VanDerWaalsContact C-N 3.35Å; T591-P593 WeakPolarHBondContact O-CD 3.4Å
592L91.2Very high89.3Confident6 Ų668.4 Ų68.43%0.03133%0.326CS..  trans-64.5124.6-178.4-174.969.5000110.8I538 I540 Y587 T588 Y596 W597 Y600I538-L592 HydrophobicContact CB-CD1 4.42Å; I538-L592 HydrophobicContact CG2-CD1 4.19Å; I540-L592 HydrophobicContact CD1-CD1 4.14Å; Y587-L592 HydrophobicContact CD2-CD1 3.93Å; Y587-L592 HydrophobicContact CG-CD1 4.12Å; T588-L592 PolarHBondContact O-N 2.79Å; L592-Y596 HydrophobicContact CD1-CD2 3.98Å; L592-Y596 HydrophobicContact CD1-CG 4.25Å; L592-W597 PolarHBondContact O-NE1 3.22Å; L592-Y600 HydrophobicContact CD2-CD2 4.19Å; L592-Y600 HydrophobicContact CD2-CG 4.34Å
593P91Very high89.7Confident39 Ų3967.7 Ų67.725%0.25332%0.322SS..  trans-58142.2177.6-28.134.9000113Y587 T591 K595 Y596Y587-P593 HydrophobicContact CD1-CG 4.25Å; Y587-P593 VanDerWaalsContact CE1-CD 3.44Å; Y587-P593 HydrophobicContact CE1-CG 3.62Å; Y587-P593 HydrophobicContact CE2-CG 4.12Å; T591-P593 WeakPolarHBondContact O-CD 3.4Å; P593-K595 HydrophobicContact CB-CG 4.14Å; P593-K595 PolarHBondContact O-N 3.38Å; P593-Y596 HydrophobicContact CB-CD2 4.06Å; P593-Y596 HydrophobicContact CB-CE2 4.44Å; P593-Y596 HydrophobicContact CG-CD2 4.21Å; P593-Y596 HydrophobicContact CG-CE2 4.33Å; P593-Y596 PolarHBondContact O-N 2.83Å
594Q87.6Confident90.1Very high120 Ų12065.8 Ų65.856%0.56131%0.31SS*.Hα-helixtrans-54.4-29.2-175.8-164.2178.311.600113.8L467 Y596 W597L467-Q594 HydrophobicContact CD2-CG 3.71Å; Q594-Y596 PolarHBondContact O-N 3.48Å; Q594-W597 HydrophobicContact CG-CD2 4.16Å; Q594-W597 HydrophobicContact CG-CE3 4.24Å; Q594-W597 PolarHBondContact O-N 2.84Å; Q594-W597 VanDerWaalsContact O-N 3.16Å
595K90.4Very high90.1Very high132 Ų13267.2 Ų67.257%0.57431%0.313SS*.Hα-helixtrans-58.6-25175.369.8-177.6-177.3179.90113.5P593P593-K595 HydrophobicContact CB-CG 4.14Å; P593-K595 PolarHBondContact O-N 3.38Å
596Y91.8Very high90Very high2 Ų266.5 Ų66.51%0.00831%0.309CS..Hα-helixtrans-99-9.2179.8-60.8-64.3000113.9M529 I540 R542 E585 Y587 L592 P593 Q594 R598 K599 Y600M529-Y596 HydrophobicContact CE-CD1 3.54Å; M529-Y596 HydrophobicContact CE-CE1 4.36Å; M529-Y596 HydrophobicContact CE-CG 3.86Å; I540-Y596 HydrophobicContact CD1-CD1 3.71Å; I540-Y596 HydrophobicContact CD1-CD2 3.48Å; I540-Y596 VanDerWaalsContact CD1-CD2 3.48Å; I540-Y596 HydrophobicContact CD1-CE1 3.61Å; I540-Y596 HydrophobicContact CD1-CE2 3.31Å; I540-Y596 HydrophobicContact CD1-CG 3.66Å; I540-Y596 HydrophobicContact CG2-CE1 4.12Å; R542-Y596 PolarHBondContact NH2-OH 2.77Å; E585-Y596 PolarHBondContact OE2-OH 3.01Å; Y587-Y596 HydrophobicContact CE2-CE2 4.15Å; L592-Y596 HydrophobicContact CD1-CD2 3.98Å; L592-Y596 HydrophobicContact CD1-CG 4.25Å; P593-Y596 HydrophobicContact CB-CD2 4.06Å; P593-Y596 HydrophobicContact CB-CE2 4.44Å; P593-Y596 HydrophobicContact CG-CD2 4.21Å; P593-Y596 HydrophobicContact CG-CE2 4.33Å; P593-Y596 PolarHBondContact O-N 2.83Å; Q594-Y596 PolarHBondContact O-N 3.48Å; Y596-R598 VanDerWaalsContact C-N 3.32Å; Y596-R598 PolarHBondContact O-N 3.46Å; Y596-K599 HydrophobicContact CD1-CD 3.92Å; Y596-K599 WeakPolarHBondContact O-CB 3.39Å; Y596-K599 PolarHBondContact O-N 3.48Å; Y596-Y600 PolarHBondContact O-N 2.71Å
597W91.4Very high89.8Confident41 Ų4159.8 Ų59.816%0.15528%0.28CS..Hα-helixtrans-58.8-41.1-175.7-72.813.2000112.9L467 H469 P470 L592 Q594 K599 Y600 Q601L467-W597 HydrophobicContact CB-CZ3 4.17Å; L467-W597 HydrophobicContact CD2-CD2 4.41Å; L467-W597 HydrophobicContact CD2-CE3 3.45Å; L467-W597 VanDerWaalsContact CD2-CE3 3.45Å; L467-W597 HydrophobicContact CD2-CZ3 3.78Å; H469-W597 AromaticContact CD2-CH2 3.9Å; H469-W597 AromaticContact CD2-CZ2 3.71Å; P470-W597 HydrophobicContact CG-CG 4.4Å; L592-W597 PolarHBondContact O-NE1 3.22Å; Q594-W597 HydrophobicContact CG-CD2 4.16Å; Q594-W597 HydrophobicContact CG-CE3 4.24Å; Q594-W597 PolarHBondContact O-N 2.84Å; Q594-W597 VanDerWaalsContact O-N 3.16Å; W597-K599 VanDerWaalsContact C-N 3.35Å; W597-K599 PolarHBondContact O-N 2.98Å; W597-Y600 PolarHBondContact O-N 3.24Å; W597-Q601 WeakPolarHBondContact O-CB 3.35Å; W597-Q601 VanDerWaalsContact O-CG 3.27Å; W597-Q601 WeakPolarHBondContact O-CG 3.49Å; W597-Q601 PolarHBondContact O-N 3.05Å
598R87.1Confident89.5Confident204 Ų20459.4 Ų59.477%0.7728%0.28SS*.Hα-helixtrans-66.3-35.9177.2-71.6-175.9179.1157.71.4112.6Y596 F602Y596-R598 VanDerWaalsContact C-N 3.32Å; Y596-R598 PolarHBondContact O-N 3.46Å; R598-F602 WeakPolarHBondContact O-CB 3.4Å; R598-F602 PolarHBondContact O-N 3.22Å
599K90.3Very high89.1Confident61 Ų6159.5 Ų59.527%0.26528%0.277SS..Hα-helixtrans-65.5-46175.7-71.5168.6167.31790110.2F502 E527 M529 Y596 W597 F602 I603F502-K599 HydrophobicContact CE1-CD 3.92Å; F502-K599 HydrophobicContact CE1-CG 3.92Å; F502-K599 HydrophobicContact CE2-CD 4.06Å; F502-K599 HydrophobicContact CZ-CB 4.03Å; F502-K599 HydrophobicContact CZ-CD 3.5Å; F502-K599 HydrophobicContact CZ-CG 3.73Å; E527-K599 IonicContact OE1-NZ 3.46Å; E527-K599 PolarHBondContact OE1-NZ 3.47Å; M529-K599 HydrophobicContact CE-CB 4.08Å; M529-K599 HydrophobicContact CE-CD 4.22Å; M529-K599 HydrophobicContact SD-CB 4.36Å; Y596-K599 HydrophobicContact CD1-CD 3.92Å; Y596-K599 WeakPolarHBondContact O-CB 3.39Å; Y596-K599 PolarHBondContact O-N 3.48Å; W597-K599 VanDerWaalsContact C-N 3.35Å; W597-K599 PolarHBondContact O-N 2.98Å; K599-F602 WeakPolarHBondContact O-CB 3.31Å; K599-F602 PolarHBondContact O-N 3.39Å; K599-I603 PolarHBondContact O-N 2.88Å
600Y93.1Very high89Confident0 Ų059.9 Ų59.90%028%0.28CS..Hα-helixtrans-62.5-45.5175.8-167.9-75.8000112.4P470 L471 P472 L473 I531 G535 I538 L589 L592 Y596 W597 F602 I603 S604P470-Y600 HydrophobicContact CB-CD1 3.53Å; P470-Y600 HydrophobicContact CB-CE1 4.09Å; P470-Y600 HydrophobicContact CB-CG 4.3Å; P470-Y600 HydrophobicContact CG-CD1 4.23Å; L471-Y600 VanDerWaalsContact O-CE1 3.31Å; L471-Y600 WeakPolarHBondContact O-CE1 3.46Å; P472-Y600 WeakPolarHBondContact CA-OH 3.25Å; L473-Y600 HydrophobicContact CD2-CE2 4.47Å; L473-Y600 PolarHBondContact N-OH 2.98Å; I531-Y600 HydrophobicContact CD1-CD2 3.91Å; I531-Y600 HydrophobicContact CD1-CE2 3.97Å; I531-Y600 HydrophobicContact CG1-CE2 4.49Å; I531-Y600 HydrophobicContact CG2-CE2 4.04Å; G535-Y600 VanDerWaalsContact C-OH 3.3Å; G535-Y600 VanDerWaalsContact CA-OH 3.28Å; G535-Y600 WeakPolarHBondContact CA-OH 3.34Å; G535-Y600 WeakPolarHBondContact O-CE2 3.37Å; G535-Y600 PolarHBondContact O-OH 3.1Å; I538-Y600 HydrophobicContact CD1-CD2 4.39Å; I538-Y600 HydrophobicContact CD1-CE2 4.07Å; I538-Y600 HydrophobicContact CG1-CD2 4.11Å; I538-Y600 HydrophobicContact CG1-CE2 3.94Å; L589-Y600 HydrophobicContact CD1-CD1 3.89Å; L589-Y600 HydrophobicContact CD1-CD2 3.8Å; L589-Y600 HydrophobicContact CD1-CE1 3.69Å; L589-Y600 HydrophobicContact CD1-CE2 3.56Å; L589-Y600 HydrophobicContact CD1-CG 3.96Å; L589-Y600 VanDerWaalsContact CD1-CZ 3.5Å; L589-Y600 HydrophobicContact CD2-CE1 4.32Å; L592-Y600 HydrophobicContact CD2-CD2 4.19Å; L592-Y600 HydrophobicContact CD2-CG 4.34Å; Y596-Y600 PolarHBondContact O-N 2.71Å; W597-Y600 PolarHBondContact O-N 3.24Å; Y600-F602 VanDerWaalsContact C-N 3.26Å; Y600-F602 PolarHBondContact O-N 3.07Å; Y600-I603 WeakPolarHBondContact O-CG2 3.39Å; Y600-I603 PolarHBondContact O-N 3.31Å; Y600-S604 WeakPolarHBondContact O-CB 3.12Å; Y600-S604 PolarHBondContact O-N 2.91Å
601Q89.8Confident88.9Confident63 Ų6355 Ų5529%0.29425%0.252SS..Hα-helixtrans-61.9-34.6177.6-75.7175.3-18.100112.7T468 P470 W597 K605T468-Q601 PolarHBondContact O-NE2 3.38Å; T468-Q601 VanDerWaalsContact O-NE2 3.08Å; P470-Q601 HydrophobicContact CB-CG 4.1Å; W597-Q601 WeakPolarHBondContact O-CB 3.35Å; W597-Q601 VanDerWaalsContact O-CG 3.27Å; W597-Q601 WeakPolarHBondContact O-CG 3.49Å; W597-Q601 PolarHBondContact O-N 3.05Å; Q601-K605 WeakPolarHBondContact O-CG 3.45Å; Q601-K605 PolarHBondContact O-N 3.48Å
602F86.6Confident88.5Confident98 Ų9851.6 Ų51.643%0.4323%0.232SC..Hα-helixtrans-65.4-48175.8172.8-99.4000111.6I490 R598 K599 Y600 K605 F606I490-F602 HydrophobicContact CD1-CE1 3.82Å; I490-F602 HydrophobicContact CD1-CZ 4.37Å; R598-F602 WeakPolarHBondContact O-CB 3.4Å; R598-F602 PolarHBondContact O-N 3.22Å; K599-F602 WeakPolarHBondContact O-CB 3.31Å; K599-F602 PolarHBondContact O-N 3.39Å; Y600-F602 VanDerWaalsContact C-N 3.26Å; Y600-F602 PolarHBondContact O-N 3.07Å; F602-K605 WeakPolarHBondContact O-CB 3.13Å; F602-K605 PolarHBondContact O-N 3.21Å; F602-F606 PolarHBondContact O-N 3.43Å
603I89.8Confident88.2Confident0 Ų057.9 Ų57.90%026%0.261CS..Hα-helixtrans-69.2-37.2178.9-172.567.2000112.6L473 I490 V498 L500 I531 K599 Y600 K605 F606 V607L473-I603 HydrophobicContact CD2-CG1 4.28Å; L473-I603 HydrophobicContact CD2-CG2 3.91Å; I490-I603 HydrophobicContact CB-CD1 4.4Å; I490-I603 HydrophobicContact CD1-CD1 4.17Å; I490-I603 HydrophobicContact CG1-CD1 4.27Å; I490-I603 HydrophobicContact CG2-CD1 3.3Å; V498-I603 HydrophobicContact CG1-CD1 3.56Å; V498-I603 HydrophobicContact CG1-CG1 3.53Å; L500-I603 HydrophobicContact CD1-CB 3.93Å; L500-I603 HydrophobicContact CD1-CD1 4.07Å; L500-I603 HydrophobicContact CD1-CG1 3.79Å; L500-I603 HydrophobicContact CD1-CG2 4.11Å; L500-I603 HydrophobicContact CD2-CB 4.17Å; L500-I603 HydrophobicContact CG-CD1 4.36Å; I531-I603 HydrophobicContact CD1-CG2 3.62Å; K599-I603 PolarHBondContact O-N 2.88Å; Y600-I603 WeakPolarHBondContact O-CG2 3.39Å; Y600-I603 PolarHBondContact O-N 3.31Å; I603-K605 VanDerWaalsContact C-N 3.28Å; I603-K605 PolarHBondContact O-N 2.86Å; I603-F606 HydrophobicContact CD1-CB 4.3Å; I603-F606 HydrophobicContact CD1-CD1 4.04Å; I603-F606 HydrophobicContact CD1-CG 4.48Å; I603-F606 WeakPolarHBondContact O-CB 3.02Å; I603-F606 PolarHBondContact O-N 3.23Å; I603-F606 VanDerWaalsContact O-N 3.12Å; I603-V607 HydrophobicContact CD1-CG2 4.47Å; I603-V607 HydrophobicContact CG1-CG2 4.27Å; I603-V607 WeakPolarHBondContact O-CG2 3.35Å; I603-V607 PolarHBondContact O-N 3.05Å
604S88.7Confident87.9Confident11 Ų1157.7 Ų57.78%0.07726%0.259CS..Hα-helixtrans-56.7-43174.1-1800000111.5Y600 V607 Q608Y600-S604 WeakPolarHBondContact O-CB 3.12Å; Y600-S604 PolarHBondContact O-N 2.91Å; S604-V607 PolarHBondContact O-N 3.34Å; S604-Q608 VanDerWaalsContact O-CG 3.28Å; S604-Q608 WeakPolarHBondContact O-CG 3.43Å; S604-Q608 PolarHBondContact O-N 2.9Å
605K85.3Confident88.1Confident110 Ų11053.8 Ų53.848%0.47824%0.244SC..Hα-helixtrans-63.8-44173.3-77.9173.1178.5-173.20113.3L402 Q601 F602 I603 Q608 M609L402-K605 HydrophobicContact CD1-CD 4.22Å; L402-K605 HydrophobicContact CD1-CG 3.51Å; Q601-K605 WeakPolarHBondContact O-CG 3.45Å; Q601-K605 PolarHBondContact O-N 3.48Å; F602-K605 WeakPolarHBondContact O-CB 3.13Å; F602-K605 PolarHBondContact O-N 3.21Å; I603-K605 VanDerWaalsContact C-N 3.28Å; I603-K605 PolarHBondContact O-N 2.86Å; K605-Q608 PolarHBondContact O-N 3.06Å; K605-M609 WeakPolarHBondContact O-CB 3.45Å; K605-M609 PolarHBondContact O-N 2.98Å
606F88.3Confident88Confident26 Ų2647.8 Ų47.811%0.11422%0.218CC..Hα-helixtrans-60.9-47.4177.4178.1-92.1000111M481 T483 I490 F602 I603 Q608 M609 V610M481-F606 HydrophobicContact SD-CE1 4.4Å; M481-F606 HydrophobicContact SD-CZ 4.44Å; T483-F606 HydrophobicContact CG2-CE2 4.1Å; T483-F606 HydrophobicContact CG2-CZ 4.16Å; I490-F606 HydrophobicContact CB-CE1 4.46Å; I490-F606 HydrophobicContact CD1-CB 4.39Å; I490-F606 HydrophobicContact CD1-CD1 4.06Å; I490-F606 HydrophobicContact CD1-CD2 3.85Å; I490-F606 HydrophobicContact CD1-CE1 4.31Å; I490-F606 HydrophobicContact CD1-CE2 4.11Å; I490-F606 HydrophobicContact CD1-CG 3.82Å; I490-F606 HydrophobicContact CD1-CZ 4.33Å; I490-F606 HydrophobicContact CG2-CD1 3.9Å; I490-F606 HydrophobicContact CG2-CE1 3.76Å; I490-F606 HydrophobicContact CG2-CZ 4.45Å; F602-F606 PolarHBondContact O-N 3.43Å; I603-F606 HydrophobicContact CD1-CB 4.3Å; I603-F606 HydrophobicContact CD1-CD1 4.04Å; I603-F606 HydrophobicContact CD1-CG 4.48Å; I603-F606 WeakPolarHBondContact O-CB 3.02Å; I603-F606 PolarHBondContact O-N 3.23Å; I603-F606 VanDerWaalsContact O-N 3.12Å; F606-Q608 PolarHBondContact O-N 2.82Å; F606-M609 HydrophobicContact CD2-CE 3.75Å; F606-M609 HydrophobicContact CE2-CE 3.85Å; F606-M609 WeakPolarHBondContact O-CB 3.41Å; F606-M609 PolarHBondContact O-N 3.25Å; F606-V610 HydrophobicContact CD1-CG2 4.13Å; F606-V610 HydrophobicContact CE1-CG2 3.72Å; F606-V610 HydrophobicContact CZ-CG2 3.95Å; F606-V610 WeakPolarHBondContact O-CG2 3.22Å; F606-V610 PolarHBondContact O-N 3.38Å
607V88.9Confident88Confident1 Ų147.7 Ų47.71%0.00622%0.218CC..Hα-helixtrans-58.9-45.7175.9167.30000111.1L473 N474 T475 L478 V498 I603 S604 M609 V610 R611L473-V607 HydrophobicContact CD2-CG2 4.5Å; N474-V607 WeakPolarHBondContact O-CG1 3.38Å; T475-V607 HydrophobicContact CG2-CB 4.31Å; T475-V607 HydrophobicContact CG2-CG1 3.63Å; T475-V607 HydrophobicContact CG2-CG2 3.64Å; L478-V607 HydrophobicContact CD1-CG1 4.11Å; V498-V607 HydrophobicContact CG2-CG2 4.28Å; I603-V607 HydrophobicContact CD1-CG2 4.47Å; I603-V607 HydrophobicContact CG1-CG2 4.27Å; I603-V607 WeakPolarHBondContact O-CG2 3.35Å; I603-V607 PolarHBondContact O-N 3.05Å; S604-V607 PolarHBondContact O-N 3.34Å; V607-M609 VanDerWaalsContact C-N 3.33Å; V607-M609 PolarHBondContact O-N 3.36Å; V607-V610 PolarHBondContact O-N 3.22Å; V607-R611 HydrophobicContact CG1-CG 4.42Å; V607-R611 WeakPolarHBondContact O-CG 3.33Å; V607-R611 PolarHBondContact O-N 3.49Å
608Q85.5Confident88Confident47 Ų4746.4 Ų46.422%0.2221%0.214CC..Hα-helixtrans-61-40.5176.5-74.7170.4-7.200112.9L402 S604 K605 F606 R611 A612L402-Q608 VanDerWaalsContact CD1-OE1 3.23Å; S604-Q608 VanDerWaalsContact O-CG 3.28Å; S604-Q608 WeakPolarHBondContact O-CG 3.43Å; S604-Q608 PolarHBondContact O-N 2.9Å; K605-Q608 PolarHBondContact O-N 3.06Å; F606-Q608 PolarHBondContact O-N 2.82Å; Q608-R611 PolarHBondContact O-N 3.41Å; Q608-A612 WeakPolarHBondContact O-CB 3.46Å; Q608-A612 PolarHBondContact O-N 3.47Å
609M83.8Confident88.2Confident62 Ų6237.5 Ų37.531%0.30518%0.182SC..Hα-helixtrans-62-45174.5179.4-168.371.400111.3I398 K605 F606 V607 A612 H613I398-M609 HydrophobicContact CD1-SD 4.23Å; I398-M609 HydrophobicContact CG1-SD 4.33Å; K605-M609 WeakPolarHBondContact O-CB 3.45Å; K605-M609 PolarHBondContact O-N 2.98Å; F606-M609 HydrophobicContact CD2-CE 3.75Å; F606-M609 HydrophobicContact CE2-CE 3.85Å; F606-M609 WeakPolarHBondContact O-CB 3.41Å; F606-M609 PolarHBondContact O-N 3.25Å; V607-M609 VanDerWaalsContact C-N 3.33Å; V607-M609 PolarHBondContact O-N 3.36Å; M609-A612 PolarHBondContact O-N 3.3Å; M609-H613 PolarHBondContact O-N 3.35Å; M609-H613 PolarHBondContact O-ND1 3.15Å
610V86.5Confident88.2Confident16 Ų1637 Ų3710%0.09718%0.179CC..Hα-helixtrans-60.7-46.6175.6172.60000110.6L478 M481 I492 F606 V607 A612 H613 T614L478-V610 HydrophobicContact CD1-CB 4.48Å; L478-V610 HydrophobicContact CD1-CG1 3.99Å; L478-V610 HydrophobicContact CD2-CG1 4.02Å; M481-V610 HydrophobicContact CE-CG1 3.45Å; M481-V610 VanDerWaalsContact CE-CG1 3.45Å; M481-V610 HydrophobicContact CE-CG2 4.37Å; M481-V610 HydrophobicContact SD-CG1 4.11Å; M481-V610 HydrophobicContact SD-CG2 3.95Å; I492-V610 HydrophobicContact CD1-CG1 4.45Å; F606-V610 HydrophobicContact CD1-CG2 4.13Å; F606-V610 HydrophobicContact CE1-CG2 3.72Å; F606-V610 HydrophobicContact CZ-CG2 3.95Å; F606-V610 WeakPolarHBondContact O-CG2 3.22Å; F606-V610 PolarHBondContact O-N 3.38Å; V607-V610 PolarHBondContact O-N 3.22Å; V610-A612 VanDerWaalsContact C-N 3.32Å; V610-A612 PolarHBondContact O-N 3.13Å; V610-H613 CarbonylContact O-C 3.55Å; V610-H613 PolarHBondContact O-N 3.27Å; V610-H613 VanDerWaalsContact O-N 3.11Å; V610-T614 WeakPolarHBondContact O-CB 3.45Å; V610-T614 PolarHBondContact O-N 3.38Å; V610-T614 VanDerWaalsContact O-N 3.07Å; V610-T614 PolarHBondContact O-OG1 2.81Å
611R89.2Confident88Confident29 Ų2938.2 Ų38.211%0.10919%0.186CC..Hα-helixtrans-59.4-40176.2-68.8-176.880.976.414.4112.6N474 F476 L478 V607 Q608 H613 T614 E630 N631N474-R611 WeakPolarHBondContact O-CD 3.33Å; N474-R611 PolarHBondContact O-NH1 3.06Å; F476-R611 PolarHBondContact O-NH1 2.98Å; L478-R611 HydrophobicContact CD1-CG 3.96Å; L478-R611 HydrophobicContact CD2-CG 3.95Å; L478-R611 HydrophobicContact CG-CG 4.29Å; V607-R611 HydrophobicContact CG1-CG 4.42Å; V607-R611 WeakPolarHBondContact O-CG 3.33Å; V607-R611 PolarHBondContact O-N 3.49Å; Q608-R611 PolarHBondContact O-N 3.41Å; R611-H613 PolarHBondContact O-N 2.72Å; R611-T614 PolarHBondContact O-N 3.03Å; R611-E630 HydrophobicContact CB-CB 4.07Å; R611-E630 HydrophobicContact CG-CB 4.39Å; R611-E630 VanDerWaalsContact CZ-O 3.26Å; R611-E630 IonicContact CZ-OE2 3.72Å; R611-E630 PolarHBondContact NE-O 3.2Å; R611-E630 PolarHBondContact NH2-O 2.82Å; R611-E630 IonicContact NH2-OE2 2.64Å; R611-E630 PolarHBondContact NH2-OE2 2.85Å; R611-E630 PolarHBondContact O-N 2.88Å; R611-N631 HydrophobicContact CB-CB 4.16Å; R611-N631 PolarHBondContact O-N 3.19Å
612A83.1Confident87.7Confident15 Ų1540.1 Ų40.112%0.12420%0.199CC..Hα-helixtrans-66.7-18.8179.300000113.4Q608 M609 V610 M629 N631Q608-A612 WeakPolarHBondContact O-CB 3.46Å; Q608-A612 PolarHBondContact O-N 3.47Å; M609-A612 PolarHBondContact O-N 3.3Å; V610-A612 VanDerWaalsContact C-N 3.32Å; V610-A612 PolarHBondContact O-N 3.13Å; A612-M629 WeakPolarHBondContact O-CG 3.27Å; A612-N631 HydrophobicContact CB-CB 4Å
613H83.6Confident87.6Confident138 Ų13840.9 Ų40.964%0.63920%0.202SC*.THydrogen-bonded Turntrans-110.25.6177.8-65.480000113.3M609 V610 R611 P615M609-H613 PolarHBondContact O-N 3.35Å; M609-H613 PolarHBondContact O-ND1 3.15Å; V610-H613 CarbonylContact O-C 3.55Å; V610-H613 PolarHBondContact O-N 3.27Å; V610-H613 VanDerWaalsContact O-N 3.11Å; R611-H613 PolarHBondContact O-N 2.72Å; H613-P615 WeakPolarHBondContact O-CD 3.31Å
614T86.4Confident87.5Confident36 Ų3640.9 Ų40.922%0.22120%0.202CC..  trans-105.4107.1179.5-58.20000109L478 V610 R611 K616 M629 E630L478-T614 HydrophobicContact CD2-CG2 4.2Å; V610-T614 WeakPolarHBondContact O-CB 3.45Å; V610-T614 PolarHBondContact O-N 3.38Å; V610-T614 VanDerWaalsContact O-N 3.07Å; V610-T614 PolarHBondContact O-OG1 2.81Å; R611-T614 PolarHBondContact O-N 3.03Å; T614-K616 PolarHBondContact O-N 3.2Å; T614-M629 WeakPolarHBondContact O-CA 3.48Å; T614-E630 HydrophobicContact CG2-CG 4.09Å; T614-E630 PolarHBondContact O-N 2.85Å
615P90.3Very high87.7Confident38 Ų3842.8 Ų42.825%0.24721%0.209CC..EExtended strand (participates in β ladder)trans-68.8128.4176.2-17.131.1000110.8H613 M627 L628 M629 P734H613-P615 WeakPolarHBondContact O-CD 3.31Å; P615-M627 HydrophobicContact CB-CB 4.33Å; P615-M627 HydrophobicContact CG-SD 4.29Å; P615-L628 CarbonylContact C-O 3.6Å; P615-L628 WeakPolarHBondContact CA-O 3.44Å; P615-M629 HydrophobicContact CB-SD 4.08Å; P615-M629 HydrophobicContact CG-SD 3.89Å; P615-P734 WeakPolarHBondContact O-CB 3.17Å
616K88.7Confident88Confident5 Ų537.6 Ų37.62%0.02219%0.186CC..EExtended strand (participates in β ladder)trans-87-38167.759.3-179.5179.4-176.30112T614 L628 M629 E630 G632 E712 F733 P734 V735T614-K616 PolarHBondContact O-N 3.2Å; K616-L628 HydrophobicContact CD-CD2 4.49Å; K616-L628 VanDerWaalsContact CE-CD2 3.43Å; K616-L628 VanDerWaalsContact CE-CG 3.48Å; K616-L628 HydrophobicContact CG-CB 4.45Å; K616-L628 HydrophobicContact CG-CD2 4.44Å; K616-L628 HydrophobicContact CG-CG 4.24Å; K616-L628 VanDerWaalsContact CG-O 3.26Å; K616-L628 WeakPolarHBondContact CG-O 3.2Å; K616-L628 PolarHBondContact N-O 2.81Å; K616-M629 VanDerWaalsContact CE-O 3.22Å; K616-M629 WeakPolarHBondContact CE-O 3.5Å; K616-E630 HydrophobicContact CB-CG 4.04Å; K616-E630 WeakPolarHBondContact CB-OE1 3.32Å; K616-G632 PolarHBondContact NZ-O 3.27Å; K616-E712 HydrophobicContact CD-CG 4.27Å; K616-E712 WeakPolarHBondContact CE-OE1 3.46Å; K616-E712 IonicContact NZ-OE1 2.84Å; K616-E712 PolarHBondContact NZ-OE1 2.86Å; K616-E712 IonicContact NZ-OE2 3.63Å; K616-E712 PolarHBondContact NZ-OE2 2.87Å; K616-F733 HydrophobicContact CB-CD1 4.01Å; K616-F733 WeakPolarHBondContact O-CD1 3.33Å; K616-P734 WeakPolarHBondContact O-CA 3.42Å; K616-V735 PolarHBondContact O-N 3.31Å
617V90.8Very high88.3Confident0 Ų037.8 Ų37.80%019%0.187CC..EExtended strand (participates in β ladder)trans-126.7123.2175.2-179.20000108.7M627 L628 C708 I711 E712 F733 V735V617-M627 CarbonylContact O-C 3.47Å; V617-M627 WeakPolarHBondContact O-CA 3.2Å; V617-L628 HydrophobicContact CB-CB 4.11Å; V617-L628 HydrophobicContact CG2-CD2 4.42Å; V617-L628 PolarHBondContact N-O 2.83Å; V617-L628 PolarHBondContact O-N 3.16Å; V617-C708 HydrophobicContact CG1-CB 4.15Å; V617-I711 HydrophobicContact CG1-CG2 4.21Å; V617-I711 HydrophobicContact CG2-CG2 4.46Å; V617-E712 HydrophobicContact CG2-CB 4.19Å; V617-F733 HydrophobicContact CG2-CE1 4.04Å; V617-V735 HydrophobicContact CB-CG1 4.07Å; V617-V735 HydrophobicContact CG1-CG1 4Å; V617-V735 HydrophobicContact CG2-CG1 3.76Å
618T92.4Very high88.5Confident14 Ų1437.7 Ų37.79%0.08619%0.187CC..EExtended strand (participates in β ladder)trans-110116.8166.3-570000108.7Y620 K625 C626 M627 V735 I736 L737T618-Y620 HydrophobicContact CG2-CD2 4.13Å; T618-Y620 HydrophobicContact CG2-CE2 3.56Å; T618-K625 HydrophobicContact CG2-CG 4.41Å; T618-C626 CarbonylContact C-O 3.46Å; T618-C626 VanDerWaalsContact CA-O 3.31Å; T618-C626 WeakPolarHBondContact CA-O 3.14Å; T618-M627 HydrophobicContact CG2-CG 4.11Å; T618-V735 PolarHBondContact N-O 3.39Å; T618-I736 HydrophobicContact CG2-CG2 4.38Å; T618-I736 CarbonylContact O-C 3.52Å; T618-I736 WeakPolarHBondContact O-CA 3.16Å; T618-L737 PolarHBondContact O-N 3.37Å
619L91.7Very high88.8Confident17 Ų1736.1 Ų36.19%0.08918%0.18CC..EExtended strand (participates in β ladder)trans-115.9119.1178.7173.568.3000109.4T621 C626 L737L619-T621 HydrophobicContact CD2-CG2 4.37Å; L619-T621 HydrophobicContact CG-CG2 4.31Å; L619-C626 HydrophobicContact CB-CB 4.12Å; L619-C626 PolarHBondContact N-O 3.24Å; L619-C626 WeakPolarHBondContact O-CA 3.47Å; L619-C626 WeakPolarHBondContact O-CB 3.48Å; L619-C626 PolarHBondContact O-N 3.16Å; L619-L737 CarbonylContact C-O 3.51Å; L619-L737 WeakPolarHBondContact CA-O 3.21Å; L619-L737 HydrophobicContact CD1-CB 3.82Å
620Y90.6Very high89Confident52 Ų5233.6 Ų33.620%0.20417%0.167CC..EExtended strand (participates in β ladder)trans-94.7126.1170-66-94.7000109.8T618 K625 I736 L737 G738 H739 R740T618-Y620 HydrophobicContact CG2-CD2 4.13Å; T618-Y620 HydrophobicContact CG2-CE2 3.56Å; Y620-K625 HydrophobicContact CD1-CB 3.96Å; Y620-K625 HydrophobicContact CD1-CD 4.44Å; Y620-K625 HydrophobicContact CD1-CG 3.94Å; Y620-K625 HydrophobicContact CE1-CB 3.94Å; Y620-K625 HydrophobicContact CE1-CD 3.61Å; Y620-K625 HydrophobicContact CE1-CG 3.56Å; Y620-K625 VanDerWaalsContact OH-CE 3.29Å; Y620-K625 WeakPolarHBondContact OH-CE 3.45Å; Y620-I736 HydrophobicContact CD2-CG2 4.26Å; Y620-I736 HydrophobicContact CE2-CG2 3.87Å; Y620-L737 PolarHBondContact N-O 2.81Å; Y620-G738 WeakPolarHBondContact CD2-O 3.27Å; Y620-H739 VanDerWaalsContact CB-N 3.26Å; Y620-H739 VanDerWaalsContact CB-O 3.28Å; Y620-H739 WeakPolarHBondContact CB-O 3.31Å; Y620-R740 HydrophobicContact CD1-CB 4.24Å; Y620-R740 HydrophobicContact CE1-CB 4.14Å
621T88.1Confident88.9Confident24 Ų2433.9 Ų33.915%0.14717%0.168CC..  trans-106.8174.8167.679.90000109.9L619 K623 V624 H642 Y700 L804L619-T621 HydrophobicContact CD2-CG2 4.37Å; L619-T621 HydrophobicContact CG-CG2 4.31Å; T621-K623 PolarHBondContact O-N 3.39Å; T621-K623 PolarHBondContact OG1-N 2.95Å; T621-K623 VanDerWaalsContact OG1-N 3.16Å; T621-V624 HydrophobicContact CG2-CG2 4.04Å; T621-V624 PolarHBondContact N-O 3.34Å; T621-V624 WeakPolarHBondContact OG1-CG2 3.45Å; T621-V624 PolarHBondContact OG1-N 3.26Å; T621-V624 PolarHBondContact OG1-O 3.28Å; T621-H642 PolarHBondContact O-NE2 3.3Å; T621-Y700 PolarHBondContact OG1-OH 3.34Å; T621-Y700 VanDerWaalsContact OG1-OH 3.05Å; T621-L804 WeakPolarHBondContact O-CD2 3.47Å
622D83.3Confident88Confident104 Ų10433.2 Ų33.256%0.55617%0.171SC*.SBendtrans-56.1-27.5170.963.9-34.1000113.4
623K84.4Confident87.2Confident114 Ų11437.1 Ų37.150%0.49620%0.195SC..SBendtrans-110.6-32.6-175-65.5175.7-172.5-179.60114.5T621 F641 H642 Y700T621-K623 PolarHBondContact O-N 3.39Å; T621-K623 PolarHBondContact OG1-N 2.95Å; T621-K623 VanDerWaalsContact OG1-N 3.16Å; K623-F641 WeakPolarHBondContact O-CA 3.29Å; K623-H642 PolarHBondContact O-CD2 3.25Å; K623-H642 VanDerWaalsContact O-CD2 3.3Å; K623-H642 PolarHBondContact O-N 3.28Å; K623-Y700 HydrophobicContact CB-CE1 4.29Å
624V88.5Confident86.8Confident0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-138.7150.6-170.2-65.40000113.1T621 C626 E640 F641 H642 Y700T621-V624 HydrophobicContact CG2-CG2 4.04Å; T621-V624 PolarHBondContact N-O 3.34Å; T621-V624 WeakPolarHBondContact OG1-CG2 3.45Å; T621-V624 PolarHBondContact OG1-N 3.26Å; T621-V624 PolarHBondContact OG1-O 3.28Å; V624-C626 WeakPolarHBondContact CG2-SG 3.2Å; V624-E640 CarbonylContact C-O 3.59Å; V624-E640 VanDerWaalsContact CA-O 3.27Å; V624-E640 WeakPolarHBondContact CA-O 3.49Å; V624-F641 HydrophobicContact CG1-CB 4.27Å; V624-F641 HydrophobicContact CG1-CD1 3.27Å; V624-F641 HydrophobicContact CG1-CD2 3.66Å; V624-F641 HydrophobicContact CG1-CE1 3.25Å; V624-F641 HydrophobicContact CG1-CE2 3.65Å; V624-F641 HydrophobicContact CG1-CG 3.47Å; V624-F641 VanDerWaalsContact CG1-CG 3.47Å; V624-F641 HydrophobicContact CG1-CZ 3.43Å; V624-F641 VanDerWaalsContact CG1-CZ 3.43Å; V624-H642 VanDerWaalsContact C-NE2 3.29Å; V624-H642 PolarHBondContact N-CD2 2.87Å; V624-H642 PolarHBondContact N-NE2 2.7Å; V624-H642 PolarHBondContact O-NE2 3.42Å; V624-Y700 HydrophobicContact CG1-CE1 3.93Å; V624-Y700 HydrophobicContact CG2-CE1 3.7Å
625K92.2Very high86.5Confident51 Ų5130.3 Ų30.322%0.22216%0.164CC..EExtended strand (participates in β ladder)trans-95.4115.5158.1176.6-173.9179.3-178.30108.5T618 Y620 T639 E640T618-K625 HydrophobicContact CG2-CG 4.41Å; Y620-K625 HydrophobicContact CD1-CB 3.96Å; Y620-K625 HydrophobicContact CD1-CD 4.44Å; Y620-K625 HydrophobicContact CD1-CG 3.94Å; Y620-K625 HydrophobicContact CE1-CB 3.94Å; Y620-K625 HydrophobicContact CE1-CD 3.61Å; Y620-K625 HydrophobicContact CE1-CG 3.56Å; Y620-K625 VanDerWaalsContact OH-CE 3.29Å; Y620-K625 WeakPolarHBondContact OH-CE 3.45Å; K625-T639 CarbonylContact O-C 3.47Å; K625-T639 VanDerWaalsContact O-CA 3.25Å; K625-T639 WeakPolarHBondContact O-CA 3.25Å; K625-E640 HydrophobicContact CB-CB 4.41Å; K625-E640 PolarHBondContact N-O 2.75Å; K625-E640 PolarHBondContact O-N 3.28Å
626C92.7Very high86.5Confident0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-100.5140.6177.2-62.80000110.6T618 L619 V624 F637 V638 T639T618-C626 CarbonylContact C-O 3.46Å; T618-C626 VanDerWaalsContact CA-O 3.31Å; T618-C626 WeakPolarHBondContact CA-O 3.14Å; L619-C626 HydrophobicContact CB-CB 4.12Å; L619-C626 PolarHBondContact N-O 3.24Å; L619-C626 WeakPolarHBondContact O-CA 3.47Å; L619-C626 WeakPolarHBondContact O-CB 3.48Å; L619-C626 PolarHBondContact O-N 3.16Å; V624-C626 WeakPolarHBondContact CG2-SG 3.2Å; C626-F637 HydrophobicContact CB-CE2 3.93Å; C626-F637 HydrophobicContact CB-CZ 3.57Å; C626-V638 CarbonylContact C-O 3.57Å; C626-V638 WeakPolarHBondContact CA-O 3.41Å; C626-T639 HydrophobicContact CB-CG2 4.42Å
627M93.5Very high86.7Confident30 Ų3029.2 Ų29.215%0.14816%0.157CC..EExtended strand (participates in β ladder)trans-137.7115.6177.3-66.2177-66.300109.2P615 V617 T618 M629 F637 V638P615-M627 HydrophobicContact CB-CB 4.33Å; P615-M627 HydrophobicContact CG-SD 4.29Å; V617-M627 CarbonylContact O-C 3.47Å; V617-M627 WeakPolarHBondContact O-CA 3.2Å; T618-M627 HydrophobicContact CG2-CG 4.11Å; M627-M629 HydrophobicContact CB-CE 3.69Å; M627-M629 HydrophobicContact CB-SD 4.33Å; M627-M629 HydrophobicContact CE-CE 4.43Å; M627-F637 CarbonylContact O-C 3.55Å; M627-F637 WeakPolarHBondContact O-CA 3.19Å; M627-V638 HydrophobicContact CB-CB 4.39Å; M627-V638 HydrophobicContact CE-CB 3.95Å; M627-V638 HydrophobicContact CE-CG1 3.66Å; M627-V638 PolarHBondContact N-O 3.45Å; M627-V638 PolarHBondContact O-N 2.87Å
628L92.7Very high86.7Confident0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-95.6127.7171.1-175.766.5000108.7P615 K616 V617 F637 C708 R709 E712P615-L628 CarbonylContact C-O 3.6Å; P615-L628 WeakPolarHBondContact CA-O 3.44Å; K616-L628 HydrophobicContact CD-CD2 4.49Å; K616-L628 VanDerWaalsContact CE-CD2 3.43Å; K616-L628 VanDerWaalsContact CE-CG 3.48Å; K616-L628 HydrophobicContact CG-CB 4.45Å; K616-L628 HydrophobicContact CG-CD2 4.44Å; K616-L628 HydrophobicContact CG-CG 4.24Å; K616-L628 VanDerWaalsContact CG-O 3.26Å; K616-L628 WeakPolarHBondContact CG-O 3.2Å; K616-L628 PolarHBondContact N-O 2.81Å; V617-L628 HydrophobicContact CB-CB 4.11Å; V617-L628 HydrophobicContact CG2-CD2 4.42Å; V617-L628 PolarHBondContact N-O 2.83Å; V617-L628 PolarHBondContact O-N 3.16Å; L628-F637 HydrophobicContact CB-CD2 4.02Å; L628-F637 HydrophobicContact CB-CE2 4.4Å; L628-F637 HydrophobicContact CD1-CB 4.44Å; L628-F637 HydrophobicContact CD1-CD2 3.97Å; L628-C708 HydrophobicContact CB-CB 4.23Å; L628-C708 HydrophobicContact CD2-CB 4.23Å; L628-R709 HydrophobicContact CD1-CG 4.48Å; L628-R709 HydrophobicContact CD2-CG 4.08Å; L628-E712 HydrophobicContact CD2-CB 4.38Å
629M92.2Very high86.6Confident13 Ų1329.9 Ų29.96%0.06416%0.161CC..EExtended strand (participates in β ladder)trans-95.8162.5-170.8-51.8-56.4-179.900113.6A612 T614 P615 K616 M627 N631 D636 V638A612-M629 WeakPolarHBondContact O-CG 3.27Å; T614-M629 WeakPolarHBondContact O-CA 3.48Å; P615-M629 HydrophobicContact CB-SD 4.08Å; P615-M629 HydrophobicContact CG-SD 3.89Å; K616-M629 VanDerWaalsContact CE-O 3.22Å; K616-M629 WeakPolarHBondContact CE-O 3.5Å; M627-M629 HydrophobicContact CB-CE 3.69Å; M627-M629 HydrophobicContact CB-SD 4.33Å; M627-M629 HydrophobicContact CE-CE 4.43Å; M629-N631 VanDerWaalsContact C-N 3.34Å; M629-N631 PolarHBondContact O-N 2.9Å; M629-D636 HydrophobicContact CB-CB 4.17Å; M629-D636 WeakPolarHBondContact CB-O 3.5Å; M629-D636 HydrophobicContact CG-CB 3.97Å; M629-D636 WeakPolarHBondContact CG-O 3.23Å; M629-D636 PolarHBondContact N-O 2.91Å; M629-V638 HydrophobicContact CE-CB 3.87Å; M629-V638 HydrophobicContact CE-CG2 3.47Å; M629-V638 VanDerWaalsContact CE-CG2 3.47Å
630E89Confident86.5Confident9 Ų931 Ų314%0.04217%0.165CC..SBendtrans-75.9-7.9-178-82.4-70.3169.300115R477 R611 T614 K616 G632R477-E630 VanDerWaalsContact CD-OE1 3.31Å; R477-E630 WeakPolarHBondContact CD-OE1 3.4Å; R611-E630 HydrophobicContact CB-CB 4.07Å; R611-E630 HydrophobicContact CG-CB 4.39Å; R611-E630 VanDerWaalsContact CZ-O 3.26Å; R611-E630 IonicContact CZ-OE2 3.72Å; R611-E630 PolarHBondContact NE-O 3.2Å; R611-E630 PolarHBondContact NH2-O 2.82Å; R611-E630 IonicContact NH2-OE2 2.64Å; R611-E630 PolarHBondContact NH2-OE2 2.85Å; R611-E630 PolarHBondContact O-N 2.88Å; T614-E630 HydrophobicContact CG2-CG 4.09Å; T614-E630 PolarHBondContact O-N 2.85Å; K616-E630 HydrophobicContact CB-CG 4.04Å; K616-E630 WeakPolarHBondContact CB-OE1 3.32Å; E630-G632 PolarHBondContact O-N 2.85Å
631N82.8Confident86.3Confident22 Ų2229.1 Ų29.112%0.11816%0.158CC..SBendtrans-74.720.2-170.667.7-40.6000116.6R611 A612 M629 D636R611-N631 HydrophobicContact CB-CB 4.16Å; R611-N631 PolarHBondContact O-N 3.19Å; A612-N631 HydrophobicContact CB-CB 4Å; M629-N631 VanDerWaalsContact C-N 3.34Å; M629-N631 PolarHBondContact O-N 2.9Å; N631-D636 PolarHBondContact ND2-OD1 2.77Å; N631-D636 PolarHBondContact ND2-OD2 2.84Å; N631-D636 PolarHBondContact OD1-N 2.79Å
632G70.8Confident86Confident16 Ų1628.8 Ų28.817%0.16516%0.155CC..SBendtrans153.8176.3170.900000113.5K616 E630 S634 G635K616-G632 PolarHBondContact NZ-O 3.27Å; E630-G632 PolarHBondContact O-N 2.85Å; G632-S634 VanDerWaalsContact C-N 3.28Å; G632-S634 PolarHBondContact O-N 3.3Å; G632-G635 PolarHBondContact O-N 3.16Å
633P67.2Low85.6Confident97 Ų9730 Ų3063%0.6316%0.162SC*.SBendtrans-68.7-25.417825.7-32.5000113.1R709P633-R709 PolarHBondContact O-NH2 3.05Å; P633-R709 VanDerWaalsContact O-NH2 3.08Å
634S74.5Confident85Confident30 Ų3027.2 Ų27.221%0.2115%0.152CC..SBendtrans-84-30.3169.353.70000112.7G632 S652 R705G632-S634 VanDerWaalsContact C-N 3.28Å; G632-S634 PolarHBondContact O-N 3.3Å; S634-S652 WeakPolarHBondContact OG-CB 3.13Å; S634-R705 PolarHBondContact O-NH2 2.77Å; S634-R705 VanDerWaalsContact O-NH2 3.14Å
635G81.2Confident84.4Confident0 Ų028.4 Ų28.40%016%0.164CC..  trans57.4147.5-177.700000113.8G632 R705G632-G635 PolarHBondContact O-N 3.16Å; G635-R705 PolarHBondContact O-NH2 2.87Å
636D89.1Confident83.7Confident21 Ų2126 Ų2611%0.11215%0.153CC..  trans-65.7145.9158.6-69.87.4000108.2M629 N631 L649 C650 T651 S652M629-D636 HydrophobicContact CB-CB 4.17Å; M629-D636 WeakPolarHBondContact CB-O 3.5Å; M629-D636 HydrophobicContact CG-CB 3.97Å; M629-D636 WeakPolarHBondContact CG-O 3.23Å; M629-D636 PolarHBondContact N-O 2.91Å; N631-D636 PolarHBondContact ND2-OD1 2.77Å; N631-D636 PolarHBondContact ND2-OD2 2.84Å; N631-D636 PolarHBondContact OD1-N 2.79Å; D636-L649 HydrophobicContact CB-CD1 4.3Å; D636-C650 CarbonylContact C-O 3.45Å; D636-T651 WeakPolarHBondContact OD1-CA 3.42Å; D636-S652 WeakPolarHBondContact OD1-CB 3.49Å; D636-S652 PolarHBondContact OD1-N 3.03Å; D636-S652 PolarHBondContact OD1-OG 2.75Å
637F92.5Very high83.4Confident0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-130.1118.1-177.3-171.9-107.9000109.5C626 M627 L628 T639 L649 C650 V701 C704 R705 C708C626-F637 HydrophobicContact CB-CE2 3.93Å; C626-F637 HydrophobicContact CB-CZ 3.57Å; M627-F637 CarbonylContact O-C 3.55Å; M627-F637 WeakPolarHBondContact O-CA 3.19Å; L628-F637 HydrophobicContact CB-CD2 4.02Å; L628-F637 HydrophobicContact CB-CE2 4.4Å; L628-F637 HydrophobicContact CD1-CB 4.44Å; L628-F637 HydrophobicContact CD1-CD2 3.97Å; F637-T639 HydrophobicContact CD1-CG2 3.87Å; F637-T639 HydrophobicContact CE1-CG2 3.26Å; F637-T639 HydrophobicContact CZ-CG2 3.92Å; F637-L649 CarbonylContact O-C 3.54Å; F637-L649 WeakPolarHBondContact O-CA 3.49Å; F637-C650 HydrophobicContact CB-CB 4.28Å; F637-C650 PolarHBondContact N-O 3Å; F637-C650 PolarHBondContact O-N 3.41Å; F637-V701 HydrophobicContact CD1-CG1 4.13Å; F637-V701 HydrophobicContact CE1-CG1 4.09Å; F637-V701 WeakPolarHBondContact CE1-O 3.36Å; F637-C704 HydrophobicContact CE1-CB 4.22Å; F637-C704 HydrophobicContact CZ-CB 3.98Å; F637-R705 HydrophobicContact CB-CG 4Å; F637-R705 HydrophobicContact CD1-CB 3.65Å; F637-R705 HydrophobicContact CD1-CG 3.97Å; F637-R705 HydrophobicContact CD2-CB 4.21Å; F637-R705 HydrophobicContact CD2-CG 4.01Å; F637-R705 HydrophobicContact CE1-CB 3.67Å; F637-R705 HydrophobicContact CE1-CG 4.41Å; F637-R705 HydrophobicContact CE2-CB 4.26Å; F637-R705 HydrophobicContact CE2-CG 4.48Å; F637-R705 HydrophobicContact CG-CB 3.91Å; F637-R705 HydrophobicContact CG-CG 3.72Å; F637-R705 VanDerWaalsContact CZ-CA 3.44Å; F637-R705 HydrophobicContact CZ-CB 3.99Å; F637-C708 HydrophobicContact CE2-CB 3.93Å
638V91.4Very high83Confident28 Ų2831 Ų3117%0.1717%0.171CC..EExtended strand (participates in β ladder)trans-111.5128-179.5178.60000108.8C626 M627 M629 V648 L649C626-V638 CarbonylContact C-O 3.57Å; C626-V638 WeakPolarHBondContact CA-O 3.41Å; M627-V638 HydrophobicContact CB-CB 4.39Å; M627-V638 HydrophobicContact CE-CB 3.95Å; M627-V638 HydrophobicContact CE-CG1 3.66Å; M627-V638 PolarHBondContact N-O 3.45Å; M627-V638 PolarHBondContact O-N 2.87Å; M629-V638 HydrophobicContact CE-CB 3.87Å; M629-V638 HydrophobicContact CE-CG2 3.47Å; M629-V638 VanDerWaalsContact CE-CG2 3.47Å; V638-V648 CarbonylContact C-O 3.46Å; V638-V648 WeakPolarHBondContact CA-O 3.35Å; V638-L649 HydrophobicContact CG2-CD1 3.54Å
639T90.7Very high82.8Confident0 Ų033.6 Ų33.60%018%0.184CC..EExtended strand (participates in β ladder)trans-114.9144.5167.367.50000110.6K625 C626 F637 R647 V648 V701K625-T639 CarbonylContact O-C 3.47Å; K625-T639 VanDerWaalsContact O-CA 3.25Å; K625-T639 WeakPolarHBondContact O-CA 3.25Å; C626-T639 HydrophobicContact CB-CG2 4.42Å; F637-T639 HydrophobicContact CD1-CG2 3.87Å; F637-T639 HydrophobicContact CE1-CG2 3.26Å; F637-T639 HydrophobicContact CZ-CG2 3.92Å; T639-R647 CarbonylContact O-C 3.54Å; T639-R647 VanDerWaalsContact O-CA 3.22Å; T639-R647 WeakPolarHBondContact O-CA 3.42Å; T639-V648 PolarHBondContact N-O 3.04Å; T639-V648 PolarHBondContact O-N 3.34Å; T639-V648 WeakPolarHBondContact OG1-CB 3.19Å; T639-V701 HydrophobicContact CG2-CB 4.44Å; T639-V701 HydrophobicContact CG2-CG1 3.83Å; T639-V701 HydrophobicContact CG2-CG2 4.09Å; T639-V701 WeakPolarHBondContact OG1-CG2 3.48Å
640E89.1Confident82.5Confident39 Ų3933 Ų3318%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-130.3114.4175178.9170.8-148.500108.2V624 K625 T646 R647V624-E640 CarbonylContact C-O 3.59Å; V624-E640 VanDerWaalsContact CA-O 3.27Å; V624-E640 WeakPolarHBondContact CA-O 3.49Å; K625-E640 HydrophobicContact CB-CB 4.41Å; K625-E640 PolarHBondContact N-O 2.75Å; K625-E640 PolarHBondContact O-N 3.28Å; E640-T646 CarbonylContact C-O 3.58Å; E640-T646 WeakPolarHBondContact CA-O 3.48Å; E640-R647 HydrophobicContact CB-CG 4.19Å; E640-R647 HydrophobicContact CG-CG 4.04Å; E640-R647 IonicContact OE1-CZ 3.6Å; E640-R647 VanDerWaalsContact OE1-CZ 3.29Å; E640-R647 IonicContact OE1-NE 3.74Å; E640-R647 PolarHBondContact OE1-NE 3.23Å; E640-R647 IonicContact OE1-NH2 2.63Å; E640-R647 PolarHBondContact OE1-NH2 3.45Å; E640-R647 IonicContact OE2-NH2 3.7Å
641F86.5Confident82.1Confident14 Ų1433.1 Ų33.16%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-77.4131.7-178.4-76.7-99.1000110.7K623 V624 N643 D644 G645 T646 V648 L697 Y700 V701K623-F641 WeakPolarHBondContact O-CA 3.29Å; V624-F641 HydrophobicContact CG1-CB 4.27Å; V624-F641 HydrophobicContact CG1-CD1 3.27Å; V624-F641 HydrophobicContact CG1-CD2 3.66Å; V624-F641 HydrophobicContact CG1-CE1 3.25Å; V624-F641 HydrophobicContact CG1-CE2 3.65Å; V624-F641 HydrophobicContact CG1-CG 3.47Å; V624-F641 VanDerWaalsContact CG1-CG 3.47Å; V624-F641 HydrophobicContact CG1-CZ 3.43Å; V624-F641 VanDerWaalsContact CG1-CZ 3.43Å; F641-N643 WeakPolarHBondContact CB-OD1 3.48Å; F641-N643 PolarHBondContact O-N 3.18Å; F641-D644 WeakPolarHBondContact CB-OD1 3.31Å; F641-G645 VanDerWaalsContact O-CA 3.25Å; F641-G645 WeakPolarHBondContact O-CA 3.23Å; F641-G645 PolarHBondContact O-N 2.72Å; F641-G645 VanDerWaalsContact O-N 3.07Å; F641-T646 HydrophobicContact CD2-CG2 4.18Å; F641-T646 WeakPolarHBondContact CD2-O 3.34Å; F641-T646 PolarHBondContact N-O 3.16Å; F641-V648 HydrophobicContact CE2-CG2 3.99Å; F641-L697 HydrophobicContact CD1-CD1 4.07Å; F641-L697 HydrophobicContact CD2-CD1 4.28Å; F641-L697 HydrophobicContact CE1-CD1 3.37Å; F641-L697 HydrophobicContact CE1-CG 4.5Å; F641-L697 HydrophobicContact CE2-CD1 3.62Å; F641-L697 HydrophobicContact CE2-CG 4.11Å; F641-L697 HydrophobicContact CG-CD1 4.49Å; F641-L697 HydrophobicContact CZ-CD1 3.12Å; F641-L697 HydrophobicContact CZ-CG 3.82Å; F641-Y700 HydrophobicContact CE1-CD1 4.18Å; F641-Y700 HydrophobicContact CE1-CE1 4.36Å; F641-Y700 HydrophobicContact CZ-CD1 4.13Å; F641-V701 HydrophobicContact CE2-CG2 3.9Å; F641-V701 HydrophobicContact CZ-CG2 3.91Å
642H82Confident81.7Confident17 Ų1733.2 Ų33.28%0.07919%0.185CC..THydrogen-bonded Turntrans-72.7-28.1-173.6-58.7-52.7000113.3T621 K623 V624 P741T621-H642 PolarHBondContact O-NE2 3.3Å; K623-H642 PolarHBondContact O-CD2 3.25Å; K623-H642 VanDerWaalsContact O-CD2 3.3Å; K623-H642 PolarHBondContact O-N 3.28Å; V624-H642 VanDerWaalsContact C-NE2 3.29Å; V624-H642 PolarHBondContact N-CD2 2.87Å; V624-H642 PolarHBondContact N-NE2 2.7Å; V624-H642 PolarHBondContact O-NE2 3.42Å; H642-P741 HydrophobicContact CB-CG 4.19Å; H642-P741 WeakPolarHBondContact CD2-CG 3.42Å; H642-P741 WeakPolarHBondContact NE2-CD 3.28Å
643N75.6Confident81.7Confident130 Ų13034.8 Ų34.870%0.69519%0.19SC*.THydrogen-bonded Turntrans-78.8-39.7-17261-30.3000113.8F641F641-N643 WeakPolarHBondContact CB-OD1 3.48Å; F641-N643 PolarHBondContact O-N 3.18Å
644D71.4Confident81.9Confident55 Ų5531.3 Ų31.329%0.29417%0.172SC..THydrogen-bonded Turntrans-129.71.9-17366.4-2.8000113.2F641 T646 T661F641-D644 WeakPolarHBondContact CB-OD1 3.31Å; D644-T646 PolarHBondContact O-N 2.95Å; D644-T646 WeakPolarHBondContact OD1-CB 3.22Å; D644-T646 PolarHBondContact OD1-N 3.16Å; D644-T646 PolarHBondContact OD1-OG1 2.97Å; D644-T646 PolarHBondContact OD2-OG1 3.12Å; D644-T661 CarbonylContact O-C 3.53Å; D644-T661 PolarHBondContact O-OG1 2.85Å; D644-T661 VanDerWaalsContact O-OG1 3.06Å
645G75.5Confident81.7Confident24 Ų2430.4 Ų30.425%0.24717%0.165CC..  trans66.412.8-17600000113.8F641 R647 T661F641-G645 VanDerWaalsContact O-CA 3.25Å; F641-G645 WeakPolarHBondContact O-CA 3.23Å; F641-G645 PolarHBondContact O-N 2.72Å; F641-G645 VanDerWaalsContact O-N 3.07Å; G645-R647 PolarHBondContact O-N 2.87Å; G645-T661 PolarHBondContact O-OG1 3.42Å
646T77.5Confident81.4Confident0 Ų030.6 Ų30.60%017%0.166CC..  trans-57126176.3-71.10000109.3E640 F641 D644 V648 I658 S659 Q660 L697E640-T646 CarbonylContact C-O 3.58Å; E640-T646 WeakPolarHBondContact CA-O 3.48Å; F641-T646 HydrophobicContact CD2-CG2 4.18Å; F641-T646 WeakPolarHBondContact CD2-O 3.34Å; F641-T646 PolarHBondContact N-O 3.16Å; D644-T646 PolarHBondContact O-N 2.95Å; D644-T646 WeakPolarHBondContact OD1-CB 3.22Å; D644-T646 PolarHBondContact OD1-N 3.16Å; D644-T646 PolarHBondContact OD1-OG1 2.97Å; D644-T646 PolarHBondContact OD2-OG1 3.12Å; T646-V648 HydrophobicContact CG2-CG2 4.29Å; T646-I658 HydrophobicContact CG2-CG2 3.7Å; T646-S659 CarbonylContact C-O 3.54Å; T646-S659 VanDerWaalsContact CA-O 3.31Å; T646-S659 WeakPolarHBondContact CA-O 3.36Å; T646-Q660 HydrophobicContact CG2-CG 3.92Å; T646-Q660 WeakPolarHBondContact OG1-CG 3.41Å; T646-L697 HydrophobicContact CG2-CD2 4.31Å
647R86.3Confident80.9Confident136 Ų13634 Ų3451%0.51318%0.177SC..EExtended strand (participates in β ladder)trans-108.3127.9176-69.5-177.2176.6-167.8-1.6110.5T639 E640 G645 I658 S659T639-R647 CarbonylContact O-C 3.54Å; T639-R647 VanDerWaalsContact O-CA 3.22Å; T639-R647 WeakPolarHBondContact O-CA 3.42Å; E640-R647 HydrophobicContact CB-CG 4.19Å; E640-R647 HydrophobicContact CG-CG 4.04Å; E640-R647 IonicContact OE1-CZ 3.6Å; E640-R647 VanDerWaalsContact OE1-CZ 3.29Å; E640-R647 IonicContact OE1-NE 3.74Å; E640-R647 PolarHBondContact OE1-NE 3.23Å; E640-R647 IonicContact OE1-NH2 2.63Å; E640-R647 PolarHBondContact OE1-NH2 3.45Å; E640-R647 IonicContact OE2-NH2 3.7Å; G645-R647 PolarHBondContact O-N 2.87Å; R647-I658 CarbonylContact O-C 3.51Å; R647-I658 WeakPolarHBondContact O-CA 3.3Å; R647-S659 PolarHBondContact N-O 3.34Å; R647-S659 PolarHBondContact O-N 2.74Å
648V85.9Confident80.3Confident0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-115.4118.3173.1-170.70000109.2V638 T639 F641 T646 L656 R657 I658 L697 V701V638-V648 CarbonylContact C-O 3.46Å; V638-V648 WeakPolarHBondContact CA-O 3.35Å; T639-V648 PolarHBondContact N-O 3.04Å; T639-V648 PolarHBondContact O-N 3.34Å; T639-V648 WeakPolarHBondContact OG1-CB 3.19Å; F641-V648 HydrophobicContact CE2-CG2 3.99Å; T646-V648 HydrophobicContact CG2-CG2 4.29Å; V648-L656 HydrophobicContact CG1-CD1 4.25Å; V648-L656 HydrophobicContact CG1-CD2 3.85Å; V648-L656 HydrophobicContact CG1-CG 3.9Å; V648-R657 CarbonylContact C-O 3.57Å; V648-R657 VanDerWaalsContact CA-O 3.26Å; V648-R657 WeakPolarHBondContact CA-O 3.39Å; V648-I658 HydrophobicContact CG1-CG1 4.16Å; V648-I658 HydrophobicContact CG2-CG1 4.15Å; V648-I658 HydrophobicContact CG2-CG2 4.22Å; V648-L697 HydrophobicContact CG2-CD2 4.24Å; V648-V701 HydrophobicContact CB-CG1 4.45Å; V648-V701 HydrophobicContact CB-CG2 4.2Å; V648-V701 HydrophobicContact CG1-CG1 4.16Å; V648-V701 HydrophobicContact CG1-CG2 4.43Å; V648-V701 HydrophobicContact CG2-CG2 4.17Å
649L87.3Confident79.4Confident55 Ų5534.6 Ų34.629%0.28818%0.183SC..EExtended strand (participates in β ladder)trans-104115.1171.7167.366.6000108.6D636 F637 V638 T651 L656 R657D636-L649 HydrophobicContact CB-CD1 4.3Å; F637-L649 CarbonylContact O-C 3.54Å; F637-L649 WeakPolarHBondContact O-CA 3.49Å; V638-L649 HydrophobicContact CG2-CD1 3.54Å; L649-T651 HydrophobicContact CD1-CG2 4.36Å; L649-T651 HydrophobicContact CD2-CG2 4.16Å; L649-T651 HydrophobicContact CG-CG2 4.06Å; L649-L656 CarbonylContact O-C 3.53Å; L649-L656 VanDerWaalsContact O-CA 3.29Å; L649-L656 WeakPolarHBondContact O-CA 3.42Å; L649-R657 HydrophobicContact CB-CB 4.34Å; L649-R657 PolarHBondContact N-O 3.34Å; L649-R657 PolarHBondContact O-N 2.91Å
650C86.3Confident78.2Confident1 Ų137.3 Ų37.31%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-102.3105.8167.6-590000108D636 F637 S655D636-C650 CarbonylContact C-O 3.45Å; F637-C650 HydrophobicContact CB-CB 4.28Å; F637-C650 PolarHBondContact N-O 3Å; F637-C650 PolarHBondContact O-N 3.41Å; C650-S655 CarbonylContact C-O 3.6Å; C650-S655 WeakPolarHBondContact CA-O 3.46Å
651T81.5Confident76.5Confident10 Ų1037 Ų376%0.06120%0.196CC..  trans-73.2164.5178.859.40000111.1D636 L649 D653 G654 S655D636-T651 WeakPolarHBondContact OD1-CA 3.42Å; L649-T651 HydrophobicContact CD1-CG2 4.36Å; L649-T651 HydrophobicContact CD2-CG2 4.16Å; L649-T651 HydrophobicContact CG-CG2 4.06Å; T651-D653 PolarHBondContact O-N 2.92Å; T651-D653 PolarHBondContact OG1-OD1 3.14Å; T651-G654 PolarHBondContact O-N 3.07Å; T651-S655 PolarHBondContact N-O 3.22Å; T651-S655 PolarHBondContact OG1-N 2.85Å; T651-S655 VanDerWaalsContact OG1-N 3.12Å; T651-S655 PolarHBondContact OG1-O 2.75Å; T651-S655 VanDerWaalsContact OG1-O 3.09Å; T651-S655 PolarHBondContact OG1-OG 3.07Å
652S74.1Confident74.5Confident25 Ų2540.2 Ų40.218%0.17522%0.217CC..THydrogen-bonded Turntrans-61.9-22.1173.748.70000113.7S634 D636 G654S634-S652 WeakPolarHBondContact OG-CB 3.13Å; D636-S652 WeakPolarHBondContact OD1-CB 3.49Å; D636-S652 PolarHBondContact OD1-N 3.03Å; D636-S652 PolarHBondContact OD1-OG 2.75Å; S652-G654 VanDerWaalsContact C-N 3.32Å
653D70.7Confident72.5Confident49 Ų4946.4 Ų46.426%0.26225%0.246SC..THydrogen-bonded Turntrans-85.1-1.3173.775.29.8000114.2T651 S655 S683T651-D653 PolarHBondContact O-N 2.92Å; T651-D653 PolarHBondContact OG1-OD1 3.14Å; D653-S655 WeakPolarHBondContact OD1-CB 2.95Å; D653-S655 PolarHBondContact OD1-N 2.81Å; D653-S655 PolarHBondContact OD1-OG 3.12Å; D653-S683 PolarHBondContact O-OG 3.48Å; D653-S683 VanDerWaalsContact O-OG 3.09Å
654G70.1Confident70.4Confident24 Ų2448.6 Ų48.625%0.24725%0.252CS..SBendtrans84.35.6178.900000114.8T651 S652 S683T651-G654 PolarHBondContact O-N 3.07Å; S652-G654 VanDerWaalsContact C-N 3.32Å; G654-S683 WeakPolarHBondContact O-CB 3.34Å
655S70.4Confident68.5Low11 Ų1151.2 Ų51.28%0.07727%0.266CS..  trans-70.8142.1167.254.20000111.3C650 T651 D653 L681C650-S655 CarbonylContact C-O 3.6Å; C650-S655 WeakPolarHBondContact CA-O 3.46Å; T651-S655 PolarHBondContact N-O 3.22Å; T651-S655 PolarHBondContact OG1-N 2.85Å; T651-S655 VanDerWaalsContact OG1-N 3.12Å; T651-S655 PolarHBondContact OG1-O 2.75Å; T651-S655 VanDerWaalsContact OG1-O 3.09Å; T651-S655 PolarHBondContact OG1-OG 3.07Å; D653-S655 WeakPolarHBondContact OD1-CB 2.95Å; D653-S655 PolarHBondContact OD1-N 2.81Å; D653-S655 PolarHBondContact OD1-OG 3.12Å; S655-L681 WeakPolarHBondContact CA-O 3.39Å
656L76.6Confident66.5Low4 Ų456.8 Ų56.82%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-122.8129.2-176.6-170.5152.1000109V648 L649 I658 T680 L681 I698 Y702V648-L656 HydrophobicContact CG1-CD1 4.25Å; V648-L656 HydrophobicContact CG1-CD2 3.85Å; V648-L656 HydrophobicContact CG1-CG 3.9Å; L649-L656 CarbonylContact O-C 3.53Å; L649-L656 VanDerWaalsContact O-CA 3.29Å; L649-L656 WeakPolarHBondContact O-CA 3.42Å; L656-I658 HydrophobicContact CD2-CD1 3.79Å; L656-I658 HydrophobicContact CD2-CG1 3.37Å; L656-T680 CarbonylContact O-C 3.46Å; L656-T680 WeakPolarHBondContact O-CA 3.5Å; L656-L681 HydrophobicContact CB-CB 4.33Å; L656-L681 HydrophobicContact CD2-CD1 4.22Å; L656-L681 PolarHBondContact N-O 3.27Å; L656-L681 PolarHBondContact O-N 3.16Å; L656-I698 HydrophobicContact CD1-CB 4.48Å; L656-I698 HydrophobicContact CD1-CD1 4.23Å; L656-I698 HydrophobicContact CD1-CG1 3.94Å; L656-I698 HydrophobicContact CD1-CG2 3.85Å; L656-I698 HydrophobicContact CD2-CD1 4.23Å; L656-I698 HydrophobicContact CD2-CG1 4.26Å; L656-Y702 HydrophobicContact CD1-CE2 4.47Å
657R77.4Confident64.3Low92 Ų9261.5 Ų61.535%0.34732%0.323SS..EExtended strand (participates in β ladder)trans-126.2116.3178-169.9-175.3-153.5-1793.6109.9V648 L649 T678 I679V648-R657 CarbonylContact C-O 3.57Å; V648-R657 VanDerWaalsContact CA-O 3.26Å; V648-R657 WeakPolarHBondContact CA-O 3.39Å; L649-R657 HydrophobicContact CB-CB 4.34Å; L649-R657 PolarHBondContact N-O 3.34Å; L649-R657 PolarHBondContact O-N 2.91Å; R657-T678 HydrophobicContact CG-CG2 3.9Å; R657-I679 CarbonylContact C-O 3.47Å; R657-I679 WeakPolarHBondContact CA-O 3.48Å
658I79.4Confident61.6Low1 Ų162.4 Ų62.41%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-101.8127.8174.7-50.3177000107.8T646 R647 V648 L656 Q660 T678 I679 I694 L697 I698T646-I658 HydrophobicContact CG2-CG2 3.7Å; R647-I658 CarbonylContact O-C 3.51Å; R647-I658 WeakPolarHBondContact O-CA 3.3Å; V648-I658 HydrophobicContact CG1-CG1 4.16Å; V648-I658 HydrophobicContact CG2-CG1 4.15Å; V648-I658 HydrophobicContact CG2-CG2 4.22Å; L656-I658 HydrophobicContact CD2-CD1 3.79Å; L656-I658 HydrophobicContact CD2-CG1 3.37Å; I658-Q660 HydrophobicContact CG2-CG 4.08Å; I658-T678 CarbonylContact O-C 3.56Å; I658-T678 WeakPolarHBondContact O-CA 3.48Å; I658-I679 HydrophobicContact CB-CB 4.3Å; I658-I679 PolarHBondContact N-O 2.87Å; I658-I679 PolarHBondContact O-N 3.21Å; I658-I694 HydrophobicContact CD1-CG2 3.68Å; I658-L697 HydrophobicContact CD1-CD2 4.32Å; I658-L697 HydrophobicContact CG2-CD2 4.32Å; I658-I698 HydrophobicContact CD1-CD1 4.22Å; I658-I698 HydrophobicContact CD1-CG1 4.18Å
659S73.9Confident58.9Low39 Ų3971.6 Ų71.627%0.27338%0.378SS..EExtended strand (participates in β ladder)trans-125.1113.7176-49.50000108.5T646 R647T646-S659 CarbonylContact C-O 3.54Å; T646-S659 VanDerWaalsContact CA-O 3.31Å; T646-S659 WeakPolarHBondContact CA-O 3.36Å; R647-S659 PolarHBondContact N-O 3.34Å; R647-S659 PolarHBondContact O-N 2.74Å
660Q65.5Low56.2Low58 Ų5875 Ų7527%0.27140%0.4SS..EExtended strand (participates in β ladder)trans-103.2141.8-177.9-57.1-169.5-47.500111.7T646 I658 T677T646-Q660 HydrophobicContact CG2-CG 3.92Å; T646-Q660 WeakPolarHBondContact OG1-CG 3.41Å; I658-Q660 HydrophobicContact CG2-CG 4.08Å; Q660-T677 PolarHBondContact N-O 2.68Å
661T51.9Low53.4Low32 Ų3284.9 Ų84.920%0.19644%0.443CS..  trans-12784.4178.735.30000110.6D644 G645 E663D644-T661 CarbonylContact O-C 3.53Å; D644-T661 PolarHBondContact O-OG1 2.85Å; D644-T661 VanDerWaalsContact O-OG1 3.06Å; G645-T661 PolarHBondContact O-OG1 3.42Å; T661-E663 PolarHBondContact O-N 3.1Å
662T45.5Very low51Low81 Ų8192 Ų9250%0.49748%0.476SS..  trans-67.1108.1177.237.60000111.5I674T662-I674 WeakPolarHBondContact OG1-CG2 3.31Å
663E39.3Very low49.1Very low147 Ų14797 Ų9769%0.68750%0.5SS*.  trans-100.3103.7162.9-75.5176.5-165.100107.8R54 T661 N665R54-E663 IonicContact CZ-OE1 3.02Å; R54-E663 IonicContact NH1-OE1 2.78Å; R54-E663 IonicContact NH2-OE1 3.82Å; R54-E663 PolarHBondContact NH2-OE1 2.87Å; T661-E663 PolarHBondContact O-N 3.1Å; E663-N665 PolarHBondContact O-N 2.86Å
664Q33Very low47.6Very low176 Ų17698.8 Ų98.882%0.82251%0.509SS*.  trans-79.3102.5173.7-80.3-173.1-5.200110.1N666Q664-N666 PolarHBondContact O-N 3.4Å
665N31.1Very low46.1Very low110 Ų110101.1 Ų101.159%0.58852%0.519SS*.  trans-75.5106151.3-88.3-20000108.5E663 F745E663-N665 PolarHBondContact O-N 2.86Å; N665-F745 WeakPolarHBondContact ND2-CE1 3.47Å; N665-F745 WeakPolarHBondContact ND2-CZ 3.45Å
666N33Very low44.7Very low141 Ų141103.6 Ų103.675%0.75453%0.534SS*.  157.9122.5129.1-84-17.6000112.8Q664Q664-N666 PolarHBondContact O-N 3.4Å
667S30.8Very low43.6Very low100 Ų100106.9 Ų106.970%0.69955%0.554SS**  trans72.2105141.5-51.10000119
668L29.9Very low42.7Very low155 Ų155104.8 Ų104.881%0.81255%0.552SS**SBendtrans63.3108.2144.8-69.8143.1000117.7
669K28.7Very low41.9Very low193 Ų193106.2 Ų106.284%0.83956%0.559SS**SBendtrans63.793.4152.6-59.8-179177.7-179.70115.9
670V30.6Very low41.2Very low125 Ų125105.5 Ų105.576%0.75855%0.554SS**  165.6115127.7165.10000106.5E672V670-E672 HydrophobicContact CG1-CB 4.45Å; V670-E672 HydrophobicContact CG1-CG 4.1Å; V670-E672 PolarHBondContact O-N 3.39Å
671K27.7Very low40.8Very low210 Ų210103.7 Ų103.791%0.91355%0.545SS*.  trans-90.390.8179.6-87.2177.5171.9169.10108.8
672E31.5Very low41.1Very low160 Ų160103 Ų10375%0.74854%0.541SS*.  trans-137.1123.3170.7-69.9-173.2168.600112.2V670V670-E672 HydrophobicContact CG1-CB 4.45Å; V670-E672 HydrophobicContact CG1-CG 4.1Å; V670-E672 PolarHBondContact O-N 3.39Å
673N34.2Very low41.4Very low128 Ų128102.1 Ų102.168%0.68454%0.538SS*.  trans35.999.9154.4-63.1-25.3000120.8
674I39.7Very low41.7Very low87 Ų87101.1 Ų101.145%0.44654%0.537SS..  trans-111.7117.4165.8-53.9172.9000109.7N57 T662N57-I674 PolarHBondContact ND2-O 2.92Å; T662-I674 WeakPolarHBondContact OG1-CG2 3.31Å
675T37.6Very low42.4Very low74 Ų7496.5 Ų96.545%0.45451%0.512SS..PPolyproline II helixtrans-103.9129.517336.70000111.1T677T675-T677 PolarHBondContact O-N 3.5Å
676P42.1Very low43.2Very low62 Ų6294.9 Ų94.940%0.40351%0.51SS..PPolyproline II helixtrans-69.4130.8176.426.7-31.9000111.2
677T52Low44.3Very low73 Ų7391.8 Ų91.845%0.44849%0.493SS..EExtended strand (participates in β ladder)trans-93.1119.6179.7-42.20000109.1Q660 T675 I679Q660-T677 PolarHBondContact N-O 2.68Å; T675-T677 PolarHBondContact O-N 3.5Å; T677-I679 HydrophobicContact CG2-CG1 4.44Å
678T59.6Low45.3Very low49 Ų4991 Ų9130%0.30149%0.487SS..EExtended strand (participates in β ladder)trans-112.2122.8170.4-55.40000109.5R657 I658R657-T678 HydrophobicContact CG-CG2 3.9Å; I658-T678 CarbonylContact O-C 3.56Å; I658-T678 WeakPolarHBondContact O-CA 3.48Å
679I61.6Low46.4Very low30 Ų3089.7 Ų89.715%0.15449%0.486CS..EExtended strand (participates in β ladder)trans-108.1124.5175.4-55.2174.8000107.1R657 I658 T677 L681 I694R657-I679 CarbonylContact C-O 3.47Å; R657-I679 WeakPolarHBondContact CA-O 3.48Å; I658-I679 HydrophobicContact CB-CB 4.3Å; I658-I679 PolarHBondContact N-O 2.87Å; I658-I679 PolarHBondContact O-N 3.21Å; T677-I679 HydrophobicContact CG2-CG1 4.44Å; I679-L681 HydrophobicContact CG2-CG 4.23Å; I679-I694 HydrophobicContact CD1-CD1 3.62Å
680T60.6Low48Very low25 Ų2581.5 Ų81.515%0.15345%0.451CS..EExtended strand (participates in β ladder)trans-117.1121.8175.2-50.70000108.5L656L656-T680 CarbonylContact O-C 3.46Å; L656-T680 WeakPolarHBondContact O-CA 3.5Å
681L56.4Low49.7Very low19 Ų1977.7 Ų77.710%0.09943%0.43CS..EExtended strand (participates in β ladder)trans-113.5121.6178-64.2166.1000108.8S655 L656 I679 R685 L690 I698S655-L681 WeakPolarHBondContact CA-O 3.39Å; L656-L681 HydrophobicContact CB-CB 4.33Å; L656-L681 HydrophobicContact CD2-CD1 4.22Å; L656-L681 PolarHBondContact N-O 3.27Å; L656-L681 PolarHBondContact O-N 3.16Å; I679-L681 HydrophobicContact CG2-CG 4.23Å; L681-R685 HydrophobicContact CD2-CB 4.5Å; L681-L690 HydrophobicContact CD1-CD1 3.39Å; L681-L690 HydrophobicContact CD1-CD2 4.1Å; L681-L690 HydrophobicContact CD1-CG 4.27Å; L681-L690 HydrophobicContact CD2-CD1 4.42Å; L681-L690 HydrophobicContact CD2-CD2 4.12Å; L681-I698 HydrophobicContact CD1-CD1 3.9Å
682D57.4Low51.8Low19 Ų1970.8 Ų70.810%0.10241%0.406CS..  trans-79.1139.4170.1-73.7-30000109.2R217 N684 R685R217-D682 HydrophobicContact CG-CB 4.04Å; R217-D682 VanDerWaalsContact NH1-CA 3.33Å; R217-D682 VanDerWaalsContact NH1-CB 3.3Å; R217-D682 IonicContact NH1-OD1 3.98Å; D682-N684 PolarHBondContact O-N 3.4Å; D682-R685 PolarHBondContact O-N 3.47Å
683S53Low53.6Low62 Ų6269.3 Ų69.343%0.43440%0.4SS..THydrogen-bonded Turntrans-45.8-3.9176.537.90000118.3R217 D653 G654R217-S683 VanDerWaalsContact CZ-N 3.34Å; R217-S683 PolarHBondContact NH1-OG 2.82Å; R217-S683 VanDerWaalsContact NH2-CB 3.34Å; R217-S683 PolarHBondContact NH2-OG 3.37Å; D653-S683 PolarHBondContact O-OG 3.48Å; D653-S683 VanDerWaalsContact O-OG 3.09Å; G654-S683 WeakPolarHBondContact O-CB 3.34Å
684N45.2Very low55.3Low126 Ų12664.7 Ų64.767%0.67437%0.374SS*.THydrogen-bonded Turntrans-109.4-0.4178.1-72.412.5000111.8R217 D682R217-N684 PolarHBondContact NH2-OD1 3.46Å; D682-N684 PolarHBondContact O-N 3.4Å
685R48.6Very low57Low78 Ų7864.3 Ų64.329%0.29437%0.368SS..SBendtrans-86.5130.1174.6-74.4-165.3179.6-157.91.5110.7A183 H185 L681 D682 L687A183-R685 PolarHBondContact O-NH2 3.07Å; H185-R685 PolarHBondContact CD2-NH1 3.08Å; L681-R685 HydrophobicContact CD2-CB 4.5Å; D682-R685 PolarHBondContact O-N 3.47Å; R685-L687 PolarHBondContact O-N 2.69Å
686S46.6Very low58.9Low77 Ų7768.2 Ų68.254%0.53838%0.378SS..  trans-61.6126.1170.2-177.30000110.2S688 T689S686-S688 PolarHBondContact O-N 3.04Å; S686-S688 WeakPolarHBondContact OG-CB 3.08Å; S686-S688 PolarHBondContact OG-N 3.33Å; S686-S688 PolarHBondContact OG-OG 3.07Å; S686-T689 PolarHBondContact O-OG1 2.73Å
687L57.3Low60.8Low75 Ų7566.9 Ų66.939%0.39337%0.368SS..G310 helixtrans-61.9-9.1172.1-68.9159.4000112.5R685 T689 L690 R695 I698R685-L687 PolarHBondContact O-N 2.69Å; L687-T689 PolarHBondContact O-N 2.87Å; L687-L690 HydrophobicContact CD2-CD1 3.72Å; L687-L690 PolarHBondContact O-N 2.9Å; L687-R695 WeakPolarHBondContact O-CD 3.4Å; L687-R695 PolarHBondContact O-NH1 3.19Å; L687-R695 VanDerWaalsContact O-NH1 3.13Å; L687-I698 HydrophobicContact CD2-CD1 3.86Å; L687-I698 HydrophobicContact CD2-CG2 4.19Å
688S50.5Low62.2Low83 Ų8363.4 Ų63.458%0.5835%0.346SS*.G310 helixtrans-64.8-22-178.964.70000114S686 R695S686-S688 PolarHBondContact O-N 3.04Å; S686-S688 WeakPolarHBondContact OG-CB 3.08Å; S686-S688 PolarHBondContact OG-N 3.33Å; S686-S688 PolarHBondContact OG-OG 3.07Å; S688-R695 VanDerWaalsContact CA-NH1 3.31Å; S688-R695 PolarHBondContact O-NH1 2.9Å
689T54Low63.4Low128 Ų12865.7 Ų65.779%0.78536%0.356SS*.G310 helixtrans-86.6-7.6-178.8-140000114S686 L687S686-T689 PolarHBondContact O-OG1 2.73Å; L687-T689 PolarHBondContact O-N 2.87Å
690L61.8Low64.6Low22 Ų2267.4 Ų67.412%0.11536%0.361CS..SBendtrans-83.7157-178.9-65.1168.8000111.9L681 L687 I694 R695 I698L681-L690 HydrophobicContact CD1-CD1 3.39Å; L681-L690 HydrophobicContact CD1-CD2 4.1Å; L681-L690 HydrophobicContact CD1-CG 4.27Å; L681-L690 HydrophobicContact CD2-CD1 4.42Å; L681-L690 HydrophobicContact CD2-CD2 4.12Å; L687-L690 HydrophobicContact CD2-CD1 3.72Å; L687-L690 PolarHBondContact O-N 2.9Å; L690-I694 HydrophobicContact CB-CB 4.37Å; L690-I694 HydrophobicContact CB-CG2 4.23Å; L690-I694 HydrophobicContact CD1-CG2 4.08Å; L690-I694 HydrophobicContact CD2-CG2 4.14Å; L690-I694 HydrophobicContact CG-CG2 4.38Å; L690-R695 HydrophobicContact CB-CG 4.08Å; L690-R695 PolarHBondContact O-NH1 3.5Å; L690-R695 PolarHBondContact O-NH2 3.33Å; L690-I698 HydrophobicContact CD1-CD1 3.58Å
691S67.1Low66Low44 Ų4466.2 Ų66.231%0.30835%0.354SS..  trans-61.8149.4172.592.80000110.5E693 I694 R695S691-E693 WeakPolarHBondContact CB-OE2 3.45Å; S691-E693 PolarHBondContact O-N 3.25Å; S691-E693 PolarHBondContact OG-N 3.19Å; S691-E693 PolarHBondContact OG-OE2 2.99Å; S691-I694 PolarHBondContact O-N 3.18Å; S691-I694 VanDerWaalsContact O-N 3.15Å; S691-I694 PolarHBondContact OG-N 3.16Å; S691-R695 PolarHBondContact O-N 2.79Å
692P70.8Confident67.5Low65 Ų6568.9 Ų68.942%0.42236%0.364SS..Hα-helixtrans-53-34.2174.7-24.734.1000113.5R695 K696P692-R695 PolarHBondContact O-N 2.96Å; P692-K696 WeakPolarHBondContact O-CG 3.49Å; P692-K696 PolarHBondContact O-N 3.45Å
693E69.2Low69Low130 Ų13070.8 Ų70.861%0.60738%0.382SS*.Hα-helixtrans-67.5-45.7178.4-56.369.5-145.900111.1S691 R695 K696 L697S691-E693 WeakPolarHBondContact CB-OE2 3.45Å; S691-E693 PolarHBondContact O-N 3.25Å; S691-E693 PolarHBondContact OG-N 3.19Å; S691-E693 PolarHBondContact OG-OE2 2.99Å; E693-R695 VanDerWaalsContact C-N 3.33Å; E693-R695 PolarHBondContact O-N 3.04Å; E693-K696 PolarHBondContact O-N 3.41Å; E693-L697 WeakPolarHBondContact O-CB 3.36Å; E693-L697 PolarHBondContact O-N 2.86Å
694I70.6Confident70.8Confident30 Ų3068.2 Ų68.215%0.15436%0.364CS..Hα-helixtrans-66-37.3176.9-65.3167000110.6I658 I679 L690 S691 L697 I698I658-I694 HydrophobicContact CD1-CG2 3.68Å; I679-I694 HydrophobicContact CD1-CD1 3.62Å; L690-I694 HydrophobicContact CB-CB 4.37Å; L690-I694 HydrophobicContact CB-CG2 4.23Å; L690-I694 HydrophobicContact CD1-CG2 4.08Å; L690-I694 HydrophobicContact CD2-CG2 4.14Å; L690-I694 HydrophobicContact CG-CG2 4.38Å; S691-I694 PolarHBondContact O-N 3.18Å; S691-I694 VanDerWaalsContact O-N 3.15Å; S691-I694 PolarHBondContact OG-N 3.16Å; I694-L697 WeakPolarHBondContact O-CB 3.49Å; I694-L697 PolarHBondContact O-N 2.87Å; I694-I698 HydrophobicContact CG2-CD1 3.79Å; I694-I698 HydrophobicContact CG2-CG1 4.31Å; I694-I698 WeakPolarHBondContact O-CB 3.45Å; I694-I698 VanDerWaalsContact O-CG1 3.25Å; I694-I698 WeakPolarHBondContact O-CG1 3.31Å; I694-I698 PolarHBondContact O-N 3.41Å
695R75Confident73Confident80 Ų8063.4 Ų63.430%0.30234%0.336SS..Hα-helixtrans-61.4-50174-77-173.4-82.3-115.52.5112.1L687 S688 L690 S691 P692 E693 L697 I698 D699L687-R695 WeakPolarHBondContact O-CD 3.4Å; L687-R695 PolarHBondContact O-NH1 3.19Å; L687-R695 VanDerWaalsContact O-NH1 3.13Å; S688-R695 VanDerWaalsContact CA-NH1 3.31Å; S688-R695 PolarHBondContact O-NH1 2.9Å; L690-R695 HydrophobicContact CB-CG 4.08Å; L690-R695 PolarHBondContact O-NH1 3.5Å; L690-R695 PolarHBondContact O-NH2 3.33Å; S691-R695 PolarHBondContact O-N 2.79Å; P692-R695 PolarHBondContact O-N 2.96Å; E693-R695 VanDerWaalsContact C-N 3.33Å; E693-R695 PolarHBondContact O-N 3.04Å; R695-L697 VanDerWaalsContact C-N 3.25Å; R695-L697 PolarHBondContact O-N 3.12Å; R695-I698 PolarHBondContact O-N 3.08Å; R695-I698 VanDerWaalsContact O-N 3.1Å; R695-D699 VanDerWaalsContact O-CG 3.27Å; R695-D699 PolarHBondContact O-N 3.35Å
696K78.7Confident75Confident155 Ų15563.9 Ų63.967%0.67435%0.345SS*.Hα-helixtrans-58.1-38.9175.8-73.6177-179.21790112.2P692 E693 Y700P692-K696 WeakPolarHBondContact O-CG 3.49Å; P692-K696 PolarHBondContact O-N 3.45Å; E693-K696 PolarHBondContact O-N 3.41Å; K696-Y700 WeakPolarHBondContact O-CB 3.39Å; K696-Y700 PolarHBondContact O-N 3.03Å
697L81.8Confident77.2Confident35 Ų3565 Ų6518%0.18334%0.341CS..Hα-helixtrans-60.2-50174.2-172.182.6000111.2F641 T646 V648 I658 E693 I694 R695 Y700 V701F641-L697 HydrophobicContact CD1-CD1 4.07Å; F641-L697 HydrophobicContact CD2-CD1 4.28Å; F641-L697 HydrophobicContact CE1-CD1 3.37Å; F641-L697 HydrophobicContact CE1-CG 4.5Å; F641-L697 HydrophobicContact CE2-CD1 3.62Å; F641-L697 HydrophobicContact CE2-CG 4.11Å; F641-L697 HydrophobicContact CG-CD1 4.49Å; F641-L697 HydrophobicContact CZ-CD1 3.12Å; F641-L697 HydrophobicContact CZ-CG 3.82Å; T646-L697 HydrophobicContact CG2-CD2 4.31Å; V648-L697 HydrophobicContact CG2-CD2 4.24Å; I658-L697 HydrophobicContact CD1-CD2 4.32Å; I658-L697 HydrophobicContact CG2-CD2 4.32Å; E693-L697 WeakPolarHBondContact O-CB 3.36Å; E693-L697 PolarHBondContact O-N 2.86Å; I694-L697 WeakPolarHBondContact O-CB 3.49Å; I694-L697 PolarHBondContact O-N 2.87Å; R695-L697 VanDerWaalsContact C-N 3.25Å; R695-L697 PolarHBondContact O-N 3.12Å; L697-Y700 PolarHBondContact O-N 3.2Å; L697-V701 WeakPolarHBondContact O-CG2 3.49Å; L697-V701 PolarHBondContact O-N 3.1Å
698I81.1Confident78.8Confident0 Ų061.5 Ų61.50%032%0.323CS..Hα-helixtrans-63.2-44.7179.8-70.5170.4000111.1L656 I658 L681 L687 L690 I694 R695 Y700 V701 Y702L656-I698 HydrophobicContact CD1-CB 4.48Å; L656-I698 HydrophobicContact CD1-CD1 4.23Å; L656-I698 HydrophobicContact CD1-CG1 3.94Å; L656-I698 HydrophobicContact CD1-CG2 3.85Å; L656-I698 HydrophobicContact CD2-CD1 4.23Å; L656-I698 HydrophobicContact CD2-CG1 4.26Å; I658-I698 HydrophobicContact CD1-CD1 4.22Å; I658-I698 HydrophobicContact CD1-CG1 4.18Å; L681-I698 HydrophobicContact CD1-CD1 3.9Å; L687-I698 HydrophobicContact CD2-CD1 3.86Å; L687-I698 HydrophobicContact CD2-CG2 4.19Å; L690-I698 HydrophobicContact CD1-CD1 3.58Å; I694-I698 HydrophobicContact CG2-CD1 3.79Å; I694-I698 HydrophobicContact CG2-CG1 4.31Å; I694-I698 WeakPolarHBondContact O-CB 3.45Å; I694-I698 VanDerWaalsContact O-CG1 3.25Å; I694-I698 WeakPolarHBondContact O-CG1 3.31Å; I694-I698 PolarHBondContact O-N 3.41Å; R695-I698 PolarHBondContact O-N 3.08Å; R695-I698 VanDerWaalsContact O-N 3.1Å; I698-Y700 VanDerWaalsContact C-N 3.31Å; I698-Y700 PolarHBondContact O-N 2.86Å; I698-V701 WeakPolarHBondContact O-CB 3.38Å; I698-V701 PolarHBondContact O-N 2.88Å; I698-V701 VanDerWaalsContact O-N 3.14Å; I698-Y702 HydrophobicContact CG2-CD2 3.53Å; I698-Y702 HydrophobicContact CG2-CE2 3.26Å; I698-Y702 WeakPolarHBondContact O-CD2 3.5Å; I698-Y702 PolarHBondContact O-N 2.82Å
699D84Confident80.7Confident96 Ų9661.1 Ų61.151%0.51331%0.309SS..Hα-helixtrans-59.9-42.6177.6-67-23.8000111.3R695 Y702 A703R695-D699 VanDerWaalsContact O-CG 3.27Å; R695-D699 PolarHBondContact O-N 3.35Å; D699-Y702 PolarHBondContact O-N 3.44Å; D699-A703 PolarHBondContact O-N 2.86Å
700Y88Confident82.4Confident66 Ų6661.2 Ų61.226%0.25930%0.298SS..Hα-helixtrans-63.8-41174.7-179.8-102000112.3T621 K623 V624 F641 K696 L697 I698 A703 C704T621-Y700 PolarHBondContact OG1-OH 3.34Å; T621-Y700 VanDerWaalsContact OG1-OH 3.05Å; K623-Y700 HydrophobicContact CB-CE1 4.29Å; V624-Y700 HydrophobicContact CG1-CE1 3.93Å; V624-Y700 HydrophobicContact CG2-CE1 3.7Å; F641-Y700 HydrophobicContact CE1-CD1 4.18Å; F641-Y700 HydrophobicContact CE1-CE1 4.36Å; F641-Y700 HydrophobicContact CZ-CD1 4.13Å; K696-Y700 WeakPolarHBondContact O-CB 3.39Å; K696-Y700 PolarHBondContact O-N 3.03Å; L697-Y700 PolarHBondContact O-N 3.2Å; I698-Y700 VanDerWaalsContact C-N 3.31Å; I698-Y700 PolarHBondContact O-N 2.86Å; Y700-A703 PolarHBondContact O-N 2.83Å; Y700-C704 PolarHBondContact O-N 2.87Å; Y700-C704 PolarHBondContact O-SG 3.04Å
701V88.3Confident83.8Confident1 Ų161.2 Ų61.21%0.00630%0.298CS..Hα-helixtrans-63.4-42.3175.5168.60000111.3F637 T639 F641 V648 L697 I698 C704 R705F637-V701 HydrophobicContact CD1-CG1 4.13Å; F637-V701 HydrophobicContact CE1-CG1 4.09Å; F637-V701 WeakPolarHBondContact CE1-O 3.36Å; T639-V701 HydrophobicContact CG2-CB 4.44Å; T639-V701 HydrophobicContact CG2-CG1 3.83Å; T639-V701 HydrophobicContact CG2-CG2 4.09Å; T639-V701 WeakPolarHBondContact OG1-CG2 3.48Å; F641-V701 HydrophobicContact CE2-CG2 3.9Å; F641-V701 HydrophobicContact CZ-CG2 3.91Å; V648-V701 HydrophobicContact CB-CG1 4.45Å; V648-V701 HydrophobicContact CB-CG2 4.2Å; V648-V701 HydrophobicContact CG1-CG1 4.16Å; V648-V701 HydrophobicContact CG1-CG2 4.43Å; V648-V701 HydrophobicContact CG2-CG2 4.17Å; L697-V701 WeakPolarHBondContact O-CG2 3.49Å; L697-V701 PolarHBondContact O-N 3.1Å; I698-V701 WeakPolarHBondContact O-CB 3.38Å; I698-V701 PolarHBondContact O-N 2.88Å; I698-V701 VanDerWaalsContact O-N 3.14Å; V701-C704 PolarHBondContact O-N 3.4Å; V701-R705 PolarHBondContact O-N 3.07Å
702Y87.8Confident84.9Confident75 Ų7560.5 Ų60.529%0.29429%0.29SS..Hα-helixtrans-65.2-41.5175.5-77.3-53000112.4L656 I698 D699 C704 R705 D706L656-Y702 HydrophobicContact CD1-CE2 4.47Å; I698-Y702 HydrophobicContact CG2-CD2 3.53Å; I698-Y702 HydrophobicContact CG2-CE2 3.26Å; I698-Y702 WeakPolarHBondContact O-CD2 3.5Å; I698-Y702 PolarHBondContact O-N 2.82Å; D699-Y702 PolarHBondContact O-N 3.44Å; Y702-C704 VanDerWaalsContact C-N 3.3Å; Y702-C704 PolarHBondContact O-N 3.49Å; Y702-R705 WeakPolarHBondContact O-CB 3.31Å; Y702-R705 PolarHBondContact O-N 3.28Å; Y702-R705 VanDerWaalsContact O-N 3.1Å; Y702-D706 PolarHBondContact O-N 2.97Å
703A89.8Confident85.7Confident58 Ų5861.8 Ų61.848%0.47929%0.29SS..Hα-helixtrans-59.8-41.1173.900000111.9D699 Y700 D706 H707D699-A703 PolarHBondContact O-N 2.86Å; Y700-A703 PolarHBondContact O-N 2.83Å; A703-D706 PolarHBondContact O-N 2.81Å; A703-H707 WeakPolarHBondContact O-CB 3.33Å; A703-H707 PolarHBondContact O-N 3.35Å
704C91.7Very high86.6Confident9 Ų960.5 Ų60.56%0.06129%0.287CS..Hα-helixtrans-64.7-39.1174-67.50000112.3F637 Y700 V701 Y702 H707 C708F637-C704 HydrophobicContact CE1-CB 4.22Å; F637-C704 HydrophobicContact CZ-CB 3.98Å; Y700-C704 PolarHBondContact O-N 2.87Å; Y700-C704 PolarHBondContact O-SG 3.04Å; V701-C704 PolarHBondContact O-N 3.4Å; Y702-C704 VanDerWaalsContact C-N 3.3Å; Y702-C704 PolarHBondContact O-N 3.49Å; C704-H707 PolarHBondContact O-N 3.01Å; C704-C708 PolarHBondContact O-N 3Å; C704-C708 PolarHBondContact O-SG 3.35Å
705R91.3Very high87.4Confident24 Ų2460.8 Ų60.89%0.09129%0.289CS..Hα-helixtrans-61.2-49175.8-173.1-178.7-174.6176.28110.8S634 G635 F637 V701 Y702 H707 C708 R709S634-R705 PolarHBondContact O-NH2 2.77Å; S634-R705 VanDerWaalsContact O-NH2 3.14Å; G635-R705 PolarHBondContact O-NH2 2.87Å; F637-R705 HydrophobicContact CB-CG 4Å; F637-R705 HydrophobicContact CD1-CB 3.65Å; F637-R705 HydrophobicContact CD1-CG 3.97Å; F637-R705 HydrophobicContact CD2-CB 4.21Å; F637-R705 HydrophobicContact CD2-CG 4.01Å; F637-R705 HydrophobicContact CE1-CB 3.67Å; F637-R705 HydrophobicContact CE1-CG 4.41Å; F637-R705 HydrophobicContact CE2-CB 4.26Å; F637-R705 HydrophobicContact CE2-CG 4.48Å; F637-R705 HydrophobicContact CG-CB 3.91Å; F637-R705 HydrophobicContact CG-CG 3.72Å; F637-R705 VanDerWaalsContact CZ-CA 3.44Å; F637-R705 HydrophobicContact CZ-CB 3.99Å; V701-R705 PolarHBondContact O-N 3.07Å; Y702-R705 WeakPolarHBondContact O-CB 3.31Å; Y702-R705 PolarHBondContact O-N 3.28Å; Y702-R705 VanDerWaalsContact O-N 3.1Å; R705-H707 VanDerWaalsContact C-N 3.27Å; R705-H707 PolarHBondContact O-N 3.08Å; R705-C708 PolarHBondContact O-N 2.99Å; R705-R709 WeakPolarHBondContact O-CG 3.46Å; R705-R709 PolarHBondContact O-N 2.84Å
706D90.5Very high87.8Confident88 Ų8858.6 Ų58.647%0.47129%0.288SS..Hα-helixtrans-61.7-37.7178.7-72.4-15.7000111.6Y702 A703 R709 K710Y702-D706 PolarHBondContact O-N 2.97Å; A703-D706 PolarHBondContact O-N 2.81Å; D706-R709 PolarHBondContact O-N 3.46Å; D706-K710 WeakPolarHBondContact O-CG 3.29Å; D706-K710 PolarHBondContact O-N 3.34Å
707H91.8Very high87.9Confident102 Ų10258.3 Ų58.347%0.47228%0.282SS..Hα-helixtrans-62.5-48.7173.6-167.8-177.6000111.8A703 C704 R705 R709 K710 I711A703-H707 WeakPolarHBondContact O-CB 3.33Å; A703-H707 PolarHBondContact O-N 3.35Å; C704-H707 PolarHBondContact O-N 3.01Å; R705-H707 VanDerWaalsContact C-N 3.27Å; R705-H707 PolarHBondContact O-N 3.08Å; H707-R709 VanDerWaalsContact C-N 3.29Å; H707-R709 PolarHBondContact O-N 3.24Å; H707-K710 PolarHBondContact O-N 3.41Å; H707-K710 VanDerWaalsContact O-N 3.17Å; H707-I711 WeakPolarHBondContact O-CG1 3.38Å; H707-I711 PolarHBondContact O-N 3.38Å
708C91.8Very high87.7Confident0 Ų061.4 Ų61.40%030%0.297CS..Hα-helixtrans-62-36177.6-64.90000112.5V617 L628 F637 C704 R705 I711 E712V617-C708 HydrophobicContact CG1-CB 4.15Å; L628-C708 HydrophobicContact CB-CB 4.23Å; L628-C708 HydrophobicContact CD2-CB 4.23Å; F637-C708 HydrophobicContact CE2-CB 3.93Å; C704-C708 PolarHBondContact O-N 3Å; C704-C708 PolarHBondContact O-SG 3.35Å; R705-C708 PolarHBondContact O-N 2.99Å; C708-I711 PolarHBondContact O-N 2.96Å; C708-E712 PolarHBondContact O-N 3.15Å
709R89.7Confident87.4Confident76 Ų7662.4 Ų62.429%0.28730%0.302SS..Hα-helixtrans-68.4-37.1175-69.6-174.178.11774.5112.6L628 P633 R705 D706 H707 E712 Q713L628-R709 HydrophobicContact CD1-CG 4.48Å; L628-R709 HydrophobicContact CD2-CG 4.08Å; P633-R709 PolarHBondContact O-NH2 3.05Å; P633-R709 VanDerWaalsContact O-NH2 3.08Å; R705-R709 WeakPolarHBondContact O-CG 3.46Å; R705-R709 PolarHBondContact O-N 2.84Å; D706-R709 PolarHBondContact O-N 3.46Å; H707-R709 VanDerWaalsContact C-N 3.29Å; H707-R709 PolarHBondContact O-N 3.24Å; R709-E712 PolarHBondContact O-N 3.4Å; R709-Q713 WeakPolarHBondContact O-CB 3.49Å; R709-Q713 VanDerWaalsContact O-CG 3.26Å; R709-Q713 WeakPolarHBondContact O-CG 3.08Å; R709-Q713 PolarHBondContact O-N 3.31Å
710K90Very high86.6Confident130 Ų13061.4 Ų61.457%0.56530%0.303SS*.Hα-helixtrans-63.7-44.6172.8-73.2171.7-176.8178.10111.2D706 H707 E712 Q713 L714D706-K710 WeakPolarHBondContact O-CG 3.29Å; D706-K710 PolarHBondContact O-N 3.34Å; H707-K710 PolarHBondContact O-N 3.41Å; H707-K710 VanDerWaalsContact O-N 3.17Å; K710-E712 VanDerWaalsContact C-N 3.34Å; K710-E712 PolarHBondContact O-N 3.48Å; K710-Q713 PolarHBondContact O-N 3.36Å; K710-L714 WeakPolarHBondContact O-CB 3.05Å; K710-L714 VanDerWaalsContact O-CG 3.28Å; K710-L714 WeakPolarHBondContact O-CG 3.43Å; K710-L714 PolarHBondContact O-N 2.98Å
711I90.6Very high85.3Confident21 Ų2165.3 Ų65.311%0.10832%0.324CS..Hα-helixtrans-57.3-48.6174.3-71.3155.5000110.5V617 H707 C708 Q713 L714 L715 V735 L737V617-I711 HydrophobicContact CG1-CG2 4.21Å; V617-I711 HydrophobicContact CG2-CG2 4.46Å; H707-I711 WeakPolarHBondContact O-CG1 3.38Å; H707-I711 PolarHBondContact O-N 3.38Å; C708-I711 PolarHBondContact O-N 2.96Å; I711-Q713 PolarHBondContact O-N 3.11Å; I711-L714 PolarHBondContact O-N 3.2Å; I711-L715 HydrophobicContact CG2-CD1 3.83Å; I711-L715 HydrophobicContact CG2-CG 4.45Å; I711-L715 WeakPolarHBondContact O-CG 3.3Å; I711-L715 PolarHBondContact O-N 2.99Å; I711-V735 HydrophobicContact CG2-CG1 4.41Å; I711-L737 HydrophobicContact CB-CD1 4.47Å; I711-L737 HydrophobicContact CD1-CD1 3.56Å; I711-L737 HydrophobicContact CG1-CD1 4.06Å; I711-L737 HydrophobicContact CG2-CD1 3.65Å
712E90.5Very high83.8Confident30 Ų3072 Ų7214%0.1436%0.355CS..Hα-helixtrans-57.2-49.3176.5-177.6-146.1-17500111.7K616 V617 L628 C708 R709 K710 L714 L715 A716 F733K616-E712 HydrophobicContact CD-CG 4.27Å; K616-E712 WeakPolarHBondContact CE-OE1 3.46Å; K616-E712 IonicContact NZ-OE1 2.84Å; K616-E712 PolarHBondContact NZ-OE1 2.86Å; K616-E712 IonicContact NZ-OE2 3.63Å; K616-E712 PolarHBondContact NZ-OE2 2.87Å; V617-E712 HydrophobicContact CG2-CB 4.19Å; L628-E712 HydrophobicContact CD2-CB 4.38Å; C708-E712 PolarHBondContact O-N 3.15Å; R709-E712 PolarHBondContact O-N 3.4Å; K710-E712 VanDerWaalsContact C-N 3.34Å; K710-E712 PolarHBondContact O-N 3.48Å; E712-L714 VanDerWaalsContact C-N 3.32Å; E712-L714 PolarHBondContact O-N 2.92Å; E712-L715 PolarHBondContact O-N 3.38Å; E712-A716 WeakPolarHBondContact O-CB 3.42Å; E712-A716 PolarHBondContact O-N 3.29Å; E712-F733 HydrophobicContact CB-CE1 4.36Å; E712-F733 HydrophobicContact CB-CZ 4.41Å; E712-F733 HydrophobicContact CG-CE1 3.98Å; E712-F733 HydrophobicContact CG-CZ 3.94Å
713Q87.7Confident82Confident92 Ų9273.1 Ų73.143%0.4337%0.366SS..Hα-helixtrans-61.8-38.6-179.6-74.3172.1500112.5R709 K710 I711 R717R709-Q713 WeakPolarHBondContact O-CB 3.49Å; R709-Q713 VanDerWaalsContact O-CG 3.26Å; R709-Q713 WeakPolarHBondContact O-CG 3.08Å; R709-Q713 PolarHBondContact O-N 3.31Å; K710-Q713 PolarHBondContact O-N 3.36Å; I711-Q713 PolarHBondContact O-N 3.11Å; Q713-R717 VanDerWaalsContact O-CG 3.24Å; Q713-R717 WeakPolarHBondContact O-CG 3.49Å; Q713-R717 PolarHBondContact O-N 3.08Å; Q713-R717 VanDerWaalsContact O-N 3.14Å
714L88.5Confident80Confident102 Ų10277.6 Ų77.653%0.53438%0.382SS..Hα-helixtrans-68.1-50.7178.2-71.6169.5000111.2K710 I711 E712 A716 R717 M718K710-L714 WeakPolarHBondContact O-CB 3.05Å; K710-L714 VanDerWaalsContact O-CG 3.28Å; K710-L714 WeakPolarHBondContact O-CG 3.43Å; K710-L714 PolarHBondContact O-N 2.98Å; I711-L714 PolarHBondContact O-N 3.2Å; E712-L714 VanDerWaalsContact C-N 3.32Å; E712-L714 PolarHBondContact O-N 2.92Å; L714-A716 VanDerWaalsContact C-N 3.33Å; L714-A716 PolarHBondContact O-N 2.91Å; L714-R717 PolarHBondContact O-N 2.98Å; L714-M718 WeakPolarHBondContact O-CG 3.4Å; L714-M718 PolarHBondContact O-N 3.4Å; L714-M718 VanDerWaalsContact O-N 3.08Å
715L87.1Confident77.7Confident37 Ų3782.3 Ų82.319%0.19441%0.41CS..Hα-helixtrans-64.6-37.3179-67.5174.9000112.1I711 E712 R717 M718 D719 F733 V735I711-L715 HydrophobicContact CG2-CD1 3.83Å; I711-L715 HydrophobicContact CG2-CG 4.45Å; I711-L715 WeakPolarHBondContact O-CG 3.3Å; I711-L715 PolarHBondContact O-N 2.99Å; E712-L715 PolarHBondContact O-N 3.38Å; L715-R717 VanDerWaalsContact C-N 3.32Å; L715-R717 PolarHBondContact O-N 3.05Å; L715-M718 HydrophobicContact CD2-SD 4.41Å; L715-M718 PolarHBondContact O-N 3.12Å; L715-D719 PolarHBondContact O-N 2.84Å; L715-F733 HydrophobicContact CB-CE2 3.9Å; L715-F733 HydrophobicContact CB-CZ 3.72Å; L715-F733 HydrophobicContact CD1-CZ 4.43Å; L715-V735 HydrophobicContact CD1-CB 3.96Å; L715-V735 HydrophobicContact CD1-CG1 3.74Å; L715-V735 HydrophobicContact CD1-CG2 3.95Å
716A82.4Confident75.1Confident34 Ų3486.4 Ų86.428%0.28144%0.443SS..Hα-helixtrans-67-31.417600000113E712 L714 S720 F733E712-A716 WeakPolarHBondContact O-CB 3.42Å; E712-A716 PolarHBondContact O-N 3.29Å; L714-A716 VanDerWaalsContact C-N 3.33Å; L714-A716 PolarHBondContact O-N 2.91Å; A716-S720 PolarHBondContact O-N 3.3Å; A716-S720 PolarHBondContact O-OG 2.73Å; A716-F733 HydrophobicContact CB-CE2 4.38Å
717R81.8Confident72.6Confident148 Ų14889.4 Ų89.456%0.55846%0.464SS*.Hα-helixtrans-69.5-42172.5-75.3172.1-169.9175.73.5111.6Q713 L714 L715 S720 E721Q713-R717 VanDerWaalsContact O-CG 3.24Å; Q713-R717 WeakPolarHBondContact O-CG 3.49Å; Q713-R717 PolarHBondContact O-N 3.08Å; Q713-R717 VanDerWaalsContact O-N 3.14Å; L714-R717 PolarHBondContact O-N 2.98Å; L715-R717 VanDerWaalsContact C-N 3.32Å; L715-R717 PolarHBondContact O-N 3.05Å; R717-S720 WeakPolarHBondContact CA-OG 3.44Å; R717-S720 PolarHBondContact O-N 3.04Å; R717-S720 VanDerWaalsContact O-N 3.11Å; R717-S720 PolarHBondContact O-OG 3.02Å; R717-E721 WeakPolarHBondContact O-CG 3.47Å; R717-E721 PolarHBondContact O-N 2.98Å
718M78.1Confident70.1Confident100 Ų10092 Ų9249%0.49348%0.48SS..Hα-helixtrans-61.4-45.5175.3-65.917766.300111.4L714 L715 S720 E721 E722L714-M718 WeakPolarHBondContact O-CG 3.4Å; L714-M718 PolarHBondContact O-N 3.4Å; L714-M718 VanDerWaalsContact O-N 3.08Å; L715-M718 HydrophobicContact CD2-SD 4.41Å; L715-M718 PolarHBondContact O-N 3.12Å; M718-S720 PolarHBondContact O-N 2.74Å; M718-E721 PolarHBondContact O-N 3.32Å; M718-E722 PolarHBondContact O-N 3.25Å; M718-E722 VanDerWaalsContact O-N 3.13Å
719D72.9Confident68Low21 Ų2196.5 Ų96.511%0.11251%0.512CS..Hα-helixtrans-59.6-28.9174.6-76.35.9000112.3R477 L715 N723 S731 S732R477-D719 IonicContact NH2-OD2 2.59Å; L715-D719 PolarHBondContact O-N 2.84Å; D719-N723 PolarHBondContact O-ND2 3.27Å; D719-S731 PolarHBondContact OD2-OG 2.89Å; D719-S731 VanDerWaalsContact OD2-OG 3.12Å; D719-S732 WeakPolarHBondContact OD1-CB 3.34Å; D719-S732 PolarHBondContact OD1-N 3.11Å; D719-S732 VanDerWaalsContact OD1-N 3.08Å; D719-S732 PolarHBondContact OD1-OG 2.97Å; D719-S732 PolarHBondContact OD2-N 3.32Å
720S67.2Low66.2Low75 Ų7598.2 Ų98.252%0.52453%0.534SS..Hα-helixtrans-83.5-30.6177.260.80000114.2A716 R717 M718A716-S720 PolarHBondContact O-N 3.3Å; A716-S720 PolarHBondContact O-OG 2.73Å; R717-S720 WeakPolarHBondContact CA-OG 3.44Å; R717-S720 PolarHBondContact O-N 3.04Å; R717-S720 VanDerWaalsContact O-N 3.11Å; R717-S720 PolarHBondContact O-OG 3.02Å; M718-S720 PolarHBondContact O-N 2.74Å
721E61.2Low65.2Low149 Ų14994 Ų9470%0.69652%0.521SS*.Hα-helixtrans-80.9-28.6-179.3-72.6177.4-176.200112.4R717 M718R717-E721 WeakPolarHBondContact O-CG 3.47Å; R717-E721 PolarHBondContact O-N 2.98Å; M718-E721 PolarHBondContact O-N 3.32Å
722E57.1Low64.7Low140 Ų14095 Ų9565%0.65453%0.53SS*.G310 helixtrans-82.4-19.4178.6-72.9-172.4167.200114M718 D724 T725M718-E722 PolarHBondContact O-N 3.25Å; M718-E722 VanDerWaalsContact O-N 3.13Å; E722-D724 PolarHBondContact O-N 3.43Å; E722-T725 PolarHBondContact O-N 3.27Å
723N50.4Low64.3Low100 Ų10094.4 Ų94.454%0.53553%0.527SS..G310 helixtrans-71.2-10.8-175.2-97.1-33.9000115.1D719 T725 S729D719-N723 PolarHBondContact O-ND2 3.27Å; N723-T725 VanDerWaalsContact C-N 3.29Å; N723-T725 PolarHBondContact O-N 3.34Å; N723-S729 WeakPolarHBondContact OD1-CB 3.39Å
724D48.3Very low64.1Low151 Ų15193.4 Ų93.481%0.80753%0.529SS*.G310 helixtrans-81.3-5.3175.7-83.1-23.7000113.6E722E722-D724 PolarHBondContact O-N 3.43Å
725T42.6Very low64.1Low108 Ų10889.6 Ų89.666%0.66351%0.51SS*.SBendtrans-149.5112.9178.615.60000111.8E722 N723E722-T725 PolarHBondContact O-N 3.27Å; N723-T725 VanDerWaalsContact C-N 3.29Å; N723-T725 PolarHBondContact O-N 3.34Å
726S37.3Very low64.2Low110 Ų11093 Ų9377%0.76953%0.527SS*.SBendtrans90.594.6164.378.70000119.5L728S726-L728 VanDerWaalsContact C-N 3.29Å; S726-L728 PolarHBondContact O-N 2.88Å
727V38.5Very low64.4Low151 Ų15194.3 Ų94.392%0.91553%0.529SS*.SBendtrans44.1-11132.4-1690000122.4
728L37.6Very low64.4Low157 Ų15788.8 Ų88.882%0.82252%0.518SS*.  trans-142.483.5174-74167.6000110.7S726 C730S726-L728 VanDerWaalsContact C-N 3.29Å; S726-L728 PolarHBondContact O-N 2.88Å; L728-C730 PolarHBondContact O-N 3.14Å
729S47.8Very low64.1Low95 Ų9585.2 Ų85.266%0.66450%0.5SS*.  trans-59.292.8169.6145.90000109.9N723N723-S729 WeakPolarHBondContact OD1-CB 3.39Å
730C52.9Low63.9Low111 Ų11191.7 Ų91.775%0.7552%0.523SS*.  trans-94.5110.4169.9-171.20000108L728 S732L728-C730 PolarHBondContact O-N 3.14Å; C730-S732 PolarHBondContact O-N 3.27Å
731S69.3Low63.5Low41 Ų4189.1 Ų89.129%0.28750%0.504SS..  trans-67.4136.8172.4-172.50000109.6R477 D719 F733R477-S731 PolarHBondContact NE-OG 2.67Å; D719-S731 PolarHBondContact OD2-OG 2.89Å; D719-S731 VanDerWaalsContact OD2-OG 3.12Å; S731-F733 PolarHBondContact O-N 2.66Å; S731-F733 PolarHBondContact OG-N 2.79Å
732S79.3Confident63.2Low43 Ų4387.1 Ų87.130%0.30149%0.493SS..  trans-65.8-0.8172.6-66.70000113.7D719 C730D719-S732 WeakPolarHBondContact OD1-CB 3.34Å; D719-S732 PolarHBondContact OD1-N 3.11Å; D719-S732 VanDerWaalsContact OD1-N 3.08Å; D719-S732 PolarHBondContact OD1-OG 2.97Å; D719-S732 PolarHBondContact OD2-N 3.32Å; C730-S732 PolarHBondContact O-N 3.27Å
733F81.6Confident62.6Low17 Ų1785.4 Ų85.48%0.07549%0.488CS..  trans-116.2144.2-173.5-62.5-90.1000112.1K616 V617 E712 L715 A716 S731 V735K616-F733 HydrophobicContact CB-CD1 4.01Å; K616-F733 WeakPolarHBondContact O-CD1 3.33Å; V617-F733 HydrophobicContact CG2-CE1 4.04Å; E712-F733 HydrophobicContact CB-CE1 4.36Å; E712-F733 HydrophobicContact CB-CZ 4.41Å; E712-F733 HydrophobicContact CG-CE1 3.98Å; E712-F733 HydrophobicContact CG-CZ 3.94Å; L715-F733 HydrophobicContact CB-CE2 3.9Å; L715-F733 HydrophobicContact CB-CZ 3.72Å; L715-F733 HydrophobicContact CD1-CZ 4.43Å; A716-F733 HydrophobicContact CB-CE2 4.38Å; S731-F733 PolarHBondContact O-N 2.66Å; S731-F733 PolarHBondContact OG-N 2.79Å; F733-V735 HydrophobicContact CD1-CG1 4.49Å; F733-V735 HydrophobicContact CE1-CG1 4.48Å
734P85.1Confident61.8Low72 Ų7283.5 Ų83.547%0.46849%0.491SS..SBendcis-73.8143.2-1.231.3-35.8000112.5P615 K616P615-P734 WeakPolarHBondContact O-CB 3.17Å; K616-P734 WeakPolarHBondContact O-CA 3.42Å
735V87.8Confident60.9Low22 Ų2283.3 Ų83.313%0.13348%0.483CS..EExtended strand (participates in β ladder)trans-106.3137.8176.768.30000111.1K616 V617 T618 I711 L715 F733 L737K616-V735 PolarHBondContact O-N 3.31Å; V617-V735 HydrophobicContact CB-CG1 4.07Å; V617-V735 HydrophobicContact CG1-CG1 4Å; V617-V735 HydrophobicContact CG2-CG1 3.76Å; T618-V735 PolarHBondContact N-O 3.39Å; I711-V735 HydrophobicContact CG2-CG1 4.41Å; L715-V735 HydrophobicContact CD1-CB 3.96Å; L715-V735 HydrophobicContact CD1-CG1 3.74Å; L715-V735 HydrophobicContact CD1-CG2 3.95Å; F733-V735 HydrophobicContact CD1-CG1 4.49Å; F733-V735 HydrophobicContact CE1-CG1 4.48Å; V735-L737 HydrophobicContact CG2-CD2 3.93Å; V735-L737 HydrophobicContact CG2-CG 4.04Å
736I89.1Confident60.2Low108 Ų10885.3 Ų85.355%0.55449%0.49SS*.EExtended strand (participates in β ladder)trans-120.6122.4173.2-54.8178.6000108.3T618 Y620T618-I736 HydrophobicContact CG2-CG2 4.38Å; T618-I736 CarbonylContact O-C 3.52Å; T618-I736 WeakPolarHBondContact O-CA 3.16Å; Y620-I736 HydrophobicContact CD2-CG2 4.26Å; Y620-I736 HydrophobicContact CE2-CG2 3.87Å
737L86.5Confident59.7Low61 Ų6187 Ų8732%0.31949%0.49SS..EExtended strand (participates in β ladder)trans-119.3124.5-179.1-60.3174000109.1T618 L619 Y620 I711 V735T618-L737 PolarHBondContact O-N 3.37Å; L619-L737 CarbonylContact C-O 3.51Å; L619-L737 WeakPolarHBondContact CA-O 3.21Å; L619-L737 HydrophobicContact CD1-CB 3.82Å; Y620-L737 PolarHBondContact N-O 2.81Å; I711-L737 HydrophobicContact CB-CD1 4.47Å; I711-L737 HydrophobicContact CD1-CD1 3.56Å; I711-L737 HydrophobicContact CG1-CD1 4.06Å; I711-L737 HydrophobicContact CG2-CD1 3.65Å; V735-L737 HydrophobicContact CG2-CD2 3.93Å; V735-L737 HydrophobicContact CG2-CG 4.04Å
738G81.1Confident59.3Low32 Ų3286 Ų8633%0.3348%0.484SS..SBendtrans78.2-170.2-175.100000114.1Y620Y620-G738 WeakPolarHBondContact CD2-O 3.27Å
739H73.6Confident58.8Low26 Ų2684 Ų8412%0.1248%0.478CS..  trans-155.3161.2-169.22.547.4000109.1Y620 L804 P805 T806 N807 A808Y620-H739 VanDerWaalsContact CB-N 3.26Å; Y620-H739 VanDerWaalsContact CB-O 3.28Å; Y620-H739 WeakPolarHBondContact CB-O 3.31Å; H739-L804 WeakPolarHBondContact O-CD2 3.37Å; H739-L804 VanDerWaalsContact O-CG 3.29Å; H739-L804 WeakPolarHBondContact O-CG 3.06Å; H739-P805 HydrophobicContact CB-CB 4.46Å; H739-P805 HydrophobicContact CB-CG 3.57Å; H739-P805 WeakPolarHBondContact CD2-CB 3.24Å; H739-P805 VanDerWaalsContact CD2-CG 3.4Å; H739-P805 WeakPolarHBondContact CD2-CG 3.49Å; H739-P805 PolarHBondContact CE1-O 3.05Å; H739-P805 VanDerWaalsContact CG-CD 3.4Å; H739-P805 VanDerWaalsContact ND1-C 3.27Å; H739-P805 VanDerWaalsContact ND1-CD 3.33Å; H739-P805 WeakPolarHBondContact ND1-CD 3.35Å; H739-P805 WeakPolarHBondContact ND1-CG 3.48Å; H739-P805 PolarHBondContact ND1-O 3.21Å; H739-P805 WeakPolarHBondContact NE2-CB 3.23Å; H739-T806 PolarHBondContact CE1-N 3.1Å; H739-N807 PolarHBondContact CE1-N 2.96Å; H739-N807 PolarHBondContact NE2-N 3.03Å; H739-A808 PolarHBondContact NE2-N 3.15Å
740R67.5Low57.9Low157 Ų15784.7 Ų84.759%0.59248%0.483SS*.  trans-73.3137.8180-167.3178-175.8176.5-0.4111.5Y620 K742Y620-R740 HydrophobicContact CD1-CB 4.24Å; Y620-R740 HydrophobicContact CE1-CB 4.14Å; R740-K742 PolarHBondContact O-N 3.06Å
741P59.9Low56.8Low21 Ų2184.1 Ų84.114%0.13648%0.48CS..  trans-56.4135.8169.64.5-10.3000110.8H642 I743 L804H642-P741 HydrophobicContact CB-CG 4.19Å; H642-P741 WeakPolarHBondContact CD2-CG 3.42Å; H642-P741 WeakPolarHBondContact NE2-CD 3.28Å; P741-I743 PolarHBondContact O-N 3.24Å; P741-L804 HydrophobicContact CB-CD1 3.31Å; P741-L804 HydrophobicContact CB-CG 4.02Å; P741-L804 HydrophobicContact CG-CD1 3.5Å; P741-L804 VanDerWaalsContact CG-CD1 3.5Å; P741-L804 HydrophobicContact CG-CG 4.12Å
742K54.1Low55Low106 Ų10689.9 Ų89.946%0.46150%0.502SS..  trans-77.3101.3168.9-74.9176.9167.1166.20108.3R740 G744 F820R740-K742 PolarHBondContact O-N 3.06Å; K742-G744 PolarHBondContact O-N 3.36Å; K742-F820 HydrophobicContact CD-CD1 3.97Å; K742-F820 HydrophobicContact CD-CE1 3.68Å; K742-F820 HydrophobicContact CG-CE1 4.29Å
743I45.4Very low52.7Low105 Ų10594.6 Ų94.654%0.53852%0.524SS..  trans-79.4102.9172-58.8170.6000107.8P741 F745P741-I743 PolarHBondContact O-N 3.24Å; I743-F745 PolarHBondContact O-N 3.17Å
744G32.8Very low50.2Low59 Ų59102.6 Ų102.661%0.60856%0.562SS**  trans-74.9111.8174.100000111.6K742 N746K742-G744 PolarHBondContact O-N 3.36Å; G744-N746 PolarHBondContact O-N 2.64Å
745F28.5Very low47.7Very low147 Ų147104.6 Ų104.665%0.64558%0.575SS**  trans-74.694.1164.3-91.2-98.1000109.1N665 I743 L747N665-F745 WeakPolarHBondContact ND2-CE1 3.47Å; N665-F745 WeakPolarHBondContact ND2-CZ 3.45Å; I743-F745 PolarHBondContact O-N 3.17Å; F745-L747 PolarHBondContact O-N 3.38Å
746N28.6Very low44.8Very low150 Ų150113.2 Ų113.280%0.80261%0.61SS**  trans-88.497161.2-79.9-15.5000108.6G744 V748G744-N746 PolarHBondContact O-N 2.64Å; N746-V748 PolarHBondContact O-N 2.92Å
747L27.5Very low41.9Very low146 Ų146113 Ų11376%0.76462%0.616SS**  trans-67.2114155.5-95.889.5000107.6F745F745-L747 PolarHBondContact O-N 3.38Å
748V30.1Very low39.1Very low131 Ų131116.6 Ų116.679%0.79464%0.641SS**  trans-120.7103.6158.6-178.40000107.4N746N746-V748 PolarHBondContact O-N 2.92Å
749T25.9Very low36.6Very low114 Ų114120 Ų12070%0.69966%0.659SS**  trans-84.9153.9161.139.50000109.3
750S29.7Very low34.4Very low109 Ų109124 Ų12476%0.76269%0.685SS**  trans80.299.9164.262.40000119.9
751S29.7Very low32.5Very low99 Ų99122 Ų12269%0.69269%0.691SS**  67.2112.4113-157.90000120.4
752Q30.7Very low31Very low162 Ų162126.4 Ų126.476%0.75771%0.713SS**  trans74119.8139.8-70.9-172.71300120.9
753N32.1Very low29.8Very low142 Ų142128.6 Ų128.676%0.75973%0.727SS**  trans80.6116.3139.6-62.6-15.6000120
754H29.1Very low29Very low185 Ų185129.6 Ų129.686%0.85673%0.732SS**  trans-43.3171.7157.4-68.3-72.8000114.7
755P31.3Very low28.8Very low114 Ų114132 Ų13274%0.7474%0.735SS**  cis-136.6159.9-3.319.16.8000116.2
756K27.6Very low28.9Very low203 Ų203130.8 Ų130.888%0.88374%0.735SS**  trans31.6155.8135.1-91.6-169.9-179.3179.20123.6
757P29.5Very low29Very low103 Ų103130.8 Ų130.867%0.66973%0.73SS**  -126.9-161.8-119.939.3-19.1000113.8
758T27Very low29Very low137 Ų137131.4 Ų131.484%0.8473%0.734SS**  trans86.2141.6174.767.20000113.5
759S27.9Very low28.9Very low104 Ų104128.3 Ų128.373%0.72773%0.729SS**  cis-171.7142.116.5-148.30000105.4
760V27.8Very low28.9Very low110 Ų110130.5 Ų130.567%0.66774%0.736SS**  140.8110.8101-173.60000104.5
761T26.9Very low28.9Very low116 Ų116134.5 Ų134.571%0.71274%0.742SS**  56.3123.9100.3-23.50000116.2
762N30Very low28.9Very low113 Ų113136.4 Ų136.460%0.60475%0.75SS**  156.3116122.8-82.7-13.7000110.8
763M27.8Very low28.9Very low151 Ų151132.1 Ų132.174%0.74474%0.738SS**  94.9143.597.5-79.5-161.1-156.600110.2
764I29.5Very low28.9Very low127 Ų127130.3 Ų130.365%0.65173%0.727SS**  cis-171.4128.232.2-113.9153.4000104.8
765T27.5Very low29.2Very low110 Ų110124.8 Ų124.868%0.67571%0.709SS**  58.1146.4114.179.70000116.1
766N30.5Very low29.3Very low120 Ų120122.6 Ų122.664%0.64270%0.697SS**  cis-175.1153.636.2-133.79.5000111.7
767E30.6Very low29.7Very low150 Ų150119.2 Ų119.270%0.70168%0.684SS**  trans70.8142.4141.3-70.3-179.9-15400120.6
768L28Very low30Very low160 Ų160117.4 Ų117.484%0.83867%0.669SS**  cis-166.1152.814.1-155.173.7000108.4
769G28Very low30.6Very low66 Ų66116.1 Ų116.168%0.6865%0.649SS**  trans131.789.7153.100000117.2
770D26.5Very low31.3Very low160 Ų160115.9 Ų115.986%0.85664%0.64SS**  trans34.8104.5144.6-61.5-21.3000118.7
771Q29.4Very low31.9Very low192 Ų192112.5 Ų112.590%0.89762%0.618SS**  -162.6145.5127.6-79.9-131.94.600110.5S773Q771-S773 PolarHBondContact O-N 2.94Å
772V30.3Very low32.6Very low140 Ų140107.7 Ų107.785%0.84859%0.587SS**  trans-46.5119.8-168.8178.60000113.1L774V772-L774 PolarHBondContact O-N 3.48Å
773S30.6Very low33.3Very low72 Ų72104 Ų10450%0.50357%0.571SS.*  trans-71.599.8-177.2-176.20000112.7Q771 S775 S776Q771-S773 PolarHBondContact O-N 2.94Å; S773-S775 PolarHBondContact O-N 2.91Å; S773-S775 WeakPolarHBondContact OG-CB 3.49Å; S773-S775 PolarHBondContact OG-N 3.18Å; S773-S775 PolarHBondContact OG-OG 3.46Å; S773-S776 PolarHBondContact O-OG 3.17Å
774L30.4Very low34.1Very low103 Ų103101.1 Ų101.154%0.53956%0.558SS.*THydrogen-bonded Turntrans-56.4-8.7161.6-79.6162.9000113.1V772 S776 Q777 L778 Y876V772-L774 PolarHBondContact O-N 3.48Å; L774-S776 PolarHBondContact O-N 3.21Å; L774-Q777 PolarHBondContact O-N 3.47Å; L774-L778 WeakPolarHBondContact O-CB 3.31Å; L774-L778 PolarHBondContact O-N 2.71Å; L774-L778 VanDerWaalsContact O-N 3.08Å; L774-Y876 HydrophobicContact CD1-CE1 4.25Å
775S36.1Very low34.6Very low69 Ų6998 Ų9848%0.48355%0.547SS..Hα-helixtrans-60.3-32.3-179.482.60000112.5S773 Y779S773-S775 PolarHBondContact O-N 2.91Å; S773-S775 WeakPolarHBondContact OG-CB 3.49Å; S773-S775 PolarHBondContact OG-N 3.18Å; S773-S775 PolarHBondContact OG-OG 3.46Å; S775-Y779 WeakPolarHBondContact O-CB 3.44Å; S775-Y779 PolarHBondContact O-N 2.81Å
776S33Very low34.9Very low68 Ų6896.8 Ų96.848%0.47654%0.536SS..Hα-helixtrans-75.2-39.6-178.9540000113S773 L774 Y779 N780S773-S776 PolarHBondContact O-OG 3.17Å; L774-S776 PolarHBondContact O-N 3.21Å; S776-Y779 PolarHBondContact O-N 3.11Å; S776-N780 VanDerWaalsContact O-CG 3.3Å; S776-N780 PolarHBondContact O-N 3.34Å; S776-N780 PolarHBondContact O-ND2 2.98Å
777Q35.9Very low35.2Very low133 Ų13398.2 Ų98.262%0.62154%0.537SS*.Hα-helixtrans-69.4-41.6176-71.1-176.46.200111.2L774 N780 L781L774-Q777 PolarHBondContact O-N 3.47Å; Q777-N780 PolarHBondContact O-N 2.66Å; Q777-L781 VanDerWaalsContact O-CB 3.31Å; Q777-L781 WeakPolarHBondContact O-CB 3.39Å; Q777-L781 PolarHBondContact O-N 3.05Å
778L35.9Very low35.4Very low64 Ų64100 Ų10034%0.33555%0.545SS..Hα-helixtrans-64.9-40.3174.7-138.377.4000111.5L774 L781 I782 V844L774-L778 WeakPolarHBondContact O-CB 3.31Å; L774-L778 PolarHBondContact O-N 2.71Å; L774-L778 VanDerWaalsContact O-N 3.08Å; L778-L781 WeakPolarHBondContact O-CB 3.39Å; L778-L781 PolarHBondContact O-N 3.15Å; L778-I782 HydrophobicContact CG-CD1 4.46Å; L778-I782 WeakPolarHBondContact O-CD1 3.38Å; L778-I782 WeakPolarHBondContact O-CG1 3.49Å; L778-I782 PolarHBondContact O-N 3.04Å; L778-V844 HydrophobicContact CD2-CB 3.97Å; L778-V844 HydrophobicContact CD2-CG2 3.39Å; L778-V844 HydrophobicContact CG-CG2 4.34Å
779Y40.6Very low35.5Very low111 Ų111100.2 Ų100.244%0.43554%0.539SS..Hα-helixtrans-62.3-44.7176.2-171.2-84.9000111.8S775 S776 L781 I782 S783 T842S775-Y779 WeakPolarHBondContact O-CB 3.44Å; S775-Y779 PolarHBondContact O-N 2.81Å; S776-Y779 PolarHBondContact O-N 3.11Å; Y779-L781 VanDerWaalsContact C-N 3.32Å; Y779-L781 PolarHBondContact O-N 2.77Å; Y779-I782 PolarHBondContact O-N 3.29Å; Y779-S783 VanDerWaalsContact O-CB 3.23Å; Y779-S783 WeakPolarHBondContact O-CB 3.39Å; Y779-S783 PolarHBondContact O-N 3.41Å; Y779-T842 HydrophobicContact CD2-CG2 4.28Å; Y779-T842 HydrophobicContact CE2-CG2 3.5Å; Y779-T842 VanDerWaalsContact CE2-CG2 3.5Å
780N43.1Very low35.5Very low98 Ų98107.2 Ų107.252%0.52455%0.546SS..Hα-helixtrans-63.8-39.9174.4-71.5-24.7000111.4S776 Q777 I782 S783 D784S776-N780 VanDerWaalsContact O-CG 3.3Å; S776-N780 PolarHBondContact O-N 3.34Å; S776-N780 PolarHBondContact O-ND2 2.98Å; Q777-N780 PolarHBondContact O-N 2.66Å; N780-I782 VanDerWaalsContact C-N 3.33Å; N780-I782 PolarHBondContact O-N 3.4Å; N780-S783 PolarHBondContact O-N 2.7Å; N780-D784 WeakPolarHBondContact O-CB 3.32Å; N780-D784 PolarHBondContact O-N 2.89Å
781L40.3Very low35.8Very low39 Ų39109.4 Ų109.420%0.20455%0.548CS..Hα-helixtrans-62.7-38.3177.9-148.570.8000112.3Q777 L778 Y779 P883 I886 R890Q777-L781 VanDerWaalsContact O-CB 3.31Å; Q777-L781 WeakPolarHBondContact O-CB 3.39Å; Q777-L781 PolarHBondContact O-N 3.05Å; L778-L781 WeakPolarHBondContact O-CB 3.39Å; L778-L781 PolarHBondContact O-N 3.15Å; Y779-L781 VanDerWaalsContact C-N 3.32Å; Y779-L781 PolarHBondContact O-N 2.77Å; L781-P883 HydrophobicContact CD1-CB 4.37Å; L781-P883 HydrophobicContact CD2-CG 4.46Å; L781-I886 HydrophobicContact CD2-CD1 3.3Å; L781-I886 HydrophobicContact CG-CD1 3.83Å; L781-I886 HydrophobicContact CG-CG2 4.48Å; L781-R890 PolarHBondContact O-NH2 3.31Å
782I41.2Very low35.7Very low15 Ų15107.7 Ų107.78%0.07755%0.545CS..Hα-helixtrans-78.9-40177.7-62.6162.9000111L778 Y779 N780 D784 C785 Y839 N840 R841L778-I782 HydrophobicContact CG-CD1 4.46Å; L778-I782 WeakPolarHBondContact O-CD1 3.38Å; L778-I782 WeakPolarHBondContact O-CG1 3.49Å; L778-I782 PolarHBondContact O-N 3.04Å; Y779-I782 PolarHBondContact O-N 3.29Å; N780-I782 VanDerWaalsContact C-N 3.33Å; N780-I782 PolarHBondContact O-N 3.4Å; I782-D784 VanDerWaalsContact C-N 3.29Å; I782-D784 PolarHBondContact O-N 3.26Å; I782-C785 WeakPolarHBondContact O-CB 3.33Å; I782-C785 PolarHBondContact O-N 3.35Å; I782-C785 VanDerWaalsContact O-N 3.15Å; I782-Y839 HydrophobicContact CD1-CD2 4.44Å; I782-Y839 HydrophobicContact CG1-CD2 4.35Å; I782-Y839 HydrophobicContact CG2-CD2 4.4Å; I782-N840 WeakPolarHBondContact CG2-O 3.42Å; I782-R841 VanDerWaalsContact CG2-C 3.42Å; I782-R841 WeakPolarHBondContact CG2-O 3.43Å
783S43.3Very low35.7Very low36 Ų36106.4 Ų106.425%0.25254%0.54SS..Hα-helixtrans-67-29.4-179.6-1680000112.9Y779 N780 C785Y779-S783 VanDerWaalsContact O-CB 3.23Å; Y779-S783 WeakPolarHBondContact O-CB 3.39Å; Y779-S783 PolarHBondContact O-N 3.41Å; N780-S783 PolarHBondContact O-N 2.7Å; S783-C785 VanDerWaalsContact C-N 3.33Å
784D45.2Very low35.6Very low91 Ų91111 Ų11149%0.48756%0.558SS.*THydrogen-bonded Turntrans-77.4-16.4175.5-78-12.7000113.4N780 I782 L786N780-D784 WeakPolarHBondContact O-CB 3.32Å; N780-D784 PolarHBondContact O-N 2.89Å; I782-D784 VanDerWaalsContact C-N 3.29Å; I782-D784 PolarHBondContact O-N 3.26Å; D784-L786 VanDerWaalsContact C-N 3.27Å; D784-L786 PolarHBondContact O-N 2.92Å
785C39.2Very low35.6Very low62 Ų62112 Ų11242%0.41957%0.574SS.*THydrogen-bonded Turntrans-76.9-10.5173.9-78.30000113.3I782 S783 R890I782-C785 WeakPolarHBondContact O-CB 3.33Å; I782-C785 PolarHBondContact O-N 3.35Å; I782-C785 VanDerWaalsContact O-N 3.15Å; S783-C785 VanDerWaalsContact C-N 3.33Å; C785-R890 PolarHBondContact SG-NE 3.25Å; C785-R890 VanDerWaalsContact SG-NE 3.35Å; C785-R890 PolarHBondContact SG-NH2 3.36Å
786L35.7Very low35.3Very low84 Ų84117.3 Ų117.344%0.4459%0.591SS.*SBendtrans-114.40.4-166.7-68.1169.3000115.2D784 R841D784-L786 VanDerWaalsContact C-N 3.27Å; D784-L786 PolarHBondContact O-N 2.92Å; L786-R841 HydrophobicContact CD1-CB 3.9Å; L786-R841 HydrophobicContact CD1-CG 3.57Å
787K36Very low35.2Very low150 Ų150120.7 Ų120.765%0.65260%0.604SS**SBendtrans-96.3124.9177.9-66.8175.4-178.2168.20109
788E34.8Very low34.9Very low187 Ų187123 Ų12387%0.87461%0.614SS**SBendtrans96.768.2-179.5-61.6-71.1153.600117.8
789K30.9Very low34.6Very low164 Ų164124.9 Ų124.971%0.71364%0.639SS**  trans-168.374.7142.6-111.9177.8-175174.90111
790Y28Very low34Very low213 Ų213129.1 Ų129.184%0.83566%0.66SS**  trans-141.7105.6166.4-90.5-84.1000109.9
791K31.2Very low33.5Very low206 Ų206132.4 Ų132.490%0.89667%0.672SS**SBendtrans-154.1124.7141.3-99.2179.1-170.3179.30108.5
792N28.9Very low32.9Very low156 Ų156135.2 Ų135.283%0.83469%0.687SS**  trans87.7104.9171.7-66-1.5000119.3
793P28.6Very low32.5Very low113 Ų113145.2 Ų145.273%0.73472%0.724SS**  trans-95.6165.2170.138-29.7000112
794L30.3Very low32Very low169 Ų169144.8 Ų144.889%0.88572%0.718SS**  trans141.990.3149.7-75162.1000112.3
795S30.1Very low32Very low125 Ų125140.7 Ų140.787%0.87470%0.697SS**  174.9124.3116.158.20000109.6
796E29.7Very low32.6Very low180 Ų180141.3 Ų141.384%0.84170%0.699SS**  trans-76134.9177.6-66.7167.2130.200110.6
797N30.8Very low33.9Very low139 Ų139139.7 Ų139.774%0.74369%0.691SS**  179.6106.9116.8-91.9-36.4000112.3
798Q28.8Very low35.9Very low180 Ų180134.5 Ų134.584%0.84168%0.676SS**  trans41.8110.2132.2-58.81789.900119.7
799A30.1Very low38.3Very low105 Ų105126.1 Ų126.187%0.86864%0.638SS**  177.7134.2107.800000111.6
800K27.6Very low41.1Very low200 Ų200123 Ų12387%0.8762%0.624SS**  trans-64.5136.8-177-66.1164.7171177.10112.6
801H31.9Very low43.9Very low166 Ų166112.9 Ų112.977%0.76959%0.585SS**  trans-176.3130.4131.4-105.8-74.2000112.5
802D29.2Very low46.4Very low99 Ų99106.9 Ų106.953%0.52957%0.567SS.*  trans17.694.2161.5-56.5-53.4000118.9
803R31.9Very low49Very low225 Ų225107 Ų10785%0.84957%0.568SS**  trans-68.6136.2161.8-75.6-177.6179.8177.10.3109.4
804L34Very low51.9Low26 Ų26102.3 Ų102.314%0.13654%0.536CS..  trans-44.8155.8160-83.365.6000108.9T621 H739 P741T621-L804 WeakPolarHBondContact O-CD2 3.47Å; H739-L804 WeakPolarHBondContact O-CD2 3.37Å; H739-L804 VanDerWaalsContact O-CG 3.29Å; H739-L804 WeakPolarHBondContact O-CG 3.06Å; P741-L804 HydrophobicContact CB-CD1 3.31Å; P741-L804 HydrophobicContact CB-CG 4.02Å; P741-L804 HydrophobicContact CG-CD1 3.5Å; P741-L804 VanDerWaalsContact CG-CD1 3.5Å; P741-L804 HydrophobicContact CG-CG 4.12Å
805P45.1Very low54.7Low6 Ų694.3 Ų94.34%0.03950%0.495CS..  trans-52.7164.316728.1000110.2H739 Q819 F820H739-P805 HydrophobicContact CB-CB 4.46Å; H739-P805 HydrophobicContact CB-CG 3.57Å; H739-P805 WeakPolarHBondContact CD2-CB 3.24Å; H739-P805 VanDerWaalsContact CD2-CG 3.4Å; H739-P805 WeakPolarHBondContact CD2-CG 3.49Å; H739-P805 PolarHBondContact CE1-O 3.05Å; H739-P805 VanDerWaalsContact CG-CD 3.4Å; H739-P805 VanDerWaalsContact ND1-C 3.27Å; H739-P805 VanDerWaalsContact ND1-CD 3.33Å; H739-P805 WeakPolarHBondContact ND1-CD 3.35Å; H739-P805 WeakPolarHBondContact ND1-CG 3.48Å; H739-P805 PolarHBondContact ND1-O 3.21Å; H739-P805 WeakPolarHBondContact NE2-CB 3.23Å; P805-Q819 CarbonylContact C-O 3.53Å; P805-Q819 WeakPolarHBondContact CA-O 3.34Å; P805-Q819 WeakPolarHBondContact CB-O 3.32Å; P805-F820 HydrophobicContact CB-CB 4.49Å; P805-F820 HydrophobicContact CB-CD1 4Å; P805-F820 HydrophobicContact CB-CE1 4.28Å; P805-F820 HydrophobicContact CB-CG 4.13Å; P805-F820 HydrophobicContact CG-CD1 3.51Å; P805-F820 HydrophobicContact CG-CE1 3.42Å; P805-F820 VanDerWaalsContact CG-CE1 3.42Å; P805-F820 HydrophobicContact CG-CE2 4.49Å; P805-F820 HydrophobicContact CG-CG 4.12Å; P805-F820 HydrophobicContact CG-CZ 3.94Å
806T50.1Low57.7Low74 Ų7494.7 Ų94.745%0.45448%0.477SS..EExtended strand (participates in β ladder)trans-126.6112.4172.441.10000103.3H739 Q819H739-T806 PolarHBondContact CE1-N 3.1Å; T806-Q819 PolarHBondContact N-O 3.02Å
807N63.6Low60.6Low50 Ų5086.1 Ų86.127%0.26744%0.437SS..EExtended strand (participates in β ladder)trans75101175.1-43.3-33.3000114.9H739 V892 I896H739-N807 PolarHBondContact CE1-N 2.96Å; H739-N807 PolarHBondContact NE2-N 3.03Å; N807-V892 HydrophobicContact CB-CG1 4.45Å; N807-I896 WeakPolarHBondContact OD1-CD1 3.39Å
808A78.4Confident63.2Low42 Ų4280.5 Ų80.535%0.34741%0.409SS..EExtended strand (participates in β ladder)trans-89.4133.5160.200000108.6H739 W816 A817 S818H739-A808 PolarHBondContact NE2-N 3.15Å; A808-W816 HydrophobicContact CB-CE3 4.36Å; A808-A817 CarbonylContact C-O 3.07Å; A808-A817 WeakPolarHBondContact CA-O 3.42Å; A808-S818 VanDerWaalsContact CB-OG 3.22Å; A808-S818 WeakPolarHBondContact CB-OG 3.36Å
809V85.3Confident65.8Low11 Ų1174.2 Ų74.27%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-128.6129.9-179.8178.30000108.5V811 A817 Q888 L889 V892V809-V811 HydrophobicContact CG1-CG2 4.5Å; V809-A817 PolarHBondContact N-O 3.38Å; V809-A817 PolarHBondContact O-N 2.63Å; V809-Q888 HydrophobicContact CG1-CB 4.04Å; V809-L889 HydrophobicContact CB-CD2 4.12Å; V809-L889 HydrophobicContact CG2-CD2 3.87Å; V809-V892 HydrophobicContact CB-CG2 4.4Å; V809-V892 HydrophobicContact CG1-CG2 4Å; V809-V892 HydrophobicContact CG2-CB 3.61Å; V809-V892 HydrophobicContact CG2-CG1 3.89Å; V809-V892 HydrophobicContact CG2-CG2 3.46Å; V809-V892 VanDerWaalsContact CG2-CG2 3.46Å
810F89.1Confident67.8Low97 Ų9770.5 Ų70.543%0.42534%0.344SS..EExtended strand (participates in β ladder)trans-77.8122.2168.7-176.5-103.5000109W816F810-W816 HydrophobicContact CB-CD2 4.24Å; F810-W816 HydrophobicContact CB-CE3 4.1Å; F810-W816 HydrophobicContact CB-CH2 4.05Å; F810-W816 HydrophobicContact CB-CZ2 4.17Å; F810-W816 HydrophobicContact CB-CZ3 4.01Å; F810-W816 HydrophobicContact CD2-CD2 4.11Å; F810-W816 AromaticContact CD2-CE2 3.8Å; F810-W816 HydrophobicContact CD2-CG 4.27Å; F810-W816 HydrophobicContact CD2-CZ2 4.25Å; F810-W816 AromaticContact CD2-NE1 3.73Å
811V86.7Confident69.9Low2 Ų262.7 Ų62.71%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-104.4111.5177.5-178.20000107V809 N813 V814 G815 A817 T884 V885 Q888V809-V811 HydrophobicContact CG1-CG2 4.5Å; V811-N813 PolarHBondContact O-N 2.97Å; V811-V814 HydrophobicContact CB-CB 4.05Å; V811-V814 HydrophobicContact CG1-CB 3.91Å; V811-V814 HydrophobicContact CG1-CG2 3.84Å; V811-V814 PolarHBondContact O-N 2.83Å; V811-G815 PolarHBondContact N-O 3.33Å; V811-G815 PolarHBondContact O-N 3.27Å; V811-A817 HydrophobicContact CG2-CB 4.22Å; V811-T884 HydrophobicContact CG1-CG2 4.26Å; V811-V885 HydrophobicContact CG1-CG2 4.33Å; V811-V885 HydrophobicContact CG2-CG2 4.26Å; V811-Q888 HydrophobicContact CG1-CG 4.36Å; V811-Q888 HydrophobicContact CG2-CB 3.96Å; V811-Q888 HydrophobicContact CG2-CG 4.25Å
812P83.3Confident71.8Confident80 Ų8061.3 Ų61.352%0.51931%0.313SS..THydrogen-bonded Turntrans-49.2138.9180-2834.6000112.1V814P812-V814 PolarHBondContact O-N 3.45Å
813N85Confident74.4Confident159 Ų15959.2 Ų59.285%0.8530%0.302SS*.THydrogen-bonded Turntrans62.6-1.5-177-52.9-32.5000116.7V811V811-N813 PolarHBondContact O-N 2.97Å
814V89.5Confident76.9Confident13 Ų1353.3 Ų53.38%0.07928%0.279CS..THydrogen-bonded Turntrans-110.7-59.9177179.70000110.1V811 P812 V827 F829 N830 V881 V885V811-V814 HydrophobicContact CB-CB 4.05Å; V811-V814 HydrophobicContact CG1-CB 3.91Å; V811-V814 HydrophobicContact CG1-CG2 3.84Å; V811-V814 PolarHBondContact O-N 2.83Å; P812-V814 PolarHBondContact O-N 3.45Å; V814-V827 HydrophobicContact CG1-CG1 3.85Å; V814-F829 HydrophobicContact CG1-CD1 4Å; V814-F829 HydrophobicContact CG1-CE1 3.85Å; V814-F829 CarbonylContact O-C 3.54Å; V814-F829 WeakPolarHBondContact O-CA 3.42Å; V814-N830 PolarHBondContact O-N 3.1Å; V814-V881 HydrophobicContact CG1-CG2 3.87Å; V814-V881 HydrophobicContact CG2-CB 3.96Å; V814-V881 HydrophobicContact CG2-CG1 4.16Å; V814-V881 HydrophobicContact CG2-CG2 4.12Å; V814-V885 HydrophobicContact CG1-CG2 4.01Å
815G89.2Confident79.6Confident1 Ų152.3 Ų52.31%0.0127%0.274CS..EExtended strand (participates in β ladder)trans136.3-151.6-176.200000112.9V811 Q828 N830V811-G815 PolarHBondContact N-O 3.33Å; V811-G815 PolarHBondContact O-N 3.27Å; G815-Q828 CarbonylContact C-O 3.39Å; G815-Q828 WeakPolarHBondContact CA-O 3.36Å; G815-N830 WeakPolarHBondContact CA-OD1 3.26Å
816W92Very high81.8Confident134 Ų13453.9 Ų53.951%0.50828%0.281SS..EExtended strand (participates in β ladder)trans-92121.4-177.6-71.791.1000111.4A808 F810 V827 Q828A808-W816 HydrophobicContact CB-CE3 4.36Å; F810-W816 HydrophobicContact CB-CD2 4.24Å; F810-W816 HydrophobicContact CB-CE3 4.1Å; F810-W816 HydrophobicContact CB-CH2 4.05Å; F810-W816 HydrophobicContact CB-CZ2 4.17Å; F810-W816 HydrophobicContact CB-CZ3 4.01Å; F810-W816 HydrophobicContact CD2-CD2 4.11Å; F810-W816 AromaticContact CD2-CE2 3.8Å; F810-W816 HydrophobicContact CD2-CG 4.27Å; F810-W816 HydrophobicContact CD2-CZ2 4.25Å; F810-W816 AromaticContact CD2-NE1 3.73Å; W816-V827 CarbonylContact O-C 3.57Å; W816-V827 WeakPolarHBondContact O-CA 3.44Å; W816-Q828 PolarHBondContact N-O 3.38Å; W816-Q828 PolarHBondContact O-N 2.91Å
817A91Very high83.9Confident0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-10414317100000110.8A808 V809 V811 Q826 V827 V885 L889A808-A817 CarbonylContact C-O 3.07Å; A808-A817 WeakPolarHBondContact CA-O 3.42Å; V809-A817 PolarHBondContact N-O 3.38Å; V809-A817 PolarHBondContact O-N 2.63Å; V811-A817 HydrophobicContact CG2-CB 4.22Å; A817-Q826 CarbonylContact C-O 3.47Å; A817-Q826 WeakPolarHBondContact CA-O 3.43Å; A817-V827 HydrophobicContact CB-CG2 4.2Å; A817-V885 HydrophobicContact CB-CG1 3.32Å; A817-L889 HydrophobicContact CB-CD1 4.13Å; A817-L889 HydrophobicContact CB-CD2 4.34Å; A817-L889 HydrophobicContact CB-CG 4.3Å
818S85.8Confident85.3Confident21 Ų2152 Ų5215%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-146.4128.9178.7-59.70000110.6A808 Q826A808-S818 VanDerWaalsContact CB-OG 3.22Å; A808-S818 WeakPolarHBondContact CB-OG 3.36Å; S818-Q826 PolarHBondContact N-O 3.05Å; S818-Q826 PolarHBondContact O-N 3.37Å
819Q83.6Confident86Confident48 Ų4850.9 Ų50.922%0.22425%0.253CS..EExtended strand (participates in β ladder)trans-93.6113.8173.7-169.9168.38.900109.4P805 T806 S821 R824 Y839P805-Q819 CarbonylContact C-O 3.53Å; P805-Q819 WeakPolarHBondContact CA-O 3.34Å; P805-Q819 WeakPolarHBondContact CB-O 3.32Å; T806-Q819 PolarHBondContact N-O 3.02Å; Q819-S821 VanDerWaalsContact CG-O 3.27Å; Q819-S821 WeakPolarHBondContact CG-O 3.49Å; Q819-R824 CarbonylContact C-O 3.56Å; Q819-Y839 PolarHBondContact NE2-OH 3.49Å
820F71.6Confident86.1Confident26 Ų2654.8 Ų54.811%0.11427%0.273CS..EExtended strand (participates in β ladder)trans-74.8-36-178.1-78.5-93.3000112.7K742 P805 R824 Q826 L836K742-F820 HydrophobicContact CD-CD1 3.97Å; K742-F820 HydrophobicContact CD-CE1 3.68Å; K742-F820 HydrophobicContact CG-CE1 4.29Å; P805-F820 HydrophobicContact CB-CB 4.49Å; P805-F820 HydrophobicContact CB-CD1 4Å; P805-F820 HydrophobicContact CB-CE1 4.28Å; P805-F820 HydrophobicContact CB-CG 4.13Å; P805-F820 HydrophobicContact CG-CD1 3.51Å; P805-F820 HydrophobicContact CG-CE1 3.42Å; P805-F820 VanDerWaalsContact CG-CE1 3.42Å; P805-F820 HydrophobicContact CG-CE2 4.49Å; P805-F820 HydrophobicContact CG-CG 4.12Å; P805-F820 HydrophobicContact CG-CZ 3.94Å; F820-R824 HydrophobicContact CB-CB 3.83Å; F820-R824 PolarHBondContact N-O 3.11Å; F820-Q826 HydrophobicContact CD2-CB 3.96Å; F820-Q826 HydrophobicContact CE2-CB 3.44Å; F820-Q826 VanDerWaalsContact CE2-CB 3.44Å; F820-Q826 HydrophobicContact CE2-CG 4.24Å; F820-L836 HydrophobicContact CD2-CD1 4.42Å
821S71.9Confident86.1Confident37 Ų3754 Ų5426%0.25927%0.274SS..EExtended strand (participates in β ladder)trans-165.7173.6-176.8440000107.9Q819 D823 R824Q819-S821 VanDerWaalsContact CG-O 3.27Å; Q819-S821 WeakPolarHBondContact CG-O 3.49Å; S821-D823 WeakPolarHBondContact CB-OD1 3.47Å; S821-D823 PolarHBondContact O-N 3.13Å; S821-D823 PolarHBondContact OG-OD1 3.08Å; S821-R824 PolarHBondContact O-N 2.85Å; S821-R824 VanDerWaalsContact O-N 3.12Å; S821-R824 WeakPolarHBondContact OG-CB 3.36Å
822D72.6Confident86.1Confident137 Ų13755 Ų5573%0.73328%0.284SS*.THydrogen-bonded Turntrans-59-13179.4-60.9-20.4000113.5Y839D822-Y839 WeakPolarHBondContact O-CE2 3.11Å; D822-Y839 PolarHBondContact O-OH 2.86Å
823D82.2Confident86.5Confident55 Ų5551.1 Ų51.129%0.29426%0.259SS..THydrogen-bonded Turntrans-117.92.6-177.267.1-29.2000114.1S821 V838 Y839S821-D823 WeakPolarHBondContact CB-OD1 3.47Å; S821-D823 PolarHBondContact O-N 3.13Å; S821-D823 PolarHBondContact OG-OD1 3.08Å; D823-V838 CarbonylContact O-C 3.54Å; D823-V838 WeakPolarHBondContact O-CA 3.5Å; D823-Y839 WeakPolarHBondContact CA-O 2.91Å; D823-Y839 WeakPolarHBondContact CB-O 3.39Å; D823-Y839 WeakPolarHBondContact O-CD1 3.49Å; D823-Y839 PolarHBondContact O-N 2.94Å
824R85.9Confident86.8Confident100 Ų10047.5 Ų47.538%0.37724%0.236SC..EExtended strand (participates in β ladder)trans-139.5120.7-175.1-69.7179.6-178.7-163.8-3.6113.5Q819 F820 S821 L836 L837 V838Q819-R824 CarbonylContact C-O 3.56Å; F820-R824 HydrophobicContact CB-CB 3.83Å; F820-R824 PolarHBondContact N-O 3.11Å; S821-R824 PolarHBondContact O-N 2.85Å; S821-R824 VanDerWaalsContact O-N 3.12Å; S821-R824 WeakPolarHBondContact OG-CB 3.36Å; R824-L836 HydrophobicContact CB-CD1 4.33Å; R824-L837 WeakPolarHBondContact CA-O 3.21Å; R824-V838 HydrophobicContact CG-CG1 3.95Å
825L89.6Confident87Confident6 Ų646.9 Ų46.93%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-124.5122.9178.6170.361.7000110.1L836 L837 Y839 M882 I886 L889L825-L836 CarbonylContact O-C 3.47Å; L825-L836 WeakPolarHBondContact O-CA 3.27Å; L825-L837 HydrophobicContact CB-CB 4.41Å; L825-L837 HydrophobicContact CD2-CD1 4.27Å; L825-L837 PolarHBondContact N-O 3.23Å; L825-L837 PolarHBondContact O-N 3.07Å; L825-Y839 HydrophobicContact CB-CE1 3.78Å; L825-M882 HydrophobicContact CD2-SD 4.38Å; L825-I886 HydrophobicContact CD2-CD1 4.21Å; L825-I886 HydrophobicContact CD2-CG1 3.93Å; L825-L889 HydrophobicContact CD1-CD1 3.29Å
826Q92.5Very high87.1Confident38 Ų3848.2 Ų48.218%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-112.3139.2175.4-167.2177.1-23.400111.3A817 S818 F820 L835 L836A817-Q826 CarbonylContact C-O 3.47Å; A817-Q826 WeakPolarHBondContact CA-O 3.43Å; S818-Q826 PolarHBondContact N-O 3.05Å; S818-Q826 PolarHBondContact O-N 3.37Å; F820-Q826 HydrophobicContact CD2-CB 3.96Å; F820-Q826 HydrophobicContact CE2-CB 3.44Å; F820-Q826 VanDerWaalsContact CE2-CB 3.44Å; F820-Q826 HydrophobicContact CE2-CG 4.24Å; Q826-L835 CarbonylContact C-O 3.48Å; Q826-L835 VanDerWaalsContact CA-O 3.25Å; Q826-L835 WeakPolarHBondContact CA-O 3.15Å; Q826-L836 HydrophobicContact CB-CD1 3.98Å; Q826-L836 HydrophobicContact CG-CB 4.27Å
827V93.4Very high87.1Confident2 Ų242.4 Ų42.41%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-123.9122.6170.5-174.20000108.5V814 W816 A817 F829 K834 L835 M882 V885V814-V827 HydrophobicContact CG1-CG1 3.85Å; W816-V827 CarbonylContact O-C 3.57Å; W816-V827 WeakPolarHBondContact O-CA 3.44Å; A817-V827 HydrophobicContact CB-CG2 4.2Å; V827-F829 HydrophobicContact CB-CE2 4.02Å; V827-F829 HydrophobicContact CB-CZ 4.25Å; V827-F829 HydrophobicContact CG1-CD2 4.2Å; V827-F829 HydrophobicContact CG1-CE1 4.2Å; V827-F829 HydrophobicContact CG1-CE2 3.84Å; V827-F829 HydrophobicContact CG1-CZ 3.84Å; V827-K834 CarbonylContact O-C 3.59Å; V827-K834 WeakPolarHBondContact O-CA 3.34Å; V827-L835 PolarHBondContact N-O 3.4Å; V827-L835 PolarHBondContact O-N 3.44Å; V827-M882 HydrophobicContact CB-CE 4.17Å; V827-M882 HydrophobicContact CG2-CE 3.67Å; V827-M882 HydrophobicContact CG2-SD 3.95Å; V827-V885 HydrophobicContact CG2-CG1 3.93Å; V827-V885 HydrophobicContact CG2-CG2 4.43Å
828Q93.2Very high86.9Confident82 Ų8242.6 Ų42.638%0.38322%0.219SC..EExtended strand (participates in β ladder)trans-99.5111.7166.7178.8172.2-16.500107.9G815 W816 A833 K834G815-Q828 CarbonylContact C-O 3.39Å; G815-Q828 WeakPolarHBondContact CA-O 3.36Å; W816-Q828 PolarHBondContact N-O 3.38Å; W816-Q828 PolarHBondContact O-N 2.91Å; Q828-A833 CarbonylContact C-O 3.5Å; Q828-A833 WeakPolarHBondContact CA-O 3.15Å; Q828-K834 HydrophobicContact CB-CG 4.21Å; Q828-K834 HydrophobicContact CG-CG 4.07Å
829F92.8Very high86.8Confident19 Ų1942.8 Ų42.88%0.08322%0.216CC..EExtended strand (participates in β ladder)trans-73.3156.6-178.5-66.8-93.9000111V814 V827 D831 G832 A833 L835 R878 V881 M882V814-F829 HydrophobicContact CG1-CD1 4Å; V814-F829 HydrophobicContact CG1-CE1 3.85Å; V814-F829 CarbonylContact O-C 3.54Å; V814-F829 WeakPolarHBondContact O-CA 3.42Å; V827-F829 HydrophobicContact CB-CE2 4.02Å; V827-F829 HydrophobicContact CB-CZ 4.25Å; V827-F829 HydrophobicContact CG1-CD2 4.2Å; V827-F829 HydrophobicContact CG1-CE1 4.2Å; V827-F829 HydrophobicContact CG1-CE2 3.84Å; V827-F829 HydrophobicContact CG1-CZ 3.84Å; F829-D831 WeakPolarHBondContact CB-OD1 3.27Å; F829-D831 PolarHBondContact O-N 3.24Å; F829-D831 VanDerWaalsContact O-N 3.17Å; F829-G832 PolarHBondContact O-N 2.91Å; F829-A833 HydrophobicContact CB-CB 4.36Å; F829-A833 HydrophobicContact CD2-CB 4.37Å; F829-A833 PolarHBondContact N-O 3.04Å; F829-L835 HydrophobicContact CE2-CB 3.74Å; F829-L835 HydrophobicContact CE2-CD2 4.47Å; F829-R878 HydrophobicContact CD1-CG 4.12Å; F829-R878 HydrophobicContact CD2-CG 4.44Å; F829-R878 HydrophobicContact CE1-CB 3.87Å; F829-R878 HydrophobicContact CE1-CG 3.63Å; F829-R878 HydrophobicContact CE2-CB 4.06Å; F829-R878 HydrophobicContact CE2-CG 4.01Å; F829-R878 HydrophobicContact CZ-CB 3.46Å; F829-R878 VanDerWaalsContact CZ-CB 3.46Å; F829-R878 HydrophobicContact CZ-CG 3.6Å; F829-V881 HydrophobicContact CE1-CG2 3.92Å; F829-V881 HydrophobicContact CZ-CG2 4.43Å; F829-M882 HydrophobicContact CZ-CE 4.05Å
830N88.3Confident86.4Confident93 Ų9344 Ų4450%0.49722%0.224SC..THydrogen-bonded Turntrans-58.8-25.9179.9-74.1-16.7000113.6V814 G815 G832V814-N830 PolarHBondContact O-N 3.1Å; G815-N830 WeakPolarHBondContact CA-OD1 3.26Å; N830-G832 PolarHBondContact O-N 3.33Å
831D88.7Confident86Confident81 Ų8150.5 Ų50.543%0.43325%0.248SC..THydrogen-bonded Turntrans-77.3-2174.765.23.8000113.9F829 A833 P852 R878F829-D831 WeakPolarHBondContact CB-OD1 3.27Å; F829-D831 PolarHBondContact O-N 3.24Å; F829-D831 VanDerWaalsContact O-N 3.17Å; D831-A833 WeakPolarHBondContact OD1-CB 3.48Å; D831-A833 PolarHBondContact OD1-N 2.89Å; D831-P852 WeakPolarHBondContact O-CB 3.48Å; D831-R878 IonicContact OD2-CZ 3.7Å; D831-R878 IonicContact OD2-NH2 2.79Å; D831-R878 PolarHBondContact OD2-NH2 2.7Å
832G86.5Confident85.7Confident22 Ų2252 Ų5223%0.22726%0.256CS..SBendtrans91.6-8.4-178.200000114.9F829 N830F829-G832 PolarHBondContact O-N 2.91Å; N830-G832 PolarHBondContact O-N 3.33Å
833A90.6Very high85.7Confident0 Ų049.2 Ų49.20%024%0.241CC..  trans-63.6146.5174.500000110.9Q828 F829 D831 Y849 S850 P852Q828-A833 CarbonylContact C-O 3.5Å; Q828-A833 WeakPolarHBondContact CA-O 3.15Å; F829-A833 HydrophobicContact CB-CB 4.36Å; F829-A833 HydrophobicContact CD2-CB 4.37Å; F829-A833 PolarHBondContact N-O 3.04Å; D831-A833 WeakPolarHBondContact OD1-CB 3.48Å; D831-A833 PolarHBondContact OD1-N 2.89Å; A833-Y849 HydrophobicContact CB-CE2 3.9Å; A833-S850 CarbonylContact C-O 3.59Å; A833-S850 WeakPolarHBondContact CA-O 3.49Å; A833-P852 HydrophobicContact CB-CG 3.9Å
834K92.1Very high85.6Confident83 Ų8347.8 Ų47.836%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-120.8136176.1-64.7174.3-178.3170.80110.1V827 Q828 Y849 S850V827-K834 CarbonylContact O-C 3.59Å; V827-K834 WeakPolarHBondContact O-CA 3.34Å; Q828-K834 HydrophobicContact CB-CG 4.21Å; Q828-K834 HydrophobicContact CG-CG 4.07Å; K834-Y849 CarbonylContact O-C 3.49Å; K834-Y849 VanDerWaalsContact O-CA 3.32Å; K834-Y849 WeakPolarHBondContact O-CA 3.46Å; K834-Y849 WeakPolarHBondContact O-CD2 3.12Å; K834-S850 PolarHBondContact N-O 3.45Å; K834-S850 PolarHBondContact O-N 3.04Å
835L93.1Very high85.5Confident0 Ų047.5 Ų47.50%023%0.233CC..EExtended strand (participates in β ladder)trans-126.8119.8174.4-166.180.1000108.8Q826 V827 F829 L837 I847 H848 Y849 I875 L879 M882Q826-L835 CarbonylContact C-O 3.48Å; Q826-L835 VanDerWaalsContact CA-O 3.25Å; Q826-L835 WeakPolarHBondContact CA-O 3.15Å; V827-L835 PolarHBondContact N-O 3.4Å; V827-L835 PolarHBondContact O-N 3.44Å; F829-L835 HydrophobicContact CE2-CB 3.74Å; F829-L835 HydrophobicContact CE2-CD2 4.47Å; L835-L837 HydrophobicContact CD2-CD2 4.14Å; L835-L837 HydrophobicContact CG-CD2 4.37Å; L835-I847 HydrophobicContact CD1-CG2 3.49Å; L835-I847 VanDerWaalsContact CD1-CG2 3.49Å; L835-I847 HydrophobicContact CG-CG2 4.1Å; L835-H848 CarbonylContact C-O 3.49Å; L835-H848 WeakPolarHBondContact CA-O 3.33Å; L835-Y849 HydrophobicContact CD1-CD2 3.84Å; L835-Y849 HydrophobicContact CD1-CG 4.43Å; L835-I875 HydrophobicContact CD1-CG2 4.03Å; L835-L879 HydrophobicContact CD2-CD2 3.87Å; L835-L879 HydrophobicContact CD2-CG 4.41Å; L835-M882 HydrophobicContact CD2-CE 3.59Å
836L92.2Very high85.3Confident29 Ų2947.6 Ų47.615%0.15224%0.235CC..EExtended strand (participates in β ladder)trans-113.3113.6174.3168.872.6000108.9F820 R824 L825 Q826 V838 H848F820-L836 HydrophobicContact CD2-CD1 4.42Å; R824-L836 HydrophobicContact CB-CD1 4.33Å; L825-L836 CarbonylContact O-C 3.47Å; L825-L836 WeakPolarHBondContact O-CA 3.27Å; Q826-L836 HydrophobicContact CB-CD1 3.98Å; Q826-L836 HydrophobicContact CG-CB 4.27Å; L836-V838 HydrophobicContact CG-CG2 4.28Å; L836-H848 HydrophobicContact CB-CB 4.16Å; L836-H848 PolarHBondContact N-O 3.12Å; L836-H848 PolarHBondContact O-N 3.22Å
837L90.7Very high85.2Confident11 Ų1146.4 Ų46.46%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-88.8128.6172.6-56178.7000109.3R824 L825 L835 Y839 V844 I847 L879 M882R824-L837 WeakPolarHBondContact CA-O 3.21Å; L825-L837 HydrophobicContact CB-CB 4.41Å; L825-L837 HydrophobicContact CD2-CD1 4.27Å; L825-L837 PolarHBondContact N-O 3.23Å; L825-L837 PolarHBondContact O-N 3.07Å; L835-L837 HydrophobicContact CD2-CD2 4.14Å; L835-L837 HydrophobicContact CG-CD2 4.37Å; L837-Y839 HydrophobicContact CB-CD1 4.4Å; L837-V844 HydrophobicContact CD2-CG1 4.37Å; L837-I847 HydrophobicContact CD2-CB 4.32Å; L837-I847 HydrophobicContact CD2-CD1 4Å; L837-I847 HydrophobicContact CD2-CG1 3.74Å; L837-I847 HydrophobicContact CD2-CG2 4Å; L837-L879 HydrophobicContact CD1-CD2 4.22Å; L837-L879 HydrophobicContact CD2-CD2 3.72Å; L837-M882 HydrophobicContact CD1-CG 4.2Å; L837-M882 HydrophobicContact CD1-SD 3.74Å
838V87.1Confident85.1Confident5 Ų549.6 Ų49.63%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-115.7118.1173.3-158.50000107.5D823 R824 L836 V844 Y845 A846D823-V838 CarbonylContact O-C 3.54Å; D823-V838 WeakPolarHBondContact O-CA 3.5Å; R824-V838 HydrophobicContact CG-CG1 3.95Å; L836-V838 HydrophobicContact CG-CG2 4.28Å; V838-V844 CarbonylContact O-C 3.54Å; V838-Y845 HydrophobicContact CB-CD2 4.48Å; V838-Y845 HydrophobicContact CB-CE1 4.33Å; V838-Y845 HydrophobicContact CB-CE2 3.99Å; V838-Y845 HydrophobicContact CG1-CD2 4.42Å; V838-Y845 HydrophobicContact CG1-CE1 3.74Å; V838-Y845 HydrophobicContact CG1-CE2 3.51Å; V838-Y845 WeakPolarHBondContact CG1-OH 3.14Å; V838-Y845 WeakPolarHBondContact O-CD1 3.42Å; V838-Y845 PolarHBondContact O-N 3.27Å; V838-A846 HydrophobicContact CB-CB 4.22Å; V838-A846 HydrophobicContact CG2-CB 4.3Å; V838-A846 PolarHBondContact N-O 2.91Å; V838-A846 PolarHBondContact O-N 3.12Å
839Y85.2Confident85Confident24 Ų2446.2 Ų46.29%0.09423%0.228CC..EExtended strand (participates in β ladder)trans-141.1155.6-168.161-84.1000111.6I782 Q819 D822 D823 L825 L837 L843I782-Y839 HydrophobicContact CD1-CD2 4.44Å; I782-Y839 HydrophobicContact CG1-CD2 4.35Å; I782-Y839 HydrophobicContact CG2-CD2 4.4Å; Q819-Y839 PolarHBondContact NE2-OH 3.49Å; D822-Y839 WeakPolarHBondContact O-CE2 3.11Å; D822-Y839 PolarHBondContact O-OH 2.86Å; D823-Y839 WeakPolarHBondContact CA-O 2.91Å; D823-Y839 WeakPolarHBondContact CB-O 3.39Å; D823-Y839 WeakPolarHBondContact O-CD1 3.49Å; D823-Y839 PolarHBondContact O-N 2.94Å; L825-Y839 HydrophobicContact CB-CE1 3.78Å; L837-Y839 HydrophobicContact CB-CD1 4.4Å; Y839-L843 CarbonylContact C-O 3.54Å; Y839-L843 WeakPolarHBondContact CA-O 3.39Å; Y839-L843 WeakPolarHBondContact CB-O 3.16Å
840N74.8Confident84.9Confident74 Ų7446 Ų4640%0.39623%0.229SC..  trans-109.3-166.7166.766.722.1000108.8I782 T842 L843I782-N840 WeakPolarHBondContact CG2-O 3.42Å; N840-T842 PolarHBondContact O-N 2.89Å; N840-T842 PolarHBondContact OD1-N 3Å; N840-T842 PolarHBondContact OD1-OG1 2.92Å; N840-L843 PolarHBondContact N-O 3.22Å; N840-L843 PolarHBondContact OD1-N 3.39Å; N840-L843 PolarHBondContact OD1-O 3.31Å
841R63.8Low84.8Confident163 Ų16342.5 Ų42.562%0.61521%0.213SC*.SBendtrans-59.6-15.9179.9-61.5-166.7170.4177.7-2.1115I782 L786I782-R841 VanDerWaalsContact CG2-C 3.42Å; I782-R841 WeakPolarHBondContact CG2-O 3.43Å; L786-R841 HydrophobicContact CD1-CB 3.9Å; L786-R841 HydrophobicContact CD1-CG 3.57Å
842T64.1Low84.5Confident69 Ų6940.5 Ų40.542%0.42321%0.205SC..SBendtrans-132.3-16.9-169.959.40000114.6Y779 N840Y779-T842 HydrophobicContact CD2-CG2 4.28Å; Y779-T842 HydrophobicContact CE2-CG2 3.5Å; Y779-T842 VanDerWaalsContact CE2-CG2 3.5Å; N840-T842 PolarHBondContact O-N 2.89Å; N840-T842 PolarHBondContact OD1-N 3Å; N840-T842 PolarHBondContact OD1-OG1 2.92Å
843L73Confident83.8Confident78 Ų7844 Ų4441%0.40822%0.223SC..  trans-151.3136.3-168.5-15888.4000111.3Y839 N840 Y845 T867Y839-L843 CarbonylContact C-O 3.54Å; Y839-L843 WeakPolarHBondContact CA-O 3.39Å; Y839-L843 WeakPolarHBondContact CB-O 3.16Å; N840-L843 PolarHBondContact N-O 3.22Å; N840-L843 PolarHBondContact OD1-N 3.39Å; N840-L843 PolarHBondContact OD1-O 3.31Å; L843-Y845 PolarHBondContact O-N 3.22Å; L843-T867 HydrophobicContact CD2-CG2 3.43Å; L843-T867 VanDerWaalsContact CD2-CG2 3.43Å; L843-T867 HydrophobicContact CG-CG2 4.05Å
844V81.4Confident82.7Confident24 Ų2450.1 Ų50.115%0.14525%0.252CS..EExtended strand (participates in β ladder)trans-76.9114.6158.2173.30000106.9L778 L837 V838 I847 T867L778-V844 HydrophobicContact CD2-CB 3.97Å; L778-V844 HydrophobicContact CD2-CG2 3.39Å; L778-V844 HydrophobicContact CG-CG2 4.34Å; L837-V844 HydrophobicContact CD2-CG1 4.37Å; V838-V844 CarbonylContact O-C 3.54Å; V844-I847 HydrophobicContact CG1-CD1 4.26Å; V844-I847 HydrophobicContact CG1-CG1 3.72Å; V844-T867 WeakPolarHBondContact O-CG2 3.46Å
845Y82.8Confident80.9Confident94 Ų9451.4 Ų51.437%0.36927%0.267SS..EExtended strand (participates in β ladder)trans-96.7-19.4-176.762.1-94.2000113.6V838 L843V838-Y845 HydrophobicContact CB-CD2 4.48Å; V838-Y845 HydrophobicContact CB-CE1 4.33Å; V838-Y845 HydrophobicContact CB-CE2 3.99Å; V838-Y845 HydrophobicContact CG1-CD2 4.42Å; V838-Y845 HydrophobicContact CG1-CE1 3.74Å; V838-Y845 HydrophobicContact CG1-CE2 3.51Å; V838-Y845 WeakPolarHBondContact CG1-OH 3.14Å; V838-Y845 WeakPolarHBondContact O-CD1 3.42Å; V838-Y845 PolarHBondContact O-N 3.27Å; L843-Y845 PolarHBondContact O-N 3.22Å
846A84.7Confident79.2Confident8 Ų859.1 Ų59.17%0.06631%0.308CS..EExtended strand (participates in β ladder)trans-149.3145.7172.300000112.4V838 Y865V838-A846 HydrophobicContact CB-CB 4.22Å; V838-A846 HydrophobicContact CG2-CB 4.3Å; V838-A846 PolarHBondContact N-O 2.91Å; V838-A846 PolarHBondContact O-N 3.12Å; A846-Y865 CarbonylContact C-O 3.59Å; A846-Y865 WeakPolarHBondContact CA-O 3.49Å
847I90.5Very high77.2Confident14 Ų1462 Ų627%0.07232%0.32CS..EExtended strand (participates in β ladder)trans-124.4112.3173.7-56.2-174.3000107.6L835 L837 V844 V864 Y865 L871 I875 L879L835-I847 HydrophobicContact CD1-CG2 3.49Å; L835-I847 VanDerWaalsContact CD1-CG2 3.49Å; L835-I847 HydrophobicContact CG-CG2 4.1Å; L837-I847 HydrophobicContact CD2-CB 4.32Å; L837-I847 HydrophobicContact CD2-CD1 4Å; L837-I847 HydrophobicContact CD2-CG1 3.74Å; L837-I847 HydrophobicContact CD2-CG2 4Å; V844-I847 HydrophobicContact CG1-CD1 4.26Å; V844-I847 HydrophobicContact CG1-CG1 3.72Å; I847-V864 WeakPolarHBondContact O-CA 3.4Å; I847-Y865 PolarHBondContact N-O 2.66Å; I847-Y865 PolarHBondContact O-N 3.31Å; I847-L871 HydrophobicContact CD1-CD1 3.87Å; I847-L871 HydrophobicContact CD1-CD2 3.97Å; I847-I875 HydrophobicContact CG2-CG2 4.29Å; I847-L879 HydrophobicContact CD1-CD1 3.94Å; I847-L879 HydrophobicContact CD1-CD2 4.35Å
848H91.1Very high75.5Confident68 Ų6871.1 Ų71.132%0.31536%0.363SS..EExtended strand (participates in β ladder)trans-96.1125.3172.5-57-112.4000109.1L835 L836 Y863 V864L835-H848 CarbonylContact C-O 3.49Å; L835-H848 WeakPolarHBondContact CA-O 3.33Å; L836-H848 HydrophobicContact CB-CB 4.16Å; L836-H848 PolarHBondContact N-O 3.12Å; L836-H848 PolarHBondContact O-N 3.22Å; H848-Y863 CarbonylContact C-O 3.56Å; H848-Y863 WeakPolarHBondContact CA-O 3.42Å; H848-V864 VanDerWaalsContact ND1-CG2 3.35Å; H848-V864 WeakPolarHBondContact ND1-CG2 3.39Å
849Y92.3Very high74Confident12 Ų1277.6 Ų77.65%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-120.2124.1179.4177.5-107.6000110.4A833 K834 L835 A851 E862 Y863 H874 I875A833-Y849 HydrophobicContact CB-CE2 3.9Å; K834-Y849 CarbonylContact O-C 3.49Å; K834-Y849 VanDerWaalsContact O-CA 3.32Å; K834-Y849 WeakPolarHBondContact O-CA 3.46Å; K834-Y849 WeakPolarHBondContact O-CD2 3.12Å; L835-Y849 HydrophobicContact CD1-CD2 3.84Å; L835-Y849 HydrophobicContact CD1-CG 4.43Å; Y849-A851 HydrophobicContact CE1-CB 4.23Å; Y849-E862 CarbonylContact O-C 3.48Å; Y849-E862 WeakPolarHBondContact O-CA 3.4Å; Y849-Y863 AromaticContact CD1-CD2 3.96Å; Y849-Y863 HydrophobicContact CD1-CD2 3.96Å; Y849-Y863 PolarHBondContact N-O 3.18Å; Y849-Y863 PolarHBondContact O-N 2.97Å; Y849-H874 AromaticContact CE1-CD2 3.85Å; Y849-H874 AromaticContact CE1-NE2 3.57Å; Y849-H874 AromaticContact CZ-CD2 3.82Å; Y849-I875 HydrophobicContact CD1-CD1 3.97Å; Y849-I875 HydrophobicContact CD1-CG1 4.31Å; Y849-I875 HydrophobicContact CD2-CD1 4.34Å; Y849-I875 HydrophobicContact CD2-CG1 4.11Å; Y849-I875 HydrophobicContact CE2-CG1 4.49Å; Y849-I875 HydrophobicContact CG-CD1 3.75Å; Y849-I875 HydrophobicContact CG-CG1 4.01Å
850S90.5Very high73Confident13 Ų1379.4 Ų79.49%0.09141%0.412CS..EExtended strand (participates in β ladder)trans-106.6122.8168.7-40.70000108.3A833 K834A833-S850 CarbonylContact C-O 3.59Å; A833-S850 WeakPolarHBondContact CA-O 3.49Å; K834-S850 PolarHBondContact N-O 3.45Å; K834-S850 PolarHBondContact O-N 3.04Å
851A85.4Confident72.9Confident21 Ų2181.2 Ų81.217%0.17442%0.416CS..  trans-63.2155175.600000111.2Y849 P860 K861Y849-A851 HydrophobicContact CE1-CB 4.23Å; A851-P860 WeakPolarHBondContact O-CB 2.93Å; A851-K861 PolarHBondContact N-O 3.29Å; A851-K861 VanDerWaalsContact N-O 3.13Å
852P83.7Confident73.8Confident39 Ų3980.4 Ų80.425%0.25342%0.419SS..  trans-50.5145.7166.8-2635.6000111.5D831 A833 E854D831-P852 WeakPolarHBondContact O-CB 3.48Å; A833-P852 HydrophobicContact CB-CG 3.9Å; P852-E854 PolarHBondContact O-N 3.31Å
853P71.7Confident74.8Confident95 Ų9581.8 Ų81.862%0.61742%0.417SS*.  trans-62.2111174.223.9-30.2000110.3
854E67Low75.6Confident128 Ų12881.5 Ų81.560%0.59842%0.419SS*.  trans-73.6145.7169.4-70.2-178.5173.400109.9P852 D856 Q857P852-E854 PolarHBondContact O-N 3.31Å; E854-D856 PolarHBondContact O-N 3.15Å; E854-Q857 PolarHBondContact O-N 2.89Å
855T54.4Low75.9Confident110 Ų11081.9 Ų81.968%0.67542%0.418SS*.THydrogen-bonded Turntrans-62.2-10.3-164.1-23.40000115.3
856D57.2Low75.8Confident163 Ų16381.3 Ų81.387%0.87242%0.421SS*.THydrogen-bonded Turntrans-126.98-173.8-67.9-41.6000114.8E854E854-D856 PolarHBondContact O-N 3.15Å
857Q49Very low75.2Confident88 Ų8885.4 Ų85.441%0.41145%0.445SS..  trans-118.4123.1177.6-77.8172.232.900112E854 L859E854-Q857 PolarHBondContact O-N 2.89Å; Q857-L859 PolarHBondContact O-N 3.1Å; Q857-L859 VanDerWaalsContact O-N 3.15Å
858E55.9Low74.5Confident203 Ų20389.3 Ų89.395%0.94947%0.474SS*.SBendtrans-65.5-12.7-178.7-76.2-174.8147.300114.4
859L56.4Low73.9Confident141 Ų14188.9 Ų88.974%0.73847%0.474SS*.SBendtrans-142.5128.6179.1-73.3164.2000110.9Q857Q857-L859 PolarHBondContact O-N 3.1Å; Q857-L859 VanDerWaalsContact O-N 3.15Å
860P62.8Low73.3Confident63 Ų6393.8 Ų93.841%0.40951%0.507SS..PPolyproline II helixtrans-65.113517624.6-30.7000110.8A851 E862A851-P860 WeakPolarHBondContact O-CB 2.93Å; P860-E862 PolarHBondContact O-N 3.46Å
861K73Confident72.9Confident112 Ų11294.7 Ų94.749%0.48751%0.511SS..PPolyproline II helixtrans-64.9126174.6-70.8179.4-177.1171.40110.1A851 Y863A851-K861 PolarHBondContact N-O 3.29Å; A851-K861 VanDerWaalsContact N-O 3.13Å; K861-Y863 HydrophobicContact CB-CE2 3.83Å
862E82.2Confident72.9Confident146 Ų14695.5 Ų95.568%0.68251%0.514SS*.EExtended strand (participates in β ladder)trans-100.3135.6173.4-63.2-167.6157.300110.5Y849 P860Y849-E862 CarbonylContact O-C 3.48Å; Y849-E862 WeakPolarHBondContact O-CA 3.4Å; P860-E862 PolarHBondContact O-N 3.46Å
863Y87Confident72.9Confident97 Ų9798.9 Ų98.938%0.3853%0.527SS..EExtended strand (participates in β ladder)trans-122.4142.4176.5-57.4-90.9000108.7H848 Y849 K861H848-Y863 CarbonylContact C-O 3.56Å; H848-Y863 WeakPolarHBondContact CA-O 3.42Å; Y849-Y863 AromaticContact CD1-CD2 3.96Å; Y849-Y863 HydrophobicContact CD1-CD2 3.96Å; Y849-Y863 PolarHBondContact N-O 3.18Å; Y849-Y863 PolarHBondContact O-N 2.97Å; K861-Y863 HydrophobicContact CB-CE2 3.83Å
864V88.3Confident73.5Confident73 Ų7398.1 Ų98.144%0.44252%0.515SS..EExtended strand (participates in β ladder)trans-125.1126.4177.1-173.10000108.3I847 H848I847-V864 WeakPolarHBondContact O-CA 3.4Å; H848-V864 VanDerWaalsContact ND1-CG2 3.35Å; H848-V864 WeakPolarHBondContact ND1-CG2 3.39Å
865Y87.4Confident74.5Confident32 Ų3292 Ų9213%0.12549%0.486CS..EExtended strand (participates in β ladder)trans-117123.6178.6-55.9-92.5000109A846 I847 D869 L871 P872 I875A846-Y865 CarbonylContact C-O 3.59Å; A846-Y865 WeakPolarHBondContact CA-O 3.49Å; I847-Y865 PolarHBondContact N-O 2.66Å; I847-Y865 PolarHBondContact O-N 3.31Å; Y865-D869 HydrophobicContact CD1-CB 4.22Å; Y865-L871 VanDerWaalsContact CB-CD2 3.46Å; Y865-L871 HydrophobicContact CD1-CD2 3.96Å; Y865-L871 HydrophobicContact CD2-CD2 4.07Å; Y865-L871 HydrophobicContact CG-CD2 3.56Å; Y865-P872 HydrophobicContact CE1-CG 3.85Å; Y865-P872 VanDerWaalsContact OH-CG 3.3Å; Y865-P872 WeakPolarHBondContact OH-CG 3.28Å; Y865-I875 HydrophobicContact CD2-CD1 3.79Å; Y865-I875 HydrophobicContact CE2-CD1 3.14Å
866N81.9Confident76Confident81 Ų8191.4 Ų91.443%0.43347%0.472SS..EExtended strand (participates in β ladder)trans-89.5177172.3-53.7-64.3000110.1S868 D869N866-S868 PolarHBondContact O-N 3.28Å; N866-D869 WeakPolarHBondContact CB-OD2 3.24Å; N866-D869 PolarHBondContact N-OD2 3.14Å; N866-D869 PolarHBondContact ND2-OD2 3.3Å; N866-D869 PolarHBondContact O-N 3.3Å
867T72.2Confident77.4Confident94 Ų9491 Ų9158%0.57746%0.458SS*.THydrogen-bonded Turntrans-58.8-20.7-179.245.50000115.5L843 V844L843-T867 HydrophobicContact CD2-CG2 3.43Å; L843-T867 VanDerWaalsContact CD2-CG2 3.43Å; L843-T867 HydrophobicContact CG-CG2 4.05Å; V844-T867 WeakPolarHBondContact O-CG2 3.46Å
868S74.4Confident79.4Confident97 Ų9788.7 Ų88.768%0.67845%0.446SS*.THydrogen-bonded Turntrans-94.6-11.9179.249.60000113.9N866N866-S868 PolarHBondContact O-N 3.28Å
869D79.3Confident81Confident58 Ų5880.9 Ų80.931%0.3141%0.41SS..SBendtrans-87.7132.3-171.1-59.8-34.5000110.1Y865 N866 L871Y865-D869 HydrophobicContact CD1-CB 4.22Å; N866-D869 WeakPolarHBondContact CB-OD2 3.24Å; N866-D869 PolarHBondContact N-OD2 3.14Å; N866-D869 PolarHBondContact ND2-OD2 3.3Å; N866-D869 PolarHBondContact O-N 3.3Å; D869-L871 PolarHBondContact O-N 3.25Å
870P79.2Confident82.4Confident115 Ų11581.2 Ų81.275%0.74741%0.408SS*.PPolyproline II helixtrans-64.4125.4174.726.4-32.6000109.6
871L83Confident83.6Confident33 Ų3380.2 Ų80.217%0.17340%0.401CS..PPolyproline II helixtrans-81.6132.4179.9-67.7168.1000110.4I847 Y865 D869 I875 Y876 L879I847-L871 HydrophobicContact CD1-CD1 3.87Å; I847-L871 HydrophobicContact CD1-CD2 3.97Å; Y865-L871 VanDerWaalsContact CB-CD2 3.46Å; Y865-L871 HydrophobicContact CD1-CD2 3.96Å; Y865-L871 HydrophobicContact CD2-CD2 4.07Å; Y865-L871 HydrophobicContact CG-CD2 3.56Å; D869-L871 PolarHBondContact O-N 3.25Å; L871-I875 HydrophobicContact CD2-CG2 4.12Å; L871-Y876 HydrophobicContact CB-CD2 3.9Å; L871-Y876 HydrophobicContact CB-CE2 3.52Å; L871-Y876 HydrophobicContact CD1-CE1 4.33Å; L871-Y876 VanDerWaalsContact O-CD2 3.31Å; L871-Y876 WeakPolarHBondContact O-CD2 3.31Å; L871-Y876 WeakPolarHBondContact O-CE2 3.42Å; L871-L879 HydrophobicContact CD1-CD1 3.91Å
872P85.1Confident84.3Confident37 Ų3775.2 Ų75.224%0.2438%0.379CS..PPolyproline II helixtrans-59.5146.8169.7-25.732000113.1Y865 H874 I875 Y876Y865-P872 HydrophobicContact CE1-CG 3.85Å; Y865-P872 VanDerWaalsContact OH-CG 3.3Å; Y865-P872 WeakPolarHBondContact OH-CG 3.28Å; P872-H874 WeakPolarHBondContact CB-CE1 3.36Å; P872-H874 WeakPolarHBondContact CB-ND1 3.44Å; P872-H874 PolarHBondContact O-N 3.31Å; P872-H874 VanDerWaalsContact O-N 3.11Å; P872-I875 HydrophobicContact CG-CD1 4.29Å; P872-I875 WeakPolarHBondContact O-CA 3.46Å; P872-I875 WeakPolarHBondContact O-CB 3.42Å; P872-I875 PolarHBondContact O-N 3.49Å; P872-Y876 PolarHBondContact O-N 3.19Å; P872-Y876 VanDerWaalsContact O-N 3.12Å
873E83Confident84.5Confident111 Ų11171.3 Ų71.352%0.51937%0.367SS..Hα-helixtrans-49.6-39.1178178.260.7-161.600113.7I875 Y876 R877E873-I875 VanDerWaalsContact C-N 3.26Å; E873-I875 PolarHBondContact O-N 3.14Å; E873-Y876 WeakPolarHBondContact O-CB 3.45Å; E873-Y876 PolarHBondContact O-N 3.09Å; E873-R877 PolarHBondContact O-N 2.95Å; E873-R877 IonicContact OE1-CZ 3.48Å; E873-R877 IonicContact OE1-NE 2.9Å; E873-R877 PolarHBondContact OE1-NE 3.2Å; E873-R877 IonicContact OE1-NH2 3.15Å; E873-R877 PolarHBondContact OE1-NH2 3.36Å; E873-R877 VanDerWaalsContact OE1-NH2 3.15Å
874H84.7Confident84.4Confident78 Ų7870.5 Ų70.536%0.36137%0.372SS..Hα-helixtrans-70.4-20.3179.666.7-93.2000113.7Y849 P872 R878Y849-H874 AromaticContact CE1-CD2 3.85Å; Y849-H874 AromaticContact CE1-NE2 3.57Å; Y849-H874 AromaticContact CZ-CD2 3.82Å; P872-H874 WeakPolarHBondContact CB-CE1 3.36Å; P872-H874 WeakPolarHBondContact CB-ND1 3.44Å; P872-H874 PolarHBondContact O-N 3.31Å; P872-H874 VanDerWaalsContact O-N 3.11Å; H874-R878 WeakPolarHBondContact O-CG 3.33Å; H874-R878 PolarHBondContact O-NH1 2.81Å
875I88.8Confident84.3Confident0 Ų067 Ų670%035%0.351CS..Hα-helixtrans-85-39.2171.2-66.9174.9000109.6L835 I847 Y849 Y865 L871 P872 E873 R877 R878 L879L835-I875 HydrophobicContact CD1-CG2 4.03Å; I847-I875 HydrophobicContact CG2-CG2 4.29Å; Y849-I875 HydrophobicContact CD1-CD1 3.97Å; Y849-I875 HydrophobicContact CD1-CG1 4.31Å; Y849-I875 HydrophobicContact CD2-CD1 4.34Å; Y849-I875 HydrophobicContact CD2-CG1 4.11Å; Y849-I875 HydrophobicContact CE2-CG1 4.49Å; Y849-I875 HydrophobicContact CG-CD1 3.75Å; Y849-I875 HydrophobicContact CG-CG1 4.01Å; Y865-I875 HydrophobicContact CD2-CD1 3.79Å; Y865-I875 HydrophobicContact CE2-CD1 3.14Å; L871-I875 HydrophobicContact CD2-CG2 4.12Å; P872-I875 HydrophobicContact CG-CD1 4.29Å; P872-I875 WeakPolarHBondContact O-CA 3.46Å; P872-I875 WeakPolarHBondContact O-CB 3.42Å; P872-I875 PolarHBondContact O-N 3.49Å; E873-I875 VanDerWaalsContact C-N 3.26Å; E873-I875 PolarHBondContact O-N 3.14Å; I875-R877 PolarHBondContact O-N 3.25Å; I875-R878 CarbonylContact O-C 3.5Å; I875-R878 WeakPolarHBondContact O-CB 3.49Å; I875-R878 PolarHBondContact O-N 2.85Å; I875-R878 VanDerWaalsContact O-N 3.1Å; I875-L879 HydrophobicContact CG2-CD1 4.16Å; I875-L879 HydrophobicContact CG2-CG 4.41Å; I875-L879 WeakPolarHBondContact O-CG 3.43Å; I875-L879 PolarHBondContact O-N 3.36Å
876Y86Confident84.2Confident97 Ų9766.8 Ų66.838%0.3835%0.351SS..Hα-helixtrans-54.6-51.4173.3-87-68.3000112.5L774 L871 P872 E873 R878 L879 E880L774-Y876 HydrophobicContact CD1-CE1 4.25Å; L871-Y876 HydrophobicContact CB-CD2 3.9Å; L871-Y876 HydrophobicContact CB-CE2 3.52Å; L871-Y876 HydrophobicContact CD1-CE1 4.33Å; L871-Y876 VanDerWaalsContact O-CD2 3.31Å; L871-Y876 WeakPolarHBondContact O-CD2 3.31Å; L871-Y876 WeakPolarHBondContact O-CE2 3.42Å; P872-Y876 PolarHBondContact O-N 3.19Å; P872-Y876 VanDerWaalsContact O-N 3.12Å; E873-Y876 WeakPolarHBondContact O-CB 3.45Å; E873-Y876 PolarHBondContact O-N 3.09Å; Y876-R878 PolarHBondContact O-N 3.35Å; Y876-L879 WeakPolarHBondContact O-CA 3.47Å; Y876-L879 WeakPolarHBondContact O-CB 3.47Å; Y876-L879 PolarHBondContact O-N 3.22Å; Y876-E880 PolarHBondContact O-N 3.14Å; Y876-E880 VanDerWaalsContact O-N 3.13Å
877R86.2Confident84.2Confident154 Ų15470 Ų7058%0.58136%0.362SS*.Hα-helixtrans-59.4-30.2176.9-66.7-177.7-166.21781.5113.8E873 I875E873-R877 PolarHBondContact O-N 2.95Å; E873-R877 IonicContact OE1-CZ 3.48Å; E873-R877 IonicContact OE1-NE 2.9Å; E873-R877 PolarHBondContact OE1-NE 3.2Å; E873-R877 IonicContact OE1-NH2 3.15Å; E873-R877 PolarHBondContact OE1-NH2 3.36Å; E873-R877 VanDerWaalsContact OE1-NH2 3.15Å; I875-R877 PolarHBondContact O-N 3.25Å
878R90.3Very high84.8Confident41 Ų4168.9 Ų68.916%0.15535%0.35CS..Hα-helixtrans-77.9-25.1175.6-78.1-176.6177.784.7-4.4112.6F829 D831 H874 I875 Y876 V881 M882F829-R878 HydrophobicContact CD1-CG 4.12Å; F829-R878 HydrophobicContact CD2-CG 4.44Å; F829-R878 HydrophobicContact CE1-CB 3.87Å; F829-R878 HydrophobicContact CE1-CG 3.63Å; F829-R878 HydrophobicContact CE2-CB 4.06Å; F829-R878 HydrophobicContact CE2-CG 4.01Å; F829-R878 HydrophobicContact CZ-CB 3.46Å; F829-R878 VanDerWaalsContact CZ-CB 3.46Å; F829-R878 HydrophobicContact CZ-CG 3.6Å; D831-R878 IonicContact OD2-CZ 3.7Å; D831-R878 IonicContact OD2-NH2 2.79Å; D831-R878 PolarHBondContact OD2-NH2 2.7Å; H874-R878 WeakPolarHBondContact O-CG 3.33Å; H874-R878 PolarHBondContact O-NH1 2.81Å; I875-R878 CarbonylContact O-C 3.5Å; I875-R878 WeakPolarHBondContact O-CB 3.49Å; I875-R878 PolarHBondContact O-N 2.85Å; I875-R878 VanDerWaalsContact O-N 3.1Å; Y876-R878 PolarHBondContact O-N 3.35Å; R878-V881 WeakPolarHBondContact O-CG2 3.32Å; R878-M882 WeakPolarHBondContact O-CE 3.16Å
879L89Confident85.1Confident38 Ų3864.7 Ų64.720%0.19932%0.32CS..Hα-helixtrans-76.8-27.4172.8-70.5169.6000112.3L835 L837 I847 L871 I875 Y876 V881 M882L835-L879 HydrophobicContact CD2-CD2 3.87Å; L835-L879 HydrophobicContact CD2-CG 4.41Å; L837-L879 HydrophobicContact CD1-CD2 4.22Å; L837-L879 HydrophobicContact CD2-CD2 3.72Å; I847-L879 HydrophobicContact CD1-CD1 3.94Å; I847-L879 HydrophobicContact CD1-CD2 4.35Å; L871-L879 HydrophobicContact CD1-CD1 3.91Å; I875-L879 HydrophobicContact CG2-CD1 4.16Å; I875-L879 HydrophobicContact CG2-CG 4.41Å; I875-L879 WeakPolarHBondContact O-CG 3.43Å; I875-L879 PolarHBondContact O-N 3.36Å; Y876-L879 WeakPolarHBondContact O-CA 3.47Å; Y876-L879 WeakPolarHBondContact O-CB 3.47Å; Y876-L879 PolarHBondContact O-N 3.22Å; L879-V881 PolarHBondContact O-N 3Å; L879-M882 HydrophobicContact CD2-CG 4.09Å; L879-M882 WeakPolarHBondContact O-CB 3.47Å; L879-M882 WeakPolarHBondContact O-CG 3.42Å; L879-M882 PolarHBondContact O-N 3.46Å
880E86.6Confident84.9Confident149 Ų14965.5 Ų65.570%0.69632%0.318SS*.THydrogen-bonded Turntrans-59.3-28.6177.6-71.8-179.7163.300113.5Y876 M882 P883Y876-E880 PolarHBondContact O-N 3.14Å; Y876-E880 VanDerWaalsContact O-N 3.13Å; E880-M882 VanDerWaalsContact C-N 3.32Å; E880-P883 WeakPolarHBondContact O-CD 3.49Å
881V88.4Confident84.7Confident42 Ų4262.9 Ų62.926%0.25530%0.3SS..THydrogen-bonded Turntrans-83.1-6.4177.9-59.50000113.5V814 F829 R878 L879 T884 V885V814-V881 HydrophobicContact CG1-CG2 3.87Å; V814-V881 HydrophobicContact CG2-CB 3.96Å; V814-V881 HydrophobicContact CG2-CG1 4.16Å; V814-V881 HydrophobicContact CG2-CG2 4.12Å; F829-V881 HydrophobicContact CE1-CG2 3.92Å; F829-V881 HydrophobicContact CZ-CG2 4.43Å; R878-V881 WeakPolarHBondContact O-CG2 3.32Å; L879-V881 PolarHBondContact O-N 3Å; V881-T884 WeakPolarHBondContact O-CB 3.29Å; V881-T884 PolarHBondContact O-N 3.01Å; V881-T884 VanDerWaalsContact O-N 3.11Å; V881-V885 WeakPolarHBondContact O-CG2 3.11Å; V881-V885 PolarHBondContact O-N 3.43Å
882M88Confident84Confident6 Ų663.3 Ų63.33%0.0330%0.304CS..Hα-helixtrans-60.7-38.1-175.8-66.8-67144.300114.4L825 V827 F829 L835 L837 R878 L879 E880 T884 V885 I886L825-M882 HydrophobicContact CD2-SD 4.38Å; V827-M882 HydrophobicContact CB-CE 4.17Å; V827-M882 HydrophobicContact CG2-CE 3.67Å; V827-M882 HydrophobicContact CG2-SD 3.95Å; F829-M882 HydrophobicContact CZ-CE 4.05Å; L835-M882 HydrophobicContact CD2-CE 3.59Å; L837-M882 HydrophobicContact CD1-CG 4.2Å; L837-M882 HydrophobicContact CD1-SD 3.74Å; R878-M882 WeakPolarHBondContact O-CE 3.16Å; L879-M882 HydrophobicContact CD2-CG 4.09Å; L879-M882 WeakPolarHBondContact O-CB 3.47Å; L879-M882 WeakPolarHBondContact O-CG 3.42Å; L879-M882 PolarHBondContact O-N 3.46Å; E880-M882 VanDerWaalsContact C-N 3.32Å; M882-T884 VanDerWaalsContact C-N 3.28Å; M882-T884 PolarHBondContact O-N 3.32Å; M882-V885 PolarHBondContact O-N 2.99Å; M882-I886 WeakPolarHBondContact O-CB 3.46Å; M882-I886 WeakPolarHBondContact O-CG1 3.31Å; M882-I886 PolarHBondContact O-N 3.21Å
883P85.1Confident82.8Confident65 Ų6562.9 Ų62.942%0.42230%0.304SS..Hα-helixtrans-57.7-40.8173.3-2636.3000112.7L781 E880 K887L781-P883 HydrophobicContact CD1-CB 4.37Å; L781-P883 HydrophobicContact CD2-CG 4.46Å; E880-P883 WeakPolarHBondContact O-CD 3.49Å; P883-K887 WeakPolarHBondContact O-CB 3.35Å; P883-K887 PolarHBondContact O-N 3.29Å
884T85.4Confident81.4Confident79 Ų7962.9 Ų62.949%0.48531%0.308SS..Hα-helixtrans-67-42.9176-55.20000111.3V811 V881 M882 K887 Q888V811-T884 HydrophobicContact CG1-CG2 4.26Å; V881-T884 WeakPolarHBondContact O-CB 3.29Å; V881-T884 PolarHBondContact O-N 3.01Å; V881-T884 VanDerWaalsContact O-N 3.11Å; M882-T884 VanDerWaalsContact C-N 3.28Å; M882-T884 PolarHBondContact O-N 3.32Å; T884-K887 PolarHBondContact O-N 3.18Å; T884-Q888 WeakPolarHBondContact O-CG 3.42Å; T884-Q888 PolarHBondContact O-N 3.1Å
885V86.9Confident79.6Confident0 Ų066.7 Ų66.70%032%0.323CS..Hα-helixtrans-60.6-48176.2170.40000111.4V811 V814 A817 V827 V881 M882 K887 Q888 L889V811-V885 HydrophobicContact CG1-CG2 4.33Å; V811-V885 HydrophobicContact CG2-CG2 4.26Å; V814-V885 HydrophobicContact CG1-CG2 4.01Å; A817-V885 HydrophobicContact CB-CG1 3.32Å; V827-V885 HydrophobicContact CG2-CG1 3.93Å; V827-V885 HydrophobicContact CG2-CG2 4.43Å; V881-V885 WeakPolarHBondContact O-CG2 3.11Å; V881-V885 PolarHBondContact O-N 3.43Å; M882-V885 PolarHBondContact O-N 2.99Å; V885-K887 PolarHBondContact O-N 2.91Å; V885-Q888 PolarHBondContact O-N 3.33Å; V885-L889 HydrophobicContact CG1-CD1 3.9Å; V885-L889 WeakPolarHBondContact O-CG 3.48Å; V885-L889 PolarHBondContact O-N 3.37Å
886I84.6Confident77.2Confident27 Ų2771.6 Ų71.614%0.13835%0.348CS..Hα-helixtrans-65.9-39-180-71.9163.2000110.8L781 L825 M882 Q888 L889 R890L781-I886 HydrophobicContact CD2-CD1 3.3Å; L781-I886 HydrophobicContact CG-CD1 3.83Å; L781-I886 HydrophobicContact CG-CG2 4.48Å; L825-I886 HydrophobicContact CD2-CD1 4.21Å; L825-I886 HydrophobicContact CD2-CG1 3.93Å; M882-I886 WeakPolarHBondContact O-CB 3.46Å; M882-I886 WeakPolarHBondContact O-CG1 3.31Å; M882-I886 PolarHBondContact O-N 3.21Å; I886-Q888 VanDerWaalsContact C-N 3.34Å; I886-Q888 PolarHBondContact O-N 3.42Å; I886-L889 PolarHBondContact O-N 2.9Å; I886-R890 HydrophobicContact CG2-CG 4.5Å; I886-R890 WeakPolarHBondContact O-CB 3.5Å; I886-R890 VanDerWaalsContact O-CG 3.31Å; I886-R890 WeakPolarHBondContact O-CG 3.17Å; I886-R890 PolarHBondContact O-N 3.44Å
887K82.6Confident75Confident150 Ų15072.1 Ų72.165%0.65236%0.356SS*.Hα-helixtrans-59.6-43173.2-175179.8179-178.10111.9P883 T884 V885 R890 T891P883-K887 WeakPolarHBondContact O-CB 3.35Å; P883-K887 PolarHBondContact O-N 3.29Å; T884-K887 PolarHBondContact O-N 3.18Å; V885-K887 PolarHBondContact O-N 2.91Å; K887-R890 PolarHBondContact O-N 3.42Å; K887-T891 PolarHBondContact O-N 2.76Å; K887-T891 PolarHBondContact O-OG1 2.91Å
888Q83.3Confident72.4Confident69 Ų6971.6 Ų71.632%0.32238%0.377SS..Hα-helixtrans-69-42.2178.3-75-67.40.100112.3V809 V811 T884 V885 I886 R890 T891 V892V809-Q888 HydrophobicContact CG1-CB 4.04Å; V811-Q888 HydrophobicContact CG1-CG 4.36Å; V811-Q888 HydrophobicContact CG2-CB 3.96Å; V811-Q888 HydrophobicContact CG2-CG 4.25Å; T884-Q888 WeakPolarHBondContact O-CG 3.42Å; T884-Q888 PolarHBondContact O-N 3.1Å; V885-Q888 PolarHBondContact O-N 3.33Å; I886-Q888 VanDerWaalsContact C-N 3.34Å; I886-Q888 PolarHBondContact O-N 3.42Å; Q888-R890 VanDerWaalsContact C-N 3.33Å; Q888-R890 PolarHBondContact O-N 3.32Å; Q888-T891 PolarHBondContact O-N 2.86Å; Q888-V892 PolarHBondContact O-N 3.18Å; Q888-V892 VanDerWaalsContact O-N 3.12Å
889L81.4Confident71.5Confident9 Ų973.2 Ų73.25%0.04739%0.388CS..Hα-helixtrans-60-41.3174-74.5167.4000112.3V809 A817 L825 V885 I886 V892 A893V809-L889 HydrophobicContact CB-CD2 4.12Å; V809-L889 HydrophobicContact CG2-CD2 3.87Å; A817-L889 HydrophobicContact CB-CD1 4.13Å; A817-L889 HydrophobicContact CB-CD2 4.34Å; A817-L889 HydrophobicContact CB-CG 4.3Å; L825-L889 HydrophobicContact CD1-CD1 3.29Å; V885-L889 HydrophobicContact CG1-CD1 3.9Å; V885-L889 WeakPolarHBondContact O-CG 3.48Å; V885-L889 PolarHBondContact O-N 3.37Å; I886-L889 PolarHBondContact O-N 2.9Å; L889-V892 PolarHBondContact O-N 3.36Å; L889-A893 WeakPolarHBondContact O-CB 3.5Å; L889-A893 PolarHBondContact O-N 2.69Å
890R76Confident70.6Confident75 Ų7575 Ų7528%0.28340%0.398SS..Hα-helixtrans-65.2-39.6174.2-73.1178.5-174.8176.84.5112.6L781 C785 I886 K887 Q888 V892 A893 N894L781-R890 PolarHBondContact O-NH2 3.31Å; C785-R890 PolarHBondContact SG-NE 3.25Å; C785-R890 VanDerWaalsContact SG-NE 3.35Å; C785-R890 PolarHBondContact SG-NH2 3.36Å; I886-R890 HydrophobicContact CG2-CG 4.5Å; I886-R890 WeakPolarHBondContact O-CB 3.5Å; I886-R890 VanDerWaalsContact O-CG 3.31Å; I886-R890 WeakPolarHBondContact O-CG 3.17Å; I886-R890 PolarHBondContact O-N 3.44Å; K887-R890 PolarHBondContact O-N 3.42Å; Q888-R890 VanDerWaalsContact C-N 3.33Å; Q888-R890 PolarHBondContact O-N 3.32Å; R890-V892 VanDerWaalsContact C-N 3.29Å; R890-V892 PolarHBondContact O-N 2.75Å; R890-A893 PolarHBondContact O-N 3.31Å; R890-N894 WeakPolarHBondContact O-CB 3.46Å; R890-N894 PolarHBondContact O-N 2.84Å
891T75.2Confident69.7Low60 Ų6070.9 Ų70.937%0.36838%0.381SS..Hα-helixtrans-61.8-40.8179.2-55.70000110.9K887 Q888 K895K887-T891 PolarHBondContact O-N 2.76Å; K887-T891 PolarHBondContact O-OG1 2.91Å; Q888-T891 PolarHBondContact O-N 2.86Å; T891-K895 PolarHBondContact O-N 3.06Å; T891-K895 VanDerWaalsContact O-N 3.13Å
892V67Low68.6Low42 Ų4272.6 Ų72.626%0.25539%0.389SS..Hα-helixtrans-74.9-38.3176.4177.90000111.8N807 V809 Q888 L889 R890 N894 K895 I896N807-V892 HydrophobicContact CB-CG1 4.45Å; V809-V892 HydrophobicContact CB-CG2 4.4Å; V809-V892 HydrophobicContact CG1-CG2 4Å; V809-V892 HydrophobicContact CG2-CB 3.61Å; V809-V892 HydrophobicContact CG2-CG1 3.89Å; V809-V892 HydrophobicContact CG2-CG2 3.46Å; V809-V892 VanDerWaalsContact CG2-CG2 3.46Å; Q888-V892 PolarHBondContact O-N 3.18Å; Q888-V892 VanDerWaalsContact O-N 3.12Å; L889-V892 PolarHBondContact O-N 3.36Å; R890-V892 VanDerWaalsContact C-N 3.29Å; R890-V892 PolarHBondContact O-N 2.75Å; V892-N894 VanDerWaalsContact C-N 3.31Å; V892-N894 PolarHBondContact O-N 3.03Å; V892-K895 PolarHBondContact O-N 3.09Å; V892-I896 HydrophobicContact CG1-CD1 3.79Å; V892-I896 WeakPolarHBondContact O-CD1 3.29Å; V892-I896 VanDerWaalsContact O-CG1 3.28Å; V892-I896 WeakPolarHBondContact O-CG1 3.27Å; V892-I896 PolarHBondContact O-N 3.45Å
893A61.3Low67.4Low29 Ų2976.8 Ų76.824%0.2441%0.411CS..Hα-helixtrans-61-39174.400000112.5L889 R890 I896 I897L889-A893 WeakPolarHBondContact O-CB 3.5Å; L889-A893 PolarHBondContact O-N 2.69Å; R890-A893 PolarHBondContact O-N 3.31Å; A893-I896 PolarHBondContact O-N 3.49Å; A893-I897 WeakPolarHBondContact O-CD1 3.36Å; A893-I897 WeakPolarHBondContact O-CG1 3.34Å; A893-I897 PolarHBondContact O-N 2.93Å
894N53.4Low66.2Low111 Ų11177.5 Ų77.559%0.59441%0.41SS*.Hα-helixtrans-73.1-36.5177.5-72.6-16000112.7R890 V892 I896 I897 S898R890-N894 WeakPolarHBondContact O-CB 3.46Å; R890-N894 PolarHBondContact O-N 2.84Å; V892-N894 VanDerWaalsContact C-N 3.31Å; V892-N894 PolarHBondContact O-N 3.03Å; N894-I896 PolarHBondContact O-N 3.42Å; N894-I897 PolarHBondContact O-N 3.16Å; N894-S898 PolarHBondContact O-N 3.11Å; N894-S898 PolarHBondContact O-OG 3.03Å
895K46.1Very low64.8Low157 Ų15777.4 Ų77.468%0.68341%0.405SS*.Hα-helixtrans-67.2-15.7174.4-82-172.5174.4-170.40114.3T891 V892 S898T891-K895 PolarHBondContact O-N 3.06Å; T891-K895 VanDerWaalsContact O-N 3.13Å; V892-K895 PolarHBondContact O-N 3.09Å; K895-S898 PolarHBondContact O-OG 3.32Å
896I39.1Very low63.1Low103 Ų10383.4 Ų83.453%0.52844%0.436SS..THydrogen-bonded Turntrans-95.7-12.8177.5-64.3167.2000111.3N807 V892 A893 N894N807-I896 WeakPolarHBondContact OD1-CD1 3.39Å; V892-I896 HydrophobicContact CG1-CD1 3.79Å; V892-I896 WeakPolarHBondContact O-CD1 3.29Å; V892-I896 VanDerWaalsContact O-CG1 3.28Å; V892-I896 WeakPolarHBondContact O-CG1 3.27Å; V892-I896 PolarHBondContact O-N 3.45Å; A893-I896 PolarHBondContact O-N 3.49Å; N894-I896 PolarHBondContact O-N 3.42Å
897I39Very low61.3Low108 Ų10888.1 Ų88.155%0.55446%0.461SS*.THydrogen-bonded Turntrans-100.3-18.7178.4-62.7168.9000111.7A893 N894A893-I897 WeakPolarHBondContact O-CD1 3.36Å; A893-I897 WeakPolarHBondContact O-CG1 3.34Å; A893-I897 PolarHBondContact O-N 2.93Å; N894-I897 PolarHBondContact O-N 3.16Å
898S31.4Very low59.4Low144 Ų14482.5 Ų82.5100%1.00744%0.444SS*.  trans-85.80163.463.70000111.2N894 K895N894-S898 PolarHBondContact O-N 3.11Å; N894-S898 PolarHBondContact O-OG 3.03Å; K895-S898 PolarHBondContact O-OG 3.32Å

Retrieved 898 of 898 residues in 224.9 ms (Link to these results)

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